C7H11N3 MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 N 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 M END > ZINC00001585 > <SMILES> CC(C)Nc1ncccn1 $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 S 0 0 0 4.2000 -3.8249 0.0000 O 0 0 0 4.2000 -1.0249 0.0000 O 0 0 0 5.6000 -2.4249 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.7000 -1.2124 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 C 0 0 0 7.7000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 9.8000 -2.4249 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 2 8 10 2 8 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00002105 > <SMILES> c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N $$$$ C14H11O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 10.5000 1.2124 0.0000 O 0 5 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 2 14 16 1 M CHG 1 16 -1 M END > <Title> ZINC00002318 > <SMILES> c1ccc(cc1)c2ccc(cc2)CC(=O)[O-] $$$$ C8H10N2OS MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 S 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 10 12 1 M END > <Title> ZINC00005473 > <SMILES> COc1ccc(cc1)NC(=S)N $$$$ C15H17NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 17 18 1 M END > <Title> ZINC00005608 > <SMILES> CC(=O)NCCc1cccc2c1cc(cc2)OC $$$$ C14H19NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 O 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00012163 > <SMILES> c1ccc(cc1)CCCC(=O)N2CCOCC2 $$$$ C10H13N2O MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 C 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 C 0 0 0 6.7406 -1.6834 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 7 9 1 9 10 2 11 6 1 10 11 1 10 12 1 12 13 1 M CHG 1 13 1 M END > <Title> ZINC00012384 > <SMILES> COc1ccc2c(c1)cc([nH]2)C[NH3+] $$$$ C11H17N2O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 N 0 3 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 8 3 1 7 8 2 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M CHG 1 12 1 M END > <Title> ZINC00012687 > <SMILES> COc1ccccc1N2CC[NH2+]CC2 $$$$ C7H11N3OS2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 S 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 5 1 8 9 1 8 10 1 10 11 1 11 12 2 11 13 1 M END > <Title> ZINC00017834 > <SMILES> CC(C)Sc1nnc(s1)NC(=O)C $$$$ C12H16N3S MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 N 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 7.5668 1.4000 0.0000 C 0 0 0 8.7792 0.7000 0.0000 C 0 0 0 8.7792 -0.7000 0.0000 C 0 0 0 7.5668 -1.4000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 16 8 1 15 16 1 M CHG 1 2 1 M END > <Title> ZINC00022035 > <SMILES> C[NH+]1CCN(CC1)c2nc3ccccc3s2 $$$$ C8H14N3S MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 N 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 9 10 1 10 11 2 12 8 1 11 12 1 M CHG 1 2 1 M END > <Title> ZINC00022036 > <SMILES> C[NH+]1CCN(CC1)c2nccs2 $$$$ C11H14FNO MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 M END > <Title> ZINC00023883 > <SMILES> CC(C)(C)NC(=O)c1ccc(cc1)F $$$$ C11H17NO2S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -4.9000 1.2124 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 C 0 0 0 -2.8000 0.0000 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 S 0 0 0 -1.4000 -1.4000 0.0000 O 0 0 0 -1.4000 1.4000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 4 5 1 3 4 1 3 6 1 6 7 2 6 8 2 6 9 1 9 10 2 10 11 1 11 12 2 14 9 1 13 14 2 12 13 1 12 15 1 M END > <Title> ZINC00028303 > <SMILES> CCN(CC)S(=O)(=O)c1ccc(cc1)C $$$$ C9H12N2O3 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 -0.0000 -7.2746 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 8 3 1 7 8 2 8 9 1 9 10 1 10 11 1 11 12 2 11 13 1 13 14 1 M END > <Title> ZINC00028415 > <SMILES> COc1ccccc1OCC(=O)NN $$$$ C11H17NO2S MOLSOFT 11061513452D 15 15 0 0 1 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 2 -2.1000 1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 S 0 0 0 3.6876 1.9124 0.0000 O 0 0 0 6.1124 0.5124 0.0000 O 0 0 0 5.6000 2.4249 0.0000 C 0 0 0 1 2 1 3 2 1 3 4 1 6 3 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 12 14 2 12 15 1 M END > <Title> ZINC00029515 > <SMILES> CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C $$$$ C11H11N5O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 N 0 0 0 8.4544 0.5124 0.0000 N 0 0 0 7.1229 0.0798 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 2 16 17 1 18 14 1 17 18 2 M END > <Title> ZINC00030082 > <SMILES> CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2 $$$$ C11H20N2O2 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2 1 1 1 2 3 1 3 4 1 4 5 1 5 6 1 2 7 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00030267 > <SMILES> C[C@H]1CCCCN1C(=O)N2CCOCC2 $$$$ C14H20N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 O 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00030382 > <SMILES> CC(C)c1ccc(cc1)NC(=O)N2CCOCC2 $$$$ C15H22N2O MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 1 -1.4000 -2.4249 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 1 2 1 3 2 1 3 4 1 6 3 5 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 12 7 1 11 12 1 10 11 1 10 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00030417 > <SMILES> CC[C@@H](C)C(=O)N1CCN(CC1)c2ccccc2 $$$$ C12H10ClN3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 6.0622 0.0000 Cl 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00030531 > <SMILES> c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl $$$$ C14H15NOS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.2229 3.5575 0.0000 C 0 0 0 10.5544 3.1249 0.0000 C 0 0 0 10.5544 1.7249 0.0000 C 0 0 0 9.2229 1.2922 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 M END > <Title> ZINC00030723 > <SMILES> Cc1ccc(cc1)CNC(=O)Cc2cccs2 $$$$ C14H21NO MOLSOFT 11061513452D 16 16 0 0 1 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 2 -4.2000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 4 3 1 4 5 1 6 4 6 1 6 7 2 6 8 1 8 9 1 9 10 2 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 10 11 1 10 16 1 M END > <Title> ZINC00030738 > <SMILES> CCC[C@H](C)C(=O)Nc1c(cccc1C)C $$$$ C13H18N2O2 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 14 15 1 15 16 2 15 17 1 M END > <Title> ZINC00030858 > <SMILES> CC(C)CC(=O)Nc1ccc(cc1)NC(=O)C $$$$ C13H14N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 O 0 0 0 7.1229 0.0798 0.0000 N 0 0 0 9.5870 2.7353 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 17 13 2 16 17 1 15 16 1 15 18 1 M END > <Title> ZINC00031636 > <SMILES> CCOc1ccc(cc1)C(=O)Nc2cc(on2)C $$$$ C12H11N5O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 6.7326 0.1190 0.0000 N 0 0 0 5.6000 0.9419 0.0000 C 0 0 0 4.4674 0.1190 0.0000 N 0 0 0 7.0000 -2.4249 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 7 9 1 9 10 1 10 11 1 11 12 2 13 14 1 15 11 1 14 15 2 12 13 1 12 16 1 16 17 2 18 10 2 17 18 1 M END > <Title> ZINC00031969 > <SMILES> COc1cccc(c1)Nc2c3c([nH]cn3)ncn2 $$$$ C12H11N5O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 3.9632 4.6777 0.0000 N 0 0 0 2.6843 4.1083 0.0000 C 0 0 0 2.8306 2.7159 0.0000 N 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 2 13 14 1 15 11 1 14 15 2 12 13 1 12 16 1 16 17 2 18 10 2 17 18 1 M END > <Title> ZINC00032156 > <SMILES> COc1ccc(cc1)Nc2c3c([nH]cn3)ncn2 $$$$ C13H16N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 O 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 8 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00032414 > <SMILES> CC(=O)c1cccc(c1)NC(=O)N2CCOCC2 $$$$ C13H12N4 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.3306 2.4914 0.0000 N 0 0 0 5.3710 3.4282 0.0000 C 0 0 0 5.3710 4.8282 0.0000 C 0 0 0 6.5834 5.5282 0.0000 C 0 0 0 7.7958 4.8282 0.0000 C 0 0 0 7.7958 3.4282 0.0000 C 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 4 5 1 4 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 17 9 2 16 17 1 M END > <Title> ZINC00033917 > <SMILES> c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2 $$$$ C7H14N3 MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 N 0 3 0 5.6986 -1.7764 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 7 3 1 6 7 2 6 8 1 8 9 1 9 10 1 M CHG 1 9 1 M END > <Title> ZINC00034155 > <SMILES> CCn1ccc(n1)C[NH2+]C $$$$ C7H14N3 MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.9791 2.7552 0.0000 N 0 3 0 -1.4118 4.0867 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 5 6 1 7 3 1 6 7 2 4 5 2 4 8 1 8 9 1 9 10 1 M CHG 1 9 1 M END > <Title> ZINC00034156 > <SMILES> CCn1c(ccn1)C[NH2+]C $$$$ C12H10NO5 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 1.9388 -3.9949 0.0000 O 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 C 0 0 0 -1.3923 -2.5712 0.0000 C 0 0 0 -2.3291 -1.5308 0.0000 O 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 2.1000 6.0622 0.0000 O 0 5 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 12 7 1 11 12 1 12 13 2 3 4 2 3 14 1 14 15 1 15 16 1 16 17 2 16 18 1 M CHG 1 18 -1 M END > <Title> ZINC00034208 > <SMILES> c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-] $$$$ C12H15F2N2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 8.4000 2.4249 0.0000 F 0 0 0 7.0000 4.8497 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 14 16 1 13 14 2 13 17 1 M CHG 1 2 1 M END > <Title> ZINC00034471 > <SMILES> C[NH+]1CCN(CC1)C(=O)c2ccc(c(c2)F)F $$$$ C13H15F2NO MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 F 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 4.1114 2.3692 0.0000 C 0 0 0 4.5240 3.7070 0.0000 C 0 0 0 5.8272 4.2184 0.0000 C 0 0 0 7.0397 3.5184 0.0000 C 0 0 0 7.2483 2.1341 0.0000 C 0 0 0 6.2961 1.1078 0.0000 C 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 1 2 3 2 6 1 2 5 6 1 5 7 1 4 5 2 4 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 10 1 15 16 1 3 4 1 3 17 1 M END > <Title> ZINC00035195 > <SMILES> c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F $$$$ C14H17NO3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.0961 -3.5327 0.0000 C 0 0 0 3.0483 -4.5590 0.0000 C 0 0 0 2.8397 -5.9433 0.0000 C 0 0 0 1.6272 -6.6433 0.0000 C 0 0 0 0.3240 -6.1318 0.0000 C 0 0 0 -0.0886 -4.7940 0.0000 C 0 0 0 4.1694 0.2911 0.0000 O 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 9 1 14 15 1 4 5 1 4 16 1 16 17 1 18 3 1 17 18 1 M END > <Title> ZINC00035394 > <SMILES> c1cc2c(cc1C(=O)N3CCCCCC3)OCO2 $$$$ C10H8F3NO2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.1124 -2.9373 0.0000 F 0 0 0 3.6876 -4.3373 0.0000 F 0 0 0 5.6000 -4.8497 0.0000 F 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 8 10 1 10 11 1 11 12 2 11 13 1 13 14 1 13 15 1 13 16 1 M END > <Title> ZINC00035855 > <SMILES> CC(=O)c1cccc(c1)NC(=O)C(F)(F)F $$$$ C14H14N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00036068 > <SMILES> COC(=O)Nc1ccc(cc1)Cc2ccncc2 $$$$ C12H11N3O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC00037406 > <SMILES> c1ccc(cc1)NC(=O)Nc2cccnc2 $$$$ C8H7NO2 MOLSOFT 11061513452D 11 12 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 5.7917 -1.4000 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 10 2 1 9 10 1 7 8 2 7 11 1 M END > <Title> ZINC00039661 > <SMILES> Cc1nc2ccc(cc2o1)O $$$$ C8H11N5O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2.5326 2.5439 0.0000 N 0 0 0 1.4000 3.3668 0.0000 C 0 0 0 0.2674 2.5439 0.0000 N 0 0 0 1.4000 4.7668 0.0000 N 0 0 0 2.6124 5.4668 0.0000 C 0 0 0 0.1876 5.4668 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 5 7 1 8 2 1 7 8 1 8 9 2 4 5 1 4 10 1 10 11 1 12 3 1 11 12 2 11 13 1 13 14 1 13 15 1 M END > <Title> ZINC00039724 > <SMILES> Cn1c2c(c(=O)[nH]c1=O)[nH]c(n2)N(C)C $$$$ C10H12N2O3 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 13 15 1 M END > <Title> ZINC00040120 > <SMILES> COc1ccc(cc1)C(=O)NCC(=O)N $$$$ C11H11N3O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 8 3 2 7 8 1 7 9 1 5 6 1 5 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 M END > <Title> ZINC00040343 > <SMILES> COc1cc(nc(n1)N)c2ccccc2 $$$$ C12H12N4O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 N 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 1 2 1 2 3 1 6 2 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 3 4 2 3 16 1 16 17 2 16 18 1 M END > <Title> ZINC00040636 > <SMILES> Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N $$$$ C12H14NOS MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 3 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 3.6879 9.3075 0.0000 O 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 M CHG 1 7 1 M END > <Title> ZINC00040682 > <SMILES> c1cc(sc1)C[NH2+]Cc2ccc(cc2)O $$$$ C14H14N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 6.0622 0.0000 C 0 0 0 10.5000 6.0622 0.0000 C 0 0 0 11.2000 4.8497 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00041395 > <SMILES> c1ccc(cc1)CONC(=O)Nc2ccccc2 $$$$ C13H18NO3 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 4.1694 0.2911 0.0000 O 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 4 5 1 4 15 1 15 16 1 17 3 1 16 17 1 M CHG 1 8 1 M END > <Title> ZINC00042082 > <SMILES> c1cc2c(cc1C[NH+]3CCC(CC3)O)OCO2 $$$$ C13H23N2O MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 2 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 C 0 0 0 0.7000 8.4871 0.0000 O 0 0 0 -1.4000 7.2746 0.0000 N 0 0 0 1 2 1 3 2 1 4 5 1 6 1 1 5 6 2 3 4 1 3 7 1 1 7 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 2 14 16 1 M CHG 1 8 1 M END > <Title> ZINC00042133 > <SMILES> C1C[C@H](CC=C1)C[NH+]2CCC(CC2)C(=O)N $$$$ C14H22NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 1 13 14 1 16 11 1 15 16 1 14 15 1 14 17 1 M CHG 1 11 1 M END > <Title> ZINC00042939 > <SMILES> CCOc1ccc(cc1)C[NH+]2CCC(CC2)O $$$$ C12H22N2O2 MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 1 9.2229 3.5575 0.0000 C 0 0 0 10.5544 3.1249 0.0000 C 0 0 0 10.5544 1.7249 0.0000 C 0 0 0 9.2229 1.2922 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 12 11 1 1 12 13 1 13 14 1 14 15 1 12 16 1 15 16 1 M END > <Title> ZINC00046867 > <SMILES> C1CCC(CC1)NC(=O)NC[C@H]2CCCO2 $$$$ C9H11NO2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 M END > <Title> ZINC00047226 > <SMILES> COCC(=O)Nc1ccccc1 $$$$ C10H11NO3 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 2 11 13 1 13 14 1 M END > <Title> ZINC00049688 > <SMILES> CC(=O)Oc1ccc(cc1)C(=O)NC $$$$ C12H16ClN2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 N 0 3 0 0.7077 6.2085 0.0000 C 0 0 0 0.4166 7.5779 0.0000 C 0 0 0 1.6290 8.2779 0.0000 C 0 0 0 2.6694 7.3411 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 12 1 15 16 1 M CHG 1 12 1 M END > <Title> ZINC00050238 > <SMILES> c1cc(cc(c1)Cl)NC(=O)C[NH+]2CCCC2 $$$$ C13H16N2O3 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 2 5.0229 1.1326 0.0000 C 0 0 0 4.5903 2.4641 0.0000 O 0 0 0 6.3544 0.7000 0.0000 N 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 7.4870 -1.5229 0.0000 O 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 12 9 1 6 12 13 1 13 14 2 13 15 1 15 16 1 16 17 2 12 18 1 16 18 1 M END > <Title> ZINC00050930 > <SMILES> CC(C)COc1ccc(cc1)[C@@H]2C(=O)NC(=O)N2 $$$$ C15H20N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -5.6000 -3.8249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -5.6000 -1.0249 0.0000 C 0 0 0 -7.0000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.5318 -2.5020 0.0000 C 0 0 0 1.5722 -3.4388 0.0000 C 0 0 0 2.9037 -3.0062 0.0000 C 0 0 0 3.1948 -1.6368 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 1 14 10 1 13 14 2 14 15 1 15 16 2 16 17 1 18 13 1 17 18 2 M END > <Title> ZINC00051337 > <SMILES> CC(C)(C)C(=O)NCCc1c[nH]c2c1cccc2 $$$$ C12H12N2O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 N 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 6.0622 0.0000 O 0 0 0 9.1000 3.6373 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 1 13 14 2 13 15 1 16 10 1 15 16 1 16 17 2 M END > <Title> ZINC00051670 > <SMILES> c1ccc(cc1)COCc2c[nH]c(=O)[nH]c2=O $$$$ C10H13NO4S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 S 0 0 0 -3.5000 -2.6124 0.0000 O 0 0 0 -3.5000 0.1876 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 O 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 3 5 2 3 6 1 6 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 12 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00054604 > <SMILES> CCS(=O)(=O)NCc1ccc2c(c1)OCO2 $$$$ C14H14FNO MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 F 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 4 5 1 4 16 1 16 17 1 M END > <Title> ZINC00054712 > <SMILES> c1ccc(c(c1)CNc2ccc(cc2)F)CO $$$$ C9H9N3O3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 N 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 7.6712 6.2068 0.0000 O 0 0 0 6.6849 3.9916 0.0000 N 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 O 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 2 9 10 1 10 11 1 11 12 2 11 13 1 14 8 1 13 14 1 14 15 2 M END > <Title> ZINC00055841 > <SMILES> c1cc(oc1)CNc2c[nH]c(=O)[nH]c2=O $$$$ C8H11N3O3 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 2.4249 0.0000 N 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 O 0 0 0 0.0000 4.8497 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 1 2 2 3 4 2 3 5 1 5 6 1 6 7 2 8 1 1 6 8 1 2 3 1 2 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M END > <Title> ZINC00055860 > <SMILES> c1c(c(=O)[nH]c(=O)[nH]1)N2CCOCC2 $$$$ C12H9O5 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 O 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 4.9000 3.6373 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 1 8 9 1 9 10 2 9 11 1 12 6 2 11 12 1 13 3 2 12 13 1 7 8 2 7 14 1 14 15 1 15 16 2 15 17 1 M CHG 1 17 -1 M END > <Title> ZINC00056577 > <SMILES> COc1ccc2c(cc(=O)oc2c1)CC(=O)[O-] $$$$ C13H19N2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 3 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.5318 -2.5020 0.0000 C 0 0 0 1.5722 -3.4388 0.0000 C 0 0 0 2.9037 -3.0062 0.0000 C 0 0 0 3.1948 -1.6368 0.0000 C 0 0 0 1.2811 -4.8082 0.0000 O 0 0 0 2.3216 -5.7450 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 1 10 6 1 9 10 2 10 11 1 11 12 2 14 9 1 13 14 2 12 13 1 12 15 1 15 16 1 M CHG 1 2 1 M END > <Title> ZINC00057152 > <SMILES> C[NH+](C)CCc1c[nH]c2c1cc(cc2)OC $$$$ C12H17N2O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.5318 -2.5020 0.0000 C 0 0 0 1.5722 -3.4388 0.0000 C 0 0 0 2.9037 -3.0062 0.0000 C 0 0 0 3.1948 -1.6368 0.0000 C 0 0 0 1.2811 -4.8082 0.0000 O 0 0 0 2.3216 -5.7450 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 7 8 1 9 5 1 8 9 2 9 10 1 10 11 2 13 8 1 12 13 2 11 12 1 11 14 1 14 15 1 M CHG 1 2 1 M END > <Title> ZINC00057161 > <SMILES> C[NH+](C)Cc1c[nH]c2c1cc(cc2)OC $$$$ C11H11N3OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 S 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 -1.5229 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 2 12 13 1 13 14 1 15 11 1 14 15 2 14 16 1 M END > <Title> ZINC00058195 > <SMILES> CC(=O)Nc1ccc(cc1)c2csc(n2)N $$$$ C13H21N2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 1 9 4 1 8 9 1 7 8 1 7 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M CHG 1 4 1 M END > <Title> ZINC00058265 > <SMILES> CC(C)[NH+]1CCN(CC1)c2ccc(cc2)O $$$$ C13H18N2O2 MOLSOFT 11061513452D 17 17 0 0 1 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 2 -4.2000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 3 2 1 3 4 1 6 3 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 14 15 1 15 16 2 15 17 1 M END > <Title> ZINC00060674 > <SMILES> CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)C $$$$ C11H12N2O2 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.8000 2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 3 M END > <Title> ZINC00060967 > <SMILES> COc1ccc(cc1)CNC(=O)CC#N $$$$ C14H18FNO MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 3 4 2 3 17 1 M END > <Title> ZINC00064677 > <SMILES> c1cc(ccc1CC(=O)NC2CCCCC2)F $$$$ C9H8N2O2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.7000 -3.6373 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 3 4 5 1 4 13 1 M END > <Title> ZINC00064809 > <SMILES> c1ccc(c(c1)NC(=O)CC#N)O $$$$ C7H16NO MOLSOFT 11061513452D 9 9 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -1.4000 1.4000 0.0000 C 0 0 0 -2.8000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 N 0 3 0 0.9899 0.9899 0.0000 C 0 0 0 1.9799 0.0000 0.0000 C 0 0 0 0.9899 -0.9899 0.0000 C 0 0 0 3.3799 0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 1 8 5 1 7 8 1 7 9 1 M CHG 1 5 1 M END > <Title> ZINC00065001 > <SMILES> CC(C)(C)[NH+]1CC(C1)O $$$$ C12H10ClN3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 Cl 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.0423 3.7956 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 6 7 2 8 4 1 7 8 1 7 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 5 6 1 5 16 1 16 17 3 M END > <Title> ZINC00065818 > <SMILES> CN(C)c1c(nc(o1)c2ccc(cc2)Cl)C#N $$$$ C13H13N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 N 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00067722 > <SMILES> COc1ccc(cc1)NC(=O)Nc2ccncc2 $$$$ C10H20N2O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -6.3000 -1.2124 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M END > <Title> ZINC00068080 > <SMILES> CC(C)CCNC(=O)N1CCOCC1 $$$$ C12H15F3N2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 1.2124 -3.1249 0.0000 F 0 0 0 -1.2124 -1.7249 0.0000 F 0 0 0 -0.7000 -3.6373 0.0000 F 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 2 6 1 2 5 6 1 6 7 1 7 8 1 7 9 1 7 10 1 4 5 2 4 11 1 3 4 1 3 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00068231 > <SMILES> c1cc(c(cc1C(F)(F)F)N)N2CCCCC2 $$$$ C14H12FNO2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 F 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 6.2694 6.3533 0.0000 O 0 0 0 6.4157 7.7456 0.0000 C 0 0 0 5.1368 8.3150 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 14 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00068281 > <SMILES> c1cc(cc(c1)F)NCc2ccc3c(c2)OCO3 $$$$ C7H10N2OS MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 10 6 1 9 10 1 8 9 2 8 11 1 M END > <Title> ZINC00069044 > <SMILES> CCC(=O)Nc1nc(cs1)C $$$$ C7H8FN3S MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 S 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 2 9 11 1 3 4 2 3 12 1 M END > <Title> ZINC00069512 > <SMILES> c1cc(ccc1NNC(=S)N)F $$$$ C9H13N3S MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 S 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 8 3 1 7 8 2 8 9 1 9 10 1 10 11 1 11 12 2 11 13 1 M END > <Title> ZINC00069531 > <SMILES> CCc1ccccc1NNC(=S)N $$$$ C8H5F3N4S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7077 3.7836 0.0000 N 0 0 0 0.4166 5.1531 0.0000 N 0 0 0 1.6290 5.8531 0.0000 C 0 0 0 2.6694 4.9163 0.0000 S 0 0 0 1.7754 7.2454 0.0000 C 0 0 0 0.3830 7.3917 0.0000 F 0 0 0 3.1677 7.0990 0.0000 F 0 0 0 1.9217 8.6377 0.0000 F 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 3 4 1 3 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 8 1 11 12 1 11 13 1 13 14 1 13 15 1 13 16 1 M END > <Title> ZINC00074321 > <SMILES> c1cc(cnc1)Nc2nnc(s2)C(F)(F)F $$$$ C14H16NO MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 1 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 9 6 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 9 10 1 9 16 1 1 M CHG 1 16 1 M END > <Title> ZINC00074809 > <SMILES> COc1ccc(cc1)[C@@H](c2ccccc2)[NH3+] $$$$ C10H16NO MOLSOFT 11061513452D 12 12 0 0 1 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 2 -1.4000 0.0000 0.0000 C 0 0 2 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 3 0 -4.2000 -2.4249 0.0000 C 0 0 0 2 1 1 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 3 4 1 3 10 1 1 2 3 1 2 11 1 11 12 1 M CHG 1 11 1 M END > <Title> ZINC00074840 > <SMILES> C[C@H]([C@H](c1ccccc1)O)[NH2+]C $$$$ C12H13N3O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 -0.4750 -5.1271 0.0000 C 0 0 0 -1.4118 -4.0867 0.0000 C 0 0 0 -0.9791 -2.7552 0.0000 C 0 0 0 3.2870 1.5229 0.0000 N 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 O 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 4 5 2 4 13 1 13 14 1 14 15 2 14 16 1 16 17 1 M END > <Title> ZINC00075632 > <SMILES> Cc1cc(nn1c2ccccc2)NC(=O)OC $$$$ C14H13NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 2 15 17 1 M END > <Title> ZINC00076220 > <SMILES> c1ccc(cc1)COc2ccc(cc2)C(=O)N $$$$ C12H13FN2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.5318 -2.5020 0.0000 C 0 0 0 1.5722 -3.4388 0.0000 C 0 0 0 2.9037 -3.0062 0.0000 C 0 0 0 3.1948 -1.6368 0.0000 C 0 0 0 1.2811 -4.8082 0.0000 F 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 1 11 7 1 10 11 2 11 12 1 12 13 2 15 10 1 14 15 2 13 14 1 13 16 1 M END > <Title> ZINC00077351 > <SMILES> CC(=O)NCCc1c[nH]c2c1cc(cc2)F $$$$ C9H10F3N3O MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 1.2124 -3.1249 0.0000 F 0 0 0 -1.2124 -1.7249 0.0000 F 0 0 0 -0.7000 -3.6373 0.0000 F 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 2 12 13 1 13 14 1 13 15 1 13 16 1 M END > <Title> ZINC00077366 > <SMILES> CN(C)C(=O)Nc1cnccc1C(F)(F)F $$$$ C8H8F3N3O2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1.5876 3.1249 0.0000 F 0 0 0 4.0124 1.7249 0.0000 F 0 0 0 3.5000 3.6373 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 1 8 9 2 10 11 2 12 7 2 11 12 1 9 10 1 9 13 1 13 14 1 13 15 1 13 16 1 M END > <Title> ZINC00078068 > <SMILES> COC(=O)NNc1cc(ccn1)C(F)(F)F $$$$ C12H12N2O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 N 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 S 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 6.2459 8.1686 0.0000 C 0 0 0 7.5248 7.5992 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00081358 > <SMILES> Cc1cc(no1)NC(=O)CSc2ccccc2 $$$$ C10H11NO3S MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.9159 1.7148 0.0000 O 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.4522 5.0234 0.0000 C 0 0 0 -1.1207 5.4561 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 2 7 8 2 9 5 1 8 9 1 6 7 1 6 10 1 10 11 1 11 12 2 11 13 1 13 14 1 15 13 1 14 15 1 M END > <Title> ZINC00082712 > <SMILES> COC(=O)c1c(ccs1)NC(=O)C2CC2 $$$$ C11H7FN2S MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 C 0 0 0 -1.3923 -2.5712 0.0000 S 0 0 0 -2.9624 -4.5100 0.0000 C 0 0 0 -4.2413 -5.0795 0.0000 N 0 0 0 -0.3246 -6.0329 0.0000 N 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 2 8 9 1 11 7 1 10 11 1 10 12 1 12 13 3 9 10 2 9 14 1 3 4 1 3 15 1 M END > <Title> ZINC00082774 > <SMILES> c1cc(ccc1c2cc(c(s2)C#N)N)F $$$$ C8H10N2O2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 M END > <Title> ZINC00084002 > <SMILES> c1ccc(cc1)CONC(=O)N $$$$ C15H18N2O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 N 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 C 0 0 0 4.7318 -2.5020 0.0000 C 0 0 0 5.7722 -3.4388 0.0000 C 0 0 0 7.1037 -3.0062 0.0000 C 0 0 0 7.3948 -1.6368 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 9 4 1 8 9 1 7 8 1 7 10 1 10 11 2 11 12 1 12 13 1 14 10 1 13 14 2 14 15 1 15 16 2 16 17 1 18 13 1 17 18 2 M END > <Title> ZINC00084031 > <SMILES> CC(=O)N1CCC(CC1)c2c[nH]c3c2cccc3 $$$$ C12H13N3O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 4 5 1 4 16 1 M END > <Title> ZINC00084757 > <SMILES> Cc1cc(nc(n1)Nc2cccc(c2)O)C $$$$ C12H14N2O3 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 1 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 C 0 0 0 4.5903 -2.4641 0.0000 O 0 0 0 7.4870 1.5229 0.0000 C 0 0 0 8.7660 0.9535 0.0000 O 0 0 0 7.3407 2.9152 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 6 7 1 6 9 1 9 10 1 11 10 1 13 9 1 12 13 1 13 14 2 11 12 1 11 15 1 6 15 16 2 15 17 1 M END > <Title> ZINC00088691 > <SMILES> COc1ccc(cc1)N2C[C@@H](CC2=O)C(=O)N $$$$ C9H8FN3S MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 C 0 0 0 5.9913 1.0083 0.0000 C 0 0 0 7.1239 0.1854 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 F 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 2 1 5 6 1 5 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 12 14 1 M END > <Title> ZINC00088862 > <SMILES> Cc1nnc(s1)Nc2cccc(c2)F $$$$ C12H15N2O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 3 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.3903 2.4641 0.0000 O 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 1 7 8 2 7 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 15 6 1 14 15 1 15 16 2 M CHG 1 2 1 M END > <Title> ZINC00090757 > <SMILES> C[NH+](C)CCN1C(=O)c2ccccc2C1=O $$$$ C14H13NO2 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -2.0195 1.8184 0.0000 C 0 0 0 -3.2320 2.5184 0.0000 C 0 0 0 -2.9409 3.8878 0.0000 C 0 0 0 -1.5486 4.0341 0.0000 C 0 0 0 -0.9791 5.3131 0.0000 C 0 0 0 -1.8020 6.4457 0.0000 C 0 0 0 -3.1944 6.2994 0.0000 C 0 0 0 -3.7638 5.0204 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 2 1 5 6 1 3 4 1 3 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 13 9 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00090853 > <SMILES> Cc1c(cco1)C(=O)N2CCc3c2cccc3 $$$$ C11H9ClN2O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 C 0 0 0 -1.3923 -2.5712 0.0000 O 0 0 0 -2.9624 -4.5100 0.0000 C 0 0 0 -4.0950 -3.6871 0.0000 O 0 0 0 -3.1087 -5.9024 0.0000 N 0 0 0 -4.3877 -6.4718 0.0000 N 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 2 12 14 1 14 15 1 3 4 2 3 16 1 M END > <Title> ZINC00091379 > <SMILES> c1cc(ccc1c2ccc(o2)C(=O)NN)Cl $$$$ C9H7ClN2O MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 1.4000 -7.2746 0.0000 N 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 3 3 4 2 3 13 1 M END > <Title> ZINC00091625 > <SMILES> c1cc(ccc1NC(=O)CC#N)Cl $$$$ C9H14N2O MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 7.7000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 3 M END > <Title> ZINC00091989 > <SMILES> C1CCC(CC1)NC(=O)CC#N $$$$ C10H10NO4 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 5 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 1 13 14 2 13 15 1 M CHG 1 15 -1 M END > <Title> ZINC00093096 > <SMILES> CC(=O)Nc1ccc(cc1)OCC(=O)[O-] $$$$ C9H13NO2S MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -5.4124 -1.7249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 S 0 0 0 -2.9876 -3.1249 0.0000 O 0 0 0 -4.9000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 2 2 5 1 5 6 1 6 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 M END > <Title> ZINC00093607 > <SMILES> CS(=O)(=O)NCCc1ccccc1 $$$$ C8H9N3S MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.6185 -1.0903 0.0000 C 0 0 0 5.4414 -2.2229 0.0000 C 0 0 0 4.6185 -3.3555 0.0000 C 0 0 0 3.2870 -2.9229 0.0000 S 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 1 2 1 2 3 1 4 5 1 6 2 1 5 6 2 5 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 3 4 2 3 12 1 M END > <Title> ZINC00094695 > <SMILES> Cn1c(cc(n1)c2cccs2)N $$$$ C13H14N4O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 N 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 N 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 2.1000 -8.4870 0.0000 N 0 0 0 2.8000 -9.6995 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 12 14 1 14 15 1 15 16 2 15 17 1 17 18 1 M END > <Title> ZINC00096471 > <SMILES> Cc1nccc(n1)c2cccc(c2)NC(=O)NC $$$$ C13H20N2O2 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 5.7876 3.1249 0.0000 C 0 0 0 8.2124 1.7249 0.0000 C 0 0 0 7.7000 3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 14 16 1 14 17 1 M END > <Title> ZINC00098725 > <SMILES> CCOc1ccc(cc1)NC(=O)NC(C)(C)C $$$$ C14H21NO2 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -1.4000 1.4000 0.0000 C 0 0 0 -2.8000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 1 13 14 2 13 15 1 15 16 1 15 17 1 M END > <Title> ZINC00101125 > <SMILES> CC(C)(C)c1ccc(cc1)OCC(=O)N(C)C $$$$ C16H17NO MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 6.0622 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC00101545 > <SMILES> Cc1ccc(cc1)CNC(=O)c2ccc(cc2)C $$$$ C15H12N2O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 4.3306 2.4914 0.0000 C 0 0 0 5.3710 3.4282 0.0000 N 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 C 0 0 0 7.3327 0.4220 0.0000 C 0 0 0 8.6642 0.8546 0.0000 C 0 0 0 8.9553 2.2240 0.0000 C 0 0 0 7.9149 3.1608 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 14 10 1 13 14 2 14 15 1 15 16 2 16 17 1 18 13 1 17 18 2 M END > <Title> ZINC00101547 > <SMILES> Cc1ccc(cc1)C(=O)n2cnc3c2cccc3 $$$$ C8H7F3N2OS MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 S 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 3.3124 4.3373 0.0000 F 0 0 0 0.8876 2.9373 0.0000 F 0 0 0 1.4000 4.8497 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 3 4 2 3 11 1 11 12 1 12 13 1 12 14 1 12 15 1 M END > <Title> ZINC00102761 > <SMILES> c1cc(ccc1NC(=S)N)OC(F)(F)F $$$$ C8H7F3N2OS MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 S 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 3.6876 1.9124 0.0000 F 0 0 0 6.1124 0.5124 0.0000 F 0 0 0 5.6000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 2 8 10 1 4 5 1 4 11 1 11 12 1 12 13 1 12 14 1 12 15 1 M END > <Title> ZINC00102765 > <SMILES> c1ccc(c(c1)NC(=S)N)OC(F)(F)F $$$$ C14H21N3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 O 0 0 0 -0.0000 -7.2746 0.0000 N 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 C 0 0 0 2.8000 -9.6995 0.0000 C 0 0 0 2.1000 -10.9119 0.0000 C 0 0 0 0.7000 -10.9119 0.0000 C 0 0 0 -0.0000 -9.6995 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00104417 > <SMILES> c1cnccc1CCNC(=O)NC2CCCCC2 $$$$ C8H9NO4S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.2000 1.4000 0.0000 O 0 0 0 4.2000 -1.4000 0.0000 O 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 2 11 13 2 11 14 1 M END > <Title> ZINC00106888 > <SMILES> COC(=O)c1ccc(cc1)S(=O)(=O)N $$$$ C12H13N3O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 2 11 13 1 13 14 2 13 15 1 17 10 1 16 17 2 15 16 1 15 18 1 M END > <Title> ZINC00106897 > <SMILES> CCOC(=O)Nc1ccc2c(c1)c(=O)n(cn2)C $$$$ C9H8N2O MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 M END > <Title> ZINC00107742 > <SMILES> Cc1nc(no1)c2ccccc2 $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 N 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 N 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 2 8 9 2 10 6 1 9 10 1 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 7 8 1 7 17 1 M END > <Title> ZINC00109117 > <SMILES> CCOC(=O)c1c(nc(s1)c2cnccn2)C $$$$ C7H11ClN3OS MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 3 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.0923 -3.7836 0.0000 C 0 0 0 2.3834 -5.1531 0.0000 S 0 0 0 1.1710 -5.8531 0.0000 N 0 0 0 0.1306 -4.9163 0.0000 N 0 0 0 3.0291 -2.7432 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 6 1 1 5 6 1 6 7 1 7 8 1 8 9 2 10 11 1 12 8 1 11 12 2 9 10 1 9 13 1 M CHG 1 6 1 M END > <Title> ZINC00109185 > <SMILES> C1COCC[NH+]1Cc2c(snn2)Cl $$$$ C13H18NO2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 N 0 3 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M CHG 1 14 1 M END > <Title> ZINC00109796 > <SMILES> COc1ccc(cc1)C(=O)C2CC[NH2+]CC2 $$$$ C14H12N2O MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.1229 -0.0798 0.0000 C 0 0 0 8.4544 -0.5124 0.0000 C 0 0 0 8.4544 -1.9124 0.0000 N 0 0 0 7.1229 -2.3451 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 1 7 8 2 9 10 2 11 6 2 10 11 1 12 3 2 11 12 1 8 9 1 8 13 1 13 14 1 14 15 2 15 16 1 17 13 2 16 17 1 M END > <Title> ZINC00110340 > <SMILES> COc1ccc2cc(ccc2c1)c3cc[nH]n3 $$$$ C11H10F3N3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.1099 -0.3903 0.0000 F 0 0 0 2.4641 -2.6555 0.0000 F 0 0 0 4.4196 -2.3458 0.0000 F 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 1 2 1 2 3 1 6 2 1 5 6 2 5 7 1 7 8 1 7 9 1 7 10 1 4 5 1 4 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 3 4 2 3 17 1 M END > <Title> ZINC00110577 > <SMILES> Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N $$$$ C13H17FNO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 15 17 1 M CHG 1 2 1 M END > <Title> ZINC00110644 > <SMILES> C[NH+]1CCC(CC1)OC(=O)c2cccc(c2)F $$$$ C11H9N3O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.1923 -2.5712 0.0000 N 0 0 0 4.4834 -3.9406 0.0000 C 0 0 0 3.2710 -4.6406 0.0000 C 0 0 0 2.2306 -3.7038 0.0000 O 0 0 0 3.1246 -6.0329 0.0000 N 0 0 0 5.7624 -4.5100 0.0000 C 0 0 0 7.0413 -5.0795 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 7 9 1 9 10 2 10 11 1 13 9 1 12 13 1 12 14 1 11 12 2 11 15 1 15 16 3 M END > <Title> ZINC00111763 > <SMILES> COc1cccc(c1)c2nc(c(o2)N)C#N $$$$ C10H13NO3 MOLSOFT 11061513452D 14 14 0 0 1 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 2 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 5 0 2.1000 -3.6373 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 9 7 1 10 11 1 11 12 2 11 13 1 9 10 1 9 14 1 6 M CHG 2 13 -1 14 1 M END > <Title> ZINC00112489 > <SMILES> COc1cccc(c1)[C@H](CC(=O)[O-])[NH3+] $$$$ C13H18N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 N 0 3 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -0.7000 -8.4870 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 8 3 1 7 8 2 8 9 1 9 10 1 10 11 1 11 12 1 14 9 1 13 14 1 12 13 1 12 15 1 15 16 1 16 17 3 M CHG 1 12 1 M END > <Title> ZINC00112775 > <SMILES> COc1ccccc1N2CC[NH+](CC2)CC#N $$$$ C12H15ClN3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 3 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 3.5000 8.4870 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 1 15 16 3 M CHG 1 11 1 M END > <Title> ZINC00112962 > <SMILES> c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N $$$$ C11H13N3O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.9412 2.8967 0.0000 C 0 0 0 -0.9412 4.2967 0.0000 C 0 0 0 0.3903 4.7294 0.0000 N 0 0 0 1.2132 3.5967 0.0000 N 0 0 0 1 2 1 2 3 2 6 2 1 5 6 1 5 7 1 4 5 2 4 8 1 8 9 2 8 10 1 10 11 1 3 4 1 3 12 1 12 13 1 13 14 2 14 15 1 16 12 2 15 16 1 M END > <Title> ZINC00113424 > <SMILES> Cc1c(c(c([nH]1)C)C(=O)OC)c2cc[nH]n2 $$$$ C12H17N5O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 2.4249 0.0000 N 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 C 0 0 0 -4.2000 2.4249 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -5.6000 2.4249 0.0000 N 0 0 0 -6.3000 3.6373 0.0000 C 0 0 0 -6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 1 5 6 2 5 7 1 8 2 1 7 8 1 3 4 1 3 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 16 17 1 16 18 1 M END > <Title> ZINC00114345 > <SMILES> Cc1c(nc(=O)[nH]n1)Nc2ccc(cc2)N(C)C $$$$ C13H18N4O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 2.4249 0.0000 N 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 C 0 0 0 -4.2000 2.4249 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 0.0000 4.8497 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 1 5 6 2 5 7 1 8 2 1 7 8 1 3 4 1 3 9 1 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 16 17 1 16 18 1 M END > <Title> ZINC00114358 > <SMILES> Cc1c(nc(=O)[nH]n1)Nc2ccccc2C(C)C $$$$ C13H18N4O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 2.4249 0.0000 N 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 C 0 0 0 -4.2000 2.4249 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -5.6000 2.4249 0.0000 C 0 0 0 -6.3000 3.6373 0.0000 C 0 0 0 -6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 1 5 6 2 5 7 1 8 2 1 7 8 1 3 4 1 3 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 16 17 1 16 18 1 M END > <Title> ZINC00114363 > <SMILES> Cc1c(nc(=O)[nH]n1)Nc2ccc(cc2)C(C)C $$$$ C10H12N4O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 2.4249 0.0000 N 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 C 0 0 0 -4.2000 2.4249 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 1 5 6 2 5 7 1 8 2 1 7 8 1 3 4 1 3 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 14 16 1 M END > <Title> ZINC00114402 > <SMILES> Cc1c(nc(=O)[nH]n1)Nc2cccc(c2)O $$$$ C10H9O4 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 5 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 2 12 14 1 M CHG 1 14 -1 M END > <Title> ZINC00115002 > <SMILES> CC(=O)c1ccc(cc1)OCC(=O)[O-] $$$$ C11H12N4OS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 4 1 7 8 1 7 