smiles,confnum,homo,lumo,gap
COC(=O)/C(=C/c1cc(C)c(c2ccc(c3sc(c4cc5c(s4)c(OC)c4cc(c6cc(C)c(c7ccc(c8sc(/C=C(\C#N)/C(=O)OC)cc8C)s7)s6)sc4c5OC)cc3C)s2)s1)/C#N,0,-0.246,-0.011,0.235
Cc1csc(c2ccc(c3cc(C)cs3)c3nsnc23)c1,0,-0.259,0.003,0.262
COC(=O)/C(=C/c1cc(C)c(c2cc(C)c(c3ccc(c4sc(c5sc(/C=C(\C#N)/C(=O)OC)cc5C)cc4C)s3)s2)s1)/C#N,0,-0.251,-0.017,0.23399999999999999
C[Si]1(C)c2ccsc2c2sc(c3nc4sc(c5cc6c(s5)c5sc(c7cc8sccc8s7)cc5[Si]6(C)C)nc4s3)cc12,0,-0.237,0.008,0.245
COc1c2ccsc2c(OC)c2cc(c3sc(c4scc5c4[C@@H]4C=C[C@H]5CC4(C)C)c4c3[C@@H]3C=C[C@H]4C(C)(C)C3)sc12,0,-0.253,0.047,0.3
Cn1c(=O)c2c(c3ccc(c4cc5c(s4)c4sccc4[Si]5(C)C)s3)n(C)c(=O)c2c1c1cccs1,0,-0.236,0.001,0.237
C#Cc1cc2c(s1)c1sc(C#Cc3scc4nc(c5ccccc5)c(c5ccccc5)nc34)cc1n2C,0,-0.24,0.005,0.245
CC1(C)c2cc(c3ccc(/C=C(\C#N)/C(=O)O)s3)ccc2c2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)cc12,0,-0.255,0.004,0.259
CC1(C)c2cc(c3ccc(c4ccc(c5ccc(c6ccc(C=C(C#N)C#N)s6)s5)s4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc12,0,-0.248,-0.017,0.23099999999999998
Cc1ccsc1c1nc2sc(c3sc(c4cc(C)c(c5nc6sc(c7sccc7C)nc6s5)s4)cc3C)nc2s1,0,-0.246,0.001,0.247
CC1(C)CC(=C/C(=C(\C#N)/C(=O)O)/C1)/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,0,-0.264,0.012,0.276
COc1ccc(N(c2ccc(OC)cc2)c2ccc(c3ccc(c4ccc(/C=C(\C#N)/C(=O)O)s4)s3)cc2)cc1,0,-0.252,-0.001,0.251
Cc1ccc(c2nc3c(c4cccs4)ccc(c4ccc(c5ccc6c7ccccc7n(C)c6c5)s4)c3nc2c2ccc(C)s2)s1,0,-0.245,0.02,0.265
Cn1c2ccc(C=C(C#N)C#N)cc2c2cc(C=C(C#N)C#N)ccc12,0,-0.318,-0.001,0.317
COc1c2ccsc2c(OC)c2cc(c3sc(c4ccc(c5cc(C)cs5)c5nsnc45)cc3C)sc12,0,-0.246,-0.004,0.242
COC(=O)c1sc2c(c3ccc(c4cc5c(s4)c(c4ccc(C)s4)c4ccsc4c5c4ccc(C)s4)s3)sc(c3cccs3)c2c1F,0,-0.243,0.005,0.248
Cc1csc(c2cc3c4nsnc4c(c4cc(C)c(c5cc6c(s5)c(c5cc(C)c(C)s5)c5ccsc5c6c5sc(C)c(C)c5)s4)cc3c3nsnc23)c1,0,-0.243,-0.016,0.22699999999999998
COC(=O)c1cc2csc(c3cc4c(s3)c(OC)c3ccsc3c4OC)c2s1,0,-0.258,0.031,0.28900000000000003
Cc1cc2cc3c(C#C[Si](C)(C)C)c4cc5sc(C)cc5cc4c(C#C[Si](C)(C)C)c3cc2s1,0,-0.233,0.008,0.24100000000000002
COCc1sc2c(csc2c2cc3c(s2)c(OC)c2ccsc2c3OC)c1F,0,-0.255,0.039,0.294
C#Cc1sc(C#Cc2scc3nc(c4ccccc4)c(c4ccccc4)nc23)c(C)c1C,0,-0.258,0.008,0.266
Cc1cc(C)c(c2c3cc(c4ccc(c5ccc(c6cccs6)c6nsnc56)s4)sc3c(c3sc(C)cc3C)c3ccsc23)s1,0,-0.246,-0.004,0.242
Cn1c(=O)c2c(c3ccc(c4cc5c(s4)c4sccc4C5(C)C)s3)n(C)c(=O)c2c1c1cccs1,0,-0.234,0.003,0.23700000000000002
Cn1c(=O)c2c(c3ccc(c4ccc5c(c4)C(C)(C)c4ccccc54)s3)n(C)c(=O)c2c1c1cccs1,0,-0.24,0.005,0.245
Cn1c(c2ccc(/C=C(\C#N)/C(=O)O)s2)ccc1c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2C,0,-0.256,0.011,0.267
N#C/C(=C\c1ccc(/C(=C/c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)/C#N)s1)/C(=O)O,0,-0.265,-0.014,0.251
COc1cccc(c2nc3c(c4cccs4)ccc(c4ccc(c5cc6c(s5)c(OC)c5ccsc5c6OC)s4)c3nc2c2cccc(OC)c2)c1,0,-0.249,0.013,0.262
Cc1c(C)c(c2ccc(c3sc(c4ccc(C=C(C#N)C#N)s4)c(C)c3C)s2)sc1c1ccc(C=C(C#N)C#N)s1,0,-0.268,-0.026,0.24200000000000002
Cc1ccc(c2ccc(c3cc(F)c(c4cc5c(s4)c4sc(c6c7nsnc7c(c7ccc(c8ccc(C)s8)s7)cc6F)cc4[Si]5(C)C)c4nsnc34)s2)s1,0,-0.23,-0.013,0.217
