Compound,SMILES
1a,CC1=C(/C=C/C(C2=CC=NC=C2)=O)C3=CC(OC)=CC=C3N1
1b,O=C(C1=CC=NC=C1)/C=C/C2=C(CC)NC3=CC=C(OC)C=C32
1c,O=C(C1=CC=NC=C1)/C=C/C2=C(CCC)NC3=CC=C(OC)C=C32
2a,CC1=C(/C=C/C(C2=CC=NC=C2)=O)C3=CC(OCC)=CC=C3N1
2b,CC1=C(/C=C/C(C2=CC=NC=C2)=O)C3=CC(OCCC)=CC=C3N1
2c,CC1=C(/C=C/C(C2=CC=NC=C2)=O)C3=CC(OC(C)C)=CC=C3N1
2d,CC1=C(/C=C/C(C2=CC=NC=C2)=O)C3=CC(OCCCC)=CC=C3N1
2e,CC1=C(/C=C/C(C2=CC=NC=C2)=O)C3=CC(NC(C)=O)=CC=C3N1
2f,CC1=C(/C=C/C(C2=CC=NC=C2)=O)C3=CC(NC(OC(C)(C)C)=O)=CC=C3N1
2g,CC1=C(/C=C/C(C2=CC=NC=C2)=O)C3=CC(N)=CC=C3N1
2h,O=C(C1=CC=NC=C1)/C=C/C2=CNC3=CC=C(CNC(OC(C)(C)C)=O)C=C32
2i,O=C(C1=CC=NC=C1)/C=C/C2=CNC3=CC=C(CN)C=C32
2j,O=C(C1=CC=NC=C1)/C=C/C2=C(C(F)(F)F)NC3=CC=C(OC)C=C32
2k,O=C(C1=CC=NC=C1)/C=C/C2=C(C(OC)=O)NC3=CC=C(OC)C=C32
2l,O=C(C1=CC=NC=C1)/C=C/C2=C(C(OCC)=O)NC3=CC=C(OC)C=C32
2m,O=C(C1=CC=NC=C1)/C=C/C2=C(C(OCCC)=O)NC3=CC=C(OC)C=C32
2n,O=C(C1=CC=NC=C1)/C=C/C2=C(C(OC(C)C)=O)NC3=CC=C(OC)C=C32
2o,O=C(C1=CC=NC=C1)/C=C/C2=C(C(O)=O)NC3=CC=C(OC)C=C32
2p,O=C(C1=CC=NC=C1)/C=C/C2=C(CO)NC3=CC=C(OC)C=C32
2q,O=C(C1=CC=NC=C1)/C=C/C2=C(CCCO)NC3=CC=C(OC)C=C32
3,CC1=C([N+]([O-])=O)C=CC(O)=C1
4a,CC1=C([N+]([O-])=O)C=CC(OCC)=C1
4b,CC1=C([N+]([O-])=O)C=CC(OCCC)=C1
4c,CC1=C([N+]([O-])=O)C=CC(OC(C)C)=C1
4d,CC1=C([N+]([O-])=O)C=CC(OCCCC)=C1
5a,NC1=C(C)C=C(OCC)C=C1
5b,NC1=C(C)C=C(OCCC)C=C1
5c,NC1=C(C)C=C(OC(C)C)C=C1
5d,NC1=C(C)C=C(OCCCC)C=C1
6a,CC1=C(NC(OC(C)(C)C)=O)C=CC(OCC)=C1
6b,CC1=C(NC(OC(C)(C)C)=O)C=CC(OCCC)=C1
6c,CC1=C(NC(OC(C)(C)C)=O)C=CC(OC(C)C)=C1
6d,CC1=C(NC(OC(C)(C)C)=O)C=CC(OCCCC)=C1
7,CC(N(OC)C)=O
8a,CC1=CC2=CC(OCC)=CC=C2N1
8b,CC1=CC2=CC(OCCC)=CC=C2N1
8c,CC1=CC2=CC(OC(C)C)=CC=C2N1
8d,CC1=CC2=CC(OCCCC)=CC=C2N1
9a,CC1=C(C([H])=O)C2=CC(OCC)=CC=C2N1
9b,CC1=C(C([H])=O)C2=CC(OCCC)=CC=C2N1
9c,CC1=C(C([H])=O)C2=CC(OC(C)C)=CC=C2N1
9d,CC1=C(C([H])=O)C2=CC(OCCCC)=CC=C2N1
10,CC1=CC2=CC(N)=CC=C2N1
11,CC1=CC2=CC(N(C(C)=O)C(C)=O)=CC=C2N1
12,CC1=CC2=CC(NC(OC(C)(C)C)=O)=CC=C2N1
13,CC1=C(C([H])=O)C2=CC(NC(C)=O)=CC=C2N1
14,CC1=C(C([H])=O)C2=CC(NC(OC(C)(C)C)=O)=CC=C2N1
15,NCC1=CC=C(NC=C2)C2=C1
16,O=C(OC(C)(C)C)NCC1=CC=C(NC=C2)C2=C1
17,O=C(OC(C)(C)C)NCC1=CC=C(NC=C2C([H])=O)C2=C1
18,CC1=C(NC(OC(C)(C)C)=O)C=CC(OC)=C1
19,O=C(C(F)(F)F)N(OC)C
20,COC1=CC=C(NC(C(F)(F)F)=C2)C2=C1
21,COC1=CC=C(NC(C(F)(F)F)=C2C([H])=O)C2=C1
22,COC1=CC=C(NC(C(O)=O)=C2)C2=C1
23a,COC1=CC=C(NC(C(OC)=O)=C2)C2=C1
23b,COC1=CC=C(NC(C(OCC)=O)=C2)C2=C1
23c,COC1=CC=C(NC(C(OCCC)=O)=C2)C2=C1
23d,COC1=CC=C(NC(C(OC(C)C)=O)=C2)C2=C1
24a,COC1=CC=C(NC(C(OC)=O)=C2C([H])=O)C2=C1
24b,COC1=CC=C(NC(C(OCC)=O)=C2C([H])=O)C2=C1
24c,COC1=CC=C(NC(C(OCCC)=O)=C2C([H])=O)C2=C1
24d,COC1=CC=C(NC(C(OC(C)C)=O)=C2C([H])=O)C2=C1
25,COC1=CC=C(NC(CO)=C2)C2=C1
26,COC1=CC=C(NC(COC(C)=O)=C2)C2=C1
27,COC1=CC=C(NC(CO)=C2C([H])=O)C2=C1
28,COC1=CC=C(NC(C([H])=O)=C2)C2=C1
29,COC1=CC=C(NC(/C=C/C(OCC)=O)=C2)C2=C1
30,COC1=CC=C(NC(CCCO)=C2)C2=C1
31,COC1=CC=C(NC(CCCOC(C)=O)=C2)C2=C1
32,COC1=CC=C(NC(CCCOC(C)=O)=C2C([H])=O)C2=C1