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00115413 > <SMILES> CCCc1nnc(s1)NC(=O)c2ccccn2 $$$$ C10H17N2O3S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 S 0 0 0 -1.4000 1.4000 0.0000 O 0 0 0 -2.8000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 3 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.3306 2.4914 0.0000 C 0 0 0 5.3710 3.4282 0.0000 C 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 O 0 0 0 1 2 1 2 3 2 2 4 2 2 5 1 5 6 1 6 7 1 7 8 1 10 5 1 9 10 1 8 9 1 8 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M CHG 1 8 1 M END > <Title> ZINC00115751 > <SMILES> CS(=O)(=O)N1CC[NH+](CC1)Cc2ccco2 $$$$ C13H18N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 3 0 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 7 9 1 4 5 1 4 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 14 1 17 18 1 M CHG 1 14 1 M END > <Title> ZINC00115866 > <SMILES> c1ccc(c(c1)C(=O)N)NC(=O)C[NH+]2CCCC2 $$$$ C10H9NO2S2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.6185 -1.0903 0.0000 C 0 0 0 5.4414 -2.2229 0.0000 C 0 0 0 4.6185 -3.3555 0.0000 C 0 0 0 3.2870 -2.9229 0.0000 S 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 2 7 8 2 9 5 1 8 9 1 8 10 1 10 11 2 11 12 1 12 13 2 14 10 1 13 14 1 6 7 1 6 15 1 M END > <Title> ZINC00116168 > <SMILES> COC(=O)c1c(cc(s1)c2cccs2)N $$$$ C10H8ClN3 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 N 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.1000 -3.6373 0.0000 N 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 2 12 13 1 3 4 2 3 14 1 M END > <Title> ZINC00117248 > <SMILES> c1cc(ccc1c2cncnc2N)Cl $$$$ C10H14F3N3O MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -5.4124 -1.7249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.9876 -3.1249 0.0000 C 0 0 0 -4.9000 -3.6373 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.1099 -0.3903 0.0000 F 0 0 0 2.4641 -2.6555 0.0000 F 0 0 0 4.4196 -2.3458 0.0000 F 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 2 11 12 1 13 9 1 12 13 2 12 14 1 14 15 1 14 16 1 14 17 1 M END > <Title> ZINC00117301 > <SMILES> CC(C)(C)NC(=O)Cn1ccc(n1)C(F)(F)F $$$$ C9H6N6 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 N 0 0 0 7.0000 -2.4249 0.0000 N 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.8000 0.0000 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 11 13 1 10 11 2 10 14 1 14 15 3 M END > <Title> ZINC00117896 > <SMILES> c1cnc(cn1)c2ncc(c(n2)N)C#N $$$$ C13H10F2N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 2.8000 -9.6995 0.0000 F 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 3 4 2 3 18 1 M END > <Title> ZINC00118151 > <SMILES> c1cc(ccc1NC(=O)Nc2ccc(cc2)F)F $$$$ C14H21N2O2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 1 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 3 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 7 4 1 8 9 1 9 10 1 10 11 1 11 12 1 14 9 1 13 14 1 12 13 1 12 15 1 15 16 2 15 17 1 7 8 1 7 18 1 1 M CHG 1 9 1 M END > <Title> ZINC00118354 > <SMILES> c1ccc(cc1)[C@@H](C[NH+]2CCC(CC2)C(=O)N)O $$$$ C13H13NO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 M END > <Title> ZINC00119243 > <SMILES> c1ccc(cc1)COc2cccc(c2)N $$$$ C11H15N2 MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 C 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 C 0 0 0 6.7406 -1.6834 0.0000 C 0 0 0 7.9531 -2.3834 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 2 10 5 1 9 10 1 9 11 1 11 12 1 12 13 1 M CHG 1 13 1 M END > <Title> ZINC00119433 > <SMILES> Cc1ccc2c(c1)cc([nH]2)CC[NH3+] $$$$ C13H11N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 N 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 7 9 1 4 5 1 4 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00119496 > <SMILES> c1ccc(c(c1)C(=O)N)NC(=O)c2ccncc2 $$$$ C12H19N2O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 N 0 3 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 7 8 1 9 4 1 8 9 2 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M CHG 1 13 1 M END > <Title> ZINC00120262 > <SMILES> CCOc1ccccc1N2CC[NH2+]CC2 $$$$ C13H14N2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 7 1 8 3 1 7 8 2 8 9 1 5 6 2 5 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC00120608 > <SMILES> COc1cc(ccc1N)Nc2ccccc2 $$$$ C10H20N4O2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 2 12 14 1 14 15 1 14 16 1 M END > <Title> ZINC00122543 > <SMILES> CN(C)C(=O)N1CCN(CC1)C(=O)N(C)C $$$$ C12H9N3O2 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.2870 2.9229 0.0000 N 0 0 0 4.6185 3.3555 0.0000 C 0 0 0 5.4414 2.2229 0.0000 O 0 0 0 4.6185 1.0903 0.0000 N 0 0 0 5.0511 4.6870 0.0000 C 0 0 0 4.1143 5.7274 0.0000 C 0 0 0 4.5469 7.0589 0.0000 C 0 0 0 5.9164 7.3500 0.0000 C 0 0 0 6.8531 6.3096 0.0000 C 0 0 0 6.4205 4.9781 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 1 8 9 2 11 7 2 10 11 1 9 10 1 9 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00123457 > <SMILES> Cc1cc(no1)c2nc(on2)c3ccccc3 $$$$ C11H9NO2S MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 2 6 7 1 7 8 2 9 5 1 8 9 1 8 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 M END > <Title> ZINC00125314 > <SMILES> COC(=O)c1ccc(s1)c2ccccn2 $$$$ C13H16N2O3 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -1.0404 0.9368 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0.8229 1.1326 0.0000 C 0 0 0 0.3903 2.4641 0.0000 O 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 -1.0404 -0.9368 0.0000 C 0 0 0 -0.7493 -2.3062 0.0000 C 0 0 0 -1.7897 -3.2430 0.0000 C 0 0 0 -1.4987 -4.6124 0.0000 C 0 0 0 -2.5391 -5.5492 0.0000 C 0 0 0 -3.8705 -5.1165 0.0000 C 0 0 0 -4.1616 -3.7471 0.0000 C 0 0 0 -3.1212 -2.8103 0.0000 C 0 0 0 -4.9109 -6.0533 0.0000 O 0 0 0 -4.6199 -7.4227 0.0000 C 0 0 0 2 1 1 1 3 4 2 3 5 1 5 6 1 6 7 2 2 8 1 6 8 1 2 3 1 2 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 17 18 1 M END > <Title> ZINC00125701 > <SMILES> C[C@]1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC $$$$ C12H11N3O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 7 9 1 9 10 1 4 5 1 4 11 1 11 12 1 12 13 2 12 14 1 14 15 2 15 16 1 16 17 2 18 14 1 17 18 1 M END > <Title> ZINC00127508 > <SMILES> c1ccc(c(c1)C(=O)NN)NC(=O)c2ccco2 $$$$ C13H10NO3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 O 0 5 0 2.8000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 N 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 7 9 1 3 4 2 3 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M CHG 1 9 -1 M END > <Title> ZINC00127654 > <SMILES> c1cc(ccc1C(=O)[O-])Oc2ccc(cc2)N $$$$ C9H8N2O MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 3 M END > <Title> ZINC00127805 > <SMILES> CC(=O)Nc1ccc(cc1)C#N $$$$ C11H12N2OS MOLSOFT 11061513452D 15 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 S 0 0 0 5.5282 -2.3834 0.0000 N 0 0 0 6.7406 -1.6834 0.0000 C 0 0 0 7.9531 -2.3834 0.0000 C 0 0 0 7.9531 -3.7834 0.0000 O 0 0 0 6.7406 -4.4834 0.0000 C 0 0 0 5.5282 -3.7834 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 9 4 1 8 9 1 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00127975 > <SMILES> c1ccc2c(c1)nc(s2)N3CCOCC3 $$$$ C14H12FNO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 11.2000 0.0000 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 16 18 1 M END > <Title> ZINC00128333 > <SMILES> c1ccc(cc1)OCC(=O)Nc2cccc(c2)F $$$$ C8H10N2O4 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.8480 5.6999 0.0000 O 0 0 0 5.2596 5.9534 0.0000 O 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 11 13 1 13 14 1 M END > <Title> ZINC00128548 > <SMILES> Cc1cc(no1)C(=O)NCC(=O)OC $$$$ C15H15NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 0.0000 -9.6995 0.0000 C 0 0 0 -1.4000 -9.6995 0.0000 C 0 0 0 -2.1000 -8.4870 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 7 2 1 6 7 2 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00130112 > <SMILES> Cc1ccccc1OCC(=O)Nc2ccccc2 $$$$ C14H21N2O2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 1 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 3 0 7.0000 2.4249 0.0000 C 0 0 2 6.2114 3.5816 0.0000 C 0 0 0 6.6240 4.9194 0.0000 C 0 0 0 7.9272 5.4309 0.0000 C 0 0 0 9.1397 4.7309 0.0000 C 0 0 0 9.3483 3.3465 0.0000 N 0 0 0 8.3961 2.3202 0.0000 C 0 0 0 8.9076 1.0170 0.0000 O 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 7 4 1 8 9 1 10 9 1 6 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 10 16 1 15 16 1 16 17 2 7 8 1 7 18 1 1 M CHG 1 9 1 M END > <Title> ZINC00130404 > <SMILES> c1ccc(cc1)[C@@H](C[NH2+][C@@H]2CCCCNC2=O)O $$$$ C16H18NO MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.5377 2.5647 0.0000 C 0 0 0 5.8899 2.9271 0.0000 C 0 0 0 6.2523 1.5748 0.0000 C 0 0 0 6.5900 4.1395 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 7 8 1 7 14 1 14 15 1 15 16 1 17 14 1 16 17 1 16 18 1 M CHG 1 14 1 M END > <Title> ZINC00133425 > <SMILES> c1ccc(cc1)C(c2ccccc2)[NH+]3CC(C3)O $$$$ C15H10O3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.2674 -2.5439 0.0000 C 0 0 0 -1.0116 -3.1133 0.0000 C 0 0 0 -1.1579 -4.5057 0.0000 C 0 0 0 -0.0253 -5.3286 0.0000 C 0 0 0 1.2537 -4.7591 0.0000 C 0 0 0 1.4000 -3.3668 0.0000 C 0 0 0 2.5326 -2.5439 0.0000 C 0 0 0 3.8641 -2.9765 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 17 9 1 16 17 1 17 18 2 M END > <Title> ZINC00133561 > <SMILES> COC(=O)c1cccc2c1-c3ccccc3C2=O $$$$ C14H12N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 16 17 2 16 18 1 M END > <Title> ZINC00134027 > <SMILES> c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N $$$$ C13H14N2OS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 5.0229 -1.2922 0.0000 C 0 0 0 6.3544 -1.7249 0.0000 N 0 0 0 6.3544 -3.1249 0.0000 C 0 0 0 5.0229 -3.5575 0.0000 S 0 0 0 7.4870 -3.9478 0.0000 N 0 0 0 8.7660 -3.3783 0.0000 C 0 0 0 8.9123 -1.9860 0.0000 O 0 0 0 9.8986 -4.2012 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 9 1 12 13 1 12 14 1 14 15 1 15 16 2 15 17 1 M END > <Title> ZINC00134113 > <SMILES> Cc1cccc(c1)Cc2cnc(s2)NC(=O)C $$$$ C15H18NO2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -0.0000 0.0000 N 0 3 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 -0.0000 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 5 7 1 7 8 2 8 9 1 10 4 1 10 11 1 9 10 2 9 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M CHG 1 13 1 M END > <Title> ZINC00134407 > <SMILES> c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3 $$$$ C10H12N2O3 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 2 12 14 1 14 15 1 M END > <Title> ZINC00134413 > <SMILES> CNC(=O)Nc1ccc(cc1)C(=O)OC $$$$ C10H13N3O2 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 12 14 1 14 15 1 M END > <Title> ZINC00134415 > <SMILES> CNC(=O)c1ccc(cc1)NC(=O)NC $$$$ C12H10NO2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 -1.5229 0.0000 C 0 0 0 7.3407 -2.9152 0.0000 O 0 0 0 8.7660 -0.9535 0.0000 O 0 5 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 2 9 10 1 10 11 2 12 8 1 11 12 1 11 13 1 13 14 2 13 15 1 M CHG 1 15 -1 M END > <Title> ZINC00135487 > <SMILES> Cc1ccc(cc1)c2ccc([nH]2)C(=O)[O-] $$$$ C10H14N2O3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 O 0 0 0 4.1269 5.1305 0.0000 N 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 O 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00135932 > <SMILES> c1cc(oc1)CNC(=O)N2CCOCC2 $$$$ C15H20NO2 MOLSOFT 11061513452D 18 20 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 2 6.4765 -0.0453 0.0000 C 0 0 0 7.8755 0.5551 0.0000 N 0 3 0 8.1086 2.2845 0.0000 C 0 0 0 7.7024 3.2942 0.0000 C 0 0 0 7.6381 1.8022 0.0000 C 0 0 0 8.8704 1.2494 0.0000 C 0 0 0 9.1230 -0.0199 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 2 8 10 1 11 10 1 1 11 12 1 12 13 1 13 14 1 14 15 1 11 16 1 15 16 1 16 17 1 18 13 1 17 18 1 M CHG 1 13 1 M END > <Title> ZINC00135989 > <SMILES> Cc1ccc(cc1)C(=O)O[C@@H]2C[NH+]3CCC2CC3 $$$$ C12H10N3O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 O 0 0 0 4.5660 -0.9535 0.0000 N 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 6.5385 -5.3839 0.0000 C 0 0 0 5.2596 -5.9534 0.0000 O 0 0 0 7.6712 -6.2068 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 2 4 5 1 6 2 1 5 6 2 5 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 14 16 1 16 17 2 16 18 1 M CHG 1 18 -1 M END > <Title> ZINC00136098 > <SMILES> Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)[O-] $$$$ C9H11N3O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 2 11 13 1 13 14 1 M END > <Title> ZINC00136259 > <SMILES> CC(=O)Nc1ccc(cc1)C(=O)NN $$$$ C13H14N2OS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 S 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 -1.5229 0.0000 N 0 0 0 8.7660 -0.9535 0.0000 C 0 0 0 8.9123 0.4389 0.0000 O 0 0 0 9.8986 -1.7764 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 2 10 11 1 11 12 1 13 9 1 12 13 2 12 14 1 14 15 1 15 16 2 15 17 1 M END > <Title> ZINC00136929 > <SMILES> CCc1ccc(cc1)c2csc(n2)NC(=O)C $$$$ C10H16N2O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -5.6000 -3.8249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -5.6000 -1.0249 0.0000 C 0 0 0 -7.0000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 10 1 13 14 1 M END > <Title> ZINC00136984 > <SMILES> CC(C)(C)NC(=O)NCc1ccco1 $$$$ C12H13N3OS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.1229 -2.5047 0.0000 N 0 0 0 8.4544 -2.9373 0.0000 C 0 0 0 8.4544 -4.3373 0.0000 C 0 0 0 7.1229 -4.7699 0.0000 S 0 0 0 9.5870 -2.1144 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 16 12 1 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00137617 > <SMILES> Cc1cccc(c1)NC(=O)Nc2nc(cs2)C $$$$ C12H8N2OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 8.8038 7.0297 0.0000 N 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 3 M END > <Title> ZINC00138189 > <SMILES> c1cc(sc1)C(=O)Nc2ccc(cc2)C#N $$$$ C10H9N4O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 O 0 5 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 N 0 0 0 0.7000 6.0622 0.0000 N 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 7.2746 0.0000 O 0 0 0 2.8000 4.8497 0.0000 N 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 7 9 1 3 4 2 3 10 1 10 11 1 11 12 2 12 13 1 13 14 1 14 15 1 15 16 2 17 11 1 15 17 1 M CHG 1 9 -1 M END > <Title> ZINC00139185 > <SMILES> c1cc(ccc1C(=O)[O-])Nc2cn[nH]c(=O)n2 $$$$ C9H10ClFN2O MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 Cl 0 0 0 -0.0000 2.4249 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 9 10 2 10 11 1 12 7 1 11 12 2 12 13 1 8 9 1 8 14 1 M END > <Title> ZINC00139331 > <SMILES> CNC(=O)NCc1c(cccc1Cl)F $$$$ C13H17N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 2 0.7000 -1.2124 0.0000 O 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 O 0 0 0 6.3000 1.2124 0.0000 O 0 5 0 4.9000 6.0622 0.0000 N 0 0 0 2 1 1 1 2 3 1 3 4 1 6 5 1 2 7 1 6 7 1 6 8 1 1 4 5 1 4 9 1 9 10 2 10 11 1 11 12 2 14 9 1 13 14 2 14 15 1 15 16 2 15 17 1 12 13 1 12 18 1 M CHG 1 17 -1 M END > <Title> ZINC00139744 > <SMILES> C[C@H]1CN(C[C@H](O1)C)c2ccc(cc2C(=O)[O-])N $$$$ C9H6F2N2O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 -0.4750 -5.1271 0.0000 C 0 0 0 -1.4118 -4.0867 0.0000 C 0 0 0 -0.9791 -2.7552 0.0000 C 0 0 0 -1.9159 -1.7148 0.0000 O 0 0 0 -2.7812 -4.3777 0.0000 F 0 0 0 1.8312 -5.8764 0.0000 F 0 0 0 1 2 1 2 3 2 3 4 1 5 1 2 4 5 1 5 6 1 6 7 1 7 8 2 9 10 2 11 6 2 11 12 1 10 11 1 10 13 1 8 9 1 8 14 1 M END > <Title> ZINC00140092 > <SMILES> c1cn[nH]c1c2cc(cc(c2O)F)F $$$$ C11H12ClNOS MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 S 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 3 4 1 3 15 1 M END > <Title> ZINC00140258 > <SMILES> c1cc(ccc1C(=O)N2CCSCC2)Cl $$$$ C12H25N3O2 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -1.0725 0.8999 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 1.8569 -2.5912 0.0000 C 0 0 0 3.4156 -1.6913 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 N 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 -1.0725 -0.8999 0.0000 C 0 0 0 1 2 1 3 4 1 5 6 1 7 2 1 7 8 1 6 7 1 6 9 1 6 10 1 4 5 1 4 11 1 11 12 1 12 13 2 12 14 1 14 15 1 14 16 1 2 3 1 2 17 1 M END > <Title> ZINC00140659 > <SMILES> CC1(CC(CC(N1O)(C)C)NC(=O)N(C)C)C $$$$ C13H16NO3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 N 0 3 0 4.2000 -0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 4 6 1 6 7 1 8 2 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 12 13 1 13 14 1 14 15 1 14 16 1 11 12 1 11 17 1 M CHG 1 14 1 M END > <Title> ZINC00140907 > <SMILES> Cc1cc(=O)oc2c1ccc(c2C[NH+](C)C)O $$$$ C9H12N4O MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.9159 1.7148 0.0000 O 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -4.1506 4.6688 0.0000 N 0 0 0 1 2 1 2 3 1 6 2 2 5 6 1 5 7 1 4 5 1 4 8 1 3 4 2 3 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 3 M END > <Title> ZINC00141498 > <SMILES> Cc1c(c(n(n1)C)C)NC(=O)CC#N $$$$ C10H19N3O2 MOLSOFT 11061513452D 15 15 0 0 1 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0.6074 1.2614 0.0000 C 0 0 0 1.9723 1.5729 0.0000 C 0 0 0 3.0669 0.7000 0.0000 C 0 0 0 3.0669 -0.7000 0.0000 C 0 0 0 1.9723 -1.5729 0.0000 N 0 0 0 0.6074 -1.2614 0.0000 C 0 0 0 -0.2654 -2.3559 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 8 7 1 6 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 8 14 1 13 14 1 14 15 2 M END > <Title> ZINC00141615 > <SMILES> CC(C)NC(=O)N[C@@H]1CCCCNC1=O $$$$ C12H12N2O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 S 0 0 0 3.6876 1.9124 0.0000 O 0 0 0 6.1124 0.5124 0.0000 O 0 0 0 5.6000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 5.6000 4.8497 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 7.7000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 7.7000 6.0622 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 2 8 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00141883 > <SMILES> c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N $$$$ C12H8F2O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 1.8617 -3.4847 0.0000 F 0 0 0 6.6849 -3.9916 0.0000 F 0 0 0 1 2 1 2 3 2 2 4 1 4 5 2 5 6 1 6 7 2 8 4 1 7 8 1 7 9 1 9 10 2 10 11 1 11 12 2 14 9 1 13 14 2 14 15 1 12 13 1 12 16 1 M END > <Title> ZINC00142116 > <SMILES> CC(=O)c1ccc(o1)c2ccc(cc2F)F $$$$ C15H21N2 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 3 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.3306 2.4914 0.0000 C 0 0 0 5.3710 3.4282 0.0000 N 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 C 0 0 0 7.3327 0.4220 0.0000 C 0 0 0 8.6642 0.8546 0.0000 C 0 0 0 8.9553 2.2240 0.0000 C 0 0 0 7.9149 3.1608 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 1 9 10 2 10 11 1 11 12 1 13 9 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 M CHG 1 5 1 M END > <Title> ZINC00142608 > <SMILES> CC1CC[NH+](CC1)Cc2c[nH]c3c2cccc3 $$$$ C12H17N3O2 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 14 15 2 14 16 1 16 17 1 M END > <Title> ZINC00142713 > <SMILES> CC(C)CC(=O)Nc1ccc(cc1)C(=O)NN $$$$ C9H14NO3S MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 3 0 1.8617 3.4847 0.0000 C 0 0 0 1.7154 4.8770 0.0000 C 0 0 0 2.8480 5.6999 0.0000 S 0 0 0 3.6309 6.8605 0.0000 O 0 0 0 1.8409 6.6724 0.0000 O 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 2 10 13 1 14 7 1 13 14 1 M CHG 1 7 1 M END > <Title> ZINC00143194 > <SMILES> c1cc(oc1)C[NH+]2CCS(=O)(=O)CC2 $$$$ C14H16N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 N 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 13 8 1 12 13 2 11 12 1 11 14 1 14 15 2 15 16 1 16 17 2 18 14 1 17 18 1 M END > <Title> ZINC00143419 > <SMILES> CC(C)(C)C(=O)Nc1ccc(cc1)c2cnco2 $$$$ C9H11NO4S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 S 0 0 0 4.2000 -3.8249 0.0000 O 0 0 0 4.2000 -1.0249 0.0000 O 0 0 0 5.6000 -2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 9 11 1 11 12 1 12 13 2 12 14 2 12 15 1 M END > <Title> ZINC00143593 > <SMILES> COC(=O)c1cccc(c1)NS(=O)(=O)C $$$$ C13H12ClNO MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.1000 -8.4870 0.0000 N 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 3 4 2 3 16 1 M END > <Title> ZINC00144181 > <SMILES> c1cc(ccc1COc2ccc(cc2)N)Cl $$$$ C9H11N3O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 5 1 9 10 2 10 11 1 11 12 2 11 13 1 13 14 1 M END > <Title> ZINC00144281 > <SMILES> CC(=O)Nc1ccccc1C(=O)NN $$$$ C10H9ClN2O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 6.6849 3.9916 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 3 1 6 7 1 5 6 2 5 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 M END > <Title> ZINC00144519 > <SMILES> CCc1nc(no1)c2ccc(cc2)Cl $$$$ C11H12N2O2S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 5.7917 -1.4000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 15 7 1 14 15 1 12 13 2 12 16 1 M END > <Title> ZINC00145371 > <SMILES> CCOC(=O)Nc1nc2ccc(cc2s1)C $$$$ C10H13NO2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 M END > <Title> ZINC00145618 > <SMILES> CCOC(=O)NCc1ccccc1 $$$$ C12H16N4O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 N 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 12 13 1 13 14 1 14 15 2 16 10 1 14 16 1 11 12 1 11 17 1 M END > <Title> ZINC00145760 > <SMILES> CCc1ccc(cc1)Nc2c(n[nH]c(=O)n2)C $$$$ C12H18N2O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 O 0 0 0 4.1269 5.1305 0.0000 N 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 6.2459 8.1686 0.0000 C 0 0 0 7.5248 7.5992 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00146727 > <SMILES> c1cc(oc1)CNC(=O)NC2CCCCC2 $$$$ C13H15N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 N 0 0 0 8.3923 2.5712 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 2 12 14 1 14 15 2 15 16 1 16 17 2 18 14 1 17 18 1 M END > <Title> ZINC00147728 > <SMILES> CC(C)c1ccc(cc1)NNC(=O)c2ccno2 $$$$ C14H20N2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.6377 3.7772 0.0000 C 0 0 0 7.9900 4.1395 0.0000 C 0 0 0 8.3523 2.7872 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 2 12 14 1 14 15 1 15 16 1 17 14 1 16 17 1 M END > <Title> ZINC00147730 > <SMILES> CC(C)c1ccc(cc1)NNC(=O)C2CCC2 $$$$ C15H16N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 8 3 1 7 8 2 8 9 1 9 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00148636 > <SMILES> CCc1ccccc1NNC(=O)c2ccccc2 $$$$ C12H14N2OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 S 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 -1.5229 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 2 12 13 1 13 14 1 15 11 1 14 15 2 14 16 1 M END > <Title> ZINC00149765 > <SMILES> CC(C)Oc1ccc(cc1)c2csc(n2)N $$$$ C8H13N3O2S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 1 13 14 1 M END > <Title> ZINC00150320 > <SMILES> CC(C)C(=O)Nc1nnc(s1)COC $$$$ C10H15N3O2S MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 2 4.6185 -1.0903 0.0000 C 0 0 0 5.4414 -2.2229 0.0000 C 0 0 0 4.6185 -3.3555 0.0000 C 0 0 0 3.2870 -2.9229 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 12 10 1 6 12 13 1 13 14 1 14 15 1 12 16 1 15 16 1 M END > <Title> ZINC00150322 > <SMILES> CC(C)C(=O)Nc1nnc(s1)[C@@H]2CCCO2 $$$$ C11H7N2O4 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.2923 -3.7836 0.0000 C 0 0 0 6.5834 -5.1531 0.0000 C 0 0 0 5.3710 -5.8531 0.0000 N 0 0 0 4.3306 -4.9163 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 O 0 5 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 2 8 10 1 10 11 2 11 12 1 12 13 2 14 10 1 13 14 1 3 4 1 3 15 1 15 16 2 15 17 1 M CHG 1 17 -1 M END > <Title> ZINC00151365 > <SMILES> c1cc(cc(c1)NC(=O)c2ccno2)C(=O)[O-] $$$$ C11H13FN2O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.0523 -6.4245 0.0000 C 0 0 0 1.6899 -7.7768 0.0000 C 0 0 0 0.3377 -7.4145 0.0000 C 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 14 11 1 13 14 1 3 4 2 3 15 1 M END > <Title> ZINC00151442 > <SMILES> c1cc(ccc1NNC(=O)C2CCC2)F $$$$ C11H10FN3O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 N 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 F 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 M END > <Title> ZINC00151474 > <SMILES> Cc1cc(no1)C(=O)NNc2ccccc2F $$$$ C10H8FN3O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.1229 -2.5047 0.0000 C 0 0 0 8.4544 -2.9373 0.0000 C 0 0 0 8.4544 -4.3373 0.0000 N 0 0 0 7.1229 -4.7699 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 2 12 13 1 13 14 2 15 11 1 14 15 1 4 5 1 4 16 1 M END > <Title> ZINC00151485 > <SMILES> c1ccc(c(c1)NNC(=O)c2ccno2)F $$$$ C13H11FN2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 M END > <Title> ZINC00151494 > <SMILES> c1ccc(cc1)C(=O)NNc2ccccc2F $$$$ C11H16N2O2S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 S 0 0 0 1.5876 3.1249 0.0000 O 0 0 0 4.0124 1.7249 0.0000 O 0 0 0 3.5000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 12 7 1 11 12 1 3 4 1 3 13 1 13 14 2 13 15 2 13 16 1 M END > <Title> ZINC00151759 > <SMILES> c1cc(ccc1N2CCCCC2)S(=O)(=O)N $$$$ C11H13FN2O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 O 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 3 4 1 3 16 1 M END > <Title> ZINC00152042 > <SMILES> c1cc(ccc1NC(=O)N2CCOCC2)F $$$$ C10H20N3O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M CHG 1 2 1 M END > <Title> ZINC00152045 > <SMILES> C[NH+]1CCN(CC1)C(=O)N2CCOCC2 $$$$ C10H18N2O3 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 1 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 O 0 0 0 4.1269 5.1305 0.0000 N 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 O 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 1 2 1 3 2 1 5 1 1 4 5 1 3 4 1 3 6 1 6 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00152083 > <SMILES> C1C[C@@H](OC1)CNC(=O)N2CCOCC2 $$$$ C11H23N2O3 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 3 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 1 15 16 1 M CHG 1 11 1 M END > <Title> ZINC00152375 > <SMILES> CC(C)(C)OC(=O)N1CC[NH+](CC1)CCO $$$$ C12H21N2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 11 6 1 10 11 2 9 10 1 9 12 1 12 13 1 12 14 1 M CHG 1 4 1 M END > <Title> ZINC00152549 > <SMILES> CC(C)[NH2+]Cc1ccc(cc1)N(C)C $$$$ C10H14N2O MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 4 5 1 4 8 1 8 9 1 9 10 1 10 11 1 11 12 1 13 8 1 12 13 1 M END > <Title> ZINC00152601 > <SMILES> c1ccc(c(c1)N)N2CCOCC2 $$$$ C13H21N2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 3 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 4 5 1 4 9 1 9 10 1 10 11 1 11 12 1 14 9 1 13 14 1 12 13 1 12 15 1 15 16 1 M CHG 1 8 1 M END > <Title> ZINC00153479 > <SMILES> c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO $$$$ C11H14N2O3 MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 2 4.0233 5.1156 0.0000 C 0 0 0 4.9444 6.1699 0.0000 C 0 0 0 6.3430 6.1071 0.0000 C 0 0 0 7.1659 4.9745 0.0000 C 0 0 0 6.7935 3.6249 0.0000 N 0 0 0 5.5061 3.0747 0.0000 C 0 0 0 5.4433 1.6761 0.0000 O 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 9 8 1 6 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 9 15 1 14 15 1 15 16 2 M END > <Title> ZINC00153520 > <SMILES> c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O $$$$ C12H11N3O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 O 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 12 14 1 14 15 2 15 16 1 16 17 2 18 14 1 17 18 1 M END > <Title> ZINC00153559 > <SMILES> CC(=O)Nc1ccc(cn1)NC(=O)c2ccco2 $$$$ C8H7F4NO MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 5.6000 -2.4249 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 F 0 0 0 6.3000 -3.6373 0.0000 F 0 0 0 4.2000 -3.8249 0.0000 F 0 0 0 4.2000 -1.0249 0.0000 F 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 9 10 1 9 11 1 8 9 1 8 12 1 8 13 1 3 4 1 3 14 1 M END > <Title> ZINC00153616 > <SMILES> c1cc(cc(c1)OC(C(F)F)(F)F)N $$$$ C10H19N2O MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 3 0 4.9000 1.2124 0.0000 C 0 0 0 4.9000 2.6124 0.0000 C 0 0 0 6.1124 1.9124 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 9 4 1 8 9 1 7 8 1 7 10 1 10 11 1 11 12 1 13 11 1 12 13 1 M CHG 1 10 1 M END > <Title> ZINC00153943 > <SMILES> CC(=O)N1CCC(CC1)[NH2+]C2CC2 $$$$ C13H25N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 3 0 4.9000 1.2124 0.0000 C 0 0 0 4.9000 2.6124 0.0000 C 0 0 0 6.1124 1.9124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 1 15 16 1 17 15 1 16 17 1 M CHG 1 14 1 M END > <Title> ZINC00154091 > <SMILES> CC(C)(C)OC(=O)N1CCC(CC1)[NH2+]C2CC2 $$$$ C12H14N4 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 N 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 4 5 1 4 16 1 M END > <Title> ZINC00154213 > <SMILES> Cc1cc(nc(n1)Nc2ccc(cc2)N)C $$$$ C14H10N2O MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -7.2746 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 16 7 2 15 16 1 4 5 1 4 17 1 M END > <Title> ZINC00154226 > <SMILES> c1ccc(c(c1)c2ccc3cccnc3n2)O $$$$ C8H14NO2 MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 5 1 8 9 1 8 10 1 10 11 1 M CHG 1 2 1 M END > <Title> ZINC00155106 > <SMILES> C[NH+](C)Cc1ccc(o1)CO $$$$ C11H20N2O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M END > <Title> ZINC00155163 > <SMILES> C1CCN(CC1)C(=O)N2CCCCC2 $$$$ C13H11N3O2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 8.0543 3.7005 0.0000 C 0 0 0 8.7543 4.9130 0.0000 C 0 0 0 7.8175 5.9534 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 14 16 1 16 17 2 18 13 1 17 18 1 M END > <Title> ZINC00155226 > <SMILES> Cc1cc(no1)C(=O)Nc2ccc3c(c2)cc[nH]3 $$$$ C9H18NO2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 12 7 1 11 12 1 M CHG 1 7 1 M END > <Title> ZINC00155331 > <SMILES> CCOC(=O)C[NH+]1CCCCC1 $$$$ C9H10ClNO2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 11 13 1 M END > <Title> ZINC00156223 > <SMILES> CCOC(=O)Nc1cccc(c1)Cl $$$$ C13H16N2O2 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 -0.0000 -8.6746 0.0000 C 0 0 0 -1.2124 -7.9746 0.0000 C 0 0 0 4.1694 0.2911 0.0000 C 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 14 12 1 13 14 1 4 5 1 4 15 1 15 16 1 17 3 1 16 17 1 M END > <Title> ZINC00157641 > <SMILES> c1cc2c(cc1NC(=O)NCC3CC3)CCO2 $$$$ C6H6N4 MOLSOFT 11061513452D 10 11 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.6185 -1.0903 0.0000 N 0 0 0 5.4414 -2.2229 0.0000 C 0 0 0 4.6185 -3.3555 0.0000 C 0 0 0 3.2870 -2.9229 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 5 1 1 4 5 1 4 6 1 6 7 1 7 8 1 8 9 2 10 6 2 9 10 1 M END > <Title> ZINC00157663 > <SMILES> c1cnc([nH]1)c2[nH]ccn2 $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 M END > <Title> ZINC00157953 > <SMILES> COc1ccc(cn1)NC(=O)Nc2cccs2 $$$$ C13H15N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 O 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 3.5000 3.6373 0.0000 N 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 3 4 2 3 17 1 17 18 3 M END > <Title> ZINC00158077 > <SMILES> c1cc(ccc1CNC(=O)N2CCOCC2)C#N $$$$ C12H18NO2S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 S 0 0 0 7.6156 4.1161 0.0000 O 0 0 0 6.0569 5.0160 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 2 12 14 2 12 15 1 16 9 1 15 16 1 M CHG 1 9 1 M END > <Title> ZINC00158191 > <SMILES> Cc1ccc(cc1)C[NH+]2CCS(=O)(=O)CC2 $$$$ C10H8N2S2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.1923 -2.5712 0.0000 C 0 0 0 4.4834 -3.9406 0.0000 C 0 0 0 3.2710 -4.6406 0.0000 C 0 0 0 2.2306 -3.7038 0.0000 S 0 0 0 3.1246 -6.0329 0.0000 C 0 0 0 1.8457 -6.6024 0.0000 S 0 0 0 4.2573 -6.8558 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 2 12 14 1 M END > <Title> ZINC00158469 > <SMILES> c1ccnc(c1)c2ccc(s2)C(=S)N $$$$ C11H12NS MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 6.5385 5.3839 0.0000 N 0 3 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 M CHG 1 13 1 M END > <Title> ZINC00158702 > <SMILES> c1cc(sc1)c2ccc(cc2)C[NH3+] $$$$ C12H18NO2 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 3 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 2 6.3000 1.2124 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 8 7 1 8 9 1 9 10 1 10 11 1 12 11 1 8 13 1 12 13 1 12 14 1 1 14 15 1 M CHG 1 8 1 M END > <Title> ZINC00158723 > <SMILES> c1ccc(cc1)C[NH+]2CCO[C@H](C2)CO $$$$ C11H11ClN3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 Cl 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 N 0 3 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 1 2 1 2 3 2 6 1 2 5 6 1 6 7 1 4 5 2 4 8 1 3 4 1 3 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 M CHG 1 13 1 M END > <Title> ZINC00158735 > <SMILES> c1cc(c(cc1Cl)N)Nc2cc[nH+]cc2 $$$$ C10H15N3O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 12 7 1 11 12 1 10 11 1 10 13 1 13 14 1 M END > <Title> ZINC00158945 > <SMILES> c1cnc(nc1)N2CCC(CC2)CO $$$$ C11H15NO2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 O 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 4 5 1 4 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M END > <Title> ZINC00159007 > <SMILES> c1ccc(c(c1)CO)N2CCOCC2 $$$$ C12H18NO2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 O 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 13 8 1 12 13 1 3 4 2 3 14 1 14 15 1 M CHG 1 8 1 M END > <Title> ZINC00159078 > <SMILES> c1cc(ccc1C[NH+]2CCOCC2)CO $$$$ C12H12N2OS MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 C 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 S 0 0 0 2.7457 -3.6222 0.0000 N 0 0 0 3.7861 -4.5590 0.0000 C 0 0 0 5.1176 -4.1264 0.0000 O 0 0 0 3.4950 -5.9284 0.0000 N 0 0 0 4.5354 -6.8652 0.0000 C 0 0 0 5.9048 -7.1563 0.0000 C 0 0 0 4.9681 -8.1967 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 9 4 1 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 16 14 1 15 16 1 M END > <Title> ZINC00159397 > <SMILES> c1ccc2c(c1)c(cs2)NC(=O)NC3CC3 $$$$ C5H12NO2S MOLSOFT 11061513452D 9 9 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 S 0 0 0 3.8725 -0.8999 0.0000 O 0 0 0 3.8725 0.8999 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 5 7 2 5 8 1 9 2 1 8 9 1 M CHG 1 2 1 M END > <Title> ZINC00160345 > <SMILES> C[NH+]1CCS(=O)(=O)CC1 $$$$ C12H18N2O MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -5.6000 -3.8249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -5.6000 -1.0249 0.0000 C 0 0 0 -7.0000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 M END > <Title> ZINC00161017 > <SMILES> CC(C)(C)NC(=O)NCc1ccccc1 $$$$ C14H18N2O2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 1 7.5124 1.9124 0.0000 C 0 0 0 7.5124 0.5124 0.0000 C 0 0 0 7.0336 -0.8031 0.0000 C 0 0 0 8.8912 0.2693 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 14 12 1 1 14 15 1 14 16 1 15 16 1 16 17 1 16 18 1 M END > <Title> ZINC00161223 > <SMILES> CC(=O)Nc1ccc(cc1)NC(=O)[C@H]2CC2(C)C $$$$ C7H6N2O2 MOLSOFT 11061513452D 11 12 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 O 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 1 8 3 2 7 8 1 7 9 2 9 10 1 11 6 2 10 11 1 M END > <Title> ZINC00161239 > <SMILES> COc1ccc2c(c1)non2 $$$$ C16H21N2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 N 0 0 0 6.4306 6.1287 0.0000 C 0 0 0 7.4710 7.0655 0.0000 C 0 0 0 8.6834 6.3655 0.0000 C 0 0 0 8.3923 4.9961 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 1 15 16 2 16 17 1 18 14 1 17 18 2 M CHG 1 8 1 M END > <Title> ZINC00161500 > <SMILES> c1ccc(cc1)C[NH+]2CCC(CC2)n3cccc3 $$$$ C13H17NO3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 6.0622 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 16 11 1 15 16 1 14 15 1 14 17 1 M END > <Title> ZINC00161960 > <SMILES> c1ccc(cc1)COC(=O)N2CCC(CC2)O $$$$ C9H11F3N MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.2000 1.4000 0.0000 F 0 0 0 4.2000 -1.4000 0.0000 F 0 0 0 5.6000 -0.0000 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 10 12 1 10 13 1 M CHG 1 2 1 M END > <Title> ZINC00161983 > <SMILES> C[NH2+]Cc1ccc(cc1)C(F)(F)F $$$$ C8H11ClN MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 8 10 1 M CHG 1 2 1 M END > <Title> ZINC00161986 > <SMILES> C[NH2+]Cc1cccc(c1)Cl $$$$ C7H11N2 MOLSOFT 11061513452D 9 9 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 M CHG 1 2 1 M END > <Title> ZINC00161991 > <SMILES> C[NH2+]Cc1ccncc1 $$$$ C7H6Cl2N2O MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 8 9 2 10 5 2 9 10 1 9 11 1 7 8 1 7 12 1 M END > <Title> ZINC00163081 > <SMILES> CNC(=O)c1cc(nc(c1)Cl)Cl $$$$ C12H16N2 MOLSOFT 11061513452D 14 14 0 0 1 0 0 0 0 0999 V2000 -4.5249 1.2124 0.0000 C 0 0 0 -3.3124 0.5124 0.0000 C 0 0 0 -3.3124 -0.8876 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 2 -0.8876 1.9124 0.0000 C 0 0 0 -2.8000 2.4249 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 4 2 1 4 5 1 1 6 7 3 4 6 1 4 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 M END > <Title> ZINC00163431 > <SMILES> CC(C)[C@](C)(C#N)Nc1ccccc1 $$$$ C11H13N5O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 O 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 6.3000 6.0622 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 8 2 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 16 17 1 5 6 1 5 18 1 M END > <Title> ZINC00163667 > <SMILES> Cc1c(=O)n(c(nn1)Nc2ccc(cc2)OC)N $$$$ C11H11N3O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 10.5000 1.2124 0.0000 O 0 0 0 8.4000 0.0000 0.0000 N 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 1 12 13 2 12 14 1 15 9 1 14 15 1 15 16 2 M END > <Title> ZINC00163917 > <SMILES> c1ccc(cc1)CNc2c[nH]c(=O)[nH]c2=O $$$$ C11H11NO MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 1.8617 -3.4847 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 2 1 5 6 1 5 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 2 12 13 1 M END > <Title> ZINC00163959 > <SMILES> Cc1ccc(o1)c2ccccc2N $$$$ C9H11NO3S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 N 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 2.6965 -3.2134 0.0000 O 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 10 6 2 9 10 1 10 11 1 11 12 1 12 13 2 12 14 1 M END > <Title> ZINC00163962 > <SMILES> CCOC(=O)c1ccsc1NC(=O)C $$$$ C10H11N3O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.9159 1.7148 0.0000 C 0 0 0 -3.2853 2.0059 0.0000 C 0 0 0 -3.7179 3.3373 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 1 2 1 2 3 1 4 5 1 5 6 2 7 2 1 5 7 1 3 4 2 3 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 M END > <Title> ZINC00164499 > <SMILES> Cn1c(cc(=O)[nH]1)Nc2ccccc2 $$$$ C5H8O2 MOLSOFT 11061513452D 7 7 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 1.2124 -0.7000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 7 5 1 6 7 1 M END > <Title> ZINC00164516 > <SMILES> COC(=O)C1CC1 $$$$ C7H8O3 MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 10 6 2 9 10 1 M END > <Title> ZINC00164621 > <SMILES> CCOC(=O)c1ccoc1 $$$$ C7H11N2 MOLSOFT 11061513452D 9 9 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 3 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 M CHG 1 7 1 M END > <Title> ZINC00164674 > <SMILES> CN(C)c1cc[nH+]cc1 $$$$ C8H9F3NO MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 3 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 3.6876 1.9124 0.0000 F 0 0 0 6.1124 0.5124 0.0000 F 0 0 0 5.6000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 4 5 1 4 9 1 9 10 1 10 11 1 10 12 1 10 13 1 M CHG 1 8 1 M END > <Title> ZINC00165237 > <SMILES> c1ccc(c(c1)C[NH3+])OC(F)(F)F $$$$ C7H8F3N3 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.2000 1.4000 0.0000 F 0 0 0 4.2000 -1.4000 0.0000 F 0 0 0 5.6000 -0.0000 0.0000 F 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 1 2 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 6 7 1 6 9 1 9 10 1 9 11 1 9 12 1 2 3 1 2 13 1 M END > <Title> ZINC00165261 > <SMILES> CN(c1ccc(cn1)C(F)(F)F)N $$$$ C8H12N2O MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 9 4 1 8 9 1 7 8 1 7 10 1 10 11 3 M END > <Title> ZINC00165539 > <SMILES> CC(=O)N1CCC(CC1)C#N $$$$ C10H19N3S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.5215 -0.6437 0.0000 C 0 0 0 4.8757 -2.9090 0.0000 C 0 0 0 6.8312 -2.5993 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 5 6 1 6 7 2 8 4 1 7 8 1 7 9 1 9 10 1 10 11 1 11 12 1 11 13 1 11 14 1 M END > <Title> ZINC00166528 > <SMILES> CC(C)c1nnc(s1)NCC(C)(C)C $$$$ C8H8F3N MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 1.2124 -3.1249 0.0000 F 0 0 0 -1.2124 -1.7249 0.0000 F 0 0 0 -0.7000 -3.6373 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 