Cc1c(c2cccs2)sc2c(C)c(c3ccc(c4scc5c4C(=O)N(C)C5=O)s3)sc12,0,-0.258,0.013,0.271
C=Cc1ccc2c3ccc(/C=C/c4sc(c5ccc(c6ccc(c7cc(C)cs7)s6)s5)cc4C)cc3n(c3ccc(OC)cc3)c2c1,0,-0.233,0.022,0.255
Cc1ccc(c2csc(c3cc(c4ccc(C)s4)c(c4ccc(c5c6c(=O)n(C)c(c7cccs7)c6c(=O)n5C)s4)s3)c2)s1,0,-0.239,0.0,0.239
COc1ccc(c2nc3c(nc2c2ccc(OC)cc2)c(c2ccc(c4ccc5c(c4)C(C)(C)c4ccccc54)s2)sc3c2cccs2)cc1,0,-0.227,0.004,0.231
N#C/C(=C\c1ccc(c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)/C(=O)O,0,-0.263,-0.018,0.24500000000000002
CC1(C)CC(=C/C(=C(\C#N)/C(=O)O)/C1)/C=C/c1ccc(N(c2ccc(n3c4ccccc4c4ccccc34)cc2)c2ccc(n3c4ccccc4c4ccccc34)cc2)cc1,0,-0.265,0.006,0.271
c1csc(c2ccsc2c2cccs2)c1,0,-0.286,0.076,0.362
Cc1csc(c2nnc(c3cc(C)c(c4cc5c(s4)c4sccc4[Si]5(C)C)s3)nn2)c1,0,-0.25,0.014,0.264
Cn1c2ccccc2c2ccccc12,0,-0.281,0.09,0.371
COc1ccc(c2nc3c(c4cccs4)ccc(c4ccc(c5cc6c7c8c(cccc8CCc7c5)n6C)s4)c3nc2c2ccc(OC)cc2)cc1,0,-0.24,0.025,0.265
COC(=O)c1cc2c(c3cccs3)sc(c3ccc(c4cc5c(s4)c(c4cc(F)c(C)s4)c4ccsc4c5c4cc(F)c(C)s4)s3)c2s1,0,-0.245,0.004,0.249
COC(=O)n1c(=O)c2c(c3ccc(c4ccc(c5sc(C)cc5)s4)s3)n(C(=O)OC)c(=O)c2c1c1ccc(c2ccc(c3ccc(C)s3)s2)s1,0,-0.235,-0.01,0.22499999999999998
Cn1c(c2ccc(/C=C(\C#N)/C(=O)O)s2)ccc1c1ccc(N(c2ccccc2)c2ccccc2)cc1,0,-0.257,0.008,0.265
COc1c(OC)c(c2ccc(c3cc4c(s3)c(c3ccc(C)s3)c3ccsc3c4c3sc(C)cc3)s2)c2nsnc2c1c1cccs1,0,-0.242,0.001,0.243
Cc1ccc(c2nc3c(nc2c2ccc(C)cc2)c(c2ccc(c4ccc5c(c4)C(C)(C)c4ccccc54)s2)sc3c2cccs2)cc1,0,-0.228,0.002,0.23
C#Cc1cc2c(s1)c1sc(C#Cc3cccc4nsnc34)cc1n2C,0,-0.251,0.005,0.256
CC1(C)c2ccccc2c2cc3c(cc12)c1ccc(c2ccc(c4ccc(c5cccs5)c5nsnc45)s2)cc1C3(C)C,0,-0.244,-0.0,0.244
Cn1c2ccccc2c2ccc(c3ccc(c4cnc(c5cccs5)c5nccnc45)s3)cc12,0,-0.248,0.01,0.258
Cc1csc(c2sc(c3nc4cc5sc(c6cc(C)c(c7cc(C)cs7)s6)nc5cc4s3)cc2C)c1,0,-0.254,0.019,0.273
CC1(C)c2cc(c3ccc(/C=C(\C#N)/C(=O)O)s3)ccc2c2c1c1c(c3c2C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc32)C(C)(C)c2cc(N(c3ccccc3)c3ccccc3)ccc12,0,-0.257,0.003,0.26
COC(=O)c1cc2c(c3cccs3)sc(c3ccc(c4cc5c(s4)c(c4ccc(C)s4)c4ccsc4c5c4ccc(C)s4)s3)c2s1,0,-0.24,0.009,0.249
Cc1ccsc1c1nnc(c2sc(c3cc4c(s3)c3sccc3C4(C)C)cc2C)nn1,0,-0.248,0.016,0.264
Cc1ccc(c2c3ccsc3c(c3ccc(C)s3)c3cc(c4scc5cc(S(=O)(=O)C)sc45)sc23)s1,0,-0.256,0.027,0.28300000000000003
Cn1c(=O)c2c(c3ccc(c4ccc5ccccc5c4)s3)n(C)c(=O)c2c1c1cccs1,0,-0.242,0.004,0.246
Cc1cc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1c1nc2sc(c3sc(c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3C)nc2s1,0,-0.238,0.024,0.262
CC1(C)c2ccccc2c2ccc(N(c3ccc4cc(/C=C/c5ccc(/C=C(\C#N)/C(=O)O)s5)sc4c3)c3ccc4c(c3)C(C)(C)c3ccccc43)cc12,0,-0.25,-0.008,0.242
CC1(C)Oc2cc(c3c4nsnc4cc(F)c3F)sc2c2sccc12,0,-0.261,-0.004,0.257
CC1(C)c2ccccc2c2ccc(N(c3ccc(c4ccc(c5ccc(/C=C/C=C(\C#N)/C(=O)O)s5)s4)cc3)c3ccc4c(c3)C(C)(C)c3c[c][c][c]c43)[c]c12,0,-0.248,-0.007,0.241
COc1c(OC)c(c2ccc(c3ccc4c(c3)[Si](C)(C)c3ccccc43)s2)c2nsnc2c1c1cccs1,0,-0.246,0.006,0.252
Cc1ccsc1c1cc(C)c(c2ccc(c3cc(C)c(c4sc(c5ccc6c7cc8c(cc7n(C)c6c5)c5ccccc5n8C)c(C)c4)s3)c3nsnc23)s1,0,-0.238,0.001,0.239
Cn1c(=O)c2c(c3ccc(c4cccs4)o3)n(C)c(=O)c2c1c1ccco1,0,-0.239,0.009,0.248
C[Si]1(C)c2ccsc2c2sc(c3cccc4nonc34)cc12,0,-0.264,0.007,0.271
CC1(C)c2ccccc2c2ccc(N(c3ccc(/C=C(\C#N)/c4ccc(/C=C(\C#N)/C(=O)O)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc43)cc12,0,-0.262,-0.008,0.254
COc1ccc(N(c2ccc(OC)cc2)c2ccc(c3cc4c(s3)c3sc(/C=C(\C#N)/C(=O)O)cc3C4(C)C)cc2)cc1,0,-0.247,0.003,0.25
Cc1ccc(C2(c3ccc(C)cc3)c3ccsc3c3cc4c(cc23)c2sc(c3cccc5nsnc35)cc2C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,0,-0.244,0.011,0.255
COC(=O)c1cc2csc(c3cc4c(s3)c(c3ccc(C)s3)c3ccsc3c4c3ccc(C)s3)c2s1,0,-0.25,0.031,0.281
N#C/C(=C\c1ccc(c2ccc(c3ccc(/C=C(/C#N)\c4ccc(N(=O)=O)cc4)s3)c3c2C(=O)OC3=O)s1)/c1ccc(N(=O)=O)cc1,0,-0.301,-0.039,0.262
CC1(C)c2cc(c3ccc(/C=C(\C#N)/C(=O)O)s3)ccc2c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc12,0,-0.26,0.004,0.264
C[Si]1(C)c2cc(c3cnc(c4cc5ccccc5s4)c4nsnc34)sc2c2sc(c3cnc(c4cc5ccccc5s4)c4nsnc34)cc12,0,-0.238,-0.021,0.217
C[Si](C)(C)C#Cc1c2ccccc2c2ccc3c(C#C[Si](C)(C)C)c4ccccc4c4ccc1c2c34,0,-0.234,0.001,0.23500000000000001
Cc1csc(c2ccc(c3c4c(=O)n(C)c(c5ccc(c6cc(C)cs6)s5)c4c(=O)n3C)s2)c1,0,-0.237,0.0,0.237
COc1cccc([C@H]2[N]c3c(c4cccs4)ccc(c4ccc(c5ccc6c(c5)C(C)(C)c5ccccc65)s4)c3[N][C@@H]2c2cccc(OC)c2)c1,0,-0.246,-0.002,0.244
COc1c2ccsc2c(OC)c2cc(c3ccc(c4c5nonc5c(c5cccs5)c(OC)c4OC)s3)sc12,0,-0.25,-0.002,0.248
Cc1csc([C]2[N][C@@H]3S[C](c4cc(C)c(c5cc6c(s5)c5sccc5[Si]6(C)C)s4)[N][C@@H]3S2)c1,0,-0.254,0.028,0.28200000000000003
N#CC(=Cc1ccc(c2ccc(N(c3ccc(c4ccc(/C=C/c5cccs5)s4)cc3)c3ccc(c4ccc(C=C(C#N)C#N)s4)cc3)cc2)s1)C#N,0,-0.26,-0.014,0.246
Cn1c2ccsc2c2sc(c3ccc(c4c5c(=O)n(C)c(c6cccs6)c5c(=O)n4C)s3)cc12,0,-0.234,0.002,0.23600000000000002
CC1(C)c2ccsc2c2sc(c3cccc4nsnc34)cc12,0,-0.252,0.01,0.262
COc1c(OC)c(c2ccc(c3ccc(c4ccc5c6ccccc6n(C)c5c4)s3)s2)c2nsnc2c1c1ccc(c2cccs2)s1,0,-0.237,-0.001,0.236
COc1ccc(c2nc3c(c4cccs4)ccc(c4ccc(c5ccc6c(c5)C(C)(C)c5ccccc65)s4)c3nc2c2ccc(OC)cc2)cc1,0,-0.245,0.024,0.269
C=Cc1ccc(N(c2ccccc2)c2ccc(c3ccc(/C=C/4\SC(=S)N(CC(=O)O)C4=O)s3)cc2)cc1,0,-0.263,0.007,0.27
COc1c2ccsc2c(OC)c2cc(c3ccc(c4sc(c5cccs5)c5c4C(=O)N(C)C5=O)s3)sc12,0,-0.257,0.007,0.264
Cc1csc(c2sc(c3ccc(c4cc(C)c(c5cc(C)c(c6ccc7c8cc9c(cc8n(C)c7c6)c6ccccc6n9C)s5)s4)c4nsnc34)cc2C)c1,0,-0.236,-0.003,0.23299999999999998
CC1(C)c2ccsc2c2cc3c(cc12)c1sc(c2ccc(c4nnc(c5cccs5)nn4)s2)cc1C3(C)C,0,-0.244,0.012,0.256
Cc1ccsc1c1ccc(c2sc(c3nc(C)c(c4ccc(c5sc(c6cc7c(s6)c6sccc6[Si]7(C)C)cc5C)s4)s3)nc2C)s1,0,-0.234,0.01,0.24400000000000002
C[Si]1(C)c2ccsc2c2sc(c3cccc4nsnc34)cc12,0,-0.257,0.01,0.267
Cc1c2ccsc2c2sc(c3ccc(c4c5c(=O)n(C)c(c6cccs6)c5c(=O)n4C)s3)cc2c1C,0,-0.241,-0.0,0.241
Cc1csc(c2ccc(c3cc(C)c(c4cc5c(s4)c(c4ccc(C)s4)c4ccsc4c5c4ccc(C)s4)s3)c3nsnc23)c1,0,-0.244,-0.002,0.242
CC1(C)CC(=C/C(=C(/C#N)\C(=O)O)/C1)/C=C/c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,0,-0.254,0.011,0.265