8 3 1 7 8 2 8 9 1 9 10 1 9 11 1 9 12 1 M END > <Title> ZINC00167051 > <SMILES> CNc1ccccc1C(F)(F)F $$$$ C8H4F3O3 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 O 0 5 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 3.6876 1.9124 0.0000 F 0 0 0 6.1124 0.5124 0.0000 F 0 0 0 5.6000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 7 9 1 4 5 1 4 10 1 10 11 1 11 12 1 11 13 1 11 14 1 M CHG 1 9 -1 M END > <Title> ZINC00167135 > <SMILES> c1ccc(c(c1)C(=O)[O-])OC(F)(F)F $$$$ C9H8F2O2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 F 0 0 0 6.3000 1.2124 0.0000 F 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 11 13 1 M END > <Title> ZINC00167178 > <SMILES> CC(=O)c1ccc(cc1)OC(F)F $$$$ C9H8F2O2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 F 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 2 7 8 1 8 9 2 11 6 1 10 11 2 11 12 1 9 10 1 9 13 1 M END > <Title> ZINC00167238 > <SMILES> CCOC(=O)c1ccc(cc1F)F $$$$ C8H16NO4S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 S 0 0 0 3.8725 -0.8999 0.0000 O 0 0 0 3.8725 0.8999 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 2 10 13 1 14 7 1 13 14 1 M CHG 1 7 1 M END > <Title> ZINC00167442 > <SMILES> CCOC(=O)C[NH+]1CCS(=O)(=O)CC1 $$$$ C16H13N3 MOLSOFT 11061513452D 19 21 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 0.0000 0.0000 N 0 0 0 10.5000 -1.2124 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 N 0 0 0 11.2000 -2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 17 19 1 M END > <Title> ZINC00167737 > <SMILES> c1ccc(cc1)c2ccc(cc2)c3ccnc(n3)N $$$$ C14H13NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00168493 > <SMILES> COC(=O)c1ccc(cc1)c2ccc(cc2)N $$$$ C14H12N2O MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.2098 0.6457 0.0000 C 0 0 0 4.9187 2.0151 0.0000 C 0 0 0 5.9591 2.9519 0.0000 C 0 0 0 7.2906 2.5193 0.0000 C 0 0 0 7.5817 1.1499 0.0000 C 0 0 0 6.5413 0.2131 0.0000 C 0 0 0 8.3310 3.4561 0.0000 C 0 0 0 8.0399 4.8255 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 9 4 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 16 17 1 M END > <Title> ZINC00168836 > <SMILES> c1ccc2c(c1)ncn2c3ccc(cc3)CO $$$$ C13H15NO2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 2 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 16 8 1 15 16 1 M END > <Title> ZINC00168842 > <SMILES> CC(C)(C)NC(=O)c1cc2ccccc2o1 $$$$ C14H13NO3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 5 1 9 10 2 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC00168899 > <SMILES> COC(=O)c1ccccc1Oc2ccc(cc2)N $$$$ C9H8ClN3O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 N 0 0 0 -1.3923 -2.5712 0.0000 N 0 0 0 -0.3246 -6.0329 0.0000 C 0 0 0 0.9543 -6.6024 0.0000 O 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 11 7 1 10 11 2 9 10 1 9 12 1 12 13 1 3 4 2 3 14 1 M END > <Title> ZINC00168973 > <SMILES> c1cc(ccc1n2cc(nn2)CO)Cl $$$$ C11H11N3O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 O 0 0 0 2.1000 -6.0622 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 7 2 1 6 7 2 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 11 13 1 13 14 1 14 15 2 16 9 1 14 16 1 M END > <Title> ZINC00169538 > <SMILES> Cc1ccccc1Nc2cc(=O)[nH]c(=O)[nH]2 $$$$ C14H11O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 O 0 5 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 2 15 17 1 M CHG 1 17 -1 M END > <Title> ZINC00169677 > <SMILES> c1ccc(cc1)COc2ccc(cc2)C(=O)[O-] $$$$ C10H11N2O MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 O 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 1.5229 0.0000 C 0 0 0 7.3407 2.9152 0.0000 N 0 3 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 11 7 2 10 11 1 9 10 1 9 12 1 12 13 1 M CHG 1 13 1 M END > <Title> ZINC00169750 > <SMILES> c1ccc(cc1)c2cc(on2)C[NH3+] $$$$ C14H20N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC00169809 > <SMILES> CCOC(=O)C1CCN(CC1)c2ccc(cc2)N $$$$ C9H9NO2S MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.4859 -1.1326 0.0000 C 0 0 0 4.3088 -0.0000 0.0000 C 0 0 0 3.4859 1.1326 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 2 7 8 1 8 9 2 10 6 1 9 10 1 9 11 1 11 12 2 13 8 1 12 13 1 M END > <Title> ZINC00169822 > <SMILES> CCOC(=O)c1cc2c([nH]1)ccs2 $$$$ C13H10N4O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 6.4306 6.1287 0.0000 C 0 0 0 7.4710 7.0655 0.0000 C 0 0 0 8.6834 6.3655 0.0000 N 0 0 0 8.3923 4.9961 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 14 15 1 15 16 2 16 17 1 18 14 2 17 18 1 M END > <Title> ZINC00170266 > <SMILES> c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3 $$$$ C13H9FN2O MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 O 0 0 0 5.5282 -2.3834 0.0000 C 0 0 0 6.7406 -1.6834 0.0000 C 0 0 0 7.9531 -2.3834 0.0000 C 0 0 0 7.9531 -3.7834 0.0000 C 0 0 0 6.7406 -4.4834 0.0000 C 0 0 0 5.5282 -3.7834 0.0000 C 0 0 0 4.3157 -4.4834 0.0000 F 0 0 0 9.1655 -1.6834 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 9 4 1 8 9 1 8 10 1 10 11 2 11 12 1 13 14 1 15 10 1 14 15 2 15 16 1 12 13 2 12 17 1 M END > <Title> ZINC00170375 > <SMILES> c1ccc2c(c1)nc(o2)c3cc(ccc3F)N $$$$ C10H16N2O2S MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 S 0 0 0 -1.4000 1.4000 0.0000 O 0 0 0 -2.8000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 2 2 5 1 5 6 1 6 7 1 7 8 1 10 5 1 9 10 1 8 9 1 8 11 1 11 12 1 12 13 2 13 14 1 15 11 1 14 15 2 M END > <Title> ZINC00170459 > <SMILES> CS(=O)(=O)N1CCC(CC1)n2cccc2 $$$$ C15H16NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 O 0 5 0 -0.0000 2.4249 0.0000 C 0 0 0 -0.7000 3.6373 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -2.8000 4.8497 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.9000 3.6373 0.0000 C 0 0 0 -5.6000 4.8497 0.0000 C 0 0 0 -4.9000 6.0622 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 1 2 2 3 4 2 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 7 9 1 2 3 1 2 10 1 10 11 3 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M CHG 1 9 -1 M END > <Title> ZINC00170692 > <SMILES> c1c(cncc1C(=O)[O-])C#CCC2CCCCC2 $$$$ C17H12N2 MOLSOFT 11061513452D 19 21 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 5.6000 -0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 7.7000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 9.8000 0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 C 0 0 0 7.7000 -1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 C 0 0 0 12.0229 1.1326 0.0000 C 0 0 0 13.3544 0.7000 0.0000 C 0 0 0 13.3544 -0.7000 0.0000 N 0 0 0 12.0229 -1.1326 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 3 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 2 16 17 1 17 18 2 19 15 1 18 19 1 M END > <Title> ZINC00170709 > <SMILES> c1ccc(cc1)C#Cc2ccc(cc2)c3ccn[nH]3 $$$$ C9H6F3N3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.1923 -2.5712 0.0000 C 0 0 0 4.4834 -3.9406 0.0000 C 0 0 0 3.2710 -4.6406 0.0000 N 0 0 0 2.2306 -3.7038 0.0000 N 0 0 0 5.7624 -4.5100 0.0000 C 0 0 0 6.3318 -3.2311 0.0000 F 0 0 0 5.1929 -5.7890 0.0000 F 0 0 0 7.0413 -5.0795 0.0000 F 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 2 11 7 2 10 11 1 9 10 1 9 12 1 12 13 1 12 14 1 12 15 1 M END > <Title> ZINC00171023 > <SMILES> c1ccnc(c1)c2cc([nH]n2)C(F)(F)F $$$$ C11H12N4O3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 O 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 4.1694 0.2911 0.0000 N 0 0 0 4.3157 1.6834 0.0000 O 0 0 0 3.0368 2.2528 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 4 5 1 4 16 2 16 17 1 18 3 2 17 18 1 M END > <Title> ZINC00171101 > <SMILES> c1cc2c(cc1NC(=O)N3CCOCC3)non2 $$$$ C11H8N4O3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 N 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 8.0543 3.7005 0.0000 N 0 0 0 8.7543 4.9130 0.0000 O 0 0 0 7.8175 5.9534 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 1 15 10 2 14 15 1 14 16 2 16 17 1 18 13 2 17 18 1 M END > <Title> ZINC00171377 > <SMILES> Cc1cc(no1)NC(=O)c2ccc3c(c2)non3 $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 4.1694 0.2911 0.0000 N 0 0 0 4.3157 1.6834 0.0000 N 0 0 0 3.0368 2.2528 0.0000 S 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 4 5 1 4 15 1 15 16 2 17 3 1 16 17 1 M END > <Title> ZINC00171489 > <SMILES> c1cc2c(cc1C(=O)N3CCOCC3)nns2 $$$$ C11H13N3OS MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.2870 2.9229 0.0000 N 0 0 0 4.6185 3.3555 0.0000 C 0 0 0 5.4414 2.2229 0.0000 N 0 0 0 4.6185 1.0903 0.0000 O 0 0 0 5.0511 4.6870 0.0000 N 0 0 0 4.1143 5.7274 0.0000 C 0 0 0 4.5469 7.0589 0.0000 C 0 0 0 5.9164 7.3500 0.0000 C 0 0 0 6.8531 6.3096 0.0000 C 0 0 0 6.4205 4.9781 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 7 8 1 10 6 1 9 10 1 8 9 2 8 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00171546 > <SMILES> c1cc(sc1)c2nc(no2)N3CCCCC3 $$$$ C14H15N2O2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 N 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 4.1694 0.2911 0.0000 O 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 4 5 1 4 16 1 16 17 1 18 3 1 17 18 1 M CHG 1 8 1 M END > <Title> ZINC00172225 > <SMILES> c1cc2c(cc1C[NH2+]Cc3ccncc3)OCO2 $$$$ C13H20NO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 3 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 14 9 1 13 14 1 12 13 1 12 15 1 M CHG 1 9 1 M END > <Title> ZINC00174174 > <SMILES> c1ccc(cc1)CC[NH+]2CCC(CC2)O $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 S 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 N 0 0 0 6.7406 -1.6834 0.0000 C 0 0 0 6.7406 -0.2834 0.0000 O 0 0 0 7.9531 -2.3834 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 9 11 1 11 12 1 13 8 1 12 13 2 12 14 1 14 15 1 15 16 2 15 17 1 M END > <Title> ZINC00175322 > <SMILES> CC(=O)Nc1ccc2c(c1)sc(n2)NC(=O)C $$$$ C12H18NOS MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 3 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 O 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M CHG 1 10 1 M END > <Title> ZINC00176144 > <SMILES> c1ccc(cc1)SCC[NH+]2CCOCC2 $$$$ C9H15N3O MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 9 10 1 11 7 1 10 11 2 11 12 1 8 9 1 8 13 1 M END > <Title> ZINC00177097 > <SMILES> CCCC(=O)Nc1c([nH]nc1C)C $$$$ C16H15NO MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 C 0 0 0 6.8318 -1.2896 0.0000 C 0 0 0 7.8722 -2.2264 0.0000 C 0 0 0 9.2037 -1.7938 0.0000 C 0 0 0 9.4948 -0.4243 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 14 10 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00178514 > <SMILES> c1ccc(cc1)CC(=O)N2CCc3c2cccc3 $$$$ C15H17NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 3 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 O 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 6 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 16 17 1 5 6 2 5 18 1 M CHG 2 7 1 18 -1 M END > <Title> ZINC00178847 > <SMILES> Cc1ccc(c([nH+]1)CCc2ccc(cc2)OC)[O-] $$$$ C14H14N2 MOLSOFT 11061513452D 16 18 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 C 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.4484 -2.5063 0.0000 C 0 0 1 5.3020 -3.8986 0.0000 C 0 0 0 4.0231 -4.4681 0.0000 C 0 0 0 2.8904 -3.6452 0.0000 C 0 0 0 6.7273 -1.9369 0.0000 C 0 0 0 8.0063 -1.3674 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 2 10 5 1 9 10 1 11 9 1 12 13 1 14 8 1 13 14 1 11 12 1 11 15 1 6 15 16 3 M END > <Title> ZINC00178921 > <SMILES> Cc1ccc2c(c1)c3c([nH]2)[C@@H](CCC3)C#N $$$$ C13H17N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 N 0 0 0 8.5306 4.9163 0.0000 C 0 0 0 9.5710 5.8531 0.0000 C 0 0 0 10.7834 5.1531 0.0000 C 0 0 0 10.4923 3.7836 0.0000 C 0 0 0 11.4291 2.7432 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 13 1 16 17 1 17 18 2 M END > <Title> ZINC00179057 > <SMILES> c1ccc(cc1)NC(=O)NCCN2CCCC2=O $$$$ C11H8ClNO3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 4.9000 3.6373 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 11 1 12 7 1 11 12 2 12 13 1 14 5 1 13 14 1 14 15 2 9 10 2 9 16 1 M END > <Title> ZINC00180536 > <SMILES> CNC(=O)c1cc2cc(ccc2oc1=O)Cl $$$$ C15H22N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 6.0622 0.0000 C 0 0 0 10.5000 6.0622 0.0000 C 0 0 0 11.2000 4.8497 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00182146 > <SMILES> c1ccc(cc1)CCNC(=O)NC2CCCCC2 $$$$ C12H15F3NO MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1.5876 3.1249 0.0000 F 0 0 0 4.0124 1.7249 0.0000 F 0 0 0 3.5000 3.6373 0.0000 F 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 13 8 1 12 13 1 3 4 1 3 14 1 14 15 1 14 16 1 14 17 1 M CHG 1 8 1 M END > <Title> ZINC00183163 > <SMILES> c1cc(ccc1C[NH+]2CCOCC2)C(F)(F)F $$$$ C10H11N3O2S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.6185 -1.0903 0.0000 C 0 0 0 5.4414 -2.2229 0.0000 C 0 0 0 4.6185 -3.3555 0.0000 C 0 0 0 3.2870 -2.9229 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M END > <Title> ZINC00184262 > <SMILES> CC(C)C(=O)Nc1nnc(s1)c2ccco2 $$$$ C15H15NO2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 1 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 7 4 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 7 8 1 7 18 1 1 M END > <Title> ZINC00185941 > <SMILES> c1ccc(cc1)[C@@H](CNC(=O)c2ccccc2)O $$$$ C13H24NO2 MOLSOFT 11061513452D 16 18 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.6229 1.1326 0.0000 O 0 0 0 4.9544 0.7000 0.0000 C 0 0 0 4.9544 -0.7000 0.0000 C 0 0 1 3.6229 -1.1326 0.0000 O 0 0 0 6.0870 -1.5229 0.0000 C 0 0 0 7.3660 -0.9535 0.0000 N 0 3 0 7.6570 0.4159 0.0000 C 0 0 0 9.0494 0.5623 0.0000 C 0 0 0 9.6188 -0.7167 0.0000 C 0 0 0 8.5784 -1.6535 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 1 9 8 1 10 4 1 9 10 1 9 11 1 6 11 12 1 12 13 1 13 14 1 14 15 1 16 12 1 15 16 1 M CHG 1 12 1 M END > <Title> ZINC00186017 > <SMILES> C1CCC2(CC1)OC[C@@H](O2)C[NH+]3CCCC3 $$$$ C12H11NO2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 3 4 2 3 15 1 M END > <Title> ZINC00186362 > <SMILES> c1cc(ccc1Nc2ccc(cc2)O)O $$$$ C9H13N3O2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 2.4249 0.0000 N 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 0.0000 4.8497 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 1 2 2 3 4 2 3 5 1 5 6 1 6 7 2 8 1 1 6 8 1 2 3 1 2 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M END > <Title> ZINC00186834 > <SMILES> c1c(c(=O)[nH]c(=O)[nH]1)N2CCCCC2 $$$$ C10H15N3O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 2.4249 0.0000 N 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 C 0 0 0 -4.2000 2.4249 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 1 2 2 3 4 2 3 5 1 5 6 1 6 7 2 8 1 1 6 8 1 2 3 1 2 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00186837 > <SMILES> c1c(c(=O)[nH]c(=O)[nH]1)NC2CCCCC2 $$$$ C10H10N2O2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 N 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 7 9 1 6 7 1 6 10 1 10 11 1 11 12 2 12 13 1 14 10 2 13 14 1 M END > <Title> ZINC00187296 > <SMILES> COc1ccc(c(c1)O)c2cc[nH]n2 $$$$ C11H16NO3 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 3 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 2 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.2923 -3.7836 0.0000 C 0 0 0 6.5834 -5.1531 0.0000 C 0 0 0 5.3710 -5.8531 0.0000 C 0 0 0 4.3306 -4.9163 0.0000 O 0 0 0 2 1 1 2 3 1 3 4 1 4 5 1 6 5 1 2 7 1 6 7 1 6 8 1 1 8 9 1 9 10 2 9 11 1 11 12 2 12 13 1 13 14 2 15 11 1 14 15 1 M CHG 1 2 1 M END > <Title> ZINC00187980 > <SMILES> C[NH+]1CCC[C@H](C1)OC(=O)c2ccco2 $$$$ C11H11NO2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 C 0 0 0 -1.3923 -2.5712 0.0000 O 0 0 0 -2.9624 -4.5100 0.0000 C 0 0 0 -3.1087 -5.9024 0.0000 O 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 1 3 4 2 3 14 1 M END > <Title> ZINC00188736 > <SMILES> c1cc(ccc1c2ccc(o2)CO)N $$$$ C10H14N2O3S MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.2000 1.4000 0.0000 O 0 0 0 4.2000 -1.4000 0.0000 O 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 12 7 1 11 12 2 10 11 1 10 13 1 13 14 2 13 15 2 13 16 1 M END > <Title> ZINC00188952 > <SMILES> CC(=O)NCCc1ccc(cc1)S(=O)(=O)N $$$$ C13H15N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 N 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 7.6712 6.2068 0.0000 N 0 0 0 8.9501 5.6374 0.0000 C 0 0 0 7.5248 7.5992 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 16 17 1 16 18 1 M END > <Title> ZINC00189373 > <SMILES> Cc1cc(no1)NC(=O)c2ccc(cc2)N(C)C $$$$ C13H17N2 MOLSOFT 11061513452D 15 17 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 C 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.4484 -2.5063 0.0000 C 0 0 2 5.3020 -3.8986 0.0000 C 0 0 0 4.0231 -4.4681 0.0000 C 0 0 0 2.8904 -3.6452 0.0000 C 0 0 0 6.7273 -1.9369 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 2 10 5 1 9 10 1 11 9 1 12 13 1 14 8 1 13 14 1 11 12 1 11 15 1 1 M CHG 1 15 1 M END > <Title> ZINC00190426 > <SMILES> Cc1ccc2c(c1)c3c([nH]2)[C@H](CCC3)[NH3+] $$$$ C11H8FN3O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 F 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 7.2746 0.0000 N 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC00190498 > <SMILES> c1cc(cc(c1)F)NC(=O)c2cnccn2 $$$$ C11H13N2O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 15 8 1 13 15 1 M CHG 1 8 1 M END > <Title> ZINC00191034 > <SMILES> c1ccc(cc1)C[NH+]2CC(=O)NC(=O)C2 $$$$ C14H14N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 0.0000 -9.6995 0.0000 C 0 0 0 -1.4000 -9.6995 0.0000 C 0 0 0 -2.1000 -8.4870 0.0000 N 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 7 2 1 6 7 2 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00191601 > <SMILES> Cc1ccccc1OCC(=O)Nc2cccnc2 $$$$ C7H9N3O MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.4196 2.3458 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 5 7 1 7 8 1 7 9 1 4 5 2 4 10 1 10 11 3 M END > <Title> ZINC00192191 > <SMILES> Cc1nc(c(o1)N(C)C)C#N $$$$ C11H13N3O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 5.7917 1.4000 0.0000 N 0 0 0 5.7917 2.8000 0.0000 C 0 0 0 4.5792 3.5000 0.0000 O 0 0 0 7.0041 3.5000 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 1 5 6 2 7 8 2 9 4 2 8 9 1 10 2 1 9 10 1 10 11 1 6 7 1 6 12 1 12 13 1 13 14 2 13 15 1 M END > <Title> ZINC00196211 > <SMILES> Cc1nc2cc(ccc2n1C)NC(=O)C $$$$ C13H12N2OS MOLSOFT 11061513452D 17 19 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 2 5.4124 0.7000 0.0000 C 0 0 0 5.4124 -0.7000 0.0000 C 0 0 1 6.1124 -1.9124 0.0000 C 0 0 0 5.4124 -3.1249 0.0000 O 0 0 0 7.5124 -1.9124 0.0000 N 0 0 0 8.2124 -3.1249 0.0000 C 0 0 0 9.6048 -3.2712 0.0000 N 0 0 0 9.8958 -4.6406 0.0000 C 0 0 0 8.6834 -5.3406 0.0000 C 0 0 0 7.6430 -4.4038 0.0000 S 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 7 4 1 6 7 8 1 9 7 1 9 8 1 9 10 1 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 M END > <Title> ZINC00196534 > <SMILES> c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3 $$$$ C14H17NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.0725 0.8999 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.8000 7.2746 0.0000 O 0 0 0 -1.0725 -0.8999 0.0000 C 0 0 0 1 2 1 3 4 1 5 6 1 6 7 2 8 2 1 6 8 1 4 5 2 4 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 14 16 1 2 3 1 2 17 1 M END > <Title> ZINC00196621 > <SMILES> CC1(CC(=CC(=O)C1)Nc2cccc(c2)O)C $$$$ C11H12N4O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 N 0 0 0 2.8000 4.8497 0.0000 N 0 0 0 2.2306 6.1287 0.0000 C 0 0 0 3.2710 7.0655 0.0000 N 0 0 0 4.4834 6.3655 0.0000 N 0 0 0 4.1923 4.9961 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 8 3 2 7 8 1 7 9 1 9 10 1 5 6 1 5 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 2 16 17 1 18 14 1 17 18 2 M END > <Title> ZINC00198524 > <SMILES> COc1cc(cc(c1)OC)C(=O)Nn2cnnc2 $$$$ C15H13N3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 8.4000 -0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 7 8 1 5 6 1 5 9 1 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 18 9 2 17 18 1 M END > <Title> ZINC00198813 > <SMILES> Cc1ccc(cc1N)c2cnc3ccccc3n2 $$$$ C12H16F2NO MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 4 5 1 4 15 1 3 4 2 3 16 1 M CHG 1 8 1 M END > <Title> ZINC00199366 > <SMILES> c1cc(c(cc1C[NH+]2CCC(CC2)O)F)F $$$$ C12H15N3O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 16 8 2 15 16 1 M END > <Title> ZINC00200671 > <SMILES> CCCC(=O)NCc1[nH]c2ccccc2n1 $$$$ C11H13N3O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 16 8 2 15 16 1 M END > <Title> ZINC00200675 > <SMILES> COCC(=O)NCc1[nH]c2ccccc2n1 $$$$ C10H16NOS MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 S 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 1.3271 -3.5045 0.0000 N 0 3 0 2.6965 -3.2134 0.0000 C 0 0 0 3.6332 -4.2538 0.0000 C 0 0 0 3.2006 -5.5853 0.0000 C 0 0 0 1.8312 -5.8764 0.0000 C 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 4.1374 -6.6257 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 1 5 1 1 4 5 2 5 6 1 6 7 1 7 8 1 8 9 1 9 10 1 12 7 1 11 12 1 10 11 1 10 13 1 M CHG 1 7 1 M END > <Title> ZINC00200753 > <SMILES> c1cscc1C[NH+]2CCC(CC2)O $$$$ C14H19N3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -5.6000 -3.8249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -5.6000 -1.0249 0.0000 C 0 0 0 -7.0000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 18 10 2 17 18 1 M END > <Title> ZINC00201092 > <SMILES> CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1 $$$$ C10H8F3N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 C 0 0 0 6.2282 -1.1710 0.0000 F 0 0 0 4.8282 -3.5958 0.0000 F 0 0 0 6.7406 -3.0834 0.0000 F 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 9 11 1 11 12 2 13 8 1 12 13 1 12 14 1 14 15 1 14 16 1 14 17 1 M END > <Title> ZINC00201204 > <SMILES> CC(=O)Nc1ccc2c(c1)nc([nH]2)C(F)(F)F $$$$ C12H16F2NO MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 F 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 O 0 0 0 1 2 1 2 3 2 6 1 2 5 6 1 6 7 1 4 5 2 4 8 1 3 4 1 3 9 1 9 10 1 10 11 1 11 12 1 12 13 1 15 10 1 14 15 1 13 14 1 13 16 1 M CHG 1 10 1 M END > <Title> ZINC00202266 > <SMILES> c1cc(c(cc1F)F)C[NH+]2CCC(CC2)O $$$$ C11H11N3 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 4 5 1 4 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 M END > <Title> ZINC00202968 > <SMILES> c1ccc(c(c1)N)Nc2ccccn2 $$$$ C9H13N3O3S MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 S 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 O 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.9159 1.7148 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 1 6 2 1 5 6 2 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 3 4 1 3 12 1 12 13 2 12 14 1 14 15 1 14 16 1 M END > <Title> ZINC00204342 > <SMILES> Cc1c(sc(n1)NC(=O)OC)C(=O)N(C)C $$$$ C11H13N5O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 O 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 -0.0000 0.0000 O 0 0 0 8.4000 -0.0000 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 8 2 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 16 17 1 5 6 1 5 18 1 M END > <Title> ZINC00205967 > <SMILES> Cc1c(=O)n(c(nn1)Nc2ccccc2OC)N $$$$ C13H20NO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 3 4 2 3 15 1 M CHG 1 8 1 M END > <Title> ZINC00206168 > <SMILES> c1cc(ccc1C[NH2+]C2CCCCC2)O $$$$ C14H22NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 7 1 8 3 1 7 8 2 8 9 1 5 6 2 5 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M CHG 1 11 1 M END > <Title> ZINC00206171 > <SMILES> COc1cc(ccc1O)C[NH2+]C2CCCCC2 $$$$ C12H20NO2 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -1.0725 0.8999 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 2 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 O 0 0 0 2.8000 2.4249 0.0000 N 0 3 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.2306 6.1287 0.0000 C 0 0 0 3.2710 7.0655 0.0000 C 0 0 0 4.4834 6.3655 0.0000 C 0 0 0 4.1923 4.9961 0.0000 O 0 0 0 -1.0725 -0.8999 0.0000 C 0 0 0 1 2 1 4 3 1 5 6 1 7 2 1 6 7 1 4 5 1 4 8 1 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 10 1 13 14 1 2 3 1 2 15 1 M CHG 1 8 1 M END > <Title> ZINC00206876 > <SMILES> CC1(C[C@H](CCO1)[NH2+]Cc2ccco2)C $$$$ C14H22NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.1114 2.3692 0.0000 C 0 0 0 4.5240 3.7070 0.0000 C 0 0 0 5.8272 4.2184 0.0000 C 0 0 0 7.0397 3.5184 0.0000 C 0 0 0 7.2483 2.1341 0.0000 C 0 0 0 6.2961 1.1078 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 8 9 1 6 7 1 6 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 11 1 16 17 1 M CHG 1 11 1 M END > <Title> ZINC00207410 > <SMILES> COc1ccc(cc1O)C[NH+]2CCCCCC2 $$$$ C13H12N2 MOLSOFT 11061513452D 15 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 C 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.4484 -2.5063 0.0000 C 0 0 0 5.3020 -3.8986 0.0000 C 0 0 0 4.0231 -4.4681 0.0000 C 0 0 0 2.8904 -3.6452 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 3.5000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 9 4 1 8 9 1 8 10 1 10 11 1 11 12 1 13 7 1 12 13 1 3 4 1 3 14 1 14 15 3 M END > <Title> ZINC00208675 > <SMILES> c1cc(c2c(c1)c3c([nH]2)CCCC3)C#N $$$$ C13H22NO2 MOLSOFT 11061513452D 16 16 0 0 1 0 0 0 0 0999 V2000 -1.4000 -4.8497 0.0000 C 0 0 0 -2.8000 -4.8497 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 C 0 0 2 -2.8000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -4.9000 -3.6373 0.0000 O 0 0 0 -5.6000 -4.8497 0.0000 C 0 0 0 -4.9000 -6.0622 0.0000 O 0 0 0 -7.0000 -4.8497 0.0000 C 0 0 0 1 2 1 3 2 1 1 4 5 3 5 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 12 7 1 11 12 1 3 4 1 3 13 1 13 14 1 14 15 2 14 16 1 M CHG 1 7 1 M END > <Title> ZINC00208680 > <SMILES> CC[C@H](C#CC[NH+]1CCCCC1)OC(=O)C $$$$ C14H19NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.2174 2.6997 0.0000 C 0 0 0 -3.4605 1.3210 0.0000 C 0 0 0 -4.7761 0.8421 0.0000 O 0 0 0 -2.3880 0.4211 0.0000 N 0 0 0 -1.0725 0.8999 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -1.0725 -0.8999 0.0000 C 0 0 0 -0.8294 -2.2786 0.0000 C 0 0 0 -1.9018 -3.1785 0.0000 C 0 0 0 -3.2174 -2.6997 0.0000 C 0 0 0 -3.4605 -1.3210 0.0000 C 0 0 0 -2.3880 -0.4211 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 7 8 1 8 9 1 9 10 1 11 6 1 10 11 1 6 7 1 6 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00209570 > <SMILES> CC(=O)NCC1(CCOCC1)c2ccccc2 $$$$ C14H21N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 N 0 3 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 C 0 0 0 9.1000 -3.6373 0.0000 O 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 7 8 1 6 7 1 6 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M CHG 1 13 1 M END > <Title> ZINC00209829 > <SMILES> Cc1cccc(c1C)NC(=O)C[NH+]2CCOCC2 $$$$ C14H22NO2 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 -1.0725 0.8999 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 2 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 O 0 0 0 2.8000 2.4249 0.0000 N 0 3 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 4.9000 8.4870 0.0000 O 0 0 0 -1.0725 -0.8999 0.0000 C 0 0 0 1 2 1 4 3 1 5 6 1 7 2 1 6 7 1 4 5 1 4 8 1 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 2 3 1 2 17 1 M CHG 1 8 1 M END > <Title> ZINC00210034 > <SMILES> CC1(C[C@H](CCO1)[NH2+]Cc2ccc(cc2)O)C $$$$ C14H11FN2 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.2098 0.6457 0.0000 C 0 0 0 4.9187 2.0151 0.0000 C 0 0 0 3.5873 2.4477 0.0000 C 0 0 0 3.2962 3.8171 0.0000 C 0 0 0 4.3366 4.7539 0.0000 C 0 0 0 5.6681 4.3213 0.0000 C 0 0 0 5.9591 2.9519 0.0000 C 0 0 0 4.0455 6.1233 0.0000 F 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 9 4 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00210331 > <SMILES> c1ccc2c(c1)ncn2Cc3ccc(cc3)F $$$$ C13H15FN2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 O 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -3.7179 3.3373 0.0000 C 0 0 0 -5.0874 3.6284 0.0000 C 0 0 0 -5.5200 4.9599 0.0000 C 0 0 0 -4.5832 6.0003 0.0000 C 0 0 0 -3.2138 5.7092 0.0000 C 0 0 0 -6.8894 5.2510 0.0000 F 0 0 0 1 2 1 2 3 2 6 2 1 5 6 1 4 5 2 4 7 1 3 4 1 3 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00210537 > <SMILES> Cc1c(c(n[nH]1)C)CCOc2ccc(cc2)F $$$$ C9H14N2O3S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 1.2124 0.0000 C 0 0 0 -2.8000 0.0000 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 S 0 0 0 -1.4000 -1.4000 0.0000 O 0 0 0 -1.4000 1.4000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 1 2 1 3 4 1 4 5 1 2 3 1 2 6 1 6 7 2 6 8 2 6 9 1 9 10 2 10 11 1 11 12 2 14 9 1 13 14 2 12 13 1 12 15 1 M END > <Title> ZINC00211528 > <SMILES> CN(CCO)S(=O)(=O)c1ccc(cc1)N $$$$ C16H26NO MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 3 3 4.9000 -1.2124 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 2 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 8 5 1 8 9 1 8 10 1 11 10 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 11 12 1 11 18 1 6 M CHG 1 8 1 M END > <Title> ZINC00212155 > <SMILES> CC1CCC(CC1)[NH+](C)C[C@H](c2ccccc2)O $$$$ C15H23N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 3 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 9 4 1 8 9 1 7 8 1 7 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M CHG 1 10 1 M END > <Title> ZINC00212327 > <SMILES> CC(=O)N1CCC(CC1)[NH2+]CCc2ccccc2 $$$$ C15H26NO MOLSOFT 11061513452D 17 19 0 0 1 0 0 0 0 0999 V2000 -0.9899 0.9899 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0.9899 -0.9899 0.0000 C 0 0 1 2.9533 -1.2124 0.0000 C 0 0 0 3.6533 -0.0000 0.0000 C 0 0 0 2.9533 1.2124 0.0000 C 0 0 0 0.9899 0.9899 0.0000 C 0 0 2 1.9799 0.0000 0.0000 C 0 0 0 3.5838 2.4624 0.0000 C 0 0 0 2.8165 3.6334 0.0000 N 0 3 3 1.4182 3.7010 0.0000 C 0 0 0 1.0503 5.0519 0.0000 C 0 0 0 2.2214 5.8191 0.0000 C 0 0 0 3.3129 4.9425 0.0000 C 0 0 2 4.6637 5.3103 0.0000 C 0 0 0 5.0206 6.6641 0.0000 O 0 0 0 -0.9899 -0.9899 0.0000 C 0 0 0 1 2 1 3 4 1 4 5 1 5 6 2 7 2 1 3 8 1 1 7 8 1 1 7 6 1 6 9 1 10 9 1 10 11 1 11 12 1 12 13 1 14 10 1 14 13 1 14 15 1 6 15 16 1 3 2 1 2 17 1 M CHG 1 10 1 M END > <Title> ZINC00212385 > <SMILES> CC1([C@H]2CC=C([C@@H]1C2)C[NH+]3CCC[C@@H]3CO)C $$$$ C16H25N2 MOLSOFT 11061513452D 18 20 0 0 1 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 2 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 N 0 3 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 N 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 9.0965 -4.2451 0.0000 C 0 0 0 8.9501 -5.6374 0.0000 C 0 0 0 7.6712 -6.2068 0.0000 C 0 0 0 6.5385 -5.3839 0.0000 C 0 0 0 2 1 1 1 2 3 1 3 4 1 5 4 1 2 6 1 5 6 1 5 7 1 1 7 8 1 8 9 1 9 10 1 12 7 1 11 12 1 10 11 1 10 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M CHG 1 7 1 M END > <Title> ZINC00212563 > <SMILES> C[C@H]1CC[C@H](C1)[NH+]2CCN(CC2)c3ccccc3 $$$$ C11H15ClNO MOLSOFT 11061513452D 14 15 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 3 2.0923 -3.7836 0.0000 C 0 0 0 2.3834 -5.1531 0.0000 C 0 0 0 1.1710 -5.8531 0.0000 C 0 0 2 0.1306 -4.9163 0.0000 C 0 0 0 1.0246 -7.2454 0.0000 O 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 8 7 1 8 9 1 9 10 1 11 10 1 8 12 1 11 12 1 11 13 1 1 3 4 2 3 14 1 M CHG 1 8 1 M END > <Title> ZINC00212917 > <SMILES> c1cc(ccc1C[NH+]2CC[C@H](C2)O)Cl $$$$ C11H18NOS MOLSOFT 11061513452D 14 15 0 0 1 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 1.3271 -3.5045 0.0000 N 0 3 3 2.7194 -3.3582 0.0000 C 0 0 0 3.2888 -4.6371 0.0000 C 0 0 0 2.2484 -5.5739 0.0000 C 0 0 0 1.0360 -4.8739 0.0000 C 0 0 2 -0.2430 -5.4433 0.0000 C 0 0 0 -0.3893 -6.8357 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 2 2 5 6 1 6 7 1 8 7 1 8 9 1 9 10 1 10 11 1 12 8 1 12 11 1 12 13 1 6 13 14 1 M CHG 1 8 1 M END > <Title> ZINC00212939 > <SMILES> Cc1ccsc1C[NH+]2CCC[C@@H]2CO $$$$ C15H22NO2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 3 3 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 4.9000 -8.4870 0.0000 C 0 0 0 2 1 1 6 2 3 1 3 4 1 4 5 1 5 6 1 7 2 1 7 6 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 14 9 1 13 14 2 12 13 1 12 15 1 15 16 2 15 17 1 17 18 1 M CHG 1 7 1 M END > <Title> ZINC00213127 > <SMILES> C[C@@H]1CCCC[NH+]1Cc2ccc(cc2)C(=O)OC $$$$ C14H20NO2 MOLSOFT 11061513452D 17 19 0 0 1 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 2 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 N 0 3 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 6.8312 -5.3839 0.0000 O 0 0 0 8.2006 -5.6750 0.0000 C 0 0 0 8.9006 -4.4626 0.0000 O 0 0 0 2 1 1 1 2 3 1 3 4 1 5 4 1 2 6 1 5 6 1 5 7 1 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 15 16 1 17 12 1 16 17 1 M CHG 1 7 1 M END > <Title> ZINC00214016 > <SMILES> C[C@H]1CC[C@H](C1)[NH2+]Cc2ccc3c(c2)OCO3 $$$$ C14H22NO2 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 3 0.7077 3.7836 0.0000 C 0 0 0 0.4166 5.1531 0.0000 C 0 0 0 1.6290 5.8531 0.0000 C 0 0 2 2.6694 4.9163 0.0000 C 0 0 0 1.7754 7.2454 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 7 2 1 6 7 2 7 8 1 8 9 1 5 6 1 5 10 1 4 5 2 4 11 1 12 11 1 12 13 1 13 14 1 15 14 1 12 16 1 15 16 1 15 17 1 1 M CHG 1 12 1 M END > <Title> ZINC00214040 > <SMILES> Cc1cc(c(cc1OC)C)C[NH+]2CC[C@H](C2)O $$$$ C16H18NO MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 N 0 3 3 4.2000 -0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -0.0000 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 -0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 5 7 1 7 8 1 9 8 1 10 4 1 9 10 1 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 M CHG 1 9 1 M END > <Title> ZINC00214556 > <SMILES> c1ccc2c(c1)CC[NH+](C2)Cc3ccccc3O $$$$ C12H24NO MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 3 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 8 3 1 7 8 1 6 7 1 6 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M CHG 1 9 1 M END > <Title> ZINC00214736 > <SMILES> CCC1CCC(CC1)[NH+]2CCOCC2 $$$$ C13H26NO MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 3 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 1 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 8 3 1 7 8 1 6 7 1 6 9 1 9 10 1 11 10 1 1 11 12 1 12 13 1 13 14 1 11 15 1 14 15 1 M CHG 1 9 1 M END > <Title> ZINC00215450 > <SMILES> CCC1CCC(CC1)[NH2+]C[C@H]2CCCO2 $$$$ C15H23N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 3 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 9 4 1 8 9 1 7 8 1 7 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M CHG 1 7 1 M END > <Title> ZINC00216814 > <SMILES> CC(=O)N1CC[NH+](CC1)CCCc2ccccc2 $$$$ C14H18N3 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.9791 2.7552 0.0000 N 0 3 3 -1.9159 1.7148 0.0000 C 0 0 0 -3.2853 2.0059 0.0000 C 0 0 0 -3.7179 3.3373 0.0000 C 0 0 0 -5.0874 3.6284 0.0000 C 0 0 0 -5.5200 4.9599 0.0000 C 0 0 0 -4.5832 6.0003 0.0000 C 0 0 0 -3.2138 5.7092 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 2 1 5 6 1 3 4 1 3 7 1 8 7 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 8 17 1 16 17 1 M CHG 1 8 1 M END > <Title> ZINC00216852 > <SMILES> Cc1c(nc[nH]1)C[NH+]2CCc3ccccc3C2 $$$$ C13H17N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -3.7179 3.3373 0.0000 C 0 0 0 -3.2138 5.7092 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 1 5 6 2 6 7 1 7 8 2 9 4 1 8 9 1 10 2 1 9 10 2 3 4 1 3 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 15 17 1 M END > <Title> ZINC00217162 > <SMILES> Cc1c(n2ccccc2n1)C(=O)NCC(C)C $$$$ C13H18FN2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 N 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 2 14 16 1 3 4 2 3 17 1 M CHG 1 8 1 M END > <Title> ZINC00217886 > <SMILES> c1cc(ccc1C[NH+]2CCC(CC2)C(=O)N)F $$$$ C14H17FN2O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 N 0 0 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -3.5000 -6.0622 0.0000 O 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -0.1876 -7.9746 0.0000 C 0 0 0 -1.4000 -8.6746 0.0000 C 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 1 9 10 1 12 7 1 11 12 1 10 11 1 10 13 1 13 14 2 13 15 1 15 16 1 17 15 1 16 17 1 3 4 1 3 18 1 M END > <Title> ZINC00218564 > <SMILES> c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F $$$$ C12H22N3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 N 0 3 0 -2.7812 4.3777 0.0000 C 0 0 0 -3.6376 3.2702 0.0000 C 0 0 0 -5.0374 3.2493 0.0000 C 0 0 0 -5.9266 4.3307 0.0000 C 0 0 0 -5.6355 5.7001 0.0000 C 0 0 0 -4.3834 6.3263 0.0000 C 0 0 0 -3.1131 5.7378 0.0000 C 0 0 0 1 2 2 3 4 2 5 1 1 4 5 1 2 3 1 2 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 9 1 14 15 1 M CHG 1 8 1 M END > <Title> ZINC00220119 > <SMILES> c1c(nc[nH]1)CC[NH2+]C2CCCCCC2 $$$$ C13H26NO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 3 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 1 9 10 1 10 11 1 11 12 1 14 9 1 13 14 1 12 13 1 12 15 1 M CHG 1 8 1 M END > <Title> ZINC00221320 > <SMILES> CC1CCC(CC1)[NH2+]C2CCC(CC2)O $$$$ C12H17FN3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 N 0 3 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 O 0 0 0 -2.1000 -8.4870 0.0000 N 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 12 7 1 11 12 1 10 11 1 10 13 1 13 14 1 14 15 2 14 16 1 3 4 2 3 17 1 M CHG 1 10 1 M END > <Title> ZINC00224534 > <SMILES> c1cc(ccc1N2CC[NH+](CC2)CC(=O)N)F $$$$ C11H16N3O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 1.8617 3.4847 0.0000 C 0 0 0 1.7154 4.8770 0.0000 C 0 0 0 2.8480 5.6999 0.0000 N 0 3 0 4.1269 5.1305 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 1.4227 7.6617 0.0000 C 0 0 0 0.2901 6.8388 0.0000 O 0 0 0 1.2763 9.0540 0.0000 N 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 1 15 16 2 15 17 1 M CHG 1 11 1 M END > <Title> ZINC00224574 > <SMILES> c1cc(oc1)C(=O)N2CC[NH+](CC2)CC(=O)N $$$$ C10H11O3 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 11 13 1 M CHG 1 13 -1 M END > <Title> ZINC00225417 > <SMILES> CCOc1ccc(cc1)CC(=O)[O-] $$$$ C12H16N2O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 O 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 8 3 1 7 8 2 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00227427 > <SMILES> COc1ccccc1NC(=O)N2CCOCC2 $$$$ C16H23NO MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00227879 > <SMILES> CC(C)C(=O)N1CCC(CC1)Cc2ccccc2 $$$$ C10H13N3O3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 1.8617 3.4847 0.0000 C 0 0 0 1.7154 4.8770 0.0000 C 0 0 0 2.8480 5.6999 0.0000 N 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 O 0 0 0 1.4227 7.6617 0.0000 N 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 2 14 16 1 M END > <Title> ZINC00234851 > <SMILES> c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N $$$$ C13H10N2OS MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 N 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -0.4710 -6.0406 0.0000 C 0 0 0 -1.6834 -6.7406 0.0000 C 0 0 0 -2.8958 -6.0406 0.0000 C 0 0 0 -2.8958 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 C 0 0 0 -1.3923 -2.5712 0.0000 S 0 0 0 -4.1083 -6.7406 0.0000 N 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 15 7 1 14 15 1 12 13 2 12 16 1 3 4 2 3 17 1 M END > <Title> ZINC00235507 > <SMILES> c1cc(ccc1c2nc3ccc(cc3s2)N)O $$$$ C12H18N3O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M CHG 1 2 1 M END > <Title> ZINC00236021 > <SMILES> C[NH+]1CCN(CC1)C(=O)Nc2ccccc2 $$$$ C12H16N3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.8000 0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 14 15 3 M CHG 1 2 1 M END > <Title> ZINC00236863 > <SMILES> C[NH+]1CCN(CC1)c2ccc(cc2)C#N $$$$ C11H16NOS MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 S 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M CHG 1 9 1 M END > <Title> ZINC00237165 > <SMILES> c1cc(cc(c1)O)C[NH+]2CCSCC2 $$$$ C14H14O4 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 O 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 O 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 6 8 1 8 9 1 10 4 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 15 16 1 16 17 2 16 18 1 M END > <Title> ZINC00237751 > <SMILES> CCCc1cc(=O)oc2c1ccc(c2)OC(=O)C $$$$ C10H7O3 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 5.6000 -0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 7.7000 -1.2124 0.0000 O 0 0 0 7.7000 1.2124 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 3 10 11 1 11 12 2 11 13 1 M CHG 1 13 -1 M END > <Title> ZINC00237930 > <SMILES> COc1ccc(cc1)C#CC(=O)[O-] $$$$ C15H21N2 