COC(=O)/C(=C/c1cc(C)c(c2ccc(c3sc(c4cc5c(s4)c4sc(c6cc(C)c(c7ccc(c8sc(/C=C(/C#N)\C(=O)OC)cc8C)s7)s6)cc4[Si]5(C)C)cc3C)s2)s1)/C#N,0,-0.24,-0.013,0.22699999999999998
[CH](C1=[S]c2c(S1)cccc2)c1ccc(N(c2ccc([CH]C3=[S]c4c(S3)cccc4)cc2)c2ccc([CH]C3=[S]c4c(S3)cccc4)cc2)cc1,0,-0.234,0.075,0.309
Cc1csc(c2cccc3nsnc23)c1C,0,-0.291,0.019,0.31
C=Cc1ccc2c3ccccc3n(c3ccc(OC)cc3)c2c1,0,-0.27,0.075,0.34500000000000003
Cc1ccc(C2(c3ccc(C)cc3)c3ccsc3c3cc4c(cc23)c2sc(c3ccc(c5cccs5)s3)cc2C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,0,-0.236,0.035,0.271
COc1c2ccsc2c(OC)c2cc(c3scc4sc(S(=O)(=O)C)cc34)sc12,0,-0.269,0.017,0.28600000000000003
COc1c2ccsc2c(OC)c2c1sc(c1sc(c3sc(c4nc(C)c(c5cc(C)cs5)s4)nc3C)cc1C)c2,0,-0.245,0.012,0.257
Cc1cc(c2ccc(c3cc(C)c(c4cc5c(s4)c4sccc4c4nc(C)c(C)nc54)s3)c3nsnc23)sc1,0,-0.244,-0.003,0.241
CN1c2ccccc2Sc2cc(/C=C/c3ccsc3c3cccs3)ccc12,0,-0.254,0.055,0.309
Cc1cc(C=C2C(=O)c3ccccc3C2=O)sc1c1cc(C)c(c2ccc(c3sc(c4sc(C=C5C(=O)c6ccccc6C5=O)cc4C)cc3C)s2)s1,0,-0.245,-0.011,0.23399999999999999
Cn1c(=O)c2c(c3ccc(/C=C/c4ccc(C(F)(F)F)cc4)s3)n(C)c(=O)c2c1c1ccc(/C=C/c2ccc(C(F)(F)F)cc2)s1,0,-0.242,-0.014,0.22799999999999998
CN1C(=O)c2csc(c3cc4c(s3)c3sccc3[Si]4(C)C)c2C1=O,0,-0.269,0.019,0.28800000000000003
Cc1ccsc1[C]1[N][C@@H]2S[C](c3sc(c4cc5c(s4)c4sccc4[Si]5(C)C)cc3C)[N][C@@H]2S1,0,-0.257,0.028,0.28500000000000003
N#C/C(=C\c1ccc(c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)/C(=O)O,0,-0.26,-0.001,0.259
C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nsnc12)/c1ccc(N(c2ccccc2)c2ccccc2)cc1,0,-0.236,0.007,0.243
Cn1c2ccccc2c2ccc(c3ccc(c4ccc(c5cccs5)c5nsnc45)s3)cc12,0,-0.249,-0.0,0.249
COc1c2cc(c3cc(/C=C/c4sc(c5ccc(c6cc(C)cs6)c6nsnc56)cc4C)cs3)sc2c(OC)c2ccsc12,0,-0.245,-0.002,0.243
Cc1ccc(c2ccc(c3ncc(c4cc5c(s4)c4sc(c6cnc(c7ccc(c8ccc(C)s8)s7)c7nsnc67)cc4[Si]5(C)C)c4nsnc34)s2)s1,0,-0.229,-0.018,0.21100000000000002
N#C/C(=C\c1sc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c1OCCO2)/C(=O)O,0,-0.264,0.013,0.277
COc1c2cc(c3cc4c(s3)c3sc([C]5[N][C@H]6S[C](c7cc8c(s7)c7sccc7[Si]8(C)C)[N][C@H]6S5)cc3[Si]4(C)C)sc2c(OC)c2ccsc12,0,-0.251,0.018,0.269
CC1(C)c2ccsc2c2sc(c3ccc(c4nc5sc(c6cccs6)nc5s4)s3)cc12,0,-0.243,0.014,0.257
Cc1csc(c2cc3c4nsnc4c(c4cc(C)cs4)cc3c3nsnc23)c1,0,-0.263,-0.015,0.248
Cn1c(=O)c2c(c3ccc(c4ccccc4)s3)n(C)c(=O)c2c1c1cccs1,0,-0.244,0.007,0.251
Cn1c(c2ccc(c3cccc4nsnc34)s2)ccc1c1sccc1,0,-0.247,0.011,0.258
Cc1cc2c3cc(C)sc3c3nc4c(c5ccc(c6ccc7c8ccccc8n(C)c7c6)s5)ccc(c5cccs5)c4nc3c2s1,0,-0.242,0.004,0.246
CC1(C)c2ccsc2c2cc3c(cc12)c1sc(c2cccc4nsnc24)cc1C3(C)C,0,-0.244,0.01,0.254
CSc1ccc(c2ccc(c3ccc([Si](c4ccc(c5ccc(c6ccc(SC)s6)s5)s4)(c4ccc(c5ccc(c6ccc(SC)s6)s5)s4)c4ccc(c5ccc(c6ccc(SC)s6)s5)s4)s3)s2)s1,0,-0.255,0.03,0.28500000000000003
C=Cc1cc(OC)c(/C=C/c2cc(/C=C(\C#N)/c3ccc(N(=O)=O)cc3)ccc2/C=C(/C#N)\c2ccc(N(=O)=O)cc2)cc1OC,0,-0.275,-0.021,0.254
Cc1ccc(c2nc3cccc(c4ccc(c5ccc6c(c5)C(C)(C)c5cc(c7cccs7)ccc65)s4)c3nc2c2ccc(C)s2)s1,0,-0.248,0.028,0.276
Cc1cc(c2ccc(c3cc(C)c(c4cccs4)s3)c3nsnc23)sc1c1cccs1,0,-0.246,-0.004,0.242
COc1ccc(C#Cc2ccc(c3ccc(c4ccc(C#Cc5ccc(OC)c(OC)c5)s4)c4nsnc34)s2)cc1OC,0,-0.248,-0.009,0.239
COc1ccc(N(c2ccc(/C=C/c3sc(/C=C(\C#N)/C(=O)O)c4c3OCCO4)cc2)c2ccc(OC)cc2)cc1,0,-0.251,0.011,0.262
Cc1ccsc1c1ccc(c2sc(c3ccc4c(c3)N(C)C(=O)/C/4=C/3\c4ccccc4N(C)C3=O)cc2C)s1,0,-0.244,-0.001,0.243
N#C/C(=C\c1ccc(/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)/C#N)s1)/C(=O)O,0,-0.274,-0.005,0.269
Cc1cc[se]c1,0,-0.317,0.114,0.431
CC1(C)c2cc(C=C(C#N)C#N)sc2c2sc(C=C(C#N)C#N)cc12,0,-0.303,-0.048,0.255
Cn1c(=O)c2c(c3ccc(c4cc5ccccc5o4)s3)n(C)c(=O)c2c1c1ccc(c2cc3ccccc3o2)s1,0,-0.238,-0.008,0.22999999999999998
COc1c2ccsc2c(OC)c2cc(c3cc(C)c(c4nc5sc(c6sccc6C)nc5s4)s3)sc12,0,-0.25,0.014,0.264
Cn1c(=O)c2c(c3cc4sc(c5cccs5)cc4s3)n(C)c(=O)c2c1c1cc2sccc2s1,0,-0.24,-0.002,0.238
COc1c2ccsc2c(OC)c2cc(c3scc4c3C(=O)N(C)C4=O)sc12,0,-0.269,0.018,0.28700000000000003
CC1(C)c2ccccc2c2ccc(N(c3ccc(c4ccc(/C=C/C=C(\C#N)/C(=O)O)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc43)cc12,0,-0.253,-0.0,0.253
Cn1c(=O)c2c(c3ccc(c4cccs4)s3)n(C)c(=O)c2c1c1cccs1,0,-0.244,0.004,0.248
CC1(C)c2ccccc2c2ccc(c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccc(C=C(C#N)C#N)s5)cc4)cc3)cc12,0,-0.26,-0.007,0.253
COc1ccc(C#Cc2ccc(C#Cc3ccc(c4ccc(c5ccc(C#Cc6ccc(C#Cc7ccc(OC)c(OC)c7)cc6)s5)c5nsnc45)s3)cc2)cc1OC,0,-0.247,-0.013,0.23399999999999999
COc1cc2c3ccsc3c3sc(c4sc(c5ccc(c6cc(C)cs6)c6nsnc56)cc4C)cc3c2cc1OC,0,-0.244,-0.002,0.242
Cc1ccc(c2ccc(c3cnc(c4cc5c(s4)c4sc(c6ncc(c7ccc(c8ccc(C)s8)s7)c7nsnc67)cc4[Si]5(C)C)c4nsnc34)s2)s1,0,-0.236,-0.027,0.209
N#CC(=Cc1ccc(c2ccc(N(c3ccc(c4ccc(C=C(C#N)C#N)s4)cc3)c3ccc(c4ccc(C=C(C#N)C#N)s4)cc3)cc2)s1)C#N,0,-0.287,-0.02,0.26699999999999996
Cc1ccc(C2(c3ccc(C)cc3)c3ccsc3c3cc4c(cc23)c2sc(c3cccs3)cc2C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,0,-0.241,0.045,0.286
Cc1ccsc1c1nc2sc(c3sc(c4cc5c(s4)c(C#C[Si](C)(C)C)c4ccsc4c5C#C[Si](C)(C)C)cc3C)nc2s1,0,-0.252,0.006,0.258
CC(=O)c1cc2c(csc2c2cc3c(s2)c2sccc2c(C)c3C)s1,0,-0.261,0.02,0.281
COc1cc(OC)cc(c2nc3c(nc2c2cc(OC)cc(OC)c2)c(c2cccs2)sc3c2cccs2)c1,0,-0.241,0.004,0.245
CC1(C)c2ccccc2c2ccc(N(c3ccc(c4ccc(c5ccc(/C=C(\C#N)/C(=O)O)s5)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc43)cc12,0,-0.251,-0.003,0.248
Cn1c2ccccc2c2ccc(c3ccc(c4ccc(c5cccs5)c5nccnc45)s3)cc12,0,-0.247,0.018,0.265
N#C/C(=C\c1cc(C#N)c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C#N)/C(=O)O,0,-0.273,-0.022,0.251
Cc1nc2c(c3cccs3)nnc(c3ccc(c4ccc5c6ccccc6n(C)c5c4)s3)c2nc1C,0,-0.252,0.013,0.265
CC1(C)c2cc(c3ccc(c4ccc(c5ccc(C=C(C#N)C#N)s5)s4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc12,0,-0.251,-0.016,0.235
Cc1nc(c2nc(C)c(c3ccc(c4sc5c6cc7c(cc6C(C)(C)c5c4)c4sccc4C7(C)C)s3)s2)sc1c1cccs1,0,-0.234,0.013,0.24700000000000003
Cc1ccc(c2c3cc(c4ccc(c5c6c(=O)n(C)c(c7cccs7)c6c(=O)n5C)s4)sc3c(c3ccc(C)cc3)c3ccsc23)cc1,0,-0.239,0.0,0.239
CC1(C)c2ccccc2c2cc3c(cc12)c1ccc(c2ccc(c4ccc(c5cccs5)c5c4[N][C@H](c4ccccc4)[C@@H](c4ccccc4)[N]5)s2)cc1C3(C)C,0,-0.241,0.0,0.241
Cc1ccc(n2c(c3ccsc3)nc3c2c2ccc(C)cc2c2cc(C)ccc32)cc1,0,-0.246,0.081,0.327