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 C 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 2.7457 -3.6222 0.0000 C 0 0 0 3.7861 -4.5590 0.0000 N 0 3 0 5.0815 -4.0281 0.0000 C 0 0 0 6.3043 -4.7099 0.0000 C 0 0 0 6.5337 -6.0910 0.0000 C 0 0 0 5.5969 -7.1314 0.0000 C 0 0 0 4.1994 -7.0477 0.0000 C 0 0 0 3.3935 -5.9029 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 9 4 1 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 11 1 16 17 1 M CHG 1 11 1 M END > <Title> ZINC00237940 > <SMILES> c1ccc2c(c1)c(c[nH]2)C[NH+]3CCCCCC3 $$$$ C14H26NO2 MOLSOFT 11061513452D 17 19 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.6229 1.1326 0.0000 O 0 0 0 4.9544 0.7000 0.0000 C 0 0 0 4.9544 -0.7000 0.0000 C 0 0 1 3.6229 -1.1326 0.0000 O 0 0 0 6.0870 -1.5229 0.0000 C 0 0 0 7.3660 -0.9535 0.0000 N 0 3 0 7.5123 0.4389 0.0000 C 0 0 0 8.7913 1.0083 0.0000 C 0 0 0 9.9239 0.1854 0.0000 C 0 0 0 9.7776 -1.2069 0.0000 C 0 0 0 8.4986 -1.7764 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 1 9 8 1 10 4 1 9 10 1 9 11 1 6 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M CHG 1 12 1 M END > <Title> ZINC00238636 > <SMILES> C1CCC2(CC1)OC[C@@H](O2)C[NH+]3CCCCC3 $$$$ C16H18NO MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 N 0 3 3 4.2000 -0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -0.0000 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 -0.0000 0.0000 C 0 0 0 9.1000 3.6373 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 5 7 1 7 8 1 9 8 1 10 4 1 9 10 1 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M CHG 1 9 1 M END > <Title> ZINC00238864 > <SMILES> c1ccc2c(c1)CC[NH+](C2)Cc3ccc(cc3)O $$$$ C12H17ClNO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 3 4 2 3 15 1 M CHG 1 8 1 M END > <Title> ZINC00239259 > <SMILES> c1cc(ccc1C[NH+]2CCC(CC2)O)Cl $$$$ C10H16NOS MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 3 0 1.8617 3.4847 0.0000 C 0 0 0 1.7154 4.8770 0.0000 C 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 2.7016 7.0922 0.0000 O 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 1 9 10 1 12 7 1 11 12 1 10 11 1 10 13 1 M CHG 1 7 1 M END > <Title> ZINC00239359 > <SMILES> c1cc(sc1)C[NH+]2CCC(CC2)O $$$$ C15H24NO MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 1 13 14 1 16 11 1 15 16 1 14 15 1 14 17 1 M CHG 1 11 1 M END > <Title> ZINC00239622 > <SMILES> CC(C)c1ccc(cc1)C[NH+]2CCC(CC2)O $$$$ C14H22N3O MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 1 -2.1000 1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 3 2 1 3 4 1 1 3 5 1 5 6 1 6 7 1 7 8 1 10 5 1 9 10 1 8 9 1 8 11 1 11 12 2 11 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M CHG 1 5 1 M END > <Title> ZINC00239832 > <SMILES> CC[C@@H](C)[NH+]1CCN(CC1)C(=O)c2ccncc2 $$$$ C12H19N2OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.3306 2.4914 0.0000 C 0 0 0 5.3710 3.4282 0.0000 C 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 S 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 1 9 4 1 8 9 1 7 8 1 7 10 1 10 11 2 10 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M CHG 1 4 1 M END > <Title> ZINC00239843 > <SMILES> CC(C)[NH+]1CCN(CC1)C(=O)c2cccs2 $$$$ C14H22NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 7 8 1 9 4 1 8 9 2 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 16 11 1 15 16 1 14 15 1 14 17 1 M CHG 1 11 1 M END > <Title> ZINC00240923 > <SMILES> CCOc1ccccc1C[NH+]2CCC(CC2)O $$$$ C13H20NOS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 S 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M CHG 1 11 1 M END > <Title> ZINC00241179 > <SMILES> CCOc1ccc(cc1)C[NH+]2CCSCC2 $$$$ C15H13O3 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 2 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 O 0 5 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 2 1 1 6 3 4 2 3 5 1 2 3 1 2 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M CHG 1 5 -1 M END > <Title> ZINC00241544 > <SMILES> C[C@H](C(=O)[O-])Oc1ccc(cc1)c2ccccc2 $$$$ C13H10O3S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 S 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 11 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 M END > <Title> ZINC00242114 > <SMILES> CC(=O)c1ccc(cc1)OC(=O)c2cccs2 $$$$ C11H11N2O3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 N 0 3 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 6 8 1 8 9 2 9 10 1 10 11 2 11 12 1 13 8 1 12 13 2 13 14 1 15 5 2 14 15 1 15 16 1 M CHG 1 7 1 M END > <Title> ZINC00244318 > <SMILES> CC(=O)Nc1c(=[NH2+])c2ccccc2oc1O $$$$ C12H17N3O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00244880 > <SMILES> CCOC(=O)C1CCN(CC1)c2cnccn2 $$$$ C8H7N3S MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.3306 2.4914 0.0000 N 0 0 0 5.3710 3.4282 0.0000 N 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 S 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 8 1 11 12 1 M END > <Title> ZINC00245038 > <SMILES> c1ccc(cc1)Nc2nncs2 $$$$ C14H15N3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 N 0 0 0 12.6000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 2 15 17 1 17 18 1 M END > <Title> ZINC00246085 > <SMILES> c1ccc(cc1)CNc2ccc(cc2)C(=O)NN $$$$ C14H17N3O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 N 0 0 0 6.7406 -1.6834 0.0000 C 0 0 0 6.7406 -0.2834 0.0000 O 0 0 0 7.9531 -2.3834 0.0000 C 0 0 0 9.1655 -1.6834 0.0000 C 0 0 0 10.3779 -2.3834 0.0000 C 0 0 0 10.3779 -3.7834 0.0000 C 0 0 0 9.1655 -4.4834 0.0000 C 0 0 0 7.9531 -3.7834 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 9 4 1 8 9 2 8 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00246853 > <SMILES> c1ccc2c(c1)[nH]c(n2)NC(=O)C3CCCCC3 $$$$ C9H13N3O3S MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.2000 1.4000 0.0000 O 0 0 0 4.2000 -1.4000 0.0000 O 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 12 7 1 11 12 2 10 11 1 10 13 1 13 14 2 13 15 2 13 16 1 M END > <Title> ZINC00246884 > <SMILES> CN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)N $$$$ C16H18NO MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 3 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M CHG 1 2 1 M END > <Title> ZINC00247383 > <SMILES> C[NH+](C)CC(=O)c1ccc(cc1)c2ccccc2 $$$$ C10H9N3O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 15 8 1 13 15 1 M END > <Title> ZINC00248341 > <SMILES> c1ccc(cc1)Nc2cc(=O)[nH]c(=O)[nH]2 $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 4 1 7 8 1 7 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00249566 > <SMILES> COCc1nnc(s1)NC(=O)c2ccccc2 $$$$ C6H9N3O2S MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 5 1 8 9 1 8 10 1 10 11 1 11 12 1 M END > <Title> ZINC00249675 > <SMILES> CC(=O)Nc1nnc(s1)COC $$$$ C13H17N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 15 10 1 14 15 1 13 14 1 13 16 1 16 17 2 16 18 1 M END > <Title> ZINC00249866 > <SMILES> c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N $$$$ C15H19NO MOLSOFT 11061513452D 17 19 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.7917 1.2688 0.0000 O 0 0 0 4.9000 -1.2124 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 2 6.7464 -2.1865 0.0000 C 0 0 0 5.5811 -2.6848 0.0000 C 0 0 1 5.2698 -4.0011 0.0000 C 0 0 0 4.8429 -2.9049 0.0000 C 0 0 0 4.9474 -1.6919 0.0000 C 0 0 2 3.8195 -1.0683 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 2 8 10 1 11 10 1 6 11 12 1 13 12 1 13 14 1 1 14 15 1 16 11 1 16 15 1 6 13 17 1 16 17 1 M END > <Title> ZINC00250141 > <SMILES> Cc1ccc(cc1)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3 $$$$ C11H11NOS MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 7.6712 6.2068 0.0000 O 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 M END > <Title> ZINC00250523 > <SMILES> c1cc(sc1)CNc2ccc(cc2)O $$$$ C14H15N3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 C 0 0 0 9.1000 -3.6373 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 4 5 1 4 18 1 M END > <Title> ZINC00253736 > <SMILES> Cc1cc(nc(c1)NC(=O)Nc2ccccc2)C $$$$ C14H18N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 C 0 0 0 9.1000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 15 10 1 14 15 1 13 14 1 13 16 1 16 17 2 16 18 1 M END > <Title> ZINC00255976 > <SMILES> Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N $$$$ C9H12N2O2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 M END > <Title> ZINC00257205 > <SMILES> CCOC(=O)NNc1ccccc1 $$$$ C9H14N4O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.9159 1.7148 0.0000 O 0 0 0 -1.4118 4.0867 0.0000 N 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -3.2138 5.7092 0.0000 C 0 0 0 -2.2770 6.7496 0.0000 C 0 0 0 -0.9076 6.4585 0.0000 C 0 0 0 -0.4750 5.1271 0.0000 C 0 0 0 1 2 1 2 3 1 4 5 1 6 2 2 5 6 1 3 4 2 3 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00257926 > <SMILES> Cc1c(non1)NC(=O)N2CCCCC2 $$$$ C8H7N3OS MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 S 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 1 10 5 2 9 10 1 9 11 2 11 12 1 13 8 2 12 13 1 M END > <Title> ZINC00258308 > <SMILES> CC(=O)Nc1ccc2c(c1)nsn2 $$$$ C8H6N2O2S MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 S 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 1 10 5 2 9 10 1 9 11 2 11 12 1 13 8 2 12 13 1 M END > <Title> ZINC00258314 > <SMILES> CC(=O)Oc1ccc2c(c1)nsn2 $$$$ C13H20NO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 11 1 14 15 1 M CHG 1 10 1 M END > <Title> ZINC00263262 > <SMILES> COc1ccc(cc1)C[NH2+]C2CCCC2 $$$$ C14H17N2O MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 N 0 3 0 -0.1229 2.5047 0.0000 C 0 0 0 -1.4544 2.9373 0.0000 C 0 0 0 -1.4544 4.3373 0.0000 C 0 0 0 -0.1229 4.7699 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 5 6 1 6 7 2 8 3 1 8 9 2 10 1 2 9 10 1 7 8 1 7 11 1 4 5 2 4 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 13 1 16 17 1 M CHG 1 13 1 M END > <Title> ZINC00265206 > <SMILES> c1cc2c(ccc(c2nc1)O)C[NH+]3CCCC3 $$$$ C8H15NO2 MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 3 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 M CHG 2 4 1 11 -1 M END > <Title> ZINC00265638 > <SMILES> C1CC[NH+](CC1)CCC(=O)[O-] $$$$ C14H15N3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 N 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00265863 > <SMILES> CN(C)c1ccc(cc1)C(=O)Nc2ccncc2 $$$$ C13H13NO3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 2 7 8 1 10 6 1 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00266303 > <SMILES> CCOC(=O)c1cc(no1)c2ccc(cc2)C $$$$ C12H10FNO3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 6.6849 3.9916 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 2 7 8 1 10 6 1 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00266304 > <SMILES> CCOC(=O)c1cc(no1)c2ccc(cc2)F $$$$ C13H17NO2 MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 2 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 7.4870 1.5229 0.0000 O 0 0 0 6.3544 -0.7000 0.0000 N 0 0 0 5.0229 -1.1326 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 11 8 1 6 11 12 1 12 13 1 13 14 2 13 15 1 11 16 1 15 16 1 M END > <Title> ZINC00266573 > <SMILES> CC(C)Oc1ccc(cc1)[C@@H]2CC(=O)NC2 $$$$ C14H13NO3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 6 7 1 6 9 1 9 10 2 9 11 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 11 12 1 11 18 1 M END > <Title> ZINC00267946 > <SMILES> COc1ccc(cc1)C(=O)N(c2ccccc2)O $$$$ C12H13FNO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 F 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 0.7077 6.2085 0.0000 C 0 0 0 0.4166 7.5779 0.0000 C 0 0 0 1.6290 8.2779 0.0000 C 0 0 0 2.6694 7.3411 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 11 1 14 15 1 M CHG 1 9 1 M END > <Title> ZINC00268556 > <SMILES> c1cc(cc(c1)F)C[NH2+]Cc2ccco2 $$$$ C11H15NO2S MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.8000 -0.0000 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 S 0 0 0 -1.4000 -1.4000 0.0000 O 0 0 0 -1.4000 1.4000 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.5318 2.5020 0.0000 C 0 0 0 1.5722 3.4388 0.0000 C 0 0 0 2.9037 3.0062 0.0000 C 0 0 0 3.1948 1.6368 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 1 0.3903 -2.4641 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 2 3 6 1 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 2 12 13 1 14 6 1 14 13 1 14 15 1 1 M END > <Title> ZINC00268629 > <SMILES> CCS(=O)(=O)N1c2ccccc2C[C@H]1C $$$$ C14H10N2O2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 N 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 O 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 1.5229 0.0000 C 0 0 0 7.3407 2.9152 0.0000 C 0 0 0 8.4733 3.7381 0.0000 C 0 0 0 9.7522 3.1687 0.0000 C 0 0 0 9.8986 1.7764 0.0000 C 0 0 0 8.7660 0.9535 0.0000 C 0 0 0 8.9123 -0.4389 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 11 7 2 10 11 1 9 10 1 9 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 M END > <Title> ZINC00271638 > <SMILES> c1ccc(cc1)c2nc(on2)c3ccccc3O $$$$ C9H14ClN5O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 N 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 7 8 2 9 4 2 8 9 1 8 10 1 6 7 1 6 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00272218 > <SMILES> CCNc1nc(nc(n1)Cl)N2CCOCC2 $$$$ C13H17N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.5318 2.5020 0.0000 C 0 0 0 1.5722 3.4388 0.0000 C 0 0 0 2.9037 3.0062 0.0000 C 0 0 0 3.1948 1.6368 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 N 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 2.6965 -3.2134 0.0000 O 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 1.8312 -5.8764 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 10 11 1 12 4 1 11 12 2 12 13 1 13 14 1 14 15 2 14 16 1 16 17 1 M END > <Title> ZINC00274846 > <SMILES> CCCn1c2ccccc2nc1NC(=O)CC $$$$ C14H19NO MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 2 -4.2000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 1.2124 0.7000 0.0000 C 0 0 0 1.2124 -0.7000 0.0000 C 0 0 1 1.9124 -1.9124 0.0000 C 0 0 0 3.3124 -1.9124 0.0000 C 0 0 0 4.0124 -3.1249 0.0000 C 0 0 0 3.3124 -4.3373 0.0000 C 0 0 0 1.9124 -4.3373 0.0000 C 0 0 0 1.2124 -3.1249 0.0000 C 0 0 0 1 2 1 3 2 1 3 4 1 6 3 5 1 5 6 1 6 7 2 8 6 1 6 8 9 1 10 8 1 10 9 1 10 11 1 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC00276329 > <SMILES> CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c2ccccc2 $$$$ C13H20NO3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 8 9 1 9 10 1 6 7 1 6 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M CHG 1 12 1 M END > <Title> ZINC00277754 > <SMILES> COc1ccc(cc1OC)C[NH+]2CCOCC2 $$$$ C11H15ClNO MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 O 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M CHG 1 9 1 M END > <Title> ZINC00277870 > <SMILES> c1cc(cc(c1)Cl)C[NH+]2CCOCC2 $$$$ C14H18NO MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 N 0 3 3 4.7123 0.4389 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 7.1239 0.1854 0.0000 C 0 0 0 8.4029 0.7548 0.0000 C 0 0 0 9.5355 -0.0681 0.0000 C 0 0 0 9.3891 -1.4604 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 2 1 5 6 1 5 7 1 8 7 1 8 9 1 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M CHG 1 8 1 M END > <Title> ZINC00278104 > <SMILES> Cc1ccc(o1)C[NH+](C)Cc2ccccc2 $$$$ C11H16NO2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 3 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 13 8 1 12 13 1 4 5 1 4 14 1 M CHG 1 8 1 M END > <Title> ZINC00278193 > <SMILES> c1ccc(c(c1)C[NH+]2CCOCC2)O $$$$ C13H19N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M CHG 1 12 1 M END > <Title> ZINC00278409 > <SMILES> CC(=O)Nc1ccc(cc1)C[NH+]2CCOCC2 $$$$ C12H18NO MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 3 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M CHG 1 9 1 M END > <Title> ZINC00278435 > <SMILES> Cc1cccc(c1)C[NH+]2CCOCC2 $$$$ C11H15FNO MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 F 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 O 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M CHG 1 9 1 M END > <Title> ZINC00279455 > <SMILES> c1cc(cc(c1)F)C[NH+]2CCOCC2 $$$$ C16H27N2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -1.4000 1.4000 0.0000 C 0 0 0 -2.8000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 3 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 N 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 1 7 8 1 10 5 1 9 10 1 8 9 1 8 11 1 11 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M CHG 1 11 1 M END > <Title> ZINC00279845 > <SMILES> CC(C)(C)C1CCC(CC1)[NH2+]Cc2ccncc2 $$$$ C14H15FN MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 6.0622 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M CHG 1 8 1 M END > <Title> ZINC00280823 > <SMILES> c1ccc(cc1)C[NH2+]Cc2ccc(cc2)F $$$$ C15H16N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.0725 0.8999 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 5.6000 4.8497 0.0000 N 0 0 0 -1.0725 -0.8999 0.0000 C 0 0 0 1 2 1 3 4 1 5 6 1 6 7 2 8 2 1 6 8 1 4 5 2 4 9 1 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 16 17 3 2 3 1 2 18 1 M END > <Title> ZINC00281404 > <SMILES> CC1(CC(=CC(=O)C1)Nc2ccccc2C#N)C $$$$ C12H21N2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 3 0 1.5876 3.1249 0.0000 C 0 0 0 4.0124 1.7249 0.0000 C 0 0 0 3.5000 3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 7 2 2 7 8 1 8 9 1 6 7 1 6 10 1 4 5 1 4 11 1 11 12 1 11 13 1 11 14 1 M CHG 1 11 1 M END > <Title> ZINC00282353 > <SMILES> Cc1cc(cc(c1NC)C)[N+](C)(C)C $$$$ C9H9N5OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 N 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 3 1 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC00283686 > <SMILES> CCc1nnc(s1)NC(=O)c2cnccn2 $$$$ C10H8F3NO3 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 6.3000 2.6124 0.0000 F 0 0 0 6.3000 -0.1876 0.0000 F 0 0 0 7.7000 1.2124 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 12 14 1 14 15 1 14 16 1 14 17 1 M END > <Title> ZINC00283931 > <SMILES> COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F $$$$ C11H12N4O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.0000 -4.8497 0.0000 N 0 0 0 8.3923 -4.9961 0.0000 C 0 0 0 8.6834 -6.3655 0.0000 N 0 0 0 7.4710 -7.0655 0.0000 N 0 0 0 6.4306 -6.1287 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 17 13 1 16 17 2 M END > <Title> ZINC00284149 > <SMILES> Cc1cccc(c1)OCC(=O)Nn2cnnc2 $$$$ C12H17N2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -3.3124 -0.5124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -0.8876 -1.9124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 -2.8000 -2.4249 0.0000 N 0 3 0 1 2 1 2 3 1 4 5 1 5 6 2 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 13 5 1 12 13 1 2 4 1 2 14 1 M CHG 1 14 1 M END > <Title> ZINC00285201 > <SMILES> CC(C)(Cc1cc2ccccc2[nH]1)[NH3+] $$$$ C13H17NO3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -6.3000 -1.2124 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 O 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00285400 > <SMILES> CC(C)CC(=O)NCc1ccc2c(c1)OCO2 $$$$ C14H13N3O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.2923 -3.7836 0.0000 N 0 0 0 6.5834 -5.1531 0.0000 C 0 0 0 7.7958 -5.8531 0.0000 C 0 0 0 7.7958 -7.2531 0.0000 C 0 0 0 6.5834 -7.9531 0.0000 C 0 0 0 5.3710 -7.2531 0.0000 C 0 0 0 5.3710 -5.8531 0.0000 C 0 0 0 4.3306 -4.9163 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 17 9 2 16 17 1 4 5 1 4 18 1 M END > <Title> ZINC00285476 > <SMILES> c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O $$$$ C14H12FNO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 7 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 M END > <Title> ZINC00288534 > <SMILES> COc1cccc(c1)C(=O)Nc2ccccc2F $$$$ C9H16ClN5 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.3124 -0.5124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -0.8876 -1.9124 0.0000 C 0 0 0 -2.8000 -2.4249 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 N 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 1 7 8 2 9 10 2 11 6 2 10 11 1 10 12 1 8 9 1 8 13 1 13 14 1 13 15 1 M END > <Title> ZINC00288964 > <SMILES> CC(C)(C)Nc1nc(nc(n1)Cl)N(C)C $$$$ C14H14N2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00289523 > <SMILES> CC(=O)Nc1ccc(cc1)Nc2ccccc2 $$$$ C14H11N3O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.3368 3.4653 0.0000 C 0 0 0 10.6157 2.8958 0.0000 C 0 0 0 10.4694 1.5035 0.0000 N 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 2 7 9 1 9 10 1 10 11 2 11 12 1 12 13 1 13 14 2 14 15 1 16 12 2 15 16 1 16 17 1 18 10 1 17 18 2 M END > <Title> ZINC00289948 > <SMILES> c1ccc(cc1)C(=O)Nc2cc3cc[nH]c3cn2 $$$$ C8H7N3O2 MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.2674 -2.5439 0.0000 N 0 0 0 1.4000 -3.3668 0.0000 O 0 0 0 2.5326 -2.5439 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 5 1 9 10 1 10 11 2 11 12 1 13 9 2 12 13 1 M END > <Title> ZINC00291833 > <SMILES> CC(=O)Nc1cccc2c1non2 $$$$ C11H11NO MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 4.1269 -5.1305 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 2 1 5 6 1 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 11 13 1 M END > <Title> ZINC00295248 > <SMILES> Cc1ccc(o1)c2cccc(c2)N $$$$ C10H16NO MOLSOFT 11061513452D 12 12 0 0 1 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 1 4.9000 -1.2124 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 10 7 1 10 11 1 6 10 12 1 M CHG 1 12 1 M END > <Title> ZINC00295638 > <SMILES> CCOc1ccc(cc1)[C@@H](C)[NH3+] $$$$ C10H11N3O3 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 8 9 2 10 5 2 9 10 1 9 11 1 11 12 2 11 13 1 7 8 1 7 14 1 14 15 2 14 16 1 M END > <Title> ZINC00296419 > <SMILES> CC(=O)Nc1cc(cc(c1)C(=O)N)C(=O)N $$$$ C10H10FN MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.5318 -2.5020 0.0000 C 0 0 0 1.5722 -3.4388 0.0000 C 0 0 0 2.9037 -3.0062 0.0000 C 0 0 0 3.1948 -1.6368 0.0000 C 0 0 0 1.2811 -4.8082 0.0000 F 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 1 6 2 1 5 6 2 6 7 1 7 8 2 10 5 1 9 10 2 8 9 1 8 11 1 3 4 1 3 12 1 M END > <Title> ZINC00296612 > <SMILES> Cc1c([nH]c2c1cc(cc2)F)C $$$$ C10H11NOS MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 S 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 8 10 1 10 11 1 12 7 1 11 12 2 11 13 1 M END > <Title> ZINC00298393 > <SMILES> CCOc1ccc2c(c1)sc(n2)C $$$$ C13H18NO3 MOLSOFT 11061513452D 17 19 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 1 2.0923 -6.2085 0.0000 C 0 0 0 2.3834 -7.5779 0.0000 C 0 0 0 1.1710 -8.2779 0.0000 C 0 0 0 0.1306 -7.3411 0.0000 O 0 0 0 4.1694 0.2911 0.0000 O 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 10 9 1 1 10 11 1 11 12 1 12 13 1 10 14 1 13 14 1 4 5 1 4 15 1 15 16 1 17 3 1 16 17 1 M CHG 1 8 1 M END > <Title> ZINC00299710 > <SMILES> c1cc2c(cc1C[NH2+]C[C@H]3CCCO3)OCO2 $$$$ C14H12FNO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 M END > <Title> ZINC00299931 > <SMILES> COc1ccc(cc1)C(=O)Nc2ccccc2F $$$$ C13H16N2O3 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.2870 1.5229 0.0000 O 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 O 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 3 1 6 5 6 1 6 7 1 7 8 2 7 9 1 5 10 1 9 10 1 9 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 17 18 1 M END > <Title> ZINC00300290 > <SMILES> CNC(=O)[C@@H]1CC(=O)N(C1)c2ccc(cc2)OC $$$$ C15H22N3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.5318 2.5020 0.0000 C 0 0 0 1.5722 3.4388 0.0000 C 0 0 0 2.9037 3.0062 0.0000 C 0 0 0 3.1948 1.6368 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 1.3271 -3.5045 0.0000 N 0 3 0 0.8944 -4.8360 0.0000 C 0 0 0 1.8312 -5.8764 0.0000 C 0 0 0 1.3986 -7.2079 0.0000 C 0 0 0 0.0292 -7.4989 0.0000 C 0 0 0 -0.9076 -6.4585 0.0000 C 0 0 0 -0.4750 -5.1271 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 8 9 1 10 2 1 9 10 2 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M CHG 1 12 1 M END > <Title> ZINC00301608 > <SMILES> Cn1c2ccccc2nc1C[NH2+]C3CCCCC3 $$$$ C9H11N5 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -3.2138 5.7092 0.0000 C 0 0 0 -2.2770 6.7496 0.0000 C 0 0 0 -0.9076 6.4585 0.0000 C 0 0 0 -0.4750 5.1271 0.0000 C 0 0 0 1 2 1 2 3 1 4 5 1 6 2 1 5 6 2 3 4 2 3 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 M END > <Title> ZINC00301651 > <SMILES> Cn1c(nnn1)NCc2ccccc2 $$$$ C13H22N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 O 0 0 0 6.3000 6.0622 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 14 9 1 13 14 1 12 13 1 12 15 1 15 16 2 15 17 1 M END > <Title> ZINC00302145 > <SMILES> C1CCC(CC1)C(=O)N2CCC(CC2)C(=O)N $$$$ C6H13NO2S MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -3.3124 -0.5124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 S 0 0 0 -0.8876 -1.9124 0.0000 O 0 0 0 -2.8000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 2 2 5 1 5 6 1 6 7 1 7 8 1 8 9 1 10 6 1 9 10 1 M END > <Title> ZINC00304622 > <SMILES> CS(=O)(=O)NC1CCCC1 $$$$ C9H7F3N2O2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 1.5876 5.5497 0.0000 F 0 0 0 4.0124 4.1497 0.0000 F 0 0 0 3.5000 6.0622 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 7 9 1 3 4 2 3 10 1 10 11 1 11 12 2 11 13 1 13 14 1 13 15 1 13 16 1 M END > <Title> ZINC00306049 > <SMILES> c1cc(ccc1C(=O)N)NC(=O)C(F)(F)F $$$$ C11H17N3OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 6 1 9 10 1 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00311350 > <SMILES> CCC(=O)Nc1nnc(s1)C2CCCCC2 $$$$ C14H18N2O2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -0.0000 -6.2497 0.0000 C 0 0 0 -1.2124 -5.5497 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 12 10 1 11 12 1 3 4 1 3 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00313537 > <SMILES> c1cc(ccc1NC(=O)C2CC2)N3CCOCC3 $$$$ C11H16NO3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 N 0 3 0 4.8570 0.4159 0.0000 C 0 0 0 6.2494 0.5623 0.0000 C 0 0 0 6.8188 -0.7167 0.0000 C 0 0 0 5.7784 -1.6535 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 2 6 7 1 7 8 2 9 5 1 8 9 1 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 11 1 14 15 1 M CHG 1 11 1 M END > <Title> ZINC00315188 > <SMILES> COC(=O)c1ccc(o1)C[NH+]2CCCC2 $$$$ C12H14FNO2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 2.0923 -6.2085 0.0000 C 0 0 0 2.3834 -7.5779 0.0000 C 0 0 0 1.1710 -8.2779 0.0000 C 0 0 0 0.1306 -7.3411 0.0000 C 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 15 11 1 14 15 1 3 4 1 3 16 1 M END > <Title> ZINC00316079 > <SMILES> c1cc(ccc1OCC(=O)N2CCCC2)F $$$$ C8H11NO3 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 O 0 0 0 4.5660 -0.9535 0.0000 O 0 5 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 5 1 8 9 1 8 10 1 10 11 2 10 12 1 M CHG 2 2 1 12 -1 M END > <Title> ZINC00316386 > <SMILES> C[NH+](C)Cc1ccc(o1)C(=O)[O-] $$$$ C11H12N2O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 6.6849 3.9916 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 8 4 2 7 8 1 6 7 1 6 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 M END > <Title> ZINC00319202 > <SMILES> CCCc1nc(on1)c2ccc(cc2)O $$$$ C14H13NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 8 9 1 10 5 1 9 10 2 10 11 1 7 8 2 7 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00319638 > <SMILES> CC(=O)Nc1cc(ccc1O)c2ccccc2 $$$$ C13H12N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 4.9000 3.6373 0.0000 N 0 0 0 4.9000 8.4870 0.0000 C 0 0 0 6.3000 8.4870 0.0000 O 0 0 0 4.2000 9.6995 0.0000 O 0 5 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 3 4 1 3 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 14 9 1 13 14 2 14 15 1 12 13 1 12 16 1 16 17 2 16 18 1 M CHG 1 18 -1 M END > <Title> ZINC00319713 > <SMILES> c1cc(cnc1)CNc2ccc(cc2N)C(=O)[O-] $$$$ C13H12N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 3.6373 0.0000 O 0 5 0 4.9000 8.4870 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 3 4 1 3 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 14 9 1 13 14 2 14 15 1 15 16 2 15 17 1 12 13 1 12 18 1 M CHG 1 17 -1 M END > <Title> ZINC00319716 > <SMILES> c1cc(cnc1)CNc2ccc(cc2C(=O)[O-])N $$$$ C13H15N3S MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 S 0 0 0 -1.6834 -3.9406 0.0000 C 0 0 0 -1.3923 -2.5712 0.0000 N 0 0 0 -2.9624 -4.5100 0.0000 N 0 0 0 -3.2534 -5.8795 0.0000 C 0 0 0 -4.6458 -6.0258 0.0000 C 0 0 0 -5.2152 -4.7468 0.0000 C 0 0 0 -4.1748 -3.8100 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 8 9 1 9 10 1 11 7 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 1 16 12 1 15 16 1 3 4 2 3 17 1 M END > <Title> ZINC00321689 > <SMILES> c1cc(ccc1c2csc(n2)N3CCCC3)N $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 5 1 8 9 1 8 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00322331 > <SMILES> CC(=O)Nc1nnc(s1)COc2ccccc2 $$$$ C12H13N3O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 12 13 1 13 14 2 13 15 1 15 16 1 16 17 2 18 11 1 16 18 1 M END > <Title> ZINC00322353 > <SMILES> CCOc1ccc(cc1)Nc2cc(=O)[nH]c(=O)[nH]2 $$$$ C7H12N4O MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 N 0 0 0 6.3544 -0.7000 0.0000 O 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 4.5903 2.4641 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 1 9 10 1 11 7 2 10 11 1 8 9 2 8 12 1 M END > <Title> ZINC00322796 > <SMILES> C1CCN(CC1)c2c(non2)N $$$$ C8H8N2OS MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 S 0 0 0 5.5282 -2.3834 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 7 9 1 9 10 2 11 6 1 10 11 1 10 12 1 M END > <Title> ZINC00323233 > <SMILES> COc1ccc2c(c1)nc(s2)N $$$$ C12H12N2O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 O 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 4 5 2 4 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00323795 > <SMILES> Cc1nc(c(s1)NC(=O)OC)c2ccccc2 $$$$ C9H8ClN5O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 2.0923 -6.2085 0.0000 C 0 0 0 2.3834 -7.5779 0.0000 N 0 0 0 1.1710 -8.2779 0.0000 N 0 0 0 0.1306 -7.3411 0.0000 C 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 15 11 1 14 15 2 3 4 2 3 16 1 M END > <Title> ZINC00329883 > <SMILES> c1cc(ccc1NC(=O)Nn2cnnc2)Cl $$$$ C14H10O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -6.3000 -1.2124 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 O 0 0 0 -4.2000 0.0000 0.0000 C 0 0 0 -4.9000 1.2124 0.0000 O 0 0 0 -2.8000 0.0000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 3 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 16 7 2 15 16 1 M END > <Title> ZINC00330282 > <SMILES> COC(=O)C#Cc1ccc2ccccc2c1 $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 5.7917 -1.4000 0.0000 C 0 0 0 5.7917 -2.8000 0.0000 O 0 0 0 7.0041 -0.7000 0.0000 N 0 0 0 8.2166 -1.4000 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 13 5 1 12 13 1 10 11 2 10 14 1 14 15 2 14 16 1 16 17 1 M END > <Title> ZINC00330495 > <SMILES> CC(=O)Nc1nc2ccc(cc2s1)C(=O)NC $$$$ C5H7N3 MOLSOFT 11061513452D 8 8 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 N 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 M END > <Title> ZINC00330858 > <SMILES> CNc1ncccn1 $$$$ C10H8N2 MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 M END > <Title> ZINC00331228 > <SMILES> c1ccc(cc1)c2ccnnc2 $$$$ C14H11N3O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 N 0 0 0 6.3544 0.7000 0.0000 N 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 O 0 0 0 7.4870 -1.5229 0.0000 C 0 0 0 8.7660 -0.9535 0.0000 C 0 0 0 9.8986 -1.7764 0.0000 C 0 0 0 9.7522 -3.1687 0.0000 C 0 0 0 8.4733 -3.7381 0.0000 C 0 0 0 7.3407 -2.9152 0.0000 C 0 0 0 10.8849 -3.9916 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC00333225 > <SMILES> c1ccc(cc1)c2nnc(o2)c3ccc(cc3)N $$$$ C13H19N2 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 2 0.7000 6.0622 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 C 0 0 0 0.7000 8.4870 0.0000 C 0 0 0 2.1000 8.4870 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 3 4 1 3 7 1 7 8 1 8 9 1 10 9 1 6 10 11 1 11 12 1 12 13 1 13 14 2 10 15 1 14 15 1 M CHG 1 8 1 M END > <Title> ZINC00333236 > <SMILES> c1cc(cnc1)C[NH2+]C[C@@H]2CCC=CC2 $$$$ C6H12N2OS2 MOLSOFT 11061513452D 11 11 0 0 1 0 0 0 0 0999 V2000 -1.0404 0.9368 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 1 2.1544 0.7000 0.0000 S 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 -0.9791 2.7552 0.0000 O 0 0 0 -1.0404 -0.9368 0.0000 C 0 0 0 1 2 1 4 5 1 5 6 2 7 2 1 5 7 1 7 8 1 3 4 1 3 9 1 6 9 10 1 3 2 1 2 11 1 M END > <Title> ZINC00333336 > <SMILES> CC1([C@@H](SC(=S)N1C)NO)C $$$$ C10H10N4O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 9.2229 3.5575 0.0000 C 0 0 0 10.5544 3.1249 0.0000 N 0 0 0 10.5544 1.7249 0.0000 N 0 0 0 9.2229 1.2922 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 16 12 1 15 16 2 M END > <Title> ZINC00333594 > <SMILES> c1ccc(cc1)OCC(=O)Nn2cnnc2 $$$$ C11H9N4O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 O 0 5 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 7 9 1 4 5 1 4 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 15 17 1 M CHG 1 9 -1 M END > <Title> ZINC00333609 > <SMILES> c1ccc(c(c1)C(=O)[O-])Nc2ccnc(n2)N $$$$ C6H8N2O3 MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 1 7 8 2 7 9 1 10 4 1 9 10 1 10 11 2 M END > <Title> ZINC00334157 > <SMILES> COCc1c[nH]c(=O)[nH]c1=O $$$$ C5H6N2O MOLSOFT 11061513452D 8 8 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 M END > <Title> ZINC00334489 > <SMILES> COc1cncnc1 $$$$ C9H17N3O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 2 12 14 1 M END > <Title> ZINC00334965 > <SMILES> CCNC(=O)N1CCN(CC1)C(=O)C $$$$ C12H16N2O2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 2.6124 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 C 0 0 0 -3.5000 -0.1876 0.0000 C 0 0 0 -4.9000 1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 13 8 1 12 13 2 13 14 1 14 15 2 14 16 1 M END > <Title> ZINC00335497 > <SMILES> CC(C)(C)C(=O)Nc1ccccc1C(=O)N $$$$ C7H11N3O2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 11 12 1 M END > <Title> ZINC00337587 > <SMILES> CNC(=O)OCc1nccn1C $$$$ C14H13NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 N 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 5 6 1 5 17 1 M END > <Title> ZINC00338718 > <SMILES> Cc1ccc(c(c1)OC(=O)c2ccncc2)C $$$$ C15H13O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 O 0 5 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 6.0622 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 1 9 10 2 9 11 1 3 4 1 3 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M CHG 1 11 -1 M END > <Title> ZINC00339196 > <SMILES> c1cc(ccc1CCC(=O)[O-])c2ccc(cc2)O $$$$ C11H15N5O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 N 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 4 5 1 5 6 1 7 2 2 6 7 1 6 8 2 9 10 2 11 5 2 10 11 1 10 12 1 8 9 1 8 13 1 13 14 1 14 15 1 14 16 1 3 4 2 3 17 1 M END > <Title> ZINC00339495 > <SMILES> Cc1c(nc2c(n1)c(nc(n2)N)OC(C)C)C $$$$ C13H12FNO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 6.2459 8.1686 0.0000 C 0 0 0 7.5248 7.5992 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 8.6574 8.4221 0.0000 F 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00339915 > <SMILES> c1cc(oc1)C(=O)NCCc2ccc(cc2)F $$$$ C11H15NO2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 M END > <Title> ZINC00342142 > <SMILES> Cc1ccc(cc1)CNC(=O)COC $$$$ C11H10N4O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 N 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 8.4000 -2.4249 0.0000 N 0 0 0 8.4000 0.0000 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 11 13 1 13 14 2 13 15 1 10 11 2 10 16 1 M END > <Title> ZINC00343530 > <SMILES> c1ccc(cc1)c2cnc(c(n2)C(=O)N)N $$$$ C12H16N3O MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 C 0 0 0 6.7406 -1.6834 0.0000 N 0 3 0 6.7406 -0.2834 0.0000 C 0 0 0 7.9531 0.4166 0.0000 C 0 0 0 9.1655 -0.2834 0.0000 O 0 0 0 9.1655 -1.6834 0.0000 C 0 0 0 7.9531 -2.3834 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 9 4 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M CHG 1 11 1 M END > <Title> ZINC00344445 > <SMILES> c1ccc2c(c1)[nH]c(n2)C[NH+]3CCOCC3 $$$$ C10H7ClO2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -6.3000 -1.2124 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 O 0 0 0 -4.2000 0.0000 0.0000 C 0 0 0 -4.9000 1.2124 0.0000 O 0 0 0 -2.8000 0.0000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 3 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 M END > <Title> ZINC00345417 > <SMILES> COC(=O)C#Cc1ccc(cc1)Cl $$$$ C16H23NO MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -1.4000 1.4000 0.0000 C 0 0 0 -2.8000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 1 7 8 1 10 5 1 9 10 1 8 9 1 8 11 1 11 12 2 11 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00346025 > <SMILES> CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 $$$$ C8H12N6S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 N 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 S 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 1.4000 4.8497 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 7 8 2 9 4 2 8 9 1 8 10 1 10 11 1 6 7 1 6 12 1 12 13 1 12 14 1 14 15 3 M END > <Title> ZINC00346071 > <SMILES> CN(C)c1nc(nc(n1)SC)N(C)C#N $$$$ C10H13N2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 3 M CHG 1 2 1 M END > <Title> ZINC00346211 > <SMILES> C[NH+](C)Cc1ccc(cc1)C#N $$$$ C11H16N4O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00346493 > <SMILES> CCOC(=O)N1CCN(CC1)c2ncccn2 $$$$ C12H11FN2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 O 0 0 0 4.1269 5.1305 0.0000 N 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 6.2459 8.1686 0.0000 C 0 0 0 7.5248 7.5992 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 8.6574 8.4221 0.0000 F 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00347383 > <SMILES> c1cc(oc1)CNC(=O)Nc2ccc(cc2)F $$$$ C11H18NO MOLSOFT 11061513452D 13 13 0 0 1 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 1 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 3 0 -4.2000 -0.0000 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 2 1 1 6 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 2 3 1 2 11 1 11 12 1 11 13 1 M CHG 1 11 1 M END > <Title> ZINC00347523 > <SMILES> C[C@@H](Cc1ccc(cc1)O)[NH+](C)C $$$$ C10H11O5 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 8 3 2 8 9 1 9 10 1 7 8 1 7 11 1 11 12 1 5 6 1 5 13 1 13 14 2 13 15 1 M CHG 1 15 -1 M END > <Title> ZINC00347833 > <SMILES> COc1cc(cc(c1OC)OC)C(=O)[O-] $$$$ C9H11N3O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 9 11 1 11 12 1 12 13 2 12 14 1 M END > <Title> ZINC00349236 > <SMILES> CC(=O)Nc1cccc(c1)NC(=O)N $$$$ C12H12N2O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 11 7 1 10 11 1 9 10 2 9 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00355189 > <SMILES> COCC(=O)Nc1nc(cs1)c2ccccc2 $$$$ C12H14N4O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 O 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 C 0 0 0 5.1132 7.3457 0.0000 N 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 7 3 1 6 7 2 5 6 1 5 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00355878 > <SMILES> CCn1cc(cn1)CNC(=O)c2cccnc2 $$$$ C10H14ClN3O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 Cl 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.9159 1.7148 0.0000 C 0 0 0 -3.2853 2.0059 0.0000 C 0 0 0 -3.7179 3.3373 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 1 2 1 2 3 1 6 2 1 5 6 2 4 5 1 4 7 1 3 4 2 3 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00355961 > <SMILES> Cn1c(c(cn1)Cl)C(=O)N2CCCCC2 $$$$ C15H12N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 C 0 0 0 9.8000 -2.4249 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 15 17 1 17 18 3 M END > <Title> ZINC00357343 > <SMILES> Cc1ccc(cc1)C(=O)Nc2cccc(c2)C#N $$$$ C14H19NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00357470 > <SMILES> c1ccc(cc1)OCC(=O)NC2CCCCC2 $$$$ C12H17FNO MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 1 2.0923 -6.2085 0.0000 C 0 0 0 2.3834 -7.5779 0.0000 C 0 0 0 1.1710 -8.2779 0.0000 C 0 0 0 0.1306 -7.3411 0.0000 O 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 10 9 1 1 10 11 1 11 12 1 12 13 1 10 14 1 13 14 1 3 4 2 3 15 1 M CHG 1 8 1 M END > <Title> ZINC00357574 > <SMILES> c1cc(ccc1C[NH2+]C[C@H]2CCCO2)F $$$$ C13H16N2OS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 S 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 11 12 1 13 8 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00358861 > <SMILES> CCC(=O)NC(=S)N1CCCc2c1cccc2 $$$$ C12H14N2O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 N 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 O 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 2 17 11 1 15 17 1 M END > <Title> ZINC00359136 > <SMILES> c1ccc(cc1)OCC(=O)N2CCNC(=O)C2 $$$$ C16H12N2O MOLSOFT 11061513452D 19 21 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 C 0 0 0 10.5000 -1.2124 0.0000 C 0 0 0 11.2000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 1 15 10 2 14 15 1 14 16 2 16 17 1 17 18 2 19 13 2 18 19 1 M END > <Title> ZINC00359137 > <SMILES> c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3 $$$$ C10H16N2O2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 O 0 0 0 4.5660 -0.9535 0.0000 N 0 0 0 4.7123 0.4389 0.0000 C 0 0 0 5.9913 1.0083 0.0000 C 0 0 0 7.1239 0.1854 0.0000 N 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 5 1 1 4 5 1 4 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 2 14 8 1 12 14 1 M END > <Title> ZINC00359210 > <SMILES> C1CCC(C1)C(=O)N2CCNC(=O)C2 $$$$ C14H15NO MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M END > <Title> ZINC00359752 > <SMILES> Cc1ccc(cc1)CNc2ccc(cc2)O $$$$ C10H18NOS MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 1.3271 -3.5045 0.0000 N 0 3 0 0.8944 -4.8360 0.0000 C 0 0 0 2.2259 -5.2686 0.0000 C 0 0 0 -0.4370 -4.4034 0.0000 C 0 0 0 0.4618 -6.1675 0.0000 C 0 0 0 1.3986 -7.2079 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 2 2 5 6 1 6 7 1 7 8 1 8 9 1 9 10 1 9 11 1 9 12 1 12 13 1 M CHG 1 8 1 M END > <Title> ZINC00359840 > <SMILES> Cc1ccsc1C[NH2+]C(C)(C)CO $$$$ C9H16NOS MOLSOFT 11061513452D 12 12 0 0 1 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 N 0 3 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 1 7.1239 0.1854 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 2 1 5 6 1 5 7 1 7 8 1 8 9 1 10 9 1 10 11 1 1 10 12 1 M CHG 1 8 1 M END > <Title> ZINC00360078 > <SMILES> Cc1ccc(s1)C[NH2+]C[C@@H](C)O $$$$ C10H13N5 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.5694 -6.1287 0.0000 N 0 0 0 -0.4710 -7.0655 0.0000 N 0 0 0 -1.6834 -6.3655 0.0000 N 0 0 0 -1.3923 -4.9961 0.0000 N 0 0 0 -2.3291 -3.9557 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 7 2 1 6 7 2 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 10 1 13 14 1 14 15 1 M END > <Title> ZINC00360580 > <SMILES> Cc1ccccc1CNc2nnnn2C $$$$ C14H12FNO MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 10.5000 3.6373 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 15 17 1 M END > <Title> ZINC00361437 > <SMILES> c1ccc(cc1)CNC(=O)c2cccc(c2)F $$$$ C11H15NO2 MOLSOFT 11061513452D 14 14 0 0 1 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 2 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -6.3000 -3.6373 0.0000 C 0 0 0 2 1 1 6 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 2 3 1 2 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 M END > <Title> ZINC00361814 > <SMILES> C[C@H](c1ccccc1)NC(=O)COC $$$$ C15H15NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00361970 > <SMILES> CCOc1ccc(cc1)C(=O)Nc2ccccc2 $$$$ C9H14N2OS MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -5.6000 -0.0000 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 1 2 1 2 3 1 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 9 1 12 13 1 M END > <Title> ZINC00362144 > <SMILES> CCC(CC)C(=O)Nc1nccs1 $$$$ C10H13NO2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 M END > <Title> ZINC00362817 > <SMILES> COCC(=O)NCc1ccccc1 $$$$ C11H15NO2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 M END > <Title> ZINC00362825 > <SMILES> CC(C)CC(=O)Nc1ccc(cc1)O $$$$ C15H15NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 12.6000 2.4249 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC00362862 > <SMILES> c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O $$$$ C12H17NO2 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 7 2 2 6 7 1 6 8 1 5 6 2 5 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 4 5 1 4 15 1 M END > <Title> ZINC00363473 > <SMILES> Cc1cc(c(c(c1)C)NC(=O)COC)C $$$$ C9H11NO3 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 M END > <Title> ZINC00363785 > <SMILES> COCC(=O)Nc1ccc(cc1)O $$$$ C9H11ClN2O MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 2 12 13 1 M END > <Title> ZINC00363816 > <SMILES> CCCC(=O)Nc1cccnc1Cl $$$$ C12H17NO2 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -5.6000 -0.0000 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 1 2 1 2 3 1 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 M END > <Title> ZINC00363840 > <SMILES> CCC(CC)C(=O)Nc1ccccc1O $$$$ C13H16O3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.5694 -6.1287 0.0000 C 0 0 0 -0.4710 -7.0655 0.0000 C 0 0 0 -1.6834 -6.3655 0.0000 C 0 0 0 -1.3923 -4.9961 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 8 3 1 7 8 2 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 1 16 12 1 15 16 1 M END > <Title> ZINC00363966 > <SMILES> COc1ccccc1OC(=O)C2CCCC2 $$$$ C8H7N3O2S2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 S 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 7.0301 -1.3437 0.0000 C 0 0 0 7.8530 -2.4764 0.0000 C 0 0 0 7.0301 -3.6090 0.0000 C 0 0 0 5.6986 -3.1764 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 3 1 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 2 12 13 1 13 14 2 15 11 1 14 15 1 M END > <Title> ZINC00364057 > <SMILES> CSc1nnc(s1)NC(=O)c2ccco2 $$$$ C7H11N3OS2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 S 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 1 M END > <Title> ZINC00364126 > <SMILES> CCCC(=O)Nc1nnc(s1)SC $$$$ C12H11NO3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 7 8 1 5 6 1 5 9 1 9 10 1 10 11 2 10 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M END > <Title> ZINC00364435 > <SMILES> Cc1ccc(cc1O)NC(=O)c2ccco2 $$$$ C13H14N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.2229 3.5575 0.0000 C 0 0 0 10.5544 3.1249 0.0000 C 0 0 0 10.5544 1.7249 0.0000 O 0 0 0 9.2229 1.2922 0.0000 N 0 0 0 11.6870 3.9478 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 17 13 2 16 17 1 15 16 1 15 18 1 M END > <Title> ZINC00364954 > <SMILES> Cc1ccc(cc1)OCC(=O)Nc2cc(on2)C $$$$ C14H12FNO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 F 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 7 8 1 5 6 1 5 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 16 18 1 M END > <Title> ZINC00364992 > <SMILES> Cc1ccc(cc1O)NC(=O)c2cccc(c2)F $$$$ C12H11NO2S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.1229 -2.5047 0.0000 C 0 0 0 8.4544 -2.9373 0.0000 C 0 0 0 8.4544 -4.3373 0.0000 C 0 0 0 7.1229 -4.7699 0.0000 S 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 11 1 14 15 1 4 5 1 4 16 1 M END > <Title> ZINC00365255 > <SMILES> c1ccc(c(c1)NC(=O)Cc2cccs2)O $$$$ C12H17NO2 MOLSOFT 11061513452D 15 15 0 0 1 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 2 -4.2000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 1 2 1 3 2 1 3 4 1 6 3 5 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 13 8 1 12 13 2 12 14 1 11 12 1 11 15 1 M END > <Title> ZINC00365434 > <SMILES> CC[C@H](C)C(=O)Nc1ccc(c(c1)O)C $$$$ C13H15NO4 MOLSOFT 11061513452D 18 20 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 1 4.2000 -0.0000 0.0000 O 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 O 0 0 0 7.0000 -0.0000 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 -0.0000 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 5 7 1 7 8 1 9 8 1 10 4 1 9 10 1 9 11 1 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00365541 > <SMILES> c1ccc2c(c1)OC[C@@H](O2)C(=O)N3CCOCC3 $$$$ C13H16N2OS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 S 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 -1.5229 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 2 13 14 1 14 15 1 16 12 1 15 16 2 15 17 1 M END > <Title> ZINC00368040 > <SMILES> CC(C)COc1ccc(cc1)c2csc(n2)N $$$$ C8H5ClF3NO MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 1.5876 5.5497 0.0000 F 0 0 0 4.0124 4.1497 0.0000 F 0 0 0 3.5000 6.0622 0.0000 F 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 2 9 11 1 11 12 1 11 13 1 11 14 1 M END > <Title> ZINC00368461 > <SMILES> c1cc(cc(c1)Cl)NC(=O)C(F)(F)F $$$$ C8H6ClN5O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 N 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.2306 6.1287 0.0000 N 0 0 0 3.2710 7.0655 0.0000 C 0 0 0 4.4834 6.3655 0.0000 N 0 0 0 4.1923 4.9961 0.0000 N 0 0 0 1 2 1 2 3 2 6 1 2 5 6 1 4 5 2 4 7 1 3 4 1 3 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 15 11 2 14 15 1 M END > <Title> ZINC00369119 > <SMILES> c1cc(c(nc1)Cl)C(=O)Nc2nc[nH]n2 $$$$ C10H12N2O3S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 S 0 0 0 4.1269 5.1305 0.0000 N 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 O 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00369375 > <SMILES> c1cc(oc1)C(=O)NC(=S)N2CCOCC2 $$$$ C14H15NOS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 S 0 0 0 5.0612 3.9949 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 2 14 15 2 16 12 1 15 16 1 13 14 1 13 17 1 M END > <Title> ZINC00371249 > <SMILES> Cc1ccc(cc1)CNC(=O)c2c(ccs2)C $$$$ C13H13N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00371753 > <SMILES> CCc1ccc(cc1)NC(=O)c2cnccn2 $$$$ C13H16ClNO MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 1.2124 0.7000 0.0000 C 0 0 0 1.2124 -0.7000 0.0000 C 0 0 1 1.9124 -1.9124 0.0000 C 0 0 0 1.2124 -3.1249 0.0000 O 0 0 0 3.3124 -1.9124 0.0000 N 0 0 0 4.0124 -3.1249 0.0000 C 0 0 0 5.4124 -3.1249 0.0000 C 0 0 0 6.1124 -4.3373 0.0000 C 0 0 0 7.5124 -4.3373 0.0000 C 0 0 0 8.2124 -5.5497 0.0000 C 0 0 0 7.5124 -6.7622 0.0000 C 0 0 0 6.1124 -6.7622 0.0000 C 0 0 0 5.4124 -5.5497 0.0000 C 0 0 0 8.2124 -7.9746 0.0000 Cl 0 0 0 2 1 1 6 2 3 1 4 2 1 4 3 1 4 5 1 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M END > <Title> ZINC00372122 > <SMILES> C[C@@H]1C[C@H]1C(=O)NCCc2ccc(cc2)Cl $$$$ C9H9N3O MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 -0.7000 -8.4870 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 3 M END > <Title> ZINC00372245 > <SMILES> c1cnccc1CNC(=O)CC#N $$$$ C12H14N2S MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 S 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 -1.5229 0.0000 N 0 0 0 4.5903 2.4641 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 7 8 1 5 6 1 5 9 1 9 10 2 11 12 1 13 9 1 12 13 2 12 14 1 10 11 1 10 15 1 M END > <Title> ZINC00373253 > <SMILES> Cc1ccc(cc1C)c2c(sc(n2)N)C $$$$ C11H13N3O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7432 4.5193 0.0000 C 0 0 0 -2.7432 5.9193 0.0000 C 0 0 0 -1.4118 6.3519 0.0000 O 0 0 0 -0.5889 5.2193 0.0000 N 0 0 0 -3.8759 6.7422 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 7 3 2 6 7 1 5 6 1 5 8 1 4 5 2 4 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 16 12 2 15 16 1 14 15 1 14 17 1 M END > <Title> ZINC00373530 > <SMILES> CCc1c(c(on1)C)C(=O)Nc2cc(on2)C $$$$ C12H17NO2 MOLSOFT 11061513452D 15 15 0 0 1 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 2 -2.1000 1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 3 2 1 3 4 1 6 3 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 9 11 1 8 9 2 8 12 1 12 13 1 13 14 2 13 15 1 M END > <Title> ZINC00373625 > <SMILES> CC[C@H](C)c1ccc(c(c1)O)NC(=O)C $$$$ C13H17FNO2 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 3 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 2 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 4.2000 -7.2746 0.0000 F 0 0 0 2 1 1 2 3 1 3 4 1 4 5 1 6 5 1 2 7 1 6 7 1 6 8 1 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 15 17 1 M CHG 1 2 1 M END > <Title> ZINC00375622 > <SMILES> C[NH+]1CCC[C@H](C1)OC(=O)c2cccc(c2)F $$$$ C13H14N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 O 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 1.5229 0.0000 C 0 0 0 8.7660 0.9535 0.0000 O 0 0 0 7.3407 2.9152 0.0000 O 0 0 0 8.4733 3.7381 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 14 10 2 13 14 1 12 13 1 12 15 1 15 16 2 15 17 1 17 18 1 M END > <Title> ZINC00376589 > <SMILES> CN(C)c1ccc(cc1)c2cc(on2)C(=O)OC $$$$ C12H14N2O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.5318 -2.5020 0.0000 C 0 0 0 1.5722 -3.4388 0.0000 C 0 0 0 2.9037 -3.0062 0.0000 C 0 0 0 3.1948 -1.6368 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 1 8 9 2 9 10 1 10 11 1 12 8 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 M END > <Title> ZINC00379050 > <SMILES> COC(=O)NCCc1c[nH]c2c1cccc2 $$$$ C12H12N2O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.5318 2.5020 0.0000 C 0 0 0 1.5722 3.4388 0.0000 C 0 0 0 2.9037 3.0062 0.0000 C 0 0 0 3.1948 1.6368 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 -0.9791 -2.7552 0.0000 O 0 0 0 1.3271 -3.5045 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 12 13 1 14 6 2 13 14 1 14 15 1 15 16 2 15 17 1 M END > <Title> ZINC00380718 > <SMILES> CCC(=O)Nc1c2ccccc2oc1C(=O)N $$$$ C13H10ClNO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 C 0 0 0 0.7000 8.4870 0.0000 C 0 0 0 2.1000 8.4870 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 -0.0000 9.6995 0.0000 Cl 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 3 4 1 3 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00381702 > <SMILES> c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl $$$$ C9H12N2O3S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.2000 1.4000 0.0000 O 0 0 0 4.2000 -1.4000 0.0000 O 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 11 6 1 10 11 2 9 10 1 9 12 1 12 13 2 12 14 2 12 15 1 M END > <Title> ZINC00381801 > <SMILES> CCC(=O)Nc1ccc(cc1)S(=O)(=O)N $$$$ C12H15F2NO MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -5.4124 -1.7249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.9876 -3.1249 0.0000 C 0 0 0 -4.9000 -3.6373 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 F 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 2 10 11 1 11 12 2 14 9 1 13 14 2 14 15 1 12 13 1 12 16 1 M END > <Title> ZINC00382439 > <SMILES> CC(C)(C)CC(=O)Nc1ccc(cc1F)F $$$$ C9H12N2O3S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 S 0 0 0 -3.3124 -0.5124 0.0000 O 0 0 0 -0.8876 -1.9124 0.0000 O 0 0 0 -2.8000 -2.4249 0.0000 C 0 0 0 1 2 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 6 7 1 6 9 1 9 10 2 9 11 1 2 3 1 2 12 1 12 13 2 12 14 2 12 15 1 M END > <Title> ZINC00382486 > <SMILES> CN(c1ccc(cc1)C(=O)N)S(=O)(=O)C $$$$ C12H13N3OS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 N 0 0 0 8.4544 1.9124 0.0000 N 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 S 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 M END > <Title> ZINC00382952 > <SMILES> CC(C)c1ccc(cc1)C(=O)Nc2nncs2 $$$$ C13H13N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 N 0 0 0 0.0000 -9.6995 0.0000 C 0 0 0 -1.4000 -9.6995 0.0000 C 0 0 0 -2.1000 -8.4870 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 7 2 1 6 7 2 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00383096 > <SMILES> Cc1ccccc1OCC(=O)Nc2ncccn2 $$$$ C15H15NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 O 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 2 16 11 1 15 16 2 16 17 1 14 15 1 14 18 1 M END > <Title> ZINC00383749 > <SMILES> Cc1cccc(c1)C(=O)Nc2ccc(cc2O)C $$$$ C15H15NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 6 8 1 5 6 1 5 9 1 9 10 1 10 11 2 10 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 M END > <Title> ZINC00383776 > <SMILES> Cc1ccc(c(c1)O)NC(=O)c2ccccc2C $$$$ C13H19NO2 MOLSOFT 11061513452D 16 16 0 0 1 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 1 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 2 1 1 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 7 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 13 15 1 2 3 1 2 16 1 M END > <Title> ZINC00383830 > <SMILES> C[C@@H](c1cccc(c1)NC(=O)CC(C)C)O $$$$ C12H13NO MOLSOFT 11061513452D 14 16 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.1357 -1.4920 0.0000 C 0 0 1 5.3680 -2.0448 0.0000 C 0 0 0 5.6206 -3.3141 0.0000 C 0 0 0 4.3731 -2.7391 0.0000 C 0 0 1 4.6061 -1.0097 0.0000 O 0 0 0 2.9741 -3.3395 0.0000 C 0 0 0 2.7976 -2.0818 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 8 7 1 8 9 1 1 9 10 1 11 10 1 6 12 7 1 11 12 1 11 13 1 8 14 1 13 14 2 M END > <Title> ZINC00384067 > <SMILES> c1ccc(cc1)N2[C@H]3CC[C@@H](O2)C=C3 $$$$ C12H13N3OS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.5694 -6.1287 0.0000 C 0 0 0 -0.4710 -7.0655 0.0000 N 0 0 0 -1.6834 -6.3655 0.0000 N 0 0 0 -1.3923 -4.9961 0.0000 S 0 0 0 1.9388 -6.4198 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 8 3 1 7 8 2 8 9 1 9 10 1 10 11 2 10 12 1 12 13 2 14 15 2 16 12 1 15 16 1 13 14 1 13 17 1 M END > <Title> ZINC00385474 > <SMILES> CCc1ccccc1NC(=O)c2c(nns2)C $$$$ C9H11N5OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.9159 1.7148 0.0000 O 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7432 4.5193 0.0000 C 0 0 0 -2.7432 5.9193 0.0000 C 0 0 0 -1.4118 6.3519 0.0000 C 0 0 0 -0.5889 5.2193 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 6 7 1 8 4 1 7 8 2 5 6 2 5 9 1 9 10 1 10 11 2 10 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M END > <Title> ZINC00386318 > <SMILES> CCCn1c(nnn1)NC(=O)c2cccs2 $$$$ C12H17N3O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 9.1000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 2 14 16 1 M END > <Title> ZINC00386749 > <SMILES> Cc1ccc(cc1)N2CCN(CC2)C(=O)N $$$$ C11H14FN3O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 N 0 0 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -3.5000 -6.0622 0.0000 O 0 0 0 -1.4000 -7.2746 0.0000 N 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 12 7 1 11 12 1 10 11 1 10 13 1 13 14 2 13 15 1 3 4 2 3 16 1 M END > <Title> ZINC00386756 > <SMILES> c1cc(ccc1N2CCN(CC2)C(=O)N)F $$$$ C13H20N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 N 0 3 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 16 11 1 15 16 1 14 15 1 14 17 1 M CHG 1 14 1 M END > <Title> ZINC00386881 > <SMILES> Cc1cccc(c1)NC(=O)N2CC[NH+](CC2)C $$$$ C12H17FN3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M CHG 1 2 1 M END > <Title> ZINC00386890 > <SMILES> C[NH+]1CCN(CC1)C(=O)Nc2ccc(cc2)F $$$$ C8H13N3O2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -6.3000 -1.2124 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 N 0 0 0 -6.3000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 13 9 1 12 13 2 M END > <Title> ZINC00387415 > <SMILES> CN(C)C(=O)OCCn1ccnc1 $$$$ C13H13NO2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.3124 -0.5124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 S 0 0 0 -0.8876 -1.9124 0.0000 O 0 0 0 -2.8000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 2 2 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00387469 > <SMILES> CS(=O)(=O)Nc1ccc(cc1)c2ccccc2 $$$$ C10H16NO MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -3.5000 1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 3 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 1 2 1 2 3 1 4 5 1 3 4 1 3 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 6 2 10 11 1 10 12 1 M CHG 1 3 1 M END > <Title> ZINC00388040 > <SMILES> CC[NH+](CC)c1cccc(c1)O $$$$ C7H9NO MOLSOFT 11061513452D 9 9 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 6 7 1 6 9 1 M END > <Title> ZINC00388191 > <SMILES> CNc1ccc(cc1)O $$$$ C7H7ClO MOLSOFT 11061513452D 9 9 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 6 7 1 6 9 1 M END > <Title> ZINC00388374 > <SMILES> COc1ccc(cc1)Cl $$$$ C6H14NO2 MOLSOFT 11061513452D 9 9 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 3 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 6 1 1 5 6 1 6 7 1 7 8 1 8 9 1 M CHG 1 6 1 M END > <Title> ZINC00388749 > <SMILES> C1COCC[NH+]1CCO $$$$ C11H15ClN2O2 MOLSOFT 11061513452D 16 16 0 0 1 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 1 -5.6000 -2.4249 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 O 0 0 0 -7.7000 -3.6373 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 2 1 1 1 3 4 1 4 5 1 2 3 1 2 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M END > <Title> ZINC00388944 > <SMILES> C[C@@H](COC)NC(=O)Nc1ccc(cc1)Cl $$$$ C11H22N2O3 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -5.4124 -1.7249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.9876 -3.1249 0.0000 C 0 0 0 -2.9876 -4.5249 0.0000 O 0 0 0 -4.9000 -3.6373 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 3 4 1 2 3 1 5 6 1 2 5 1 2 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00388969 > <SMILES> CC(CO)(CO)NC(=O)NC1CCCCC1 $$$$ C13H18N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 N 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 C 0 0 0 0.7000 8.4870 0.0000 C 0 0 0 2.1000 8.4870 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00388976 > <SMILES> c1cc(cc(c1)O)NC(=O)NC2CCCCC2 $$$$ C8H9NO3 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 M END > <Title> ZINC00389485 > <SMILES> c1ccc(cc1)COC(=O)NO $$$$ C8H9FO MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 F 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 5 6 1 7 2 1 6 7 2 7 8 1 4 5 2 4 9 1 9 10 1 M END > <Title> ZINC00389595 > <SMILES> Cc1cc(ccc1F)OC $$$$ C10H16NO3 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 8 3 2 8 9 1 9 10 1 7 8 1 7 11 1 11 12 1 5 6 1 5 13 1 13 14 1 M CHG 1 14 1 M END > <Title> ZINC00389604 > <SMILES> COc1cc(cc(c1OC)OC)C[NH3+] $$$$ C7H6N2S MOLSOFT 11061513452D 10 11 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.2870 2.9229 0.0000 N 0 0 0 4.6185 3.3555 0.0000 C 0 0 0 5.4414 2.2229 0.0000 C 0 0 0 4.6185 1.0903 0.0000 N 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 2 10 6 2 9 10 1 M END > <Title> ZINC00389924 > <SMILES> c1cc(sc1)c2[nH]ccn2 $$$$ C15H15NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 5 1 9 10 2 10 11 1 11 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00390491 > <SMILES> CC(=O)Nc1ccccc1OCc2ccccc2 $$$$ C12H12N2O4 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 0.0000 4.8497 0.0000 O 0 0 0 0.0000 2.4249 0.0000 O 0 0 0 2.8000 4.8497 0.0000 N 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 0.7000 6.0622 0.0000 O 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 7 8 2 9 3 1 7 9 1 6 7 1 6 10 1 10 11 1 11 12 2 11 13 1 4 5 1 4 14 1 16 2 2 15 16 1 14 15 2 14 17 1 17 18 1 M END > <Title> ZINC00391083 > <SMILES> Cc1c2c(cc(c(=O)o2)NC(=O)C)c(cn1)CO $$$$ C7H7NO2 MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 M END > <Title> ZINC00391131 > <SMILES> COC(=O)c1ccncc1 $$$$ C6H14NO MOLSOFT 11061513452D 8 8 0 0 1 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 3 3 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 2 0.3903 -2.4641 0.0000 C 0 0 0 1.3271 -3.5045 0.0000 O 0 0 0 2 1 1 2 3 1 3 4 1 4 5 1 6 2 1 6 5 1 6 7 1 6 7 8 1 M CHG 1 2 1 M END > <Title> ZINC00391249 > <SMILES> C[NH+]1CCC[C@@H]1CO $$$$ C11H15NO3 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.7124 0.8876 0.0000 O 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 3 4 1 2 3 1 5 6 1 2 5 1 2 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 M END > <Title> ZINC00391472 > <SMILES> CC(CO)(CO)NC(=O)c1ccccc1 $$$$ C11H14O2 MOLSOFT 11061513452D 13 13 0 0 1 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 1 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2 1 1 6 3 4 1 4 5 2 4 6 1 6 7 1 2 3 1 2 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 M END > <Title> ZINC00391861 > <SMILES> C[C@@H](CC(=O)OC)c1ccccc1 $$$$ C9H14NO2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 8 9 1 9 10 1 6 7 1 6 11 1 11 12 1 M CHG 1 12 1 M END > <Title> ZINC00392018 > <SMILES> COc1ccc(cc1OC)C[NH3+] $$$$ C14H12NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 O 0 5 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 2 15 17 1 M CHG 1 17 -1 M END > <Title> ZINC00392253 > <SMILES> c1ccc(cc1)CNc2ccc(cc2)C(=O)[O-] $$$$ C8H11N3O2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 11 13 1 M END > <Title> ZINC00392455 > <SMILES> CCOc1cnc(nc1)NC(=O)C $$$$ C8H11N3O3 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 N 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 M END > <Title> ZINC00392489 > <SMILES> CCOC(=O)Nc1ncc(cn1)OC $$$$ C9H9NO2 MOLSOFT 11061513452D 12 13 0 0 1 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 1 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 2 1 1 1 3 4 2 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 11 3 1 10 11 1 2 3 1 2 12 1 M END > <Title> ZINC00392545 > <SMILES> C[C@@H](c1nc2ccccc2o1)O $$$$ C8H9ClN2O MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 M END > <Title> ZINC00392864 > <SMILES> CNC(=O)Nc1ccc(cc1)Cl $$$$ C9H11ClN2O MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 M END > <Title> ZINC00392865 > <SMILES> CCNC(=O)Nc1ccc(cc1)Cl $$$$ C10H18N2O4 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 2 12 14 1 14 15 1 15 16 1 M END > <Title> ZINC00393629 > <SMILES> CCOC(=O)N1CCN(CC1)C(=O)OCC $$$$ C7H13NO3 MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 1 11 6 1 10 11 1 M END > <Title> ZINC00393697 > <SMILES> CCOC(=O)N1CCOCC1 $$$$ C11H16N2O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 8 3 2 7 8 1 8 9 1 5 6 1 5 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00393736 > <SMILES> COc1cc(ccc1N)N2CCOCC2 $$$$ C11H17N2 MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 3 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 13 8 1 12 13 1 M CHG 1 8 1 M END > <Title> ZINC00393794 > <SMILES> c1ccnc(c1)C[NH+]2CCCCC2 $$$$ C10H15N2O MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 4.3306 2.4914 0.0000 C 0 0 0 5.3710 3.4282 0.0000 C 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 1 2 3 2 6 1 2 5 6 1 4 5 2 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 12 8 1 11 12 1 3 4 1 3 13 1 M CHG 1 8 1 M END > <Title> ZINC00393919 > <SMILES> c1cc(c(nc1)C[NH+]2CCCC2)O $$$$ C8H15N2 MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.6074 1.2614 0.0000 C 0 0 0 1.9723 1.5729 0.0000 C 0 0 0 3.0669 0.7000 0.0000 C 0 0 0 3.0669 -0.7000 0.0000 N 0 3 0 1.9723 -1.5729 0.0000 C 0 0 0 0.6074 -1.2614 0.0000 C 0 0 0 4.3283 -1.3074 0.0000 C 0 0 0 5.4850 -0.5188 0.0000 C 0 0 0 6.6417 0.2699 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 1 1 6 7 1 5 6 1 5 8 1 8 9 1 9 10 3 M CHG 1 5 1 M END > <Title> ZINC00393998 > <SMILES> C1CCC[NH+](CC1)CC#N $$$$ C10H13Cl2N2O MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 N 0 3 0 -5.6000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 13 8 1 12 13 2 12 14 1 11 12 1 11 15 1 M CHG 1 2 1 M END > <Title> ZINC00394102 > <SMILES> C[NH+](C)CC(=O)Nc1ccc(c(c1)Cl)Cl $$$$ C10H14N2O3S MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -7.0000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.8000 -2.4249 0.0000 O 0 0 0 -2.8000 0.0000 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 S 0 0 0 -1.4000 -1.4000 0.0000 O 0 0 0 -1.4000 1.4000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 7 9 2 7 10 1 10 11 2 11 12 1 12 13 2 15 10 1 14 15 2 13 14 1 13 16 1 M END > <Title> ZINC00394103 > <SMILES> CCNC(=O)NS(=O)(=O)c1ccc(cc1)C $$$$ C11H16ClN2O MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 N 0 3 0 2.1000 -6.0622 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 12 14 1 6 7 1 6 15 1 M CHG 1 12 1 M END > <Title> ZINC00394107 > <SMILES> Cc1cccc(c1NC(=O)C[NH+](C)C)Cl $$$$ C11H12N2O3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 O 0 0 0 4.1269 5.1305 0.0000 N 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 3.9008 8.0457 0.0000 C 0 0 0 4.1919 9.4151 0.0000 C 0 0 0 5.5842 9.5614 0.0000 C 0 0 0 6.1536 8.2825 0.0000 O 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M END > <Title> ZINC00394197 > <SMILES> c1cc(oc1)CNC(=O)NCc2ccco2 $$$$ C8H6N4 MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 N 0 0 0 6.7406 -1.6834 0.0000 C 0 0 0 7.9531 -0.9834 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 9 4 1 8 9 2 8 10 1 10 11 1 11 12 3 M END > <Title> ZINC00394716 > <SMILES> c1ccc2c(c1)[nH]c(n2)NC#N $$$$ C11H15N3O3 MOLSOFT 11061513452D 17 17 0 0 1 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 -1.4000 -2.4249 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 1 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 -5.6000 -2.4249 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 5 4 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 5 6 1 6 5 14 1 14 15 2 14 16 1 16 17 1 M END > <Title> ZINC00394739 > <SMILES> CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN $$$$ C11H18N2O MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.5000 1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 4 5 1 5 6 1 3 4 1 3 7 1 7 8 2 8 9 1 9 10 2 12 7 1 11 12 2 11 13 1 10 11 1 10 14 1 M END > <Title> ZINC00394925 > <SMILES> CCN(CCO)c1ccc(c(c1)C)N $$$$ C9H18N2O MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 12 7 1 11 12 1 M END > <Title> ZINC00395223 > <SMILES> CCNC(=O)NC1CCCCC1 $$$$ C10H14N2O2 MOLSOFT 11061513452D 14 14 0 0 1 0 0 0 0 0999 V2000 -6.3000 -1.2124 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 1 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 O 0 0 0 2 1 1 1 3 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 2 3 1 2 14 1 M END > <Title> ZINC00395358 > <SMILES> C[C@@H](CNC(=O)Nc1ccccc1)O $$$$ C11H15ClN2O2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 11 13 1 13 14 1 14 15 1 5 6 1 5 16 1 M END > <Title> ZINC00395364 > <SMILES> Cc1ccc(cc1NC(=O)N(C)CCO)Cl $$$$ C11H14ClNO2 MOLSOFT 11061513452D 15 15 0 0 1 0 0 0 0 0999 V2000 -5.6000 -0.0000 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 1 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 Cl 0 0 0 1 2 1 3 2 1 6 4 5 1 3 4 1 3 6 1 6 7 1 7 8 2 7 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 M END > <Title> ZINC00395824 > <SMILES> CC[C@@H](CO)NC(=O)c1ccccc1Cl $$$$ C11H15ClN2O2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -5.4124 -1.7249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.9876 -3.1249 0.0000 C 0 0 0 -4.9000 -3.6373 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 1 2 1 2 3 1 4 5 1 2 4 1 2 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M END > <Title> ZINC00395845 > <SMILES> CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl $$$$ C9H17N3O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 O 0 0 0 9.1000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 12 14 1 M END > <Title> ZINC00395846 > <SMILES> C1CCC(CC1)NC(=O)NCC(=O)N $$$$ C9H9O3 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 8.4000 2.4249 0.0000 O 0 5 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 M CHG 1 12 -1 M END > <Title> ZINC00396091 > <SMILES> c1ccc(cc1)COCC(=O)[O-] $$$$ C12H12N2O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 8 9 1 10 5 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 7 8 2 7 15 1 15 16 1 M END > <Title> ZINC00396589 > <SMILES> CC(=O)Nc1cc(cc2c1nccc2)OC $$$$ C7H7BrN2O2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 O 0 0 0 2.8000 2.4249 0.0000 Br 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 3 4 2 3 12 1 M END > <Title> ZINC00396739 > <SMILES> c1cc(ccc1NC(=O)NO)Br $$$$ C12H18N2O MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 13 15 1 M END > <Title> ZINC00396898 > <SMILES> Cc1cccc(c1)NC(=O)NCC(C)C $$$$ C14H16N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.3923 -4.9961 0.0000 C 0 0 0 8.6834 -6.3655 0.0000 C 0 0 0 7.4710 -7.0655 0.0000 C 0 0 0 6.4306 -6.1287 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 4 5 1 4 18 1 M END > <Title> ZINC00397103 > <SMILES> Cc1cc(cc(c1)NC(=O)NCc2ccco2)C $$$$ C12H9N2O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 S 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 O 0 5 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 1 15 16 2 15 17 1 M CHG 1 17 -1 M END > <Title> ZINC00397121 > <SMILES> c1ccc(cc1)c2cnc(nc2)SCC(=O)[O-] $$$$ C14H16N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.2229 3.5575 0.0000 C 0 0 0 10.5544 3.1249 0.0000 C 0 0 0 10.5544 1.7249 0.0000 C 0 0 0 9.2229 1.2922 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 7 8 1 5 6 1 5 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 14 1 17 18 1 M END > <Title> ZINC00397173 > <SMILES> Cc1ccc(cc1C)NC(=O)NCc2ccco2 $$$$ C8H8BrNO2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 Br 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 M END > <Title> ZINC00397376 > <SMILES> COC(=O)Nc1ccc(cc1)Br $$$$ C9H12N4O2 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -4.2000 2.4249 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 N 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 9 10 1 11 6 1 10 11 2 11 12 1 12 13 2 12 14 1 14 15 1 M END > <Title> ZINC00397542 > <SMILES> CNC(=O)Nc1ccccc1C(=O)NN $$$$ C13H12FNO MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.1000 -8.4870 0.0000 F 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 3 4 2 3 16 1 M END > <Title> ZINC00397714 > <SMILES> c1cc(ccc1CNc2ccc(cc2)F)O $$$$ C13H12ClNO MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.1000 -8.4870 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 3 4 2 3 16 1 M END > <Title> ZINC00397781 > <SMILES> c1cc(ccc1CNc2ccc(cc2)Cl)O $$$$ C14H15NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00397783 > <SMILES> COc1ccc(cc1)NCc2ccc(cc2)O $$$$ C14H15N3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 N 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 6 7 1 6 18 1 M END > <Title> ZINC00397984 > <SMILES> Cc1cccc(c1NC(=O)Nc2cccnc2)C $$$$ C10H13NO2S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 S 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 N 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 5 6 1 7 2 1 6 7 2 7 8 1 8 9 1 4 5 2 4 10 1 10 11 1 11 12 2 11 13 1 13 14 1 M END > <Title> ZINC00398399 > <SMILES> Cc1cc(ccc1SC)OC(=O)NC $$$$ C12H17ClN2O MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -5.6000 -3.8249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -5.6000 -1.0249 0.0000 C 0 0 0 -7.0000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 14 16 1 M END > <Title> ZINC00399198 > <SMILES> CC(C)(C)NC(=O)NCc1cccc(c1)Cl $$$$ C12H15FN2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.1229 -2.5047 0.0000 C 0 0 0 8.4544 -2.9373 0.0000 C 0 0 0 8.4544 -4.3373 0.0000 C 0 0 0 7.1229 -4.7699 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 11 1 14 15 1 4 5 1 4 16 1 M END > <Title> ZINC00399272 > <SMILES> c1ccc(c(c1)NC(=O)NC2CCCC2)F $$$$ C7H12N2O2 MOLSOFT 11061513452D 11 11 0 0 1 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 1 0.3903 -2.4641 0.0000 C 0 0 0 -0.9791 -2.7552 0.0000 O 0 0 0 1.3271 -3.5045 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 8 4 1 8 7 1 8 9 1 1 9 10 2 9 11 1 M END > <Title> ZINC00399355 > <SMILES> CC(=O)N1CCC[C@H]1C(=O)N $$$$ C7H12N2O2 MOLSOFT 11061513452D 11 11 0 0 1 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 2 0.3903 -2.4641 0.0000 C 0 0 0 -0.9791 -2.7552 0.0000 O 0 0 0 1.3271 -3.5045 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 8 4 1 8 7 1 8 9 1 6 9 10 2 9 11 1 M END > <Title> ZINC00399356 > <SMILES> CC(=O)N1CCC[C@@H]1C(=O)N $$$$ C13H11FN2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 N 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 C 0 0 0 0.7000 8.4870 0.0000 C 0 0 0 2.1000 8.4870 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 -0.0000 9.6995 0.0000 F 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC00399805 > <SMILES> c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F $$$$ C13H19N3O2 MOLSOFT 11061513452D 18 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 5.7876 3.1249 0.0000 C 0 0 0 8.2124 1.7249 0.0000 C 0 0 0 7.7000 3.6373 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 12 14 1 14 15 1 15 16 1 15 17 1 15 18 1 M END > <Title> ZINC00400438 > <SMILES> CC(=O)Nc1ccc(cc1)NC(=O)NC(C)(C)C $$$$ C13H13NO3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00401165 > <SMILES> CCOC(=O)Nc1cccc2c1cc(cc2)O $$$$ C13H19NO2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 6.3000 2.6124 0.0000 C 0 0 0 6.3000 -0.1876 0.0000 C 0 0 0 7.7000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 11 13 1 13 14 1 13 15 1 13 16 1 M END > <Title> ZINC00401760 > <SMILES> CCOc1ccc(cc1)NC(=O)C(C)(C)C $$$$ C12H18N2OS MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -4.2000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 S 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 4 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 15 16 1 M END > <Title> ZINC00401984 > <SMILES> CCCN(C)C(=O)Nc1cccc(c1)SC $$$$ C12H12N2O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 9 10 1 11 6 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 M END > <Title> ZINC00402033 > <SMILES> CNC(=O)Nc1cccc2c1cccc2O $$$$ C15H15NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00402149 > <SMILES> COCC(=O)Nc1ccc(cc1)c2ccccc2 $$$$ C8H10N2O3S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.2000 1.4000 0.0000 O 0 0 0 4.2000 -1.4000 0.0000 O 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 2 11 13 2 11 14 1 M END > <Title> ZINC00403245 > <SMILES> CNC(=O)c1ccc(cc1)S(=O)(=O)N $$$$ C13H17NO3 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 C 0 0 1 9.3291 1.5308 0.0000 C 0 0 0 10.6985 1.8219 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 15 11 1 15 14 1 15 16 1 1 16 17 1 M END > <Title> ZINC00403332 > <SMILES> c1ccc(cc1)COC(=O)N2CCC[C@H]2CO $$$$ C8H14NO MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 N 0 3 0 4.7123 0.4389 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 2 1 5 6 1 5 7 1 7 8 1 8 9 1 8 10 1 M CHG 1 8 1 M END > <Title> ZINC00403435 > <SMILES> Cc1ccc(o1)C[NH+](C)C $$$$ C10H10N2O MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 5 1 9 10 2 10 11 1 12 3 1 11 12 2 11 13 1 M END > <Title> ZINC00403451 > <SMILES> COc1cc2cccnc2c(c1)N $$$$ C8H9NO2 MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 5 1 9 10 2 10 11 1 M END > <Title> ZINC00404269 > <SMILES> CC(=O)Nc1ccccc1O $$$$ C10H16N2O MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.5000 1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 4 5 1 5 6 1 3 4 1 3 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 M END > <Title> ZINC00404661 > <SMILES> CCN(CCO)c1ccc(cc1)N $$$$ C7H16NO2 MOLSOFT 11061513452D 10 10 0 0 1 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 3 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 2 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 O 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 5 1 1 4 5 1 4 6 1 7 6 1 8 9 1 7 8 1 7 10 1 1 M CHG 1 4 1 M END > <Title> ZINC00405112 > <SMILES> C1CC[NH+](C1)C[C@H](CO)O $$$$ C10H18O2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 12 7 1 11 12 1 M END > <Title> ZINC00405256 > <SMILES> COC(=O)CCC1CCCCC1 $$$$ C12H11FN2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 6.6849 3.9916 0.0000 F 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 1 2 1 2 3 2 6 2 1 5 6 1 4 5 2 4 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 3 4 1 3 14 1 14 15 2 14 16 1 16 17 1 M END > <Title> ZINC00405332 > <SMILES> Cc1c(c(no1)c2ccc(cc2)F)C(=O)NC $$$$ C14H19NO3 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 2 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 1 8.4000 0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 12 11 1 6 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 17 16 1 17 18 1 1 M END > <Title> ZINC00405613 > <SMILES> c1ccc(cc1)OCC(=O)N[C@@H]2CCCC[C@H]2O $$$$ C13H13NO2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 S 0 0 0 3.6876 1.9124 0.0000 O 0 0 0 6.1124 0.5124 0.0000 O 0 0 0 5.6000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 5.6000 4.8497 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 7.7000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 2 9 11 2 9 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC00405618 > <SMILES> Cc1ccc(cc1)NS(=O)(=O)c2ccccc2 $$$$ C7H11N3O MOLSOFT 11061513452D 11 11 0 0 1 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 1 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 2 1 1 1 3 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 2 3 1 2 11 1 M END > <Title> ZINC00406080 > <SMILES> C[C@@H](CNc1cnccn1)O $$$$ C7H11N3O MOLSOFT 11061513452D 11 11 0 0 1 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 2 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 2 1 1 6 3 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 2 3 1 2 11 1 M END > <Title> ZINC00406081 > <SMILES> C[C@H](CNc1cnccn1)O $$$$ C13H10N4 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 N 0 0 0 9.2229 1.1326 0.0000 C 0 0 0 10.5544 0.7000 0.0000 N 0 0 0 10.5544 -0.7000 0.0000 N 0 0 0 9.2229 -1.1326 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 2 15 16 1 17 13 1 16 17 2 M END > <Title> ZINC00406351 > <SMILES> c1ccc(cc1)c2ccc(cc2)n3cnnn3 $$$$ C13H12N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 6.0622 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00406515 > <SMILES> c1ccc(cc1)NC(=O)Nc2ccc(cc2)O $$$$ C13H12N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 M END > <Title> ZINC00406516 > <SMILES> c1ccc(cc1)NC(=O)Nc2ccccc2O $$$$ C14H13NO3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 M END > <Title> ZINC00406702 > <SMILES> c1ccc(cc1)OCC(=O)Nc2ccccc2O $$$$ C11H15ClN2O2 MOLSOFT 11061513452D 16 16 0 0 1 0 0 0 0 0999 V2000 -2.1000 -3.6373 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 2 -5.6000 -2.4249 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 1 2 1 3 2 1 6 4 5 1 3 4 1 3 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M END > <Title> ZINC00406752 > <SMILES> CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl $$$$ C7H10N2O MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 8 9 1 6 7 1 6 10 1 M END > <Title> ZINC00406912 > <SMILES> COc1ccc(cc1N)N $$$$ C13H13NO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 M END > <Title> ZINC00406930 > <SMILES> c1ccc(cc1)COc2ccccc2N $$$$ C13H11F2NO MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 4.2000 -7.2746 0.0000 F 0 0 0 7.0000 -7.2746 0.0000 F 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 13 15 1 12 13 2 12 16 1 4 5 1 4 17 1 M END > <Title> ZINC00407512 > <SMILES> c1ccc(c(c1)CNc2ccc(c(c2)F)F)O $$$$ C12H17NO3 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 6.3000 2.6124 0.0000 C 0 0 0 6.3000 -0.1876 0.0000 C 0 0 0 7.5124 -0.8876 0.0000 O 0 0 0 7.7000 1.2124 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 2 8 10 1 10 11 1 11 12 1 13 14 1 11 13 1 11 15 1 15 16 1 M END > <Title> ZINC00407567 > <SMILES> Cc1ccc(cc1)C(=O)NC(C)(CO)CO $$$$ C12H14N2S MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 S 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 -1.5229 0.0000 N 0 0 0 4.5903 2.4641 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 6 7 1 6 9 1 9 10 2 11 12 1 13 9 1 12 13 2 12 14 1 10 11 1 10 15 1 M END > <Title> ZINC00408210 > <SMILES> CCc1ccc(cc1)c2c(sc(n2)N)C $$$$ C14H13NO3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC00408583 > <SMILES> COc1ccc(cc1)C(=O)Nc2ccc(cc2)O $$$$ C9H11N3O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 O 0 0 0 9.1000 3.6373 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 12 14 1 M END > <Title> ZINC00408614 > <SMILES> c1ccc(cc1)NC(=O)NCC(=O)N $$$$ C11H16N2O3 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -5.4124 -1.7249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.9876 -3.1249 0.0000 C 0 0 0 -2.9876 -4.5249 0.0000 O 0 0 0 -4.9000 -3.6373 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 3 4 1 2 3 1 5 6 1 2 5 1 2 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC00408628 > <SMILES> CC(CO)(CO)NC(=O)Nc1ccccc1 $$$$ C10H10N2O MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.2674 -2.5439 0.0000 C 0 0 0 1.4000 -3.3668 0.0000 C 0 0 0 2.5326 -2.5439 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 5 1 9 10 2 10 11 1 11 12 2 13 9 1 12 13 1 M END > <Title> ZINC00408696 > <SMILES> CC(=O)Nc1cccc2c1cc[nH]2 $$$$ C11H21NO2 MOLSOFT 11061513452D 14 14 0 0 1 0 0 0 0 0999 V2000 -5.6000 -0.0000 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 2 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 3 2 1 1 4 5 1 3 4 1 3 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M END > <Title> ZINC00409046 > <SMILES> CC[C@H](CO)NC(=O)C1CCCCC1 $$$$ C13H18N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 C 0 0 0 9.1000 -3.6373 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 4 5 1 4 17 1 M END > <Title> ZINC00409062 > <SMILES> c1ccc(c(c1)NC(=O)NC2CCCCC2)O $$$$ C11H21NO3 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.7124 0.8876 0.0000 O 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 3 4 1 2 3 1 5 6 1 2 5 1 2 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00409086 > <SMILES> CC(CO)(CO)NC(=O)C1CCCCC1 $$$$ C6H8N2O2 MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 2 7 8 1 8 9 1 10 6 1 9 10 2 M END > <Title> ZINC00409316 > <SMILES> CCOC(=O)c1c[nH]nc1 $$$$ C10H7N3OS MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 S 0 0 0 5.5282 -2.3834 0.0000 N 0 0 0 6.7406 -1.6834 0.0000 C 0 0 0 6.7406 -0.2834 0.0000 O 0 0 0 7.9531 -2.3834 0.0000 C 0 0 0 9.1655 -1.6834 0.0000 C 0 0 0 10.3779 -0.9834 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 9 4 1 8 9 1 8 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 3 M END > <Title> ZINC00409395 > <SMILES> c1ccc2c(c1)nc(s2)NC(=O)CC#N $$$$ C9H20NO MOLSOFT 11061513452D 11 11 0 0 1 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 2 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 3 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 2 1 1 6 3 4 1 4 5 1 5 6 1 6 7 1 7 8 1 8 9 1 10 5 1 9 10 1 2 3 1 2 11 1 M CHG 1 4 1 M END > <Title> ZINC00409878 > <SMILES> C[C@H](C[NH2+]C1CCCCC1)O $$$$ C14H15NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 M END > <Title> ZINC00409927 > <SMILES> COc1ccc(cc1)NCc2ccccc2O $$$$ C16H17NO MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 C 0 0 0 -4.2000 2.4249 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 6 7 1 6 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00410060 > <SMILES> CCNC(=O)C(c1ccccc1)c2ccccc2 $$$$ C13H10ClNO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.1000 -8.4870 0.0000 O 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 3 4 2 3 17 1 M END > <Title> ZINC00410282 > <SMILES> c1cc(ccc1C(=O)Nc2ccc(cc2)O)Cl $$$$ C12H17NO2 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -1.4000 1.4000 0.0000 C 0 0 0 -2.8000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 12 14 1 14 15 1 M END > <Title> ZINC00410316 > <SMILES> CC(C)(C)c1ccc(cc1)OC(=O)NC $$$$ C10H8N4O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 N 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 M END > <Title> ZINC00410823 > <SMILES> c1ccnc(c1)NC(=O)c2cnccn2 $$$$ C11H9N3O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 N 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 4 5 1 4 16 1 M END > <Title> ZINC00412079 > <SMILES> c1ccc(c(c1)NC(=O)c2cnccn2)O $$$$ C12H13N5O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.3623 -6.2020 0.0000 C 0 0 0 -0.9899 -6.5644 0.0000 C 0 0 0 -1.3523 -5.2121 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.2306 3.7038 0.0000 C 0 0 0 3.2710 4.6406 0.0000 N 0 0 0 4.4834 3.9406 0.0000 N 0 0 0 4.1923 2.5712 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 13 10 1 12 13 1 3 4 1 3 14 1 14 15 1 15 16 2 16 17 1 18 14 1 17 18 2 M END > <Title> ZINC00412981 > <SMILES> c1cc(ccc1NC(=O)C2CCC2)n3cnnn3 $$$$ C13H26N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 8 3 1 7 8 1 6 7 1 6 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M CHG 1 3 1 M END > <Title> ZINC00413840 > <SMILES> CC[NH+]1CCN(CC1)C(=O)NC2CCCCC2 $$$$ C10H9N3O2S MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.2870 2.9229 0.0000 N 0 0 0 4.6185 3.3555 0.0000 N 0 0 0 5.4414 2.2229 0.0000 C 0 0 0 4.6185 1.0903 0.0000 S 0 0 0 6.8414 2.2229 0.0000 N 0 0 0 7.5414 3.4353 0.0000 C 0 0 0 6.8414 4.6478 0.0000 O 0 0 0 8.9414 3.4353 0.0000 C 0 0 0 10.1538 4.1353 0.0000 C 0 0 0 10.1538 2.7353 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 7 8 1 8 9 2 10 6 1 9 10 1 9 11 1 11 12 1 12 13 2 12 14 1 14 15 1 16 14 1 15 16 1 M END > <Title> ZINC00418028 > <SMILES> c1cc(oc1)c2nnc(s2)NC(=O)C3CC3 $$$$ C13H13N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00418316 > <SMILES> CCOc1ccc(cc1)NC(=O)c2cnccn2 $$$$ C13H13N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 N 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00418341 > <SMILES> COc1ccc(cc1)CNC(=O)c2cnccn2 $$$$ C12H12N2O2S MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 S 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 N 0 0 0 6.7406 -1.6834 0.0000 C 0 0 0 6.7406 -0.2834 0.0000 O 0 0 0 7.9531 -2.3834 0.0000 C 0 0 0 9.3531 -2.3834 0.0000 C 0 0 0 8.6531 -3.5958 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 7 9 1 9 10 1 11 6 1 10 11 2 10 12 1 12 13 1 13 14 2 13 15 1 15 16 1 17 15 1 16 17 1 M END > <Title> ZINC00419826 > <SMILES> COc1ccc2c(c1)sc(n2)NC(=O)C3CC3 $$$$ C15H11N3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.2098 0.6457 0.0000 C 0 0 0 4.9187 2.0151 0.0000 C 0 0 0 3.5873 2.4477 0.0000 C 0 0 0 3.2962 3.8171 0.0000 C 0 0 0 4.3366 4.7539 0.0000 C 0 0 0 5.6681 4.3213 0.0000 C 0 0 0 5.9591 2.9519 0.0000 C 0 0 0 4.0455 6.1233 0.0000 C 0 0 0 3.7544 7.4927 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 9 4 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 17 18 3 M END > <Title> ZINC00419911 > <SMILES> c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N $$$$ C11H17N3 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.1114 2.3692 0.0000 C 0 0 0 4.5240 3.7070 0.0000 C 0 0 0 5.8272 4.2184 0.0000 C 0 0 0 7.0397 3.5184 0.0000 C 0 0 0 7.2483 2.1341 0.0000 C 0 0 0 6.2961 1.1078 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 8 1 13 14 1 M END > <Title> ZINC00433032 > <SMILES> c1cnc(nc1)NC2CCCCCC2 $$$$ C13H17N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00433682 > <SMILES> c1cnc(cn1)C(=O)NCCC2=CCCCC2 $$$$ C13H18N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 O 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00438357 > <SMILES> c1ccc(cc1)CCC(=O)NN2CCOCC2 $$$$ C14H11F2NO MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 2.8000 -9.6995 0.0000 F 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 3 4 2 3 18 1 M END > <Title> ZINC00439367 > <SMILES> c1cc(ccc1CC(=O)Nc2ccc(cc2)F)F $$$$ C13H16N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.2306 6.1287 0.0000 C 0 0 0 3.2710 7.0655 0.0000 C 0 0 0 4.4834 6.3655 0.0000 C 0 0 0 4.1923 4.9961 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 2 7 9 1 3 4 1 3 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 17 13 1 16 17 1 M END > <Title> ZINC00442231 > <SMILES> c1cc(ccc1C(=O)N)NC(=O)C2CCCC2 $$$$ C12H16ClNO2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 2 6 8 1 8 9 2 9 10 1 11 12 1 13 8 1 12 13 2 13 14 1 14 15 1 10 11 2 10 16 1 M END > <Title> ZINC00442484 > <SMILES> CC(C)CNC(=O)c1cc(ccc1OC)Cl $$$$ C14H19NOS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00443691 > <SMILES> c1ccc(cc1)SCC(=O)NC2CCCCC2 $$$$ C14H19NO3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 O 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 6 8 1 5 6 1 5 9 1 9 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00444937 > <SMILES> Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2 $$$$ C13H15N3O MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 N 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 O 0 0 0 -1.3923 -2.5712 0.0000 N 0 0 0 -0.3246 -6.0329 0.0000 C 0 0 0 0.9543 -6.6024 0.0000 C 0 0 0 1.1007 -7.9947 0.0000 C 0 0 0 -0.0320 -8.8176 0.0000 C 0 0 0 -1.3109 -8.2482 0.0000 C 0 0 0 -1.4573 -6.8558 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 11 7 2 10 11 1 9 10 1 9 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00445989 > <SMILES> c1cnccc1c2nc(on2)C3CCCCC3 $$$$ C15H22N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00447355 > <SMILES> CC(C)C(=O)Nc1ccc(cc1)N2CCCCC2 $$$$ C10H11N3OS MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.1923 -2.5712 0.0000 N 0 0 0 4.4834 -3.9406 0.0000 N 0 0 0 3.2710 -4.6406 0.0000 C 0 0 0 2.2306 -3.7038 0.0000 S 0 0 0 3.1246 -6.0329 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 8 10 1 10 11 2 11 12 1 12 13 2 14 10 1 13 14 1 13 15 1 M END > <Title> ZINC00449195 > <SMILES> CCOc1cccc(c1)c2nnc(s2)N $$$$ C14H21N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 N 0 3 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 6.0622 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 1 17 12 1 16 17 1 15 16 1 15 18 1 M CHG 1 15 1 M END > <Title> ZINC00451301 > <SMILES> Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C $$$$ C14H16N2O MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 N 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 9.0965 -4.2451 0.0000 C 0 0 0 8.9501 -5.6374 0.0000 O 0 0 0 7.6712 -6.2068 0.0000 C 0 0 0 6.5385 -5.3839 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 5 1 2 4 5 1 4 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00452948 > <SMILES> c1ccn(c1)c2ccc(cc2)N3CCOCC3 $$$$ C13H11N3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 -0.0000 0.0000 N 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 7.7000 6.0622 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 10 11 2 13 8 1 12 13 2 13 14 1 11 12 1 11 15 1 15 16 3 M END > <Title> ZINC00453563 > <SMILES> c1ccc(cc1)Nc2ccc(cc2N)C#N $$$$ C15H17NO MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 17 8 2 16 17 1 M END > <Title> ZINC00455317 > <SMILES> CC(C)CNC(=O)c1ccc2ccccc2c1 $$$$ C10H12N2O3 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -5.6000 2.4249 0.0000 C 0 0 0 -4.2000 2.4249 0.0000 O 0 0 0 -3.5000 1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 2 12 13 1 13 14 2 13 15 1 M END > <Title> ZINC00458549 > <SMILES> COCC(=O)Nc1ccccc1C(=O)N $$$$ C10H14N2O3S MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 2 8 9 2 10 6 1 9 10 1 9 11 1 11 12 1 11 13 1 13 14 2 13 15 1 7 8 1 7 16 1 M END > <Title> ZINC00458805 > <SMILES> CCOC(=O)c1c(nc(s1)N(C)C(=O)C)C $$$$ C13H14N2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 16 7 2 15 16 1 M END > <Title> ZINC00459160 > <SMILES> CC(C)NC(=O)c1ccc2ccccc2n1 $$$$ C13H23NO2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 O 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00460647 > <SMILES> C1CCC(CC1)CCC(=O)N2CCOCC2 $$$$ C11H12N4O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 N 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 N 0 0 0 7.1229 0.0798 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 7 8 1 5 6 1 5 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 16 12 2 15 16 1 M END > <Title> ZINC00460907 > <SMILES> Cc1ccc(cc1C)C(=O)Nc2nc[nH]n2 $$$$ C14H20N2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.3923 -4.9961 0.0000 C 0 0 0 8.6834 -6.3655 0.0000 C 0 0 0 7.4710 -7.0655 0.0000 C 0 0 0 6.4306 -6.1287 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 13 1 16 17 1 M END > <Title> ZINC00461247 > <SMILES> Cc1cccc(n1)NC(=O)CCC2CCCC2 $$$$ C15H19NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 8.0725 1.5250 0.0000 C 0 0 0 8.0725 3.3248 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 6 8 1 5 6 1 5 9 1 9 10 1 10 11 2 11 12 1 12 13 2 12 14 1 14 15 1 16 10 1 15 16 1 15 17 1 15 18 1 M END > <Title> ZINC00463042 > <SMILES> Cc1ccc(c(c1)O)NC2=CC(=O)CC(C2)(C)C $$$$ C12H12N2OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.4306 3.7038 0.0000 N 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M END > <Title> ZINC00465399 > <SMILES> Cc1ccc(cc1)CC(=O)Nc2nccs2 $$$$ C13H12N2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 N 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 10.5000 1.2124 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 2 14 16 1 M END > <Title> ZINC00466600 > <SMILES> c1ccc(cc1)c2ccc(cc2)NC(=O)N $$$$ C10H14ClN3O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 O 0 0 0 4.5660 -0.9535 0.0000 N 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 7.0301 -1.3437 0.0000 C 0 0 0 7.8530 -2.4764 0.0000 C 0 0 0 7.0301 -3.6090 0.0000 C 0 0 0 5.6986 -3.1764 0.0000 C 0 0 0 3.2870 1.5229 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 6 2 1 5 6 2 5 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 10 1 13 14 1 4 5 1 4 15 1 M END > <Title> ZINC00467615 > <SMILES> Cn1cc(c(n1)C(=O)NC2CCCC2)Cl $$$$ C10H11N3O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 5.5282 -2.3834 0.0000 O 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 6 2 10 11 1 10 12 1 12 13 1 13 14 2 15 9 1 13 15 1 M END > <Title> ZINC00467648 > <SMILES> CCC(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2 $$$$ C13H13N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 N 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 C 0 0 0 -1.3923 -2.5712 0.0000 O 0 0 0 -2.9624 -4.5100 0.0000 N 0 0 0 -4.0950 -3.6871 0.0000 C 0 0 0 -3.1087 -5.9024 0.0000 C 0 0 0 -0.3246 -6.0329 0.0000 C 0 0 0 -0.1783 -7.4253 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 7 2 1 6 7 2 7 8 1 8 9 2 9 10 1 12 8 1 11 12 1 11 13 1 13 14 1 13 15 1 10 11 2 10 16 1 16 17 3 M END > <Title> ZINC00468532 > <SMILES> Cc1ccccc1c2nc(c(o2)N(C)C)C#N $$$$ C11H15N5 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 N 0 0 0 8.4544 0.5124 0.0000 N 0 0 0 7.1229 0.0798 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 16 12 1 15 16 2 M END > <Title> ZINC00468583 > <SMILES> CN(C)c1ccc(cc1)CNn2cnnc2 $$$$ C11H14N2O3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 O 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 3 4 1 3 16 1 M END > <Title> ZINC00469224 > <SMILES> c1cc(ccc1NC(=O)N2CCOCC2)O $$$$ C11H21N3O2 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 2 14 16 1 M END > <Title> ZINC00471031 > <SMILES> CC(C)(C)NC(=O)N1CCC(CC1)C(=O)N $$$$ C13H16N4O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 5.7917 1.4000 0.0000 N 0 0 0 5.7917 2.8000 0.0000 C 0 0 0 4.5792 3.5000 0.0000 O 0 0 0 7.0041 3.5000 0.0000 N 0 0 0 7.0041 4.9000 0.0000 C 0 0 0 6.3041 6.1124 0.0000 C 0 0 0 7.7041 6.1124 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 1 5 6 2 7 8 2 9 4 2 8 9 1 10 2 1 9 10 1 10 11 1 6 7 1 6 12 1 12 13 1 13 14 2 13 15 1 15 16 1 16 17 1 18 16 1 17 18 1 M END > <Title> ZINC00471144 > <SMILES> Cc1nc2cc(ccc2n1C)NC(=O)NC3CC3 $$$$ C14H13FN2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 12.6000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC00474223 > <SMILES> c1ccc(cc1)NC(=O)NCc2ccc(cc2)F $$$$ C12H15ClN2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 Cl 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 9 4 1 8 9 1 7 8 1 7 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M END > <Title> ZINC00474708 > <SMILES> CC(=O)N1CCN(CC1)c2ccc(cc2)Cl $$$$ C12H18N2OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 9.4417 -1.5972 0.0000 C 0 0 0 10.2646 -2.7298 0.0000 C 0 0 0 9.4417 -3.8625 0.0000 C 0 0 0 8.1102 -3.4298 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 2 1 5 6 1 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 12 1 15 16 1 M END > <Title> ZINC00475038 > <SMILES> Cc1cnc(s1)NC(=O)CCC2CCCC2 $$$$ C10H12N2O4 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 6 2 10 11 1 10 12 1 12 13 1 13 14 2 13 15 1 15 16 1 M END > <Title> ZINC00476364 > <SMILES> COC(=O)Nc1cccc(c1)NC(=O)OC $$$$ C12H21NO2 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.6074 1.2614 0.0000 C 0 0 0 1.9723 1.5729 0.0000 C 0 0 0 3.0669 0.7000 0.0000 C 0 0 0 3.0669 -0.7000 0.0000 C 0 0 0 1.9723 -1.5729 0.0000 C 0 0 0 0.6074 -1.2614 0.0000 C 0 0 0 4.3283 -1.3074 0.0000 N 0 0 0 5.4850 -0.5188 0.0000 C 0 0 0 5.3804 0.8773 0.0000 O 0 0 0 6.7463 -1.1262 0.0000 C 0 0 1 7.9792 -0.4628 0.0000 C 0 0 0 8.9911 -1.4303 0.0000 C 0 0 0 8.3837 -2.6917 0.0000 C 0 0 0 6.9963 -2.5037 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 1 1 6 7 1 5 6 1 5 8 1 8 9 1 9 10 2 11 9 1 1 11 12 1 12 13 1 13 14 1 11 15 1 14 15 1 M END > <Title> ZINC00476365 > <SMILES> C1CCCC(CC1)NC(=O)[C@H]2CCCO2 $$$$ C13H17NO3 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 2 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 2 13 11 1 6 13 14 1 14 15 1 15 16 1 13 17 1 16 17 1 M END > <Title> ZINC00476532 > <SMILES> COc1ccc(cc1)CNC(=O)[C@@H]2CCCO2 $$$$ C14H17NO3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 12 14 1 14 15 1 15 16 1 16 17 1 18 14 1 17 18 1 M END > <Title> ZINC00476615 > <SMILES> COC(=O)c1ccc(cc1)NC(=O)C2CCCC2 $$$$ C15H16N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00476743 > <SMILES> CC(C)c1ccc(cc1)C(=O)Nc2ccccn2 $$$$ C15H22NO2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 3 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 9.9229 2.3451 0.0000 O 0 0 0 11.2544 1.9124 0.0000 C 0 0 0 11.2544 0.5124 0.0000 C 0 0 0 9.9229 0.0798 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 14 9 1 13 14 1 12 13 1 12 15 1 15 16 1 16 17 1 18 12 1 17 18 1 M CHG 1 9 1 M END > <Title> ZINC00477415 > <SMILES> c1ccc(cc1)CC[NH+]2CCC3(CC2)OCCO3 $$$$ C11H10N2O3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 8.4000 0.0000 0.0000 O 0 0 0 6.3000 -1.2124 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 2 10 11 1 11 12 1 12 13 2 12 14 1 15 9 1 14 15 1 15 16 2 M END > <Title> ZINC00481010 > <SMILES> COc1ccc(cc1)c2c[nH]c(=O)[nH]c2=O $$$$ C13H11ClN2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 Cl 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 7 9 1 4 5 1 4 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00481300 > <SMILES> c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl $$$$ C13H11ClN2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 8.4000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 7 9 1 4 5 1 4 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 15 17 1 M END > <Title> ZINC00481303 > <SMILES> c1ccc(c(c1)C(=O)N)Nc2cccc(c2)Cl $$$$ C6H5BrN2O2 MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 Br 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 -1.4000 2.4249 0.0000 O 0 0 0 -2.1000 3.6373 0.0000 N 0 0 0 1 2 2 3 4 2 4 5 1 6 1 1 5 6 2 6 7 1 2 3 1 2 8 1 8 9 2 8 10 1 10 11 1 M END > <Title> ZINC00481335 > <SMILES> c1c(cncc1Br)C(=O)ON $$$$ C12H9ClO3 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 3.6879 9.3075 0.0000 Cl 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M END > <Title> ZINC00482440 > <SMILES> c1cc(oc1)C(=O)OCc2ccc(cc2)Cl $$$$ C13H20N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 N 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 6.2459 8.1686 0.0000 C 0 0 0 7.5248 7.5992 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC00483065 > <SMILES> Cc1cc(no1)NC(=O)CCC2CCCCC2 $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.4306 3.7038 0.0000 N 0 0 0 7.4710 4.6406 0.0000 N 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 M END > <Title> ZINC00483632 > <SMILES> COc1ccc(cc1)CC(=O)Nc2nncs2 $$$$ C15H21NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC00486827 > <SMILES> CCc1ccc(cc1)OCC(=O)N2CCCCC2 $$$$ C12H15NO2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 15 11 1 14 15 1 M END > <Title> ZINC00493235 > <SMILES> c1ccc(cc1)OCC(=O)N2CCCC2 $$$$ C5H10N4O MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 5 6 1 6 7 1 7 8 1 8 9 2 10 4 1 8 10 1 M END > <Title> ZINC00500123 > <SMILES> CN(C)c1cn[nH]c(=O)n1 $$$$ C10H8N2O2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 O 0 0 0 7.0000 -0.0000 0.0000 N 0 0 0 8.4000 -0.0000 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 5 7 1 7 8 2 8 9 1 10 4 1 9 10 2 9 11 1 11 12 2 11 13 1 13 14 1 M END > <Title> ZINC00500969 > <SMILES> c1ccc2c(c1)ccc(n2)C(=O)NO $$$$ C13H12NO2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 N 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 6.5385 -5.3839 0.0000 C 0 0 0 5.2596 -5.9534 0.0000 O 0 0 0 7.6712 -6.2068 0.0000 O 0 5 0 1 2 1 2 3 2 3 4 1 4 5 2 6 2 1 5 6 1 5 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 15 16 2 15 17 1 M CHG 1 17 -1 M END > <Title> ZINC00502908 > <SMILES> Cc1ccc(s1)CNc2cccc(c2)C(=O)[O-] $$$$ C11H11N3O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 N 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 -0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 11 12 1 12 13 1 13 14 2 13 15 1 16 10 1 15 16 1 16 17 2 M END > <Title> ZINC00506811 > <SMILES> COc1ccc(cc1)Nc2c[nH]c(=O)[nH]c2=O $$$$ C10H8ClN3O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 N 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 2 9 10 1 10 11 1 11 12 2 11 13 1 14 8 1 13 14 1 14 15 2 3 4 1 3 16 1 M END > <Title> ZINC00507521 > <SMILES> c1cc(ccc1Nc2c[nH]c(=O)[nH]c2=O)Cl $$$$ C11H8N2O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 O 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 1.5229 0.0000 C 0 0 0 8.6196 2.3458 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 2 12 8 2 11 12 1 10 11 1 10 13 1 13 14 3 M END > <Title> ZINC00508149 > <SMILES> Cc1ccc(cc1)c2cc(on2)C#N $$$$ C13H11N3O2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 C 0 0 0 6.7406 -1.6834 0.0000 N 0 0 0 7.9531 -2.3834 0.0000 C 0 0 0 7.9531 -3.7834 0.0000 O 0 0 0 9.1655 -1.6834 0.0000 C 0 0 0 9.3118 -0.2911 0.0000 C 0 0 0 10.6812 -0.0000 0.0000 C 0 0 0 11.3812 -1.2124 0.0000 C 0 0 0 10.4445 -2.2528 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 9 4 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 12 14 1 14 15 2 15 16 1 16 17 2 18 14 1 17 18 1 M END > <Title> ZINC00508336 > <SMILES> c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3 $$$$ C14H16N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -5.4124 -1.7249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.9876 -3.1249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -4.9000 -3.6373 0.0000 O 0 0 0 1 2 1 2 3 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 17 8 2 16 17 1 2 4 1 2 18 1 M END > <Title> ZINC00509816 > <SMILES> CC(C)(C(=O)NNc1ccc2ccccc2c1)O $$$$ C12H11N3O MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 N 0 0 0 6.7406 -1.6834 0.0000 C 0 0 0 7.9531 -2.3834 0.0000 C 0 0 0 9.2320 -1.8140 0.0000 C 0 0 0 10.1688 -2.8544 0.0000 C 0 0 0 9.4688 -4.0668 0.0000 C 0 0 0 8.0994 -3.7757 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 9 4 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M END > <Title> ZINC00513005 > <SMILES> c1ccc2c(c1)[nH]c(n2)NCc3ccco3 $$$$ C15H15N3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.4306 3.7038 0.0000 N 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 7.4710 6.0406 0.0000 C 0 0 0 8.6834 6.7406 0.0000 C 0 0 0 9.8958 6.0406 0.0000 C 0 0 0 9.8958 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 18 10 2 17 18 1 M END > <Title> ZINC00513006 > <SMILES> c1ccc(cc1)CCNc2[nH]c3ccccc3n2 $$$$ C10H14N2O3S MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.2000 1.4000 0.0000 O 0 0 0 4.2000 -1.4000 0.0000 O 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.7000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 O 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 2 8 10 2 8 11 1 11 12 1 11 13 1 13 14 1 14 15 2 14 16 1 M END > <Title> ZINC00514435 > <SMILES> Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N $$$$ C14H22N3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 3 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 13 14 1 14 15 1 17 12 1 16 17 1 15 16 1 15 18 1 M CHG 1 15 1 M END > <Title> ZINC00515008 > <SMILES> CCC(=O)Nc1ccc(cc1)N2CC[NH+](CC2)C $$$$ C13H20N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 3 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 1 13 14 1 16 11 1 15 16 1 14 15 1 14 17 1 M CHG 1 14 1 M END > <Title> ZINC00515009 > <SMILES> CC(=O)Nc1ccc(cc1)N2CC[NH+](CC2)C $$$$ C12H16N3O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 C 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 2.7457 -3.6222 0.0000 C 0 0 0 3.7861 -4.5590 0.0000 C 0 0 0 3.4950 -5.9284 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 6 2 10 11 1 10 12 1 14 9 1 13 14 1 12 13 2 12 15 1 15 16 1 16 17 1 M CHG 1 17 1 M END > <Title> ZINC00517985 > <SMILES> CNC(=O)Oc1ccc2c(c1)c(c[nH]2)CC[NH3+] $$$$ C13H17N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.5318 -2.5020 0.0000 C 0 0 0 1.5722 -3.4388 0.0000 C 0 0 0 2.9037 -3.0062 0.0000 C 0 0 0 3.1948 -1.6368 0.0000 C 0 0 0 4.5263 -1.2042 0.0000 C 0 0 0 5.5667 -2.1409 0.0000 O 0 0 0 4.8173 0.1652 0.0000 O 0 0 0 6.1488 0.5979 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 7 8 1 9 5 1 8 9 2 9 10 1 10 11 2 11 12 1 13 8 1 12 13 2 13 14 1 14 15 2 14 16 1 16 17 1 M CHG 1 2 1 M END > <Title> ZINC00518944 > <SMILES> C[NH+](C)Cc1c[nH]c2c1cccc2C(=O)OC $$$$ C13H17N3O MOLSOFT 11061513452D 17 19 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 2.5326 2.5439 0.0000 C 0 0 0 1.4000 3.3668 0.0000 C 0 0 2 0.2674 2.5439 0.0000 C 0 0 1 1.5463 1.9745 0.0000 C 0 0 0 1.2076 0.6161 0.0000 C 0 0 0 2.9429 1.8768 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 4 5 1 4 12 1 13 12 1 1 14 3 1 1 13 14 1 13 15 1 14 15 1 15 16 1 15 17 1 M END > <Title> ZINC00519374 > <SMILES> Cc1c2c(nc(n1)NC(=O)C)C[C@@H]3[C@H]2C3(C)C $$$$ C14H22O3 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 0.4797 -1.3152 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0.8026 1.1686 0.0000 C 0 0 0 0.0945 2.2402 0.0000 C 0 0 0 -1.1545 2.1117 0.0000 C 0 0 2 -2.7036 2.3433 0.0000 C 0 0 0 -3.4477 1.1575 0.0000 O 0 0 0 -2.5827 -0.0199 0.0000 C 0 0 0 -1.1538 0.3187 0.0000 C 0 0 1 -0.6496 1.0544 0.0000 C 0 0 1 -2.0454 1.1630 0.0000 C 0 0 0 -1.1796 -1.0811 0.0000 C 0 0 0 0.0198 -1.8033 0.0000 O 0 0 0 -0.0060 -3.2030 0.0000 C 0 0 0 -1.2311 -3.8806 0.0000 O 0 0 0 1.1933 -3.9252 0.0000 C 0 0 0 0.6936 3.5056 0.0000 C 0 0 0 2 1 1 6 2 3 1 3 4 2 5 6 1 6 7 1 7 8 1 9 2 1 9 8 1 10 5 1 10 11 1 6 9 10 1 9 12 1 6 12 13 1 13 14 1 14 15 2 14 16 1 5 4 1 1 4 17 1 M END > <Title> ZINC00519500 > <SMILES> C[C@H]1C=C([C@@H]2COC[C@]1([C@H]2C)COC(=O)C)C $$$$ C14H26NO2 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 1.1250 0.8333 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 -0.1060 -2.3885 0.0000 C 0 0 1 -1.3144 -2.9962 0.0000 C 0 0 0 -0.7491 -1.9645 0.0000 C 0 0 0 0.2473 -1.2649 0.0000 C 0 0 2 1.4840 -1.9928 0.0000 C 0 0 1 1.0247 -2.9609 0.0000 C 0 0 0 2.8223 -1.5819 0.0000 O 0 0 0 3.1356 -0.2174 0.0000 C 0 0 0 2.1106 0.7362 0.0000 O 0 0 0 4.4739 0.1936 0.0000 C 0 0 0 4.7872 1.5581 0.0000 N 0 3 0 3.7622 2.5116 0.0000 C 0 0 0 6.1256 1.9690 0.0000 C 0 0 0 1.3900 -0.4561 0.0000 C 0 0 0 -1.2360 0.6574 0.0000 C 0 0 0 1 2 1 3 4 1 6 4 5 1 6 2 1 6 5 1 3 8 1 7 8 1 7 9 1 6 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 13 15 1 6 7 1 6 16 1 6 3 2 1 2 17 1 M CHG 1 13 1 M END > <Title> ZINC00519780 > <SMILES> CC1([C@H]2CC[C@@]1([C@@H](C2)OC(=O)C[NH+](C)C)C)C $$$$ C14H13NO3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 O 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 12.6000 2.4249 0.0000 O 0 0 0 10.5000 1.2124 0.0000 O 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 2 14 15 1 15 16 2 15 17 1 18 12 2 17 18 1 M END > <Title> ZINC00521701 > <SMILES> c1ccc(cc1)CCNC(=O)c2ccc(=O)oc2 $$$$ C14H19N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 3 0 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 14 1 17 18 1 M CHG 1 14 1 M END > <Title> ZINC00521778 > <SMILES> CC(=O)c1ccc(cc1)NC(=O)C[NH+]2CCCC2 $$$$ C15H21NO2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -1.0725 0.8999 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 2 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 N 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 C 0 0 0 0.7000 8.4870 0.0000 C 0 0 0 2.1000 8.4870 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 -1.0725 -0.8999 0.0000 C 0 0 0 1 2 1 4 3 1 5 6 1 7 2 1 6 7 1 4 5 1 4 8 1 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 2 3 1 2 18 1 M END > <Title> ZINC00521977 > <SMILES> CC1(C[C@H](CCO1)C(=O)NCc2ccccc2)C $$$$ C15H21NO2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -1.0725 0.8999 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 1 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 N 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 C 0 0 0 0.7000 8.4870 0.0000 C 0 0 0 2.1000 8.4870 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 -1.0725 -0.8999 0.0000 C 0 0 0 1 2 1 4 3 1 5 6 1 7 2 1 6 7 1 4 5 1 4 8 1 6 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 2 3 1 2 18 1 M END > <Title> ZINC00521978 > <SMILES> CC1(C[C@@H](CCO1)C(=O)NCc2ccccc2)C $$$$ C15H18N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 M END > <Title> ZINC00525668 > <SMILES> CN(C)c1ccc(cc1)NCc2ccccc2O $$$$ C6H11N5O MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 11 7 2 10 11 1 10 12 1 M END > <Title> ZINC00526080 > <SMILES> CC(C)C(=O)Nc1nnn(n1)C $$$$ C9H8ClN5O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 N 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 7.6712 6.2068 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 6 2 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M END > <Title> ZINC00526336 > <SMILES> Cn1nc(nn1)NC(=O)c2ccc(cc2)Cl $$$$ C12H16FN2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 N 0 3 0 2.0923 -6.2085 0.0000 C 0 0 0 2.3834 -7.5779 0.0000 C 0 0 0 1.1710 -8.2779 0.0000 C 0 0 0 0.1306 -7.3411 0.0000 C 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 11 1 14 15 1 3 4 2 3 16 1 M CHG 1 11 1 M END > <Title> ZINC00527883 > <SMILES> c1cc(ccc1NC(=O)C[NH+]2CCCC2)F $$$$ C8H8F3N3O MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 1.2124 -7.9746 0.0000 F 0 0 0 -1.2124 -6.5746 0.0000 F 0 0 0 -0.7000 -8.4870 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 12 14 1 12 15 1 M END > <Title> ZINC00528226 > <SMILES> c1cnccc1NC(=O)NCC(F)(F)F $$$$ C14H13FN2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 N 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 4 5 1 4 18 1 M END > <Title> ZINC00529238 > <SMILES> c1ccc(c(c1)C(=O)NCCc2ccncc2)F $$$$ C14H14N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 7.0000 -2.4249 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 15 16 2 15 17 1 17 18 1 M END > <Title> ZINC00529455 > <SMILES> c1ccc(cc1)COc2ccccc2C(=O)NN $$$$ C11H9N5O2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 N 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.2733 5.1381 0.0000 C 0 0 0 5.6048 5.5708 0.0000 C 0 0 0 6.1742 6.8497 0.0000 C 0 0 0 7.5665 6.9961 0.0000 C 0 0 0 8.3894 5.8634 0.0000 C 0 0 0 7.8200 4.5845 0.0000 C 0 0 0 6.4277 4.4381 0.0000 C 0 0 0 5.6048 3.3055 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 6 2 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 2 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 18 10 1 17 18 1 M END > <Title> ZINC00530318 > <SMILES> Cn1nc(nn1)NC(=O)c2cc3ccccc3o2 $$$$ C14H21N3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 2 13 14 1 14 15 2 17 12 1 16 17 2 15 16 1 15 18 1 M END > <Title> ZINC00530912 > <SMILES> CC(C)C(=O)N1CCN(CC1)c2ccc(cc2)N $$$$ C8H7N3OS MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 N 0 0 0 -0.4710 -4.6406 0.0000 N 0 0 0 -1.6834 -3.9406 0.0000 C 0 0 0 -1.3923 -2.5712 0.0000 S 0 0 0 -2.9624 -4.5100 0.0000 N 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 3 4 2 3 13 1 M END > <Title> ZINC00530971 > <SMILES> c1cc(ccc1c2nnc(s2)N)O $$$$ C9H8FN5O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 N 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 7.6712 6.2068 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 6 2 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 M END > <Title> ZINC00531054 > <SMILES> Cn1nc(nn1)NC(=O)c2ccc(cc2)F $$$$ C11H13N3OS MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 4.1694 0.2911 0.0000 S 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 N 0 0 0 5.5282 2.3834 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 12 7 1 11 12 1 4 5 1 4 13 1 13 14 1 15 3 1 14 15 2 14 16 1 M END > <Title> ZINC00531558 > <SMILES> c1cc2c(cc1N3CCOCC3)sc(n2)N $$$$ C12H17ClN2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 Cl 0 0 0 8.4000 0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 9 10 1 10 11 2 13 8 1 12 13 2 13 14 1 11 12 1 11 15 1 M END > <Title> ZINC00532170 > <SMILES> CC1CCN(CC1)c2ccc(cc2Cl)N $$$$ C12H13N3O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 N 0 0 0 8.4000 4.8497 0.0000 C 0 0 0 9.1000 6.0622 0.0000 O 0 0 0 9.1000 3.6373 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 1 13 14 2 13 15 1 16 10 1 15 16 1 16 17 2 M END > <Title> ZINC00536699 > <SMILES> c1ccc(cc1)CCNc2c[nH]c(=O)[nH]c2=O $$$$ C14H21N3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 M END > <Title> ZINC00539106 > <SMILES> CC(C)C(=O)N1CCN(CC1)c2ccccc2N $$$$ C9H16N2O4 MOLSOFT 11061513452D 15 15 0 0 1 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 1 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 O 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -6.3000 -3.6373 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2 1 1 6 3 4 2 3 5 1 5 6 1 2 3 1 2 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00541010 > <SMILES> C[C@@H](C(=O)OC)NC(=O)N1CCOCC1 $$$$ C10H17N3O4 MOLSOFT 11061513452D 17 17 0 0 1 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 1 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 12 6 1 12 10 1 12 13 1 1 13 14 1 14 15 2 14 16 1 16 17 1 M END > <Title> ZINC00542893 > <SMILES> CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC $$$$ C10H9N3O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.6185 -1.0903 0.0000 C 0 0 0 5.4414 -2.2229 0.0000 C 0 0 0 4.6185 -3.3555 0.0000 C 0 0 0 3.2870 -2.9229 0.0000 O 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.0423 3.7956 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 6 7 2 8 4 1 7 8 1 7 9 1 9 10 2 10 11 1 11 12 2 13 9 1 12 13 1 5 6 1 5 14 1 14 15 3 M END > <Title> ZINC00544945 > <SMILES> CN(C)c1c(nc(o1)c2ccco2)C#N $$$$ C9H14N2O4 MOLSOFT 11061513452D 15 15 0 0 1 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 2 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 7 8 1 8 9 2 10 4 1 10 8 1 10 11 1 6 11 12 1 12 13 2 12 14 1 14 15 1 M END > <Title> ZINC00545533 > <SMILES> CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC $$$$ C12H15N3O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 16 8 2 15 16 1 M END > <Title> ZINC00549915 > <SMILES> CC(C)C(=O)NCc1[nH]c2ccccc2n1 $$$$ C10H11NO4 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 O 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 11 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00550489 > <SMILES> COC(=O)NCc1ccc2c(c1)OCO2 $$$$ C9H13N3O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 3.5000 6.0622 0.0000 N 0 0 0 1 2 1 2 3 1 4 5 1 6 1 1 5 6 1 6 7 1 7 8 2 7 9 1 3 4 1 3 10 1 10 11 2 10 12 1 12 13 1 13 14 3 M END > <Title> ZINC00555297 > <SMILES> C1CN(CCC1C(=O)N)C(=O)CC#N $$$$ C7H13N5O MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 11 7 2 10 11 1 10 12 1 12 13 1 M END > <Title> ZINC00557550 > <SMILES> CCCC(=O)Nc1nnn(n1)CC $$$$ C12H15N5O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 N 0 0 0 8.4544 1.9124 0.0000 N 0 0 0 8.4544 0.5124 0.0000 N 0 0 0 7.1229 0.0798 0.0000 N 0 0 0 9.5870 -0.3105 0.0000 C 0 0 0 10.8660 0.2590 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 16 12 2 15 16 1 15 17 1 17 18 1 M END > <Title> ZINC00557675 > <SMILES> CCc1ccc(cc1)C(=O)Nc2nnn(n2)CC $$$$ C11H13N5O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.2923 -3.7836 0.0000 N 0 0 0 6.5834 -5.1531 0.0000 N 0 0 0 5.3710 -5.8531 0.0000 N 0 0 0 4.3306 -4.9163 0.0000 N 0 0 0 5.2246 -7.2454 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 8 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 17 13 2 16 17 1 16 18 1 M END > <Title> ZINC00558131 > <SMILES> CCOc1cccc(c1)C(=O)Nc2nnn(n2)C $$$$ C11H13N5O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 N 0 0 0 8.4544 1.9124 0.0000 N 0 0 0 8.4544 0.5124 0.0000 N 0 0 0 7.1229 0.0798 0.0000 N 0 0 0 9.5870 -0.3105 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 