Cc1cc(C)cc(c2ccc(N(c3ccc(c4cc5c(s4)c4sc(/C=C(\C#N)/C(=O)O)cc4C5(C)C)cc3)c3ccc(c4cc(C)cc(C)c4)cc3)cc2)c1,0,-0.25,0.002,0.252
COC(=O)c1sc2c(csc2c2cc3c(s2)c(OC)c2ccsc2c3OC)c1F,0,-0.264,0.025,0.28900000000000003
COC(=O)/C(=C/c1cc(C)c(c2ccc(c3sc(c4ccc5c(c4)C(C)(C)c4cc(c6cc(C)c(c7ccc(c8sc(/C=C(\C#N)/C(=O)OC)cc8C)s7)s6)ccc54)cc3C)s2)s1)/C#N,0,-0.247,-0.006,0.241
Cn1c2ccccc2c2ccc(c3ccc(c4sc(c5cccs5)c5nc(c6ccccc6)c(c6ccccc6)nc45)s3)cc12,0,-0.23,-0.0,0.23
Cc1ccc(c2c3cc(c4cc5sc(c6c7c(=O)n(C)c(c8cc9sccc9s8)c7c(=O)n6C)cc5s4)sc3c(c3ccc(C)s3)c3ccsc23)s1,0,-0.237,-0.005,0.23199999999999998
COc1ccc(/C=C/c2ccc(/C=C/c3cc(OC)c(/C=C/c4ccc(/C=C/c5cc(OC)c(/C=C\c6ccc(/C=C/c7cc(OC)c(C=O)cc7OC)s6)cc5OC)s4)cc3OC)s2)cc1,0,-0.224,0.017,0.241
CC1(C)c2ccccc2c2ccc(c3ccc(c4ccc(c5ccc(C6=C(c7ccccc7)C(=C(c7ccc(c8ccc(c9sccc9)s8)s7)[Si]6(C)C)c6ccccc6)s5)s4)s3)cc12,0,-0.227,0.013,0.24000000000000002
N#C/C(=C\c1ccc(c2cc(c3ccc(c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c(c3ccc(c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)/C(=O)O,0,-0.247,-0.005,0.242
CN1c2ccccc2/C(=C\2/c3ccc(c4cccs4)cc3N(C)C2=O)/C1=O,0,-0.269,0.002,0.271
Cc1csc(c2sc(c3cc(C)c(c4cccs4)s3)c3sc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc23)c1,0,-0.248,0.011,0.259
COc1ccc(N(c2ccc(/C=C/c3cc4c(s3)c3sc(/C=C(\C#N)/C(=O)O)cc3C4(C)C)cc2)c2ccc(OC)cc2)cc1,0,-0.243,-0.001,0.242
Cc1ccsc1c1nc2sc(c3sc(c4ccc5c6ccccc6n(C)c5c4)cc3C)nc2s1,0,-0.249,0.023,0.272
Cn1c2ccsc2c2sc(c3ccc(c4ccc(c5cccs5)c5nsnc45)s3)cc12,0,-0.236,-0.003,0.23299999999999998
CC1(C)c2ccccc2c2ccc(N(c3ccc(c4cc5sc(/C=C(\C#N)/C(=O)O)cc5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc43)cc12,0,-0.255,0.0,0.255
Cc1nc(c2nc(C)c(c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)sc1c1ccc(N(c2ccccc2)c2ccccc2)cc1,0,-0.251,0.037,0.288
N#C/C(=C\c1ccc(OCCCCCCOc2ccc(/C=C(/C#N)\c3ccc(N(=O)=O)cc3)cc2O)c(O)c1)/c1ccc(N(=O)=O)cc1,0,-0.309,0.004,0.313
CC1(C)c2ccsc2c2cc3c(cc12)c1sc(c2ccc(c4ccc(c5cccs5)c5nsnc45)s2)cc1C3(C)C,0,-0.235,-0.002,0.23299999999999998
CC1(C)c2ccccc2c2ccc(N(c3ccc4cc(/C=C/c5ccc(/C=C(\C#N)/C(=O)O)s5)oc4c3)c3ccc4c(c3)C(C)(C)c3ccccc43)cc12,0,-0.247,-0.008,0.239
c1csc(c2cc(c3cccs3)c(c3cccs3)s2)c1,0,-0.275,0.058,0.333
Cc1c2cc(c3ccc(c4ccc(c5cccs5)c5nn(C)nc45)s3)sc2c(C)c2ccsc12,0,-0.243,0.017,0.26
CN1c2ccccc2/C(=C\2/c3ccc(c4cc5c(s4)c4sccc4[Si]5(C)C)cc3N(C)C2=O)/C1=O,0,-0.252,0.001,0.253
C(=C\c1cccc2nsnc12)/c1ccc(N(c2ccc(/C=C/c3cccc4nsnc34)cc2)c2ccc(/C=C/c3cccc4nsnc34)cc2)cc1,0,-0.248,0.011,0.259
CC1(C)c2ccccc2c2ccc(N(c3ccc(c4ccc(/C=C(\C#N)/C(=O)O)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc43)cc12,0,-0.256,0.006,0.262
COc1ccc(/C=C/c2ccc(/C=C\c3cc(C)c(/C=C\c4ccc(/C=C/c5cc(C)c(/C=C/c6ccc(/C=C/c7cc(C)c(C=O)cc7C)s6)cc5C)s4)cc3C)s2)cc1,0,-0.237,0.012,0.249
C[Si]1(C)c2cc(c3cnc(c4cccs4)c4nsnc34)sc2c2sc(c3cnc(c4cccs4)c4nsnc34)cc12,0,-0.237,-0.016,0.22099999999999997
Cc1ccsc1c1ccc(c2ccc(c3sccc3C)s2)s1,0,-0.25,0.041,0.291
COc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\C#N)/C(=O)O)s3)cc2)c2ccc(OC)cc2)cc1,0,-0.255,0.004,0.259
Cc1cc(C=C2C(=O)c3ccccc3C2=O)sc1c1cc(C)c(c2cc(C)c(c3ccc(c4sc(c5sc(c6sc(C=C7C(=O)c8ccccc8C7=O)cc6C)cc5C)cc4C)s3)s2)s1,0,-0.235,-0.008,0.22699999999999998
c1csc(c2ccc(c3ccc(c4c(c5ccc(c6cccs6)s5)sc(c5ccc(c6cccs6)s5)c4c4ccc(c5ccc(c6cccs6)s5)s4)s3)s2)c1,0,-0.247,0.025,0.272
Cn1c2ccccc2c2ccc(c3ccc(c4ccc(C5=C(c6ccccc6)C(=C(c6ccc(c7cccs7)s6)[Si]5(C)C)c5ccccc5)s4)s3)cc12,0,-0.23,0.018,0.248
Cc1cc(c2cc(C)c(c3sccc3)s2)sc1c1ccc(c2cccc3nsnc23)s1,0,-0.243,0.007,0.25
CC(=O)c1sc2csc(c3cc4c(s3)c(C)c3ccsc3c4C)c2c1F,0,-0.263,0.01,0.273
Cc1ccc(C2(c3ccc(C)cc3)c3ccsc3c3cc4c(cc23)c2sc(c3cncc5nc6c7ccsc7c7sccc7c6nc35)cc2C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,0,-0.244,0.002,0.246
Cc1cc2c3ccsc3c3sc(c4ccc(c5cnc(c6cccs6)c6nsnc56)s4)cc3c2cc1C,0,-0.244,-0.012,0.23199999999999998
C[Si]1(C)c2ccccc2c2ccc(c3ccc(c4ccc(C5=C(c6ccccc6)C(=C(c6ccc(c7cccs7)s6)[Si]5(C)C)c5ccccc5)s4)s3)cc12,0,-0.229,0.018,0.247
COC(=O)c1sc2csc(c3cc4c(s3)c(OC)c3ccsc3c4OC)c2c1F,0,-0.264,0.013,0.277
COc1ccc(N(c2ccc(OC)cc2)c2ccc(C(=Cc3ccc(/C=C(\C#N)/C(=O)O)s3)c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1,0,-0.247,0.009,0.256
Cc1csc(c2cc(c3ccc(C)s3)c(c3ccc(c4c5c(=O)n(C)c(c6cccs6)c5c(=O)n4C)s3)s2)c1,0,-0.238,0.001,0.239
C=Cc1sccc1C(=O)OC,0,-0.307,0.057,0.364
Cc1c2cc(c3ccc(c4c5nn(C)nc5c(c5cccs5)c(F)c4F)s3)sc2c(C)c2ccsc12,0,-0.248,0.011,0.259
N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)/C(=O)O,0,-0.282,0.027,0.309
O=C1c2ccccc2C(=O)C1=Cc1ccc(c2ccc(N(c3ccc(c4ccc(/C=C/c5cccs5)s4)cc3)c3ccc(c4ccc(/C=C/c5cccs5)s4)cc3)cc2)s1,0,-0.242,0.009,0.251
COc1c2sccc2c2cc(c3cc(C)c(c4nc5sc(c6sccc6C)nc5s4)s3)sc2c1OC,0,-0.249,0.015,0.264
COC(=O)/C(=C/c1cc(C)c(c2ccc(c3sc(c4ccc5c6ccc(c7cc(C)c(c8ccc(c9sc(/C=C(\C#N)/C(=O)OC)cc9C)s8)s7)cc6n(C)c5c4)cc3C)s2)s1)/C#N,0,-0.249,-0.007,0.242
C=Cc1ccc2c3ccc(/C=C/c4cccs4)cc3n(c3ccc(OC)cc3)c2c1,0,-0.251,0.046,0.297
Cc1ccsc1c1sc(c2sc(c3ccc4c(c3)C(C)(C)c3ccccc43)cc2C)c2[n]c3c([n]c12)c1cccc2cccc3c12,0,-0.241,0.016,0.257
COc1ccsc1c1ccc(c2sc(c3ccc4c(c3)C(C)(C)c3ccccc43)cc2OC)c2nsnc12,0,-0.248,0.025,0.273
Cc1cc(c2c3cc(c4cccs4)sc3c(c3cc(C)c(C)s3)c3cc(c4ccc(c5ccc6c(c5F)N(C)C(=O)/C/6=C/5\c6cccc(F)c6N(C)C5=O)s4)sc23)sc1C,0,-0.243,-0.015,0.22799999999999998
COC(=O)c1cc2csc(c3ccc(c4ccc(c5sc(c6ccc(c7sccc7C)s6)cc5C)s4)s3)c2s1,0,-0.234,0.018,0.252
COC(=O)c1cc2c(csc2c2cc3c(s2)c(OC)c2ccsc2c3OC)s1,0,-0.262,0.019,0.281
Cc1nc(c2nc(C)c(c3ccc(c4ccc(c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)s2)sc1c1ccc(c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1,0,-0.239,0.015,0.254
COc1ccsc1c1sc(c2scc3c2C(=O)N(C)C3=O)cc1OC,0,-0.263,0.025,0.28800000000000003
COC(=O)c1sc2c(c3ccc(c4cc5c(s4)c(c4cc(F)c(C)s4)c4ccsc4c5c4cc(F)c(C)s4)s3)sc(c3cccs3)c2c1F,0,-0.249,0.002,0.251
COc1c2ccsc2c(OC)c2cc(c3cc(C)c(c4sc(c5sccc5C)c5c4C(=O)N(C)C5=O)s3)sc12,0,-0.262,0.022,0.28400000000000003
CC1(C)c2ccsc2c2sc(c3c4nsnc4cc(F)c3F)cc12,0,-0.26,-0.0,0.26
Cc1nc2c3ccsc3c3sc(c4ccc(c5cnc(c6sccc6)c6nsnc56)s4)cc3c2nc1C,0,-0.247,-0.012,0.235
COc1c(OC)c(c2cc3sc(c4cc5c(s4)c(c4ccc(C)s4)c4ccsc4c5c4ccc(C)s4)cc3s2)c2nsnc2c1c1cc2sccc2s1,0,-0.239,-0.004,0.235
COc1cccc2c1ccc(c1ccc(c3ccc(c4cccs4)c4nsnc34)s1)c2OC,0,-0.251,0.001,0.252
COc1csc2c1C(C)(C)c1cc(c3scc4c3C(=O)N(C)C4=O)sc21,0,-0.265,0.021,0.28600000000000003
CC1(C)c2cc(c3ccc(c4ccc(C=C(C#N)C#N)s4)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc12,0,-0.256,-0.012,0.244
Cn1c2ccccc2c2cc(c3cc4c(s3)c3sc(/C=C(\C#N)/C(=O)O)cc3C4(C)C)ccc12,0,-0.256,0.004,0.26
Cc1csc(c2cc(C)c(c3scc4c3C(=O)N(C)C4=O)s2)c1,0,-0.27,0.024,0.29400000000000004
Cn1c2ccccc2c2ccc(c3ccc(c4nnc(c5cccs5)c5nccnc45)s3)cc12,0,-0.254,0.003,0.257
Cc1ccc(c2ccc(c3ccc(c4c5c(=O)n(C)c(c6ccc(c7ccc(c8sc(C)cc8)s7)s6)c5c(=O)n4C)s3)s2)s1,0,-0.228,-0.005,0.223
CC(=O)c1cc2csc(c3cc4c(s3)c(c3ccc(C)s3)c3ccsc3c4c3ccc(C)s3)c2s1,0,-0.252,0.028,0.28
COc1cccc(c2nc3c(c4cccs4)ccc(c4ccc(c5cc6c(s5)c(c5ccc(C)s5)c5ccsc5c6c5ccc(C)s5)s4)c3nc2c2cccc(OC)c2)c1,0,-0.241,0.017,0.258
C#Cc1cc(OC)c(C#Cc2scc3nc(c4ccccc4)c(c4ccccc4)nc23)cc1OC,0,-0.257,0.011,0.268
COc1ccc(N(c2ccc(OC)cc2)c2ccc(c3ccc(/C=C(\C#N)/C(=O)O)s3)cc2)cc1,0,-0.261,0.009,0.27
Cn1c2ccccc2c2ccc(c3ccc(c4cnc(c5cccs5)c5nonc45)s3)cc12,0,-0.254,-0.013,0.241
CC1(C)c2ccccc2c2ccc(N(c3ccc(c4cc5sc6cc(/C=C(\C#N)/C(=O)O)sc6c5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc43)cc12,0,-0.253,-0.003,0.25
Cc1cc(c2c3ccsc3c(c3cc(C)c([C])s3)c3[c]c(c4[c][c]c5c([c]4)N([C])C(=O)/C/5=C/4\c5[c][c][c][c]c5N([C])C4=O)sc23)sc1[C],0,-0.251,-0.0,0.251
Cn1c2ccccc2c2ccc(c3ccc(c4ccc(c5cccs5)c5nonc45)s3)cc12,0,-0.254,-0.004,0.25
C(=C\c1ccc(c2ccc(N(c3ccc(c4ccc(/C=C/c5cccs5)s4)cc3)c3ccc(c4ccc(/C=C/c5cccs5)s4)cc3)cc2)s1)/c1cccs1,0,-0.236,0.035,0.271
Cn1c2ccccc2c2ccc(c3ccc(c4c5c(=O)n(C)c(c6cccs6)c5c(=O)n4C)s3)cc12,0,-0.24,0.006,0.246
Cc1csc(c2nc3sc(c4cc(C)c(c5cc6c(s5)c5sccc5[Si]6(C)C)s4)nc3s2)c1,0,-0.246,0.017,0.263
C=Cc1ccc(N(c2ccccc2)c2ccc(/C=C/3\SC(=S)N(CC(=O)O)C3=O)cc2)cc1,0,-0.272,0.022,0.29400000000000004
CC1(C)c2ccccc2c2ccc(c3ccc(c4ccc(c5cccs5)c5nsnc45)s3)cc12,0,-0.249,-0.0,0.249
CC1(C)c2ccccc2c2ccc(c3ccc(c4ccc(C5=C(c6ccccc6)C(=C(c6ccc(c7cccs7)s6)[Si]5(C)C)c5ccccc5)s4)s3)cc12,0,-0.231,0.02,0.251
Cc1cc(/C=C(\C#N)/C(=O)O)sc1c1cc(C)c(c2cc(C)c(c3cc4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc65)c5ccc6c(c5)C(C)(C)c5ccccc65)cc4s3)s2)s1,0,-0.24,-0.006,0.23399999999999999
COc1c2ccsc2c(OC)c2cc(c3scc4sc(C(=O)C)cc34)sc12,0,-0.262,0.015,0.277
N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)/C(=O)O,0,-0.263,0.001,0.264
COc1cccc(c2nc3c(c4cccs4)ccc(c4ccc(c5ccc6c(c5)C(C)(C)c5ccccc65)s4)c3nc2c2cccc(OC)c2)c1,0,-0.248,0.018,0.266
N#C/C(=C\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)/C(=O)O,0,-0.274,0.015,0.28900000000000003
CC1(C)c2cc(c3ccc(/C=C(\C#N)/C(=O)O)s3)ccc2c2ccc(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)cc12,0,-0.252,0.004,0.256
COc1c2ccsc2c(OC)c2c1sc(c1ccc(c3sc(c4nc(C)c(c5cccs5)s4)nc3C)s1)c2,0,-0.248,0.011,0.259
Cc1csc(/C=C/c2cccc3nsnc23)c