17 13 2 16 17 1 16 18 1 M END > <Title> ZINC00558135 > <SMILES> CCOc1ccc(cc1)C(=O)Nc2nnn(n2)C $$$$ C15H22N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 13 14 1 14 15 1 17 12 1 16 17 1 15 16 1 15 18 1 M END > <Title> ZINC00559767 > <SMILES> CCC(=O)Nc1ccc(cc1)N2CCC(CC2)C $$$$ C15H17NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -6.3000 -1.2124 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 18 9 2 17 18 1 M END > <Title> ZINC00564233 > <SMILES> CC(C)NC(=O)COc1ccc2ccccc2c1 $$$$ C13H18N3O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 N 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 O 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 7.4870 1.5229 0.0000 C 0 0 0 7.3407 2.9152 0.0000 N 0 3 0 8.4733 3.7381 0.0000 C 0 0 0 9.7522 3.1687 0.0000 C 0 0 0 8.3269 5.1305 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 1 9 10 2 12 8 2 11 12 1 10 11 1 10 13 1 13 14 1 14 15 1 15 16 1 15 17 1 M CHG 1 14 1 M END > <Title> ZINC00564327 > <SMILES> Cc1ccc(cc1)c2nc(on2)C[NH2+]C(C)C $$$$ C11H9FO2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 C 0 0 0 -1.3923 -2.5712 0.0000 O 0 0 0 -2.9624 -4.5100 0.0000 C 0 0 0 -3.1087 -5.9024 0.0000 O 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 1 3 4 2 3 14 1 M END > <Title> ZINC00569346 > <SMILES> c1cc(ccc1c2ccc(o2)CO)F $$$$ C12H9O3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.1923 -2.5712 0.0000 C 0 0 0 4.4834 -3.9406 0.0000 C 0 0 0 3.2710 -4.6406 0.0000 C 0 0 0 2.2306 -3.7038 0.0000 O 0 0 0 3.1246 -6.0329 0.0000 C 0 0 0 1.8457 -6.6024 0.0000 O 0 0 0 4.2573 -6.8558 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 2 9 10 1 10 11 2 12 8 1 11 12 1 11 13 1 13 14 2 13 15 1 M CHG 1 15 -1 M END > <Title> ZINC00569363 > <SMILES> Cc1cccc(c1)c2ccc(o2)C(=O)[O-] $$$$ C9H11N5O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 N 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.9159 1.7148 0.0000 O 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7432 4.5193 0.0000 C 0 0 0 -2.7432 5.9193 0.0000 C 0 0 0 -1.4118 6.3519 0.0000 C 0 0 0 -0.5889 5.2193 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 6 7 1 8 4 1 7 8 2 5 6 2 5 9 1 9 10 1 10 11 2 10 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M END > <Title> ZINC00569439 > <SMILES> CCCn1c(nnn1)NC(=O)c2ccco2 $$$$ C13H16N2S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 S 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 M END > <Title> ZINC00570678 > <SMILES> CN(C)c1ccc(cc1)NCc2cccs2 $$$$ C11H17N2 MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 2.8000 4.8497 0.0000 C 0 0 0 2.2306 6.1287 0.0000 C 0 0 0 3.2710 7.0655 0.0000 C 0 0 0 4.4834 6.3655 0.0000 C 0 0 0 4.1923 4.9961 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 3 4 1 3 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 13 9 1 12 13 1 M CHG 1 8 1 M END > <Title> ZINC00570736 > <SMILES> c1cc(cnc1)C[NH2+]C2CCCC2 $$$$ C11H16NO3 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 1 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 O 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 O 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 2 1 1 6 3 4 1 4 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 6 2 10 11 1 10 12 1 12 13 1 14 9 1 13 14 1 2 3 1 2 15 1 M CHG 1 4 1 M END > <Title> ZINC00570841 > <SMILES> C[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)O $$$$ C17H17N2 MOLSOFT 11061513452D 19 21 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 N 0 3 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 7.2746 0.0000 N 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 5 7 1 7 8 2 8 9 1 10 4 1 9 10 2 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 2 16 17 1 17 18 2 19 14 2 18 19 1 M CHG 1 12 1 M END > <Title> ZINC00571076 > <SMILES> c1ccc2c(c1)cccc2C[NH2+]Cc3ccncc3 $$$$ C8H10N2O3S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.3124 -0.5124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 S 0 0 0 -0.8876 -1.9124 0.0000 O 0 0 0 -2.8000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 2 2 5 1 5 6 1 6 7 2 7 8 1 8 9 2 11 6 1 10 11 2 9 10 1 9 12 1 12 13 2 12 14 1 M END > <Title> ZINC00571755 > <SMILES> CS(=O)(=O)Nc1ccc(cc1)C(=O)N $$$$ C10H14N2O3S MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 S 0 0 0 3.6876 1.9124 0.0000 O 0 0 0 6.1124 0.5124 0.0000 O 0 0 0 5.6000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 13 14 2 13 15 2 13 16 1 M END > <Title> ZINC00571921 > <SMILES> CCNC(=O)c1ccc(cc1)NS(=O)(=O)C $$$$ C9H18N2O3S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.3124 0.5124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 S 0 0 0 -0.8876 1.9124 0.0000 O 0 0 0 -2.8000 2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 2 2 5 1 6 7 1 7 8 2 7 9 1 5 6 1 5 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00574499 > <SMILES> CS(=O)(=O)N(CC(=O)N)C1CCCCC1 $$$$ C14H14FNO MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC00575186 > <SMILES> COc1ccc(cc1)NCc2ccc(cc2)F $$$$ C12H11ClN2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 N 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 3 4 2 3 15 1 M END > <Title> ZINC00575261 > <SMILES> c1cc(ccc1NCc2ccncc2)Cl $$$$ C10H9ClN2O MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 7.7000 -6.0622 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 3 4 5 1 4 14 1 M END > <Title> ZINC00575922 > <SMILES> c1ccc(c(c1)CNC(=O)CC#N)Cl $$$$ C11H13N2S MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 3 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 N 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 M CHG 1 7 1 M END > <Title> ZINC00576441 > <SMILES> c1cc(sc1)C[NH2+]Cc2ccncc2 $$$$ C10H14Cl2NO MOLSOFT 11061513452D 14 14 0 0 1 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 1 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 Cl 0 0 0 -0.0000 2.4249 0.0000 Cl 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 2 1 1 6 3 4 1 4 5 1 5 6 1 6 7 2 8 9 2 9 10 1 11 6 1 10 11 2 11 12 1 7 8 1 7 13 1 2 3 1 2 14 1 M CHG 1 4 1 M END > <Title> ZINC00576510 > <SMILES> C[C@@H](C[NH2+]Cc1c(cccc1Cl)Cl)O $$$$ C14H19NO2 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 2 9.2229 3.5575 0.0000 C 0 0 0 10.5544 3.1249 0.0000 C 0 0 0 10.5544 1.7249 0.0000 C 0 0 0 9.2229 1.2922 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 2 9 11 1 11 12 1 13 12 1 6 13 14 1 14 15 1 15 16 1 13 17 1 16 17 1 M END > <Title> ZINC00578068 > <SMILES> Cc1ccc(cc1)CC(=O)NC[C@@H]2CCCO2 $$$$ C9H9N3O2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 5.5282 -2.3834 0.0000 O 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 9 11 1 11 12 1 12 13 2 14 8 1 12 14 1 M END > <Title> ZINC00580944 > <SMILES> CC(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2 $$$$ C13H16N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 12 14 1 14 15 1 15 16 1 16 17 1 18 14 1 17 18 1 M END > <Title> ZINC00610204 > <SMILES> CC(=O)Nc1ccc(cc1)OC(=O)N2CCCC2 $$$$ C9H7F2N5O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 F 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 N 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 0.7077 6.2085 0.0000 C 0 0 0 0.4166 7.5779 0.0000 N 0 0 0 1.6290 8.2779 0.0000 N 0 0 0 2.6694 7.3411 0.0000 C 0 0 0 1 2 1 2 3 2 6 1 2 5 6 1 6 7 1 4 5 2 4 8 1 3 4 1 3 9 1 9 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 17 13 1 16 17 2 M END > <Title> ZINC00610949 > <SMILES> c1cc(c(cc1F)F)NC(=O)Nn2cnnc2 $$$$ C11H13N5O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.1229 -2.5047 0.0000 C 0 0 0 8.4544 -2.9373 0.0000 N 0 0 0 8.4544 -4.3373 0.0000 N 0 0 0 7.1229 -4.7699 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 2 14 15 1 16 12 1 15 16 2 5 6 2 5 17 1 17 18 1 M END > <Title> ZINC00611720 > <SMILES> Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC $$$$ C13H16N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.5694 -6.1287 0.0000 C 0 0 0 -0.4710 -7.0655 0.0000 C 0 0 0 -1.6834 -6.3655 0.0000 C 0 0 0 -1.3923 -4.9961 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 5 1 9 10 2 10 11 1 11 12 1 12 13 2 12 14 1 14 15 1 15 16 1 16 17 1 18 14 1 17 18 1 M END > <Title> ZINC00612200 > <SMILES> COC(=O)c1ccccc1NC(=O)N2CCCC2 $$$$ C14H20N3 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 C 0 0 0 6.7406 -1.6834 0.0000 N 0 3 0 6.6360 -0.2873 0.0000 C 0 0 0 7.6623 0.6649 0.0000 C 0 0 0 9.0466 0.4563 0.0000 C 0 0 0 9.7466 -0.7562 0.0000 C 0 0 0 9.2352 -2.0594 0.0000 C 0 0 0 7.8974 -2.4721 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 9 4 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 11 1 16 17 1 M CHG 1 11 1 M END > <Title> ZINC00612220 > <SMILES> c1ccc2c(c1)[nH]c(n2)C[NH+]3CCCCCC3 $$$$ C15H18N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.3923 -4.9961 0.0000 C 0 0 0 8.6834 -6.3655 0.0000 C 0 0 0 7.4710 -7.0655 0.0000 C 0 0 0 6.4306 -6.1287 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 3.5000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 12 1 15 16 1 3 4 1 3 17 1 17 18 3 M END > <Title> ZINC00618437 > <SMILES> c1cc(cc(c1)NC(=O)CCC2CCCC2)C#N $$$$ C11H11N3O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 N 0 0 0 6.3544 0.7000 0.0000 N 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 M END > <Title> ZINC00618490 > <SMILES> CN(C)C(=O)Oc1ccc(cc1)c2nnco2 $$$$ C9H15N5OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 N 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 S 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 8 3 2 7 8 1 7 9 1 9 10 1 5 6 1 5 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00618765 > <SMILES> CNc1nc(nc(n1)SC)N2CCOCC2 $$$$ C15H17NO2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.3306 2.4914 0.0000 C 0 0 0 5.3710 3.4282 0.0000 C 0 0 0 5.3710 4.8282 0.0000 C 0 0 0 6.5834 5.5282 0.0000 C 0 0 0 7.7958 4.8282 0.0000 C 0 0 0 7.7958 3.4282 0.0000 C 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 8 10 1 10 11 2 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 18 10 1 17 18 1 M END > <Title> ZINC00620251 > <SMILES> CC1CCN(CC1)C(=O)c2cc3ccccc3o2 $$$$ C12H15N3O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.0725 0.8999 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 N 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 O 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 O 0 0 0 -1.0725 -0.8999 0.0000 C 0 0 0 1 2 1 3 4 1 5 6 1 6 7 2 8 2 1 6 8 1 4 5 2 4 9 1 9 10 1 10 11 2 11 12 1 12 13 1 13 14 2 13 15 1 16 10 1 15 16 1 16 17 2 2 3 1 2 18 1 M END > <Title> ZINC00620739 > <SMILES> CC1(CC(=CC(=O)C1)Nc2c[nH]c(=O)[nH]c2=O)C $$$$ C12H9N3O3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 8.0543 3.7005 0.0000 N 0 0 0 8.7543 4.9130 0.0000 C 0 0 0 10.1466 5.0593 0.0000 O 0 0 0 7.8175 5.9534 0.0000 N 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 15 16 1 16 17 2 18 12 1 16 18 1 M END > <Title> ZINC00621487 > <SMILES> c1cc(oc1)C(=O)Nc2ccc3c(c2)[nH]c(=O)[nH]3 $$$$ C11H14ClNO2 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 4 5 1 2 4 1 2 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 M END > <Title> ZINC00621626 > <SMILES> CC(C)(CO)NC(=O)c1cccc(c1)Cl $$$$ C10H11N3O2S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 5.7917 -1.4000 0.0000 O 0 0 0 7.0041 -0.7000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 14 6 1 13 14 1 11 12 2 11 15 1 15 16 1 M END > <Title> ZINC00712157 > <SMILES> CNC(=O)Nc1nc2ccc(cc2s1)OC $$$$ C13H9NO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 3.5000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 3 4 1 3 14 1 14 15 3 M END > <Title> ZINC00731160 > <SMILES> c1cc(cc(c1)c2ccc(cc2)O)C#N $$$$ C13H9NO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 3.5000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 11 13 1 3 4 1 3 14 1 14 15 3 M END > <Title> ZINC00731161 > <SMILES> c1cc(cc(c1)c2cccc(c2)O)C#N $$$$ C11H20N3 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.9791 2.7552 0.0000 N 0 3 0 -1.8355 1.6477 0.0000 C 0 0 0 -3.2354 1.6267 0.0000 C 0 0 0 -4.1246 2.7081 0.0000 C 0 0 0 -3.8335 4.0775 0.0000 C 0 0 0 -2.5813 4.7038 0.0000 C 0 0 0 -1.3110 4.1153 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 2 1 5 6 1 3 4 1 3 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 8 1 13 14 1 M CHG 1 8 1 M END > <Title> ZINC00757133 > <SMILES> Cc1c(nc[nH]1)C[NH+]2CCCCCC2 $$$$ C14H21N2O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 3 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 14 9 1 13 14 1 12 13 1 12 15 1 15 16 2 15 17 1 M CHG 1 9 1 M END > <Title> ZINC00757318 > <SMILES> c1ccc(cc1)CC[NH+]2CCC(CC2)C(=O)N $$$$ C11H21N2O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 3 0 4.9000 1.2124 0.0000 C 0 0 0 4.9000 2.6124 0.0000 C 0 0 0 6.1124 1.9124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 1 11 6 1 10 11 1 9 10 1 9 12 1 12 13 1 13 14 1 15 13 1 14 15 1 M CHG 1 12 1 M END > <Title> ZINC00757798 > <SMILES> CCOC(=O)N1CCC(CC1)[NH2+]C2CC2 $$$$ C12H18FN2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 -0.0000 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 M CHG 1 2 1 M END > <Title> ZINC00761384 > <SMILES> C[NH+]1CCC(CC1)Nc2ccccc2F $$$$ C13H20FN2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 -0.0000 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 8 3 1 7 8 1 6 7 1 6 9 1 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 M CHG 1 3 1 M END > <Title> ZINC00766484 > <SMILES> CC[NH+]1CCC(CC1)Nc2ccccc2F $$$$ C13H18N2O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 C 0 0 0 0.7000 8.4870 0.0000 C 0 0 0 2.1000 8.4870 0.0000 C 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 3 4 1 3 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC00780041 > <SMILES> c1cc(cnc1)NC(=O)CC2CCCCC2 $$$$ C10H13N3S MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 S 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.5318 -2.5020 0.0000 C 0 0 0 1.5722 -3.4388 0.0000 N 0 0 0 2.9037 -3.0062 0.0000 C 0 0 0 3.1948 -1.6368 0.0000 N 0 0 0 -0.7997 -2.9347 0.0000 N 0 0 0 -1.8401 -1.9979 0.0000 C 0 0 0 -1.0907 -4.3041 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 1 6 2 1 5 6 2 6 7 1 8 9 1 10 5 1 9 10 2 7 8 2 7 11 1 11 12 1 11 13 1 3 4 1 3 14 1 M END > <Title> ZINC00784866 > <SMILES> Cc1c(sc2c1c(ncn2)N(C)C)C $$$$ C13H17N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 9.1000 1.2124 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 9 10 1 10 11 2 13 8 1 12 13 2 13 14 1 11 12 1 11 15 1 15 16 2 15 17 1 M CHG 1 17 -1 M END > <Title> ZINC00793218 > <SMILES> CC1CCN(CC1)c2ccc(cc2N)C(=O)[O-] $$$$ C14H13N3O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.1923 -2.5712 0.0000 N 0 0 0 4.4834 -3.9406 0.0000 C 0 0 0 5.6958 -4.6406 0.0000 C 0 0 0 5.6958 -6.0406 0.0000 C 0 0 0 4.4834 -6.7406 0.0000 C 0 0 0 3.2710 -6.0406 0.0000 C 0 0 0 3.2710 -4.6406 0.0000 C 0 0 0 2.2306 -3.7038 0.0000 N 0 0 0 4.4834 -8.1406 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 7 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 17 9 2 16 17 1 14 15 2 14 18 1 M END > <Title> ZINC00794577 > <SMILES> COc1cccc(c1)c2[nH]c3ccc(cc3n2)N $$$$ C14H17N2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 N 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M CHG 1 9 1 M END > <Title> ZINC00795089 > <SMILES> Cc1ccc(cc1)C[NH2+]Cc2ccncc2 $$$$ C15H20NO2 MOLSOFT 11061513452D 18 20 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 2 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 4.1694 0.2911 0.0000 O 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 10 9 1 6 10 11 1 11 12 1 12 13 1 13 14 2 10 15 1 14 15 1 4 5 1 4 16 1 16 17 1 18 3 1 17 18 1 M CHG 1 8 1 M END > <Title> ZINC00795102 > <SMILES> c1cc2c(cc1C[NH2+]C[C@@H]3CCC=CC3)OCO2 $$$$ C14H15N2O2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 3 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 C 0 0 0 9.1000 -3.6373 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 9.3368 -5.8901 0.0000 O 0 0 0 10.6157 -5.3207 0.0000 C 0 0 0 10.4694 -3.9284 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 14 16 1 16 17 1 18 13 1 17 18 1 M CHG 1 8 1 M END > <Title> ZINC00795103 > <SMILES> c1ccnc(c1)C[NH2+]Cc2ccc3c(c2)OCO3 $$$$ C11H17N3OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.6185 -1.0903 0.0000 C 0 0 0 5.4414 -2.2229 0.0000 C 0 0 0 4.6185 -3.3555 0.0000 C 0 0 0 3.2870 -2.9229 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 1 13 14 1 14 15 1 16 12 1 15 16 1 M END > <Title> ZINC00795784 > <SMILES> CCCC(=O)Nc1nnc(s1)C2CCCC2 $$$$ C13H12N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.5694 -6.1287 0.0000 C 0 0 0 -0.4710 -7.0655 0.0000 C 0 0 0 -1.6834 -6.3655 0.0000 C 0 0 0 -1.3923 -4.9961 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 2 6 7 1 7 8 2 8 9 1 10 5 1 9 10 2 10 11 1 11 12 1 12 13 2 12 14 1 14 15 2 15 16 1 16 17 2 18 14 1 17 18 1 M END > <Title> ZINC00797157 > <SMILES> CNC(=O)c1ccccc1NC(=O)c2ccco2 $$$$ C10H18N2O3S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 S 0 0 0 -1.4000 1.4000 0.0000 O 0 0 0 -2.8000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.5124 1.9124 0.0000 C 0 0 0 7.5124 0.5124 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 2 2 5 1 5 6 1 6 7 1 7 8 1 10 5 1 9 10 1 8 9 1 8 11 1 11 12 2 11 13 1 13 14 1 14 15 1 16 14 1 15 16 1 M END > <Title> ZINC00798104 > <SMILES> CS(=O)(=O)N1CCC(CC1)C(=O)NC2CC2 $$$$ C12H22N2O3 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 2 14 16 1 16 17 1 M END > <Title> ZINC00800871 > <SMILES> CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC $$$$ C12H14ClNO2 MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 Cl 0 0 0 -0.0000 2.4249 0.0000 N 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -2.1000 3.6373 0.0000 C 0 0 2 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 5 6 1 7 2 1 6 7 2 7 8 1 3 4 1 3 9 1 9 10 1 10 11 2 12 10 1 6 12 13 1 13 14 1 14 15 1 12 16 1 15 16 1 M END > <Title> ZINC00804572 > <SMILES> Cc1c(cccc1Cl)NC(=O)[C@@H]2CCCO2 $$$$ C9H12N2O2S MOLSOFT 11061513452D 14 15 0 0 1 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 S 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 1 7.0301 -1.3437 0.0000 C 0 0 0 7.8530 -2.4764 0.0000 C 0 0 0 7.0301 -3.6090 0.0000 C 0 0 0 5.6986 -3.1764 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 1 6 2 1 5 6 2 5 7 1 7 8 1 8 9 2 10 8 1 1 10 11 1 11 12 1 12 13 1 10 14 1 13 14 1 M END > <Title> ZINC00804582 > <SMILES> Cc1csc(n1)NC(=O)[C@H]2CCCO2 $$$$ C12H14N2O3 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 2 2.2306 6.1287 0.0000 C 0 0 0 3.2710 7.0655 0.0000 C 0 0 0 4.4834 6.3655 0.0000 C 0 0 0 4.1923 4.9961 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 2 7 9 1 3 4 1 3 10 1 10 11 1 11 12 2 13 11 1 6 13 14 1 14 15 1 15 16 1 13 17 1 16 17 1 M END > <Title> ZINC00804618 > <SMILES> c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2 $$$$ C13H21N2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 3 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 1 7 8 1 9 4 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 12 14 1 14 15 1 M CHG 1 15 1 M END > <Title> ZINC00807970 > <SMILES> CC(C)N1CCCc2c1ccc(c2)C[NH3+] $$$$ C13H17NO2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 3 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 10.5000 1.2124 0.0000 O 0 5 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 12 7 1 11 12 1 10 11 1 10 13 1 13 14 1 14 15 2 14 16 1 M CHG 2 10 1 16 -1 M END > <Title> ZINC00808022 > <SMILES> c1ccc(cc1)C2CC[NH+](CC2)CC(=O)[O-] $$$$ C14H17N2O2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 N 0 3 0 0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 O 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 5 6 1 6 7 2 8 3 1 8 9 2 10 1 2 9 10 1 7 8 1 7 11 1 4 5 2 4 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M CHG 1 13 1 M END > <Title> ZINC00809927 > <SMILES> c1cc2c(ccc(c2nc1)O)C[NH+]3CCOCC3 $$$$ C10H16NO2 MOLSOFT 11061513452D 13 14 0 0 1 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 O 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 1.3271 -3.5045 0.0000 N 0 3 0 0.8944 -4.8360 0.0000 C 0 0 0 1.8312 -5.8764 0.0000 C 0 0 1 3.2235 -5.7300 0.0000 C 0 0 0 3.7930 -7.0090 0.0000 C 0 0 0 2.7526 -7.9458 0.0000 C 0 0 0 1.5401 -7.2458 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 1 5 1 1 4 5 2 5 6 1 6 7 1 7 8 1 9 8 1 1 9 10 1 10 11 1 11 12 1 9 13 1 12 13 1 M CHG 1 7 1 M END > <Title> ZINC00810267 > <SMILES> c1cocc1C[NH2+]C[C@H]2CCCO2 $$$$ C8H15N4OS MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 N 0 3 0 7.1239 0.1854 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 3 1 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 12 14 1 M CHG 1 12 1 M END > <Title> ZINC00811938 > <SMILES> CCc1nnc(s1)NC(=O)C[NH+](C)C $$$$ C14H19N2 MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 3 3 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.8000 -4.8497 0.0000 N 0 0 0 2 1 1 1 2 3 1 3 4 1 4 5 1 5 6 1 7 2 1 7 6 1 7 8 1 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 15 16 3 M CHG 1 7 1 M END > <Title> ZINC00812169 > <SMILES> C[C@H]1CCCC[NH+]1Cc2ccccc2C#N $$$$ C15H14FN2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 3 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 C 0 0 0 2.1000 -8.4870 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 C 0 0 0 2.8000 -9.6995 0.0000 F 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 3.5000 3.6373 0.0000 N 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 15 10 2 14 15 1 13 14 2 13 16 1 3 4 2 3 17 1 17 18 3 M CHG 1 8 1 M END > <Title> ZINC00812223 > <SMILES> c1cc(ccc1C[NH2+]Cc2ccc(cc2)F)C#N $$$$ C11H13N3OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.5000 -2.6124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -3.5000 0.1876 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 N 0 0 0 4.1694 -0.2911 0.0000 S 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 12 14 1 14 15 2 16 11 1 15 16 1 M END > <Title> ZINC00813685 > <SMILES> CC(C)(C)NC(=O)c1ccc2c(c1)nns2 $$$$ C14H16N2O2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 1 -4.2000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 1 2 1 3 2 1 3 4 1 1 3 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 2 12 8 2 11 12 1 10 11 1 10 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00815042 > <SMILES> CC[C@@H](C)NC(=O)c1cc(on1)c2ccccc2 $$$$ C14H16N2O2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 2 -4.2000 -0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 1 2 1 3 2 1 3 4 1 6 3 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 2 12 8 2 11 12 1 10 11 1 10 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00815043 > <SMILES> CC[C@H](C)NC(=O)c1cc(on1)c2ccccc2 $$$$ C14H21N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 3 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 C 0 0 0 9.1000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 3 2 7 8 1 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 15 10 1 14 15 1 13 14 1 13 16 1 16 17 2 16 18 1 M CHG 1 10 1 M END > <Title> ZINC00819567 > <SMILES> COc1cccc(c1)C[NH+]2CCC(CC2)C(=O)N $$$$ C12H11NO3S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 8 9 1 6 7 1 6 10 1 10 11 1 11 12 2 11 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 M END > <Title> ZINC00822785 > <SMILES> COc1ccc(cc1O)NC(=O)c2cccs2 $$$$ C13H13N5 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 3.0368 -2.5969 0.0000 C 0 0 0 4.3157 -3.1663 0.0000 N 0 0 0 4.1694 -4.5587 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 5.2098 -5.4954 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 7 2 1 6 7 2 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 14 10 2 14 15 1 15 16 2 17 9 2 16 17 1 13 14 1 13 18 1 M END > <Title> ZINC00838235 > <SMILES> Cc1ccccc1Nc2c3cnn(c3ncn2)C $$$$ C11H13N3O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.5318 2.5020 0.0000 C 0 0 0 1.5722 3.4388 0.0000 C 0 0 0 2.9037 3.0062 0.0000 C 0 0 0 3.1948 1.6368 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 N 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 2.6965 -3.2134 0.0000 O 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 9 10 1 11 3 1 10 11 2 11 12 1 12 13 1 13 14 2 13 15 1 M END > <Title> ZINC00845899 > <SMILES> CCn1c2ccccc2nc1NC(=O)C $$$$ C10H16N4O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 -2.4641 0.0000 N 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 2.6965 -3.2134 0.0000 O 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 1.8312 -5.8764 0.0000 C 0 0 0 3.2006 -5.5853 0.0000 C 0 0 0 4.1374 -6.6257 0.0000 C 0 0 0 3.7048 -7.9572 0.0000 C 0 0 0 2.3354 -8.2483 0.0000 C 0 0 0 1.3986 -7.2079 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 5 1 1 4 5 1 5 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M END > <Title> ZINC00859043 > <SMILES> c1nncn1NC(=O)CC2CCCCC2 $$$$ C15H16N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 O 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 C 0 0 0 -7.7000 -3.6373 0.0000 C 0 0 0 -8.4000 -2.4249 0.0000 C 0 0 0 -7.7000 -1.2124 0.0000 C 0 0 0 -6.3000 -1.2124 0.0000 C 0 0 0 1 2 1 3 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 2 3 1 2 11 1 11 12 2 11 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00859193 > <SMILES> CN(CCc1ccccn1)C(=O)c2ccccc2 $$$$ C16H23NO MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC00859957 > <SMILES> CC1CCN(CC1)C(=O)CCCc2ccccc2 $$$$ C11H14N2O3 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 9 11 1 11 12 1 12 13 2 12 14 1 14 15 1 15 16 1 M END > <Title> ZINC00860450 > <SMILES> CC(=O)Nc1cccc(c1)NC(=O)COC $$$$ C11H18N4O2 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 7 2 1 6 7 2 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 11 13 1 5 6 1 5 14 1 14 15 1 14 16 1 3 4 1 3 17 1 M END > <Title> ZINC00900772 > <SMILES> Cc1c(nc(nc1OC(=O)N(C)C)N(C)C)C $$$$ C6H7NO MOLSOFT 11061513452D 8 8 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 M END > <Title> ZINC00901466 > <SMILES> c1ccc(cc1)NO $$$$ C11H16NO3S MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 6.3000 1.2124 0.0000 C 0 0 1 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 S 0 0 0 9.8467 1.7661 0.0000 O 0 0 0 8.7455 3.2818 0.0000 O 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 C 0 0 2 6.6903 -1.2517 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 9 8 1 1 9 10 1 10 11 1 11 12 2 11 13 2 11 14 1 15 9 1 15 14 1 15 16 1 6 M CHG 1 8 1 M END > <Title> ZINC00967003 > <SMILES> c1ccc(cc1)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O $$$$ C10H15N2O3S MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 N 0 3 0 2.8000 4.8497 0.0000 C 0 0 1 2.2306 6.1287 0.0000 C 0 0 0 3.2710 7.0655 0.0000 S 0 0 0 4.0939 8.1981 0.0000 O 0 0 0 2.2306 8.0023 0.0000 O 0 0 0 4.4834 6.3655 0.0000 C 0 0 0 4.1923 4.9961 0.0000 C 0 0 2 5.1291 3.9557 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 3 4 1 3 7 1 7 8 1 9 8 1 1 9 10 1 10 11 1 11 12 2 11 13 2 11 14 1 15 9 1 15 14 1 15 16 1 6 M CHG 1 8 1 M END > <Title> ZINC00967126 > <SMILES> c1cc(cnc1)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O $$$$ C10H8S MOLSOFT 11061513452D 11 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 S 0 0 0 5.0229 -1.1326 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 11 7 2 10 11 1 M END > <Title> ZINC00967487 > <SMILES> c1ccc(cc1)c2ccsc2 $$$$ C12H13N3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 4 5 1 4 15 1 M END > <Title> ZINC00967734 > <SMILES> Cc1cc(nc(n1)Nc2ccccc2)C $$$$ C13H16N2O3 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 1.8617 3.4847 0.0000 C 0 0 0 1.7154 4.8770 0.0000 C 0 0 0 2.8480 5.6999 0.0000 N 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 O 0 0 0 1.4227 7.6617 0.0000 C 0 0 0 0.0303 7.5153 0.0000 C 0 0 0 0.5998 8.7943 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 2 14 16 1 16 17 1 18 16 1 17 18 1 M END > <Title> ZINC00970783 > <SMILES> c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3 $$$$ C11H9ClN4O MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 N 0 0 0 2.1000 -8.4870 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 -0.0000 -7.2746 0.0000 N 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 3 4 2 3 17 1 M END > <Title> ZINC00984048 > <SMILES> c1cc(ccc1NC(=O)Nc2cnccn2)Cl $$$$ C6H6N3O3S2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 S 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5523 -3.1687 0.0000 O 0 0 0 6.9776 -1.2069 0.0000 O 0 5 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 5 1 8 9 1 8 10 1 10 11 1 11 12 1 12 13 2 12 14 1 M CHG 1 14 -1 M END > <Title> ZINC00991307 > <SMILES> CC(=O)Nc1nnc(s1)SCC(=O)[O-] $$$$ C6H9N3O2S2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 S 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 O 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 4 1 7 8 1 7 9 1 9 10 1 10 11 2 10 12 1 12 13 1 M END > <Title> ZINC00995905 > <SMILES> CCSc1nnc(s1)NC(=O)OC $$$$ C6H6F3N3OS MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.7123 0.4389 0.0000 O 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.5215 -0.6437 0.0000 F 0 0 0 4.8757 -2.9090 0.0000 F 0 0 0 6.8312 -2.5993 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 3 1 6 7 1 6 8 1 8 9 1 9 10 2 9 11 1 11 12 1 11 13 1 11 14 1 M END > <Title> ZINC00997523 > <SMILES> CCc1nnc(s1)NC(=O)C(F)(F)F $$$$ C10H7F3N2O2 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 1.4000 -7.2746 0.0000 N 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 3.3124 4.3373 0.0000 F 0 0 0 0.8876 2.9373 0.0000 F 0 0 0 1.4000 4.8497 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 3 3 4 2 3 13 1 13 14 1 14 15 1 14 16 1 14 17 1 M END > <Title> ZINC00999680 > <SMILES> c1cc(ccc1NC(=O)CC#N)OC(F)(F)F $$$$ C10H11N3O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 O 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.9145 5.8305 0.0000 C 0 0 0 3.2056 7.1999 0.0000 C 0 0 0 4.5979 7.3462 0.0000 C 0 0 0 5.1673 6.0672 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 6 2 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 2 12 13 1 13 14 2 15 11 1 14 15 1 M END > <Title> ZINC01000907 > <SMILES> Cn1cc(cn1)CNC(=O)c2ccco2 $$$$ C10H15N3O2 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 O 0 0 0 4.5660 -0.9535 0.0000 N 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 2 7.2686 0.1625 0.0000 C 0 0 0 8.6610 0.3088 0.0000 C 0 0 0 9.2304 -0.9702 0.0000 C 0 0 0 8.1900 -1.9069 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 2 1 5 6 2 5 7 1 7 8 2 7 9 1 9 10 1 11 10 1 6 11 12 1 12 13 1 13 14 1 11 15 1 14 15 1 M END > <Title> ZINC01001271 > <SMILES> Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2 $$$$ C13H14FN3O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 3.6879 9.3075 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 7 3 1 6 7 2 5 6 1 5 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC01002703 > <SMILES> CCn1cc(cn1)C(=O)NCc2ccc(cc2)F $$$$ C14H14N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 9.1000 -8.4870 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC01016488 > <SMILES> c1ccnc(c1)C(=O)NCCc2ccc(cc2)O $$$$ C10H13NO2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 11 6 1 10 11 2 11 12 1 9 10 1 9 13 1 M END > <Title> ZINC01017099 > <SMILES> CCC(=O)Nc1ccc(cc1O)C $$$$ C12H10N4O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 7.2746 0.0000 N 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 2 7 9 1 3 4 1 3 10 1 10 11 1 11 12 2 11 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC01019092 > <SMILES> c1cc(ccc1C(=O)N)NC(=O)c2cnccn2 $$$$ C10H11N3OS MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -3.8216 3.4410 0.0000 C 0 0 0 -5.0340 4.1410 0.0000 C 0 0 0 -4.7429 5.5104 0.0000 C 0 0 0 -3.3506 5.6567 0.0000 S 0 0 0 1 2 1 2 3 1 4 5 1 6 2 1 5 6 2 3 4 2 3 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 11 1 14 15 1 M END > <Title> ZINC01019104 > <SMILES> Cn1c(ccn1)C(=O)NCc2cccs2 $$$$ C7H5F3N2O2S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 S 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 N 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 2.6965 -3.2134 0.0000 O 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 2.2259 -5.2686 0.0000 F 0 0 0 -0.4370 -4.4034 0.0000 F 0 0 0 0.4618 -6.1675 0.0000 F 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 O 0 0 0 4.5660 -0.9535 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 1 5 1 1 5 6 1 6 7 1 7 8 2 7 9 1 9 10 1 9 11 1 9 12 1 4 5 2 4 13 1 13 14 2 13 15 1 M END > <Title> ZINC01026192 > <SMILES> c1csc(c1NC(=O)C(F)(F)F)C(=O)N $$$$ C6H6N4O MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 N 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 2.6965 -3.2134 0.0000 O 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 1.8312 -5.8764 0.0000 C 0 0 0 2.7680 -6.9168 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 1 5 1 1 4 5 2 5 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 3 M END > <Title> ZINC01026313 > <SMILES> c1c[nH]nc1NC(=O)CC#N $$$$ C11H8N2S2 MOLSOFT 11061513452D 15 17 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.2870 2.9229 0.0000 C 0 0 0 4.6185 3.3555 0.0000 C 0 0 0 5.4414 2.2229 0.0000 C 0 0 0 4.6185 1.0903 0.0000 S 0 0 0 6.8414 2.2229 0.0000 C 0 0 0 7.6643 3.3555 0.0000 C 0 0 0 8.9958 2.9229 0.0000 C 0 0 0 8.9958 1.5229 0.0000 N 0 0 0 7.6643 1.0903 0.0000 N 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 2 7 8 1 8 9 2 10 6 1 9 10 1 9 11 1 11 12 2 12 13 1 13 14 2 15 11 1 14 15 1 M END > <Title> ZINC01039495 > <SMILES> c1cc(sc1)c2ccc(s2)c3ccn[nH]3 $$$$ C11H10ClN3 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 M END > <Title> ZINC01044283 > <SMILES> Cc1ccc(nn1)Nc2ccc(cc2)Cl $$$$ C10H7N3S MOLSOFT 11061513452D 14 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 N 0 0 0 4.1694 -0.2911 0.0000 C 0 0 0 5.2098 0.6457 0.0000 C 0 0 0 5.0635 2.0380 0.0000 C 0 0 0 6.3424 2.6075 0.0000 C 0 0 0 7.2792 1.5671 0.0000 C 0 0 0 6.5792 0.3546 0.0000 S 0 0 0 1 2 1 2 3 2 3 4 1 4 5 1 6 1 2 5 6 1 5 7 2 7 8 1 9 4 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 14 10 1 13 14 1 M END > <Title> ZINC01050997 > <SMILES> c1ccn2c(c1)nnc2c3cccs3 $$$$ C14H16N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -1.4000 1.4000 0.0000 C 0 0 0 -2.8000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 C 0 0 0 8.4544 0.5124 0.0000 O 0 0 0 7.1229 0.0798 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 2 11 13 1 13 14 1 14 15 1 15 16 2 16 17 1 18 14 2 17 18 1 M END > <Title> ZINC01051980 > <SMILES> CC(C)(C)c1ccc(cc1)C(=O)Nc2ccon2 $$$$ C14H15N3O MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -3.5000 1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 2 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -4.8497 0.0000 N 0 0 0 -5.6000 -4.8497 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 N 0 0 0 1 2 1 3 2 1 6 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 3 4 1 3 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC01053560 > <SMILES> CC[C@H](c1ccccc1)C(=O)Nc2cnccn2 $$$$ C14H20N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -3.2138 5.7092 0.0000 C 0 0 0 -4.5832 6.0003 0.0000 C 0 0 0 -5.0158 7.3318 0.0000 C 0 0 0 -4.0790 8.3722 0.0000 C 0 0 0 -2.7096 8.0811 0.0000 C 0 0 0 -2.2770 6.7496 0.0000 C 0 0 0 1 2 1 2 3 1 6 2 2 5 6 1 4 5 1 4 7 1 3 4 2 3 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 1 16 17 1 18 13 1 17 18 1 M END > <Title> ZINC01053636 > <SMILES> Cc1c(c(on1)C)C(=O)NCCC2=CCCCC2 $$$$ C10H10N2O2S MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 4.5660 0.9535 0.0000 O 0 0 0 3.1407 2.9152 0.0000 N 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.9145 5.8305 0.0000 C 0 0 0 3.2056 7.1999 0.0000 C 0 0 0 4.5979 7.3462 0.0000 C 0 0 0 5.1673 6.0672 0.0000 S 0 0 0 1 2 1 2 3 2 3 4 1 6 2 1 5 6 1 4 5 2 4 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 11 1 14 15 1 M END > <Title> ZINC01053645 > <SMILES> Cc1cc(no1)C(=O)NCc2cccs2 $$$$ C11H11ClN2O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 5.7917 1.4000 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 1 10 11 2 12 13 2 14 9 2 13 14 1 15 7 1 14 15 1 11 12 1 11 16 1 M END > <Title> ZINC01054476 > <SMILES> COC(=O)NCc1cc2cc(ccc2[nH]1)Cl $$$$ C8H10N2O3S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 9 10 2 11 7 1 10 11 1 8 9 1 8 12 1 12 13 2 12 14 1 M END > <Title> ZINC01055122 > <SMILES> CCOC(=O)Nc1c(ccs1)C(=O)N $$$$ C10H10N2O2S MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 0.2674 -2.5439 0.0000 N 0 0 0 1.4000 -3.3668 0.0000 C 0 0 0 2.5326 -2.5439 0.0000 S 0 0 0 1.4000 -4.7668 0.0000 N 0 0 0 2.6124 -5.4668 0.0000 C 0 0 0 3.8249 -4.7668 0.0000 O 0 0 0 2.6124 -6.8668 0.0000 O 0 0 0 3.8249 -7.5668 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 7 2 1 6 7 2 7 8 1 8 9 2 10 6 1 9 10 1 9 11 1 11 12 1 12 13 2 12 14 1 14 15 1 M END > <Title> ZINC01055144 > <SMILES> Cc1cccc2c1nc(s2)NC(=O)OC $$$$ C13H14N2O2 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 -3.5000 1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 1 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.6306 -3.7038 0.0000 C 0 0 0 -4.6710 -4.6406 0.0000 C 0 0 0 -5.8834 -3.9406 0.0000 O 0 0 0 -5.5923 -2.5712 0.0000 N 0 0 0 1 2 1 3 2 1 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 3 4 1 3 10 1 10 11 2 10 12 1 12 13 1 13 14 1 14 15 2 15 16 1 17 13 2 16 17 1 M END > <Title> ZINC01055644 > <SMILES> CC[C@@H](c1ccccc1)C(=O)Nc2ccon2 $$$$ C12H15N3OS MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 O 0 0 0 4.5660 -0.9535 0.0000 N 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 7.2686 0.1625 0.0000 C 0 0 0 8.6610 0.3088 0.0000 N 0 0 0 9.2304 -0.9702 0.0000 N 0 0 0 8.1900 -1.9069 0.0000 C 0 0 0 10.5998 -1.2612 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 3 1 6 7 1 6 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 1 13 14 2 14 15 1 16 12 2 15 16 1 15 17 1 M END > <Title> ZINC01056028 > <SMILES> CCc1ccc(s1)C(=O)NCc2cnn(c2)C $$$$ C13H16N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7432 4.5193 0.0000 C 0 0 0 -2.7432 5.9193 0.0000 C 0 0 0 -1.4118 6.3519 0.0000 O 0 0 0 -0.5889 5.2193 0.0000 N 0 0 0 -3.8759 6.7422 0.0000 C 0 0 0 -4.6988 5.6096 0.0000 C 0 0 0 -3.0530 7.8748 0.0000 C 0 0 0 -5.0085 7.5651 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 2 1 5 6 1 3 4 1 3 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 14 10 2 13 14 1 12 13 1 12 15 1 15 16 1 15 17 1 15 18 1 M END > <Title> ZINC01056146 > <SMILES> Cc1c(cco1)C(=O)Nc2cc(on2)C(C)(C)C $$$$ C10H10N4OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 N 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 6 1 9 10 1 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC01056223 > <SMILES> CCC(=O)Nc1nnc(s1)c2ccncc2 $$$$ C10H7ClN2O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 N 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.2306 6.1287 0.0000 C 0 0 0 3.2710 7.0655 0.0000 C 0 0 0 4.4834 6.3655 0.0000 O 0 0 0 4.1923 4.9961 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 2 8 10 1 10 11 1 11 12 1 12 13 2 13 14 1 15 11 2 14 15 1 M END > <Title> ZINC01056321 > <SMILES> c1cc(cc(c1)Cl)C(=O)Nc2ccon2 $$$$ C13H13NO2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 O 0 0 0 4.5660 -0.9535 0.0000 N 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 O 0 0 0 4.1269 -5.1305 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 2 1 5 6 1 5 7 1 7 8 2 7 9 1 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 16 17 1 M END > <Title> ZINC01056494 > <SMILES> Cc1ccc(s1)C(=O)Nc2ccccc2OC $$$$ C10H15N3O2S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 4.8570 0.4159 0.0000 C 0 0 0 6.2494 0.5623 0.0000 C 0 0 0 6.8188 -0.7167 0.0000 C 0 0 0 5.7784 -1.6535 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 6 1 9 10 1 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 12 1 15 16 1 M END > <Title> ZINC01056639 > <SMILES> COC(=O)Nc1nnc(s1)CC2CCCC2 $$$$ C12H9N5O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 O 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.2306 6.1287 0.0000 C 0 0 0 3.2710 7.0655 0.0000 N 0 0 0 4.4834 6.3655 0.0000 N 0 0 0 4.1923 4.9961 0.0000 C 0 0 0 5.2327 4.0593 0.0000 N 0 0 0 6.5642 4.4919 0.0000 C 0 0 0 6.8553 5.8613 0.0000 C 0 0 0 5.8149 6.7981 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 3 4 1 3 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 14 10 2 13 14 1 14 15 1 15 16 2 16 17 1 18 13 1 17 18 2 M END > <Title> ZINC01063912 > <SMILES> c1cc(cnc1)NC(=O)c2cnn3c2nccc3 $$$$ C11H13NO3 MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 1 0.5694 -6.1287 0.0000 C 0 0 0 -0.4710 -7.0655 0.0000 C 0 0 0 -1.6834 -6.3655 0.0000 C 0 0 0 -1.3923 -4.9961 0.0000 O 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 8 9 2 10 8 1 1 10 11 1 11 12 1 12 13 1 10 14 1 13 14 1 3 4 1 3 15 1 M END > <Title> ZINC01066406 > <SMILES> c1cc(ccc1NC(=O)[C@H]2CCCO2)O $$$$ C13H10N4O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 N 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 4.1694 0.2911 0.0000 N 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 4 5 1 4 16 1 16 17 2 18 3 1 17 18 1 M END > <Title> ZINC01070076 > <SMILES> c1cc2c(cc1C(=O)Nc3ccncc3)nc[nH]2 $$$$ C13H13N MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 12 14 1 M END > <Title> ZINC01074359 > <SMILES> Cc1ccc(cc1)c2cccc(c2)N $$$$ C4H7N3OS MOLSOFT 11061513452D 9 9 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 4 1 7 8 1 7 9 1 M END > <Title> ZINC01076074 > <SMILES> COCc1nnc(s1)N $$$$ C12H17N3O2 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -5.4124 1.7249 0.0000 C 0 0 0 -4.2000 2.4249 0.0000 C 0 0 0 -2.9876 3.1249 0.0000 C 0 0 0 -4.9000 3.6373 0.0000 C 0 0 0 -3.5000 1.2124 0.0000 N 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 15 16 2 15 17 1 M END > <Title> ZINC01077316 > <SMILES> CC(C)(C)NC(=O)Nc1ccccc1C(=O)N $$$$ C10H19NO MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 12 7 1 11 12 1 M END > <Title> ZINC01090577 > <SMILES> CNC(=O)CCC1CCCCC1 $$$$ C11H13N MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 1 6 7 2 7 8 1 8 9 2 10 5 2 9 10 1 11 3 1 10 11 1 4 5 1 4 12 1 M END > <Title> ZINC01226820 > <SMILES> CCc1c(c2ccccc2[nH]1)C $$$$ C11H15ClN2O MOLSOFT 11061513452D 15 15 0 0 1 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 2 -3.5000 -3.6373 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 1 2 1 3 2 1 3 4 1 1 3 5 1 5 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 M END > <Title> ZINC01226886 > <SMILES> CC[C@H](C)NC(=O)Nc1cccc(c1)Cl $$$$ C13H10NO2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 O 0 5 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 8 9 1 9 10 2 12 7 1 11 12 2 10 11 1 10 13 1 4 5 1 4 14 1 14 15 2 14 16 1 M CHG 1 16 -1 M END > <Title> ZINC01233107 > <SMILES> c1ccc(c(c1)c2ccc(cc2)N)C(=O)[O-] $$$$ C15H18N MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -4.8497 0.0000 C 0 0 0 -5.6000 -4.8497 0.0000 C 0 0 0 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 1 2 1 3 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 4 2 8 9 1 2 3 1 2 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M CHG 1 2 1 M END > <Title> ZINC01234761 > <SMILES> C[NH+](Cc1ccccc1)Cc2ccccc2 $$$$ C4H7N5O MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 5 1 8 9 1 9 10 1 M END > <Title> ZINC01236236 > <SMILES> CC(=O)Nc1nnnn1C $$$$ C14H18N MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 5.6000 -0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 7.7000 1.2124 0.0000 N 0 3 0 7.0000 2.4249 0.0000 C 0 0 0 7.7000 3.6373 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 9.8000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 3 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 15 10 1 14 15 1 M CHG 1 10 1 M END > <Title> ZINC01240297 > <SMILES> c1ccc(cc1)C#CC[NH+]2CCCCC2 $$$$ C12H11N5O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 3.0368 -2.2528 0.0000 N 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 -0.0000 7.2746 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 5 6 1 7 2 2 6 7 1 6 8 2 8 9 1 10 5 1 9 10 2 4 5 1 4 11 1 11 12 1 12 13 1 13 14 2 14 15 1 17 12 2 16 17 1 15 16 2 15 18 1 M END > <Title> ZINC01243299 > <SMILES> Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O $$$$ C12H11N5 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 2.8306 2.7159 0.0000 C 0 0 0 2.6843 4.1083 0.0000 N 0 0 0 3.9632 4.6777 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 14 10 2 13 14 1 14 15 1 15 16 2 17 9 2 16 17 1 M END > <Title> ZINC01248426 > <SMILES> Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2 $$$$ C11H14N MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 N 0 3 0 -6.3000 -1.2124 0.0000 C 0 0 0 -4.2000 0.0000 0.0000 C 0 0 0 -2.8000 0.0000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 3 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 M CHG 1 2 1 M END > <Title> ZINC01252167 > <SMILES> C[NH+](C)CC#Cc1ccccc1 $$$$ C14H11NO MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 1.4000 -7.2746 0.0000 N 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 11 13 1 13 14 3 3 4 1 3 15 1 15 16 1 M END > <Title> ZINC01257425 > <SMILES> c1cc(cc(c1)c2cccc(c2)C#N)CO $$$$ C14H11NO MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 3.5000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 3 4 1 3 15 1 15 16 3 M END > <Title> ZINC01257840 > <SMILES> c1cc(cc(c1)c2ccc(cc2)CO)C#N $$$$ C14H13NO2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 M END > <Title> ZINC01258204 > <SMILES> COC(=O)c1ccc(cc1)c2ccccc2N $$$$ C14H14O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 14 15 1 M END > <Title> ZINC01258567 > <SMILES> Cc1cccc(c1)c2ccc(cc2)CO $$$$ C15H13O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 10.5000 1.2124 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 1 16 17 2 16 18 1 M CHG 1 18 -1 M END > <Title> ZINC01259047 > <SMILES> COc1ccc(cc1)c2ccc(cc2)CC(=O)[O-] $$$$ C13H13NO MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 4 5 1 4 15 1 M END > <Title> ZINC01259906 > <SMILES> c1ccc(c(c1)c2ccc(cc2)CO)N $$$$ C14H15NO3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 1 10 11 2 12 13 2 14 9 2 13 14 1 14 15 1 16 7 1 15 16 1 16 17 2 11 12 1 11 18 1 M END > <Title> ZINC01261715 > <SMILES> CCC(=O)OCc1cc2cc(ccc2[nH]c1=O)C $$$$ C11H14NO2S MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 6.3000 1.2124 0.0000 C 0 0 1 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 S 0 0 0 9.8467 1.7661 0.0000 O 0 0 0 8.7455 3.2818 0.0000 O 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 9 8 1 1 9 10 1 10 11 1 11 12 2 11 13 2 11 14 1 9 15 1 14 15 2 M CHG 1 8 1 M END > <Title> ZINC01270757 > <SMILES> c1ccc(cc1)C[NH2+][C@H]2CS(=O)(=O)C=C2 $$$$ C9H13NO MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 7 2 2 7 8 1 6 7 1 6 9 1 4 5 1 4 10 1 10 11 1 M END > <Title> ZINC01280952 > <SMILES> Cc1cc(cc(c1N)C)OC $$$$ C10H9N3O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 O 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 2.8000 2.4249 0.0000 O 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 2 14 8 2 13 14 1 3 4 2 3 15 1 M END > <Title> ZINC01281317 > <SMILES> c1cc(ccc1Nc2[nH]c(=O)ccn2)O $$$$ C10H8FN3O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 F 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0.7000 3.6373 0.0000 N 0 0 0 -0.0000 4.8497 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 O 0 0 0 0.7000 6.0622 0.0000 C 0 0 0 2.1000 6.0622 0.0000 C 0 0 0 2.8000 4.8497 0.0000 N 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 5 7 1 3 4 1 3 8 1 8 9 1 9 10 1 10 11 1 11 12 2 11 13 1 13 14 2 15 9 2 14 15 1 M END > <Title> ZINC01281344 > <SMILES> c1cc(cc(c1)F)Nc2[nH]c(=O)ccn2 $$$$ C15H21NO2 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 2 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 C 0 0 0 8.6834 3.9406 0.0000 C 0 0 0 8.3923 2.5712 0.0000 O 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 2 10 12 1 12 13 1 14 13 1 6 14 15 1 15 16 1 16 17 1 14 18 1 17 18 1 M END > <Title> ZINC01284117 > <SMILES> CC(C)c1ccc(cc1)C(=O)NC[C@@H]2CCCO2 $$$$ C13H13N5 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 N 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.4674 0.1190 0.0000 C 0 0 0 5.6000 0.9419 0.0000 N 0 0 0 6.7326 0.1190 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 N 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 8.0641 0.5517 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 2 2 6 7 1 6 8 1 8 9 1 9 10 1 10 11 1 11 12 2 12 13 1 14 10 2 14 15 1 15 16 2 17 9 2 16 17 1 13 14 1 13 18 1 M END > <Title> ZINC01298979 > <SMILES> Cc1cccc(c1)Nc2c3cnn(c3ncn2)C $$$$ C12H19N2O MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 1 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 3 0 2 1 1 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 6 7 1 6 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 2 3 1 2 15 1 M CHG 1 15 1 M END > <Title> ZINC01304656 > <SMILES> C[C@@H](c1ccc(cc1)N2CCOCC2)[NH3+] $$$$ C9H9N5OS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 N 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 4 6 1 6 7 2 7 8 1 8 9 2 10 6 1 9 10 1 9 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC01348985 > <SMILES> CC(=O)N(C)c1nnc(s1)c2cnccn2 $$$$ C10H15N3O2S MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.6185 -1.0903 0.0000 C 0 0 0 5.4414 -2.2229 0.0000 C 0 0 0 4.6185 -3.3555 0.0000 C 0 0 0 3.2870 -2.9229 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 10 12 1 12 13 1 13 14 1 14 15 1 16 12 1 15 16 1 M END > <Title> ZINC01356252 > <SMILES> COCC(=O)Nc1nnc(s1)C2CCCC2 $$$$ C12H15N3O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.5124 1.9124 0.0000 C 0 0 0 7.5124 0.5124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 13 14 2 13 15 1 15 16 1 17 15 1 16 17 1 M END > <Title> ZINC01358288 > <SMILES> CCC(=O)Nc1ccc(cn1)NC(=O)C2CC2 $$$$ C13H17N3O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.5124 1.9124 0.0000 C 0 0 0 7.5124 0.5124 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 2 14 16 1 16 17 1 18 16 1 17 18 1 M END > <Title> ZINC01358483 > <SMILES> CC(C)C(=O)Nc1ccc(nc1)NC(=O)C2CC2 $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.4306 3.7038 0.0000 C 0 0 0 7.4710 4.6406 0.0000 S 0 0 0 8.6834 3.9406 0.0000 N 0 0 0 8.3923 2.5712 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 2 11 13 1 13 14 2 14 15 1 15 16 1 17 13 1 16 17 2 M END > <Title> ZINC01361032 > <SMILES> COc1ccc(cc1)CNC(=O)c2csnn2 $$$$ C10H11ClN2O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 2.0923 -3.7836 0.0000 C 0 0 0 2.3834 -5.1531 0.0000 C 0 0 0 1.1710 -5.8531 0.0000 C 0 0 0 1.0246 -7.2454 0.0000 O 0 0 0 0.1306 -4.9163 0.0000 N 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 2 13 8 1 11 13 1 3 4 2 3 14 1 M END > <Title> ZINC01385196 > <SMILES> c1cc(ccc1CN2CCC(=O)N2)Cl $$$$ C11H11N3O2S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 S 0 0 0 6.3544 -0.7000 0.0000 N 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 2 14 15 1 15 16 1 17 13 1 16 17 2 M END > <Title> ZINC01387541 > <SMILES> CCNC(=O)Oc1ccc(cc1)c2csnn2 $$$$ C9H7Cl2N3O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 N 0 0 0 -1.3923 -2.5712 0.0000 N 0 0 0 -0.3246 -6.0329 0.0000 C 0 0 0 0.9543 -6.6024 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 11 7 1 10 11 2 9 10 1 9 12 1 12 13 1 4 5 1 4 14 1 3 4 2 3 15 1 M END > <Title> ZINC01387965 > <SMILES> c1cc(c(cc1n2cc(nn2)CO)Cl)Cl $$$$ C11H8ClN5 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.3306 2.4914 0.0000 N 0 0 0 5.3710 3.4282 0.0000 N 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 N 0 0 0 7.3327 0.4220 0.0000 N 0 0 0 8.6642 0.8546 0.0000 C 0 0 0 8.9553 2.2240 0.0000 C 0 0 0 7.9149 3.1608 0.0000 C 0 0 0 9.7046 -0.0822 0.0000 Cl 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 8 1 11 12 1 12 13 1 13 14 2 16 11 1 15 16 2 14 15 1 14 17 1 M END > <Title> ZINC01388549 > <SMILES> c1ccc(cc1)Nc2nnc3n2nc(cc3)Cl $$$$ C9H11Cl2NO MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 Cl 0 0 0 4.2000 -0.0000 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 6 7 1 10 5 1 9 10 2 10 11 1 8 9 1 8 12 1 7 8 2 7 13 1 M END > <Title> ZINC01388877 > <SMILES> CC(C)Oc1cc(c(cc1Cl)Cl)N $$$$ C7H7ClN2O MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 2 8 9 2 10 5 2 9 10 1 7 8 1 7 11 1 M END > <Title> ZINC01389101 > <SMILES> CNC(=O)c1cc(ccn1)Cl $$$$ C14H18N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 9.1000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 9 4 2 8 9 1 7 8 2 7 10 1 10 11 1 11 12 1 12 13 1 15 10 1 14 15 1 13 14 1 13 16 1 16 17 2 16 18 1 M END > <Title> ZINC01389433 > <SMILES> CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)N $$$$ C10H8N2O2 MOLSOFT 11061513452D 14 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 N 0 0 0 -1.3923 -2.5712 0.0000 N 0 0 0 4.1694 0.2911 0.0000 O 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 9 10 1 11 7 2 10 11 1 4 5 1 4 12 1 12 13 1 14 3 1 13 14 1 M END > <Title> ZINC01390251 > <SMILES> c1cc2c(cc1c3cc[nH]n3)OCO2 $$$$ C13H13N3S MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 4.9000 -3.6373 0.0000 N 0 0 0 4.2000 -4.8497 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 S 0 0 0 4.9000 -6.0622 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 2 8 9 1 9 10 2 10 11 1 12 7 1 11 12 2 12 13 1 13 14 1 14 15 1 15 16 2 15 17 1 M END > <Title> ZINC01392581 > <SMILES> c1ccc(cc1)c2ccccc2NNC(=S)N $$$$ C11H17N3S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -1.4000 1.4000 0.0000 C 0 0 0 -2.8000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 S 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 1 13 14 2 13 15 1 M END > <Title> ZINC01392609 > <SMILES> CC(C)(C)c1ccc(cc1)NNC(=S)N $$$$ C11H13NO5 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 2 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 -0.9791 -2.7552 0.0000 O 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 2.7194 -3.3582 0.0000 C 0 0 0 3.2888 -4.6371 0.0000 C 0 0 0 2.2484 -5.5739 0.0000 C 0 0 0 1.0360 -4.8739 0.0000 O 0 0 0 3.2870 1.5229 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 5 3 1 6 5 6 1 7 6 1 5 9 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 7 8 1 7 17 1 1 M END > <Title> ZINC01393275 > <SMILES> COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O $$$$ C11H13NO5 MOLSOFT 11061513452D 17 18 0 0 1 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 1 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 -0.9791 -2.7552 0.0000 O 0 0 0 1.3271 -3.5045 0.0000 C 0 0 0 2.7194 -3.3582 0.0000 C 0 0 0 3.2888 -4.6371 0.0000 C 0 0 0 2.2484 -5.5739 0.0000 C 0 0 0 1.0360 -4.8739 0.0000 O 0 0 0 3.2870 1.5229 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 5 3 1 6 5 6 1 7 6 1 5 9 1 8 9 1 9 10 1 10 11 2 10 12 1 12 13 2 13 14 1 14 15 2 16 12 1 15 16 1 7 8 1 7 17 1 6 M END > <Title> ZINC01393277 > <SMILES> COC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccco2)O $$$$ C13H14N2O3 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 6.6849 3.9916 0.0000 O 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 6 1 9 10 1 8 9 2 8 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 17 18 1 M END > <Title> ZINC01393801 > <SMILES> CC(=O)NCc1cc(no1)c2ccc(cc2)OC $$$$ C12H11N2O4 MOLSOFT 11061513452D 18 19 0 0 1 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 1 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 O 0 0 0 4.9000 -1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 O 0 0 0 6.3000 3.6373 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 9 6 1 1 9 10 1 10 11 2 12 13 1 13 14 2 9 15 1 13 15 1 11 12 1 11 16 1 16 17 2 16 18 1 M CHG 1 18 -1 M END > <Title> ZINC01396133 > <SMILES> COc1ccc(cc1)[C@H]2C=C(NC(=O)N2)C(=O)[O-] $$$$ C7H18N3O2S MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.2000 1.4000 0.0000 O 0 0 0 4.2000 -1.4000 0.0000 O 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 8 10 2 8 11 1 11 12 1 11 13 1 M CHG 1 2 1 M END > <Title> ZINC01396467 > <SMILES> C[NH+]1CCN(CC1)S(=O)(=O)N(C)C $$$$ C8H8F3NO2S MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.9412 2.0315 0.0000 F 0 0 0 1.7218 2.8967 0.0000 F 0 0 0 -0.0423 3.7956 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 2 8 9 2 10 6 1 9 10 1 9 11 1 7 8 1 7 12 1 12 13 1 12 14 1 12 15 1 M END > <Title> ZINC01400156 > <SMILES> CCOC(=O)c1c(nc(s1)C)C(F)(F)F $$$$ C12H11N3O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 11 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC01401994 > <SMILES> CC(=O)Nc1ccc(cc1)Oc2ncccn2 $$$$ C12H10N4 MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 N 0 0 0 -1.3923 -2.5712 0.0000 N 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 2.2306 3.7038 0.0000 C 0 0 0 3.2710 4.6406 0.0000 C 0 0 0 4.4834 3.9406 0.0000 N 0 0 0 4.1923 2.5712 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 7 1 10 11 1 3 4 1 3 12 1 12 13 1 13 14 2 14 15 1 16 12 1 15 16 2 M END > <Title> ZINC01402339 > <SMILES> c1cc(ccc1c2ccn[nH]2)n3ccnc3 $$$$ C3H3N3O2S MOLSOFT 11061513452D 9 9 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.4118 4.0867 0.0000 O 0 0 0 1 2 2 3 4 2 5 1 1 4 5 1 2 3 1 2 6 1 6 7 2 6 8 1 8 9 1 M END > <Title> ZINC01403330 > <SMILES> c1c(nns1)C(=O)NO $$$$ C7H9N3O2S MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.9159 1.7148 0.0000 C 0 0 0 -3.2853 2.0059 0.0000 C 0 0 0 -3.7179 3.3373 0.0000 O 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 1 2 2 3 4 2 5 1 1 4 5 1 2 3 1 2 6 1 6 7 2 6 8 1 8 9 1 9 10 1 10 11 1 11 12 1 13 8 1 12 13 1 M END > <Title> ZINC01403376 > <SMILES> c1c(nns1)C(=O)N2CCOCC2 $$$$ C11H11NO2 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 N 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 C 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 3.1407 -2.9152 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 4 1 7 8 1 7 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 M END > <Title> ZINC01404517 > <SMILES> CCOc1cnc(o1)c2ccccc2 $$$$ C15H12O MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.8000 0.0000 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 1 2 3 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC01405437 > <SMILES> C#Cc1ccc(cc1)OCc2ccccc2 $$$$ C9H17N2O3 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 3 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 1 10 5 1 9 10 1 8 9 1 8 11 1 11 12 1 12 13 2 12 14 1 M CHG 1 8 1 M END > <Title> ZINC01405692 > <SMILES> COC(=O)C1CC[NH+](CC1)CC(=O)N $$$$ C8H9ClF2N2O MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 N 0 0 0 6.9776 -1.2069 0.0000 C 0 0 0 7.1239 0.1854 0.0000 O 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 8.9331 -0.8972 0.0000 F 0 0 0 7.2873 -3.1625 0.0000 F 0 0 0 9.2428 -2.8527 0.0000 Cl 0 0 0 1 2 1 2 3 2 3 4 1 5 1 2 4 5 1 4 6 1 6 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 11 13 1 11 14 1 M END > <Title> ZINC01406508 > <SMILES> c1ccn(c1)CCNC(=O)C(F)(F)Cl $$$$ C10H8ClN3 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 N 0 0 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 N 0 0 0 -3.5000 -3.6373 0.0000 N 0 0 0 2.8000 2.4249 0.0000 Cl 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 11 13 1 3 4 2 3 14 1 M END > <Title> ZINC01407761 > <SMILES> c1cc(ccc1c2ccnc(n2)N)Cl $$$$ C9H11NO3 MOLSOFT 11061513452D 13 13 0 0 1 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 1 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 O 0 5 0 4.9000 -1.2124 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 8 3 1 7 8 2 6 7 1 9 6 1 10 11 2 10 12 1 9 10 1 9 13 1 1 M CHG 2 12 -1 13 1 M END > <Title> ZINC01420506 > <SMILES> COc1ccc(cc1)[C@@H](C(=O)[O-])[NH3+] $$$$ C10H6N4OS MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.2870 2.9229 0.0000 N 0 0 0 4.6185 3.3555 0.0000 C 0 0 0 5.4414 2.2229 0.0000 O 0 0 0 4.6185 1.0903 0.0000 N 0 0 0 5.0511 4.6870 0.0000 C 0 0 0 4.1143 5.7274 0.0000 C 0 0 0 4.5469 7.0589 0.0000 N 0 0 0 5.9164 7.3500 0.0000 C 0 0 0 6.8531 6.3096 0.0000 C 0 0 0 6.4205 4.9781 0.0000 N 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 2 10 6 2 9 10 1 8 9 1 8 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 M END > <Title> ZINC01421827 > <SMILES> c1cc(sc1)c2nc(on2)c3cnccn3 $$$$ C13H14N2O2 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -0.0000 -6.2497 0.0000 C 0 0 0 -1.2124 -5.5497 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 O 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 12 10 1 11 12 1 4 5 1 4 13 1 13 14 1 14 15 2 14 16 1 17 3 1 16 17 1 M END > <Title> ZINC01425337 > <SMILES> c1cc2c(cc1NC(=O)C3CC3)NC(=O)CC2 $$$$ C10H9NO3 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 3 M END > <Title> ZINC01425998 > <SMILES> COC(=O)COc1ccc(cc1)C#N $$$$ C8H7N3O2S MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.2870 2.9229 0.0000 C 0 0 0 4.6185 3.3555 0.0000 C 0 0 0 5.4414 2.2229 0.0000 C 0 0 0 4.6185 1.0903 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 2 6 7 1 9 5 1 8 9 1 7 8 2 7 10 1 10 11 2 11 12 1 12 13 2 14 10 1 13 14 1 M END > <Title> ZINC01426601 > <SMILES> CNC(=O)c1nc(no1)c2cccs2 $$$$ C13H19NOS MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 N 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 2.8480 5.6999 0.0000 O 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 5.1132 7.3457 0.0000 C 0 0 0 6.2459 8.1686 0.0000 C 0 0 0 7.5248 7.5992 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 16 11 1 15 16 1 M END > <Title> ZINC01428295 > <SMILES> c1cc(sc1)CCNC(=O)C2CCCCC2 $$$$ C12H19NO3 MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 2.4193 -4.2032 0.0000 C 0 0 0 1.2078 -3.5016 0.0000 C 0 0 0 1.2096 -2.1016 0.0000 N 0 0 0 -0.0019 -1.4000 0.0000 C 0 0 0 -1.2152 -2.0984 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 -1.2084 -0.6077 0.0000 C 0 0 0 -0.6431 0.4240 0.0000 C 0 0 0 0.3533 1.1236 0.0000 C 0 0 2 0.1060 2.3885 0.0000 C 0 0 0 1.2310 3.2218 0.0000 C 0 0 0 -1.1300 3.0459 0.0000 C 0 0 0 1.5900 0.3957 0.0000 C 0 0 0 2.9283 0.8066 0.0000 O 0 0 0 1.1307 -0.5724 0.0000 O 0 0 0 1.4960 1.9324 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 4 1 6 6 7 1 7 8 1 9 8 1 6 10 1 10 11 1 10 12 1 9 10 1 13 14 2 6 15 1 13 15 1 9 13 1 9 16 1 1 M END > <Title> ZINC01430732 > <SMILES> CCNC(=O)[C@]12CC[C@](C1(C)C)(C(=O)O2)C $$$$ C10H13NO5 MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 2.1000 3.6373 0.0000 N 0 0 0 2.8000 4.8497 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 8 3 2 8 9 1 9 10 1 7 8 1 7 11 1 11 12 1 5 6 1 5 13 1 13 14 2 13 15 1 15 16 1 M END > <Title> ZINC01432265 > <SMILES> COc1cc(cc(c1OC)OC)C(=O)NO $$$$ C10H8ClN3 MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.1000 -3.6373 0.0000 N 0 0 0 -1.4000 -2.4249 0.0000 N 0 0 0 -2.1000 -6.0622 0.0000 Cl 0 0 0 2.8000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 3 4 2 3 14 1 M END > <Title> ZINC01437381 > <SMILES> c1cc(ccc1c2ccc(nn2)Cl)N $$$$ C14H14O2 MOLSOFT 11061513452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 O 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 4.2000 4.8497 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 7.2746 0.0000 O 0 0 0 1 2 1 2 3 2 4 5 2 6 1 2 5 6 1 6 7 1 7 8 1 3 4 1 3 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 1 M END > <Title> ZINC01443094 > <SMILES> c1cc(ccc1CO)c2ccc(cc2)CO $$$$ C14H14N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 -0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 N 0 0 0 12.6000 2.4249 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 2 15 17 1 17 18 1 M END > <Title> ZINC01452228 > <SMILES> c1ccc(cc1)COc2ccc(cc2)C(=O)NN $$$$ C7H11N3O2 MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 4 6 1 6 7 1 7 8 1 8 9 2 11 7 2 10 11 1 9 10 1 9 12 1 M END > <Title> ZINC01452383 > <SMILES> CCNC(=O)Nc1cc(on1)C $$$$ C9H12FNO2S MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -5.4124 -1.7249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 S 0 0 0 -2.9876 -3.1249 0.0000 O 0 0 0 -4.9000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 F 0 0 0 1 2 1 2 3 2 2 4 2 2 5 1 5 6 1 6 7 1 7 8 1 8 9 1 9 10 2 10 11 1 13 8 2 12 13 1 11 12 2 11 14 1 M END > <Title> ZINC01457001 > <SMILES> CS(=O)(=O)NCCc1ccc(cc1)F $$$$ C11H11NO3S MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 6.3000 1.2124 0.0000 C 0 0 1 7.1229 2.3451 0.0000 C 0 0 0 8.4544 1.9124 0.0000 S 0 0 0 9.8467 1.7661 0.0000 O 0 0 0 8.7455 3.2818 0.0000 O 0 0 0 8.4544 0.5124 0.0000 C 0 0 0 7.1229 0.0798 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 2 7 9 1 10 9 1 1 10 11 1 11 12 1 12 13 2 12 14 2 12 15 1 10 16 1 15 16 2 M END > <Title> ZINC01462232 > <SMILES> c1ccc(cc1)C(=O)N[C@H]2CS(=O)(=O)C=C2 $$$$ C14H12N2O2 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.3668 1.4000 0.0000 C 0 0 0 4.5792 0.7000 0.0000 C 0 0 0 4.5792 -0.7000 0.0000 C 0 0 0 3.3668 -1.4000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 5.7917 1.4000 0.0000 N 0 0 0 5.7917 2.8000 0.0000 C 0 0 0 4.5792 3.5000 0.0000 O 0 0 0 7.0041 3.5000 0.0000 C 0 0 0 7.1505 4.8923 0.0000 C 0 0 0 8.5199 5.1834 0.0000 C 0 0 0 9.2199 3.9710 0.0000 C 0 0 0 8.2831 2.9306 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 1 5 6 2 7 8 2 9 4 2 8 9 1 10 2 1 9 10 1 6 7 1 6 11 1 11 12 1 12 13 2 12 14 1 14 15 2 15 16 1 16 17 2 18 14 1 17 18 1 M END > <Title> ZINC01463264 > <SMILES> Cc1cc2cc(ccc2[nH]1)NC(=O)c3ccco3 $$$$ C9H11F3N2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.2000 1.4000 0.0000 F 0 0 0 4.2000 -1.4000 0.0000 F 0 0 0 5.6000 -0.0000 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 9 4 1 8 9 2 9 10 1 7 8 1 7 11 1 11 12 1 11 13 1 11 14 1 M END > <Title> ZINC01465976 > <SMILES> CCNc1ccc(cc1N)C(F)(F)F $$$$ C13H15NO4 MOLSOFT 11061513452D 18 20 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 C 0 0 2 2.0923 -6.2085 0.0000 C 0 0 0 2.3834 -7.5779 0.0000 C 0 0 0 1.1710 -8.2779 0.0000 C 0 0 0 0.1306 -7.3411 0.0000 O 0 0 0 4.1694 0.2911 0.0000 O 0 0 0 4.3157 1.6834 0.0000 C 0 0 0 3.0368 2.2528 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 6 7 1 7 8 1 8 9 1 9 10 2 11 9 1 6 11 12 1 12 13 1 13 14 1 11 15 1 14 15 1 4 5 1 4 16 1 16 17 1 18 3 1 17 18 1 M END > <Title> ZINC01466469 > <SMILES> c1cc2c(cc1CNC(=O)[C@@H]3CCCO3)OCO2 $$$$ C13H24N2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 N 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 O 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 1 8 9 1 9 10 2 9 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC01466487 > <SMILES> C1CCC(CC1)CCC(=O)NN2CCOCC2 $$$$ C12H15FN2O2 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 1 10 5 1 9 10 1 8 9 1 8 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M END > <Title> ZINC01466524 > <SMILES> COC(=O)N1CCN(CC1)c2ccc(cc2)F $$$$ C10H17NO3 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 12 13 1 14 9 1 13 14 1 M END > <Title> ZINC01467774 > <SMILES> COC(=O)CNC(=O)C1CCCCC1 $$$$ C11H15N3O MOLSOFT 11061513452D 15 16 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 2.8000 -4.8497 0.0000 N 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 N 0 0 0 2 1 1 6 2 3 1 3 4 1 4 5 1 5 6 1 2 7 1 6 7 1 7 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 M END > <Title> ZINC01469218 > <SMILES> C[C@@H]1CCCCN1C(=O)c2cnccn2 $$$$ C15H18N2O MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 4.8497 0.0000 C 0 0 0 8.4000 4.8497 0.0000 O 0 0 0 6.3000 6.0622 0.0000 C 0 0 0 7.0000 7.2746 0.0000 C 0 0 0 7.7000 8.4870 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 2 14 16 1 16 17 1 17 18 3 M END > <Title> ZINC01471450 > <SMILES> c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N $$$$ C15H21NO2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 N 0 0 0 4.3306 2.4914 0.0000 C 0 0 0 5.3710 3.4282 0.0000 C 0 0 0 6.5834 2.7282 0.0000 C 0 0 0 6.2923 1.3588 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 2 12 14 1 14 15 1 15 16 1 16 17 1 18 14 1 17 18 1 M END > <Title> ZINC01476177 > <SMILES> CC(C)COc1ccc(cc1)C(=O)N2CCCC2 $$$$ C8H13N2O2S MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.3124 -0.5124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 S 0 0 0 -0.8876 -1.9124 0.0000 O 0 0 0 -2.8000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 N 0 3 0 1 2 1 2 3 2 2 4 2 2 5 1 5 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 M CHG 1 13 1 M END > <Title> ZINC01494962 > <SMILES> CS(=O)(=O)Nc1ccc(cc1)C[NH3+] $$$$ C12H13N3OS MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 N 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 N 0 0 0 4.5660 0.9535 0.0000 C 0 0 0 6.6849 3.9916 0.0000 N 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 8.9501 5.6374 0.0000 O 0 0 0 9.0965 4.2451 0.0000 C 0 0 0 7.9638 3.4222 0.0000 C 0 0 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 2 8 9 1 11 6 2 10 11 1 9 10 2 9 12 1 12 13 1 13 14 1 14 15 1 15 16 1 17 12 1 16 17 1 M END > <Title> ZINC01495172 > <SMILES> c1cc(sc1)c2cnc(nc2)N3CCOCC3 $$$$ C14H15N3O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 N 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 9.1000 2.6124 0.0000 C 0 0 0 10.3124 1.9124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 1 16 17 1 18 16 1 17 18 1 M END > <Title> ZINC01495285 > <SMILES> COc1ccc(cc1)c2cnc(nc2)NC3CC3 $$$$ C12H14N3 MOLSOFT 11061513452D 15 17 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 3 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 N 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2 1 1 2 3 1 3 4 1 4 5 1 5 6 1 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 13 8 1 12 13 2 14 5 2 13 14 1 6 7 2 2 15 1 6 15 1 M CHG 1 2 1 M END > <Title> ZINC01495598 > <SMILES> C[NH+]1CCc2c(cc3cccnc3n2)C1 $$$$ C11H6ClN2O3 MOLSOFT 11061513452D 17 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 O 0 5 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 4.8497 0.0000 Cl 0 0 0 1 2 2 2 3 1 3 4 2 6 1 1 5 6 2 5 7 1 7 8 2 7 9 1 4 5 1 4 10 1 10 11 1 11 12 1 12 13 2 13 14 1 16 11 2 15 16 1 14 15 2 14 17 1 M CHG 1 9 -1 M END > <Title> ZINC01496337 > <SMILES> c1ccc(c(c1)C(=O)[O-])Oc2ncc(cn2)Cl $$$$ C13H8FN3O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.1000 -3.6373 0.0000 N 0 0 0 -1.4000 -2.4249 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 2.0923 -6.2085 0.0000 N 0 0 0 2.3834 -7.5779 0.0000 N 0 0 0 1.1710 -8.2779 0.0000 C 0 0 0 0.1306 -7.3411 0.0000 O 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 2 2 3 1 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 10 11 2 12 7 2 11 12 1 9 10 1 9 13 1 13 14 2 14 15 1 15 16 2 17 13 1 16 17 1 3 4 2 3 18 1 M END > <Title> ZINC01497325 > <SMILES> c1cc(ccc1c2cc(cnc2)c3nnco3)F $$$$ C12H9N5 MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 C 0 0 0 -1.6834 -3.9406 0.0000 N 0 0 0 -1.3923 -2.5712 0.0000 N 0 0 0 1.9388 -3.9949 0.0000 C 0 0 0 2.8756 -2.9545 0.0000 C 0 0 0 4.2450 -3.2456 0.0000 N 0 0 0 4.6777 -4.5771 0.0000 C 0 0 0 3.7409 -5.6175 0.0000 C 0 0 0 2.3715 -5.3264 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 9 10 1 11 7 2 10 11 1 8 9 2 8 12 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 M END > <Title> ZINC01501096 > <SMILES> c1cnccc1c2c(c[nH]n2)c3cnccn3 $$$$ C12H14N2O MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 3.0368 -2.2528 0.0000 C 0 0 0 4.3157 -1.6834 0.0000 C 0 0 0 4.1694 -0.2911 0.0000 N 0 0 0 5.5282 -2.3834 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 3 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 6 2 10 11 1 10 12 1 12 13 2 14 9 1 13 14 1 13 15 1 M END > <Title> ZINC01501170 > <SMILES> CCC(=O)Nc1ccc2c(c1)cc([nH]2)C $$$$ C14H18N3O MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 C 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.2368 4.6777 0.0000 C 0 0 0 8.5157 4.1083 0.0000 C 0 0 0 8.3694 2.7159 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 2 8 10 1 10 11 1 11 12 2 12 13 1 13 14 1 14 15 2 15 16 1 17 13 2 16 17 1 18 10 2 17 18 1 M CHG 1 2 1 M END > <Title> ZINC01501734 > <SMILES> C[NH+]1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2 $$$$ C14H12N4 MOLSOFT 11061513452D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 0 0 5.0229 -1.2922 0.0000 C 0 0 0 6.3544 -1.7249 0.0000 C 0 0 0 6.3544 -3.1249 0.0000 C 0 0 0 5.0229 -3.5575 0.0000 N 0 0 0 7.4870 -0.9020 0.0000 C 0 0 0 7.3407 0.4904 0.0000 C 0 0 0 8.4733 1.3133 0.0000 C 0 0 0 9.7522 0.7438 0.0000 N 0 0 0 9.8986 -0.6485 0.0000 C 0 0 0 8.7660 -1.4714 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 1 8 9 1 9 10 2 12 8 1 11 12 2 10 11 1 10 13 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 M END > <Title> ZINC01501850 > <SMILES> c1ccnc(c1)Cn2cc(cn2)c3ccncc3 $$$$ C8H7N3 MOLSOFT 11061513452D 11 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.1923 -2.5712 0.0000 C 0 0 0 4.4834 -3.9406 0.0000 N 0 0 0 3.2710 -4.6406 0.0000 N 0 0 0 2.2306 -3.7038 0.0000 C 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 1 2 5 6 1 5 7 1 7 8 2 8 9 1 9 10 1 11 7 1 10 11 2 M END > <Title> ZINC01502377 > <SMILES> c1ccnc(c1)c2c[nH]nc2 $$$$ C14H19N2O MOLSOFT 11061513452D 17 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 4.7318 2.5020 0.0000 C 0 0 0 5.7722 3.4388 0.0000 C 0 0 0 7.1037 3.0062 0.0000 C 0 0 0 7.3948 1.6368 0.0000 C 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 C 0 0 0 4.5903 -2.4641 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 5 8 1 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 16 8 1 15 16 1 16 17 2 M CHG 1 2 1 M END > <Title> ZINC01503005 > <SMILES> C[NH+]1CCC(CC1)N2c3ccccc3CC2=O $$$$ C12H23N2O2 MOLSOFT 11061513452D 16 17 0 0 1 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 3 3 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 6.3000 -1.2124 0.0000 C 0 0 2 4.9000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 8.4000 -2.4249 0.0000 O 0 5 0 1 2 1 2 3 1 3 4 1 4 5 1 7 2 1 6 7 1 5 6 1 8 5 1 8 9 1 9 10 1 10 11 1 12 11 1 8 13 1 12 13 1 12 14 1 1 14 15 2 14 16 1 M CHG 3 2 1 8 1 16 -1 M END > <Title> ZINC01503145 > <SMILES> C[NH+]1CCC(CC1)[NH+]2CCC[C@H](C2)C(=O)[O-] $$$$ C12H10N4 MOLSOFT 11061513452D 16 18 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 N 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 7.9638 3.4222 0.0000 C 0 0 0 8.1102 2.0298 0.0000 C 0 0 0 6.9776 1.2069 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 6 2 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 16 7 2 15 16 1 M END > <Title> ZINC01504298 > <SMILES> Cn1cc(cn1)c2cnc3ccccc3n2 $$$$ C8H8N4 MOLSOFT 11061513452D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 N 0 0 0 5.5522 3.1687 0.0000 C 0 0 0 5.6986 1.7764 0.0000 C 0 0 0 4.5660 0.9535 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 6 2 1 5 6 2 4 5 1 4 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 7 2 11 12 1 M END > <Title> ZINC01504399 > <SMILES> Cn1cc(cn1)c2cnccn2 $$$$ C10H10N2O MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 N 0 0 0 6.3544 -0.7000 0.0000 N 0 0 0 5.0229 -1.1326 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 2 10 11 1 11 12 1 13 9 1 12 13 2 M END > <Title> ZINC01504443 > <SMILES> COc1ccc(cc1)c2c[nH]nc2 $$$$ C10H11N3O MOLSOFT 11061513452D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.5694 -3.7038 0.0000 C 0 0 0 -0.4710 -4.6406 0.0000 N 0 0 0 -1.6834 -3.9406 0.0000 N 0 0 0 -1.3923 -2.5712 0.0000 C 0 0 0 -2.9624 -4.5100 0.0000 C 0 0 0 -3.1087 -5.9024 0.0000 C 0 0 0 -4.3877 -6.4718 0.0000 O 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 6 1 1 5 6 2 6 7 1 7 8 1 8 9 2 9 10 1 11 7 2 10 11 1 10 12 1 12 13 1 13 14 1 M END > <Title> ZINC01504718 > <SMILES> c1cnccc1c2cnn(c2)CCO $$$$ C5H7N3OS2 MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 3.2870 1.5229 0.0000 S 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 2 6 7 1 9 5 1 8 9 1 7 8 2 7 10 1 10 11 1 M END > <Title> ZINC01511088 > <SMILES> CC(=O)Nc1nc(ns1)SC $$$$ C11H10N2O2 MOLSOFT 11061513452D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 O 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 1.3271 3.5045 0.0000 O 0 0 0 -0.9791 2.7552 0.0000 N 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 C 0 0 0 -3.2138 5.7092 0.0000 C 0 0 0 -2.2770 6.7496 0.0000 N 0 0 0 -0.9076 6.4585 0.0000 C 0 0 0 -0.4750 5.1271 0.0000 C 0 0 0 1 2 1 2 3 2 4 5 2 6 2 1 5 6 1 3 4 1 3 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 2 12 13 1 13 14 2 15 10 2 14 15 1 M END > <Title> ZINC01516906 > <SMILES> Cc1c(cco1)C(=O)Nc2ccncc2 $$$$ C10H9NOS MOLSOFT 11061513452D 13 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 C 0 0 0 6.3544 0.7000 0.0000 S 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 2 10 11 1 11 12 1 13 9 1 12 13 2 M END > <Title> ZINC01520046 > <SMILES> COc1ccc(cc1)c2cscn2 $$$$ C10H21N2O2 MOLSOFT 11061513452D 14 14 0 0 0 0 0 0 0 0999 V2000 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 3 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 1 9 4 1 8 9 1 7 8 1 7 10 1 10 11 1 11 12 1 12 13 1 13 14 1 M CHG 1 10 1 M END > <Title> ZINC01529114 > <SMILES> CC(=O)N1CCC(CC1)[NH2+]CCOC $$$$ C9H14NO MOLSOFT 11061513452D 11 11 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 3 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 7 2 7 8 1 10 5 2 9 10 1 8 9 2 8 11 1 M CHG 1 2 1 M END > <Title> ZINC01529432 > <SMILES> C[NH2+]CCc1ccc(cc1)O $$$$ C11H14N2O2S MOLSOFT 11061513452D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 S 0 0 0 4.2000 1.4000 0.0000 O 0 0 0 4.2000 -1.4000 0.0000 O 0 0 0 5.6000 -0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.7000 1.2124 0.0000 C 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 2 8 10 2 8 11 1 11 12 1 11 13 1 13 14 1 14 15 1 15 16 3 M END > <Title> ZINC01555639 > <SMILES> Cc1ccc(cc1)S(=O)(=O)N(C)CCC#N $$$$ C12H17NO2 MOLSOFT 11061513452D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 13 8 1 12 13 2 13 14 1 14 15 1 M END > <Title> ZINC01556644 > <SMILES> CC(C)CC(=O)Nc1ccccc1OC $$$$ C12H17N3O2 MOLSOFT 11061513452D 17 17 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 N 0 0 0 7.0000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 2 4 1 4 5 1 5 6 2 5 7 1 7 8 1 8 9 2 9 10 1 12 7 2 11 12 1 10 11 2 10 13 1 13 14 1 14 15 2 14 16 1 16 17 1 M END > <Title> ZINC01558832 > <SMILES> CC(C)NC(=O)c1ccc(cc1)NC(=O)NC $$$$ C14H20N2O2 MOLSOFT 11061513452D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 3 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 0.0000 0.0000 O 0 0 0 11.2000 2.4249 0.0000 O 0 5 0 1 2 1 2 3 2 3 4 1 4 5 2 7 2 1 6 7 2 5 6 1 5 8 1 8 9 1 9 10 1 10 11 1 13 8 1 12 13 1 11 12 1 11 14 1 14 15 1 15 16 1 16 17 2 16 18 1 M CHG 2 11 1 18 -1 M END > <Title> ZINC01561663 > <SMILES> Cc1ccc(cc1)N2CC[NH+](CC2)CCC(=O)[O-] $$$$ C9H20N MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 N 0 3 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 7 1 7 8 1 8 9 1 10 5 1 9 10 1 M CHG 1 2 1 M END > <Title> ZINC01562012 > <SMILES> C[NH2+]CCC1CCCCC1 $$$$ C9H13N2O2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 N 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 3 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 8 3 2 7 8 1 6 7 2 6 9 1 9 10 1 10 11 2 10 12 1 12 13 1 M CHG 1 13 1 M END > <Title> ZINC01566885 > <SMILES> COc1ccc(cc1)NC(=O)C[NH3+] $$$$ C7H13N2O MOLSOFT 11061513452D 10 10 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 3 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 -0.7000 -6.0622 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 6 1 1 5 6 1 6 7 1 7 8 1 8 9 1 9 10 3 M CHG 1 6 1 M END > <Title> ZINC01571069 > <SMILES> C1COCC[NH+]1CCC#N $$$$ C11H14N2 MOLSOFT 11061513452D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.5000 1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -4.9000 -3.6373 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 4 5 1 5 6 1 6 7 3 3 4 1 3 8 1 8 9 1 9 10 2 10 11 1 11 12 2 13 8 2 12 13 1 M END > <Title> ZINC01574332 > <SMILES> CCN(CCC#N)c1ccccc1 $$$$ C7H16N MOLSOFT 11061513452D 8 8 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 N 0 3 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 7 1 8 3 1 7 8 1 M CHG 1 3 1 M END > <Title> ZINC01577159 > <SMILES> CC[NH+]1CCCCC1 $$$$ C8H13N2OS MOLSOFT 11061513452D 12 12 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 1.8617 3.4847 0.0000 O 0 0 0 4.2733 3.7381 0.0000 N 0 0 0 4.1269 5.1305 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 5.1132 7.3457 0.0000 N 0 3 0 1 2 1 2 3 2 5 1 2 4 5 1 3 4 1 3 6 1 6 7 1 7 8 2 7 9 1 9 10 1 10 11 1 11 12 1 M CHG 1 12 1 M END > <Title> ZINC01577294 > <SMILES> c1cc(sc1)CC(=O)NCC[NH3+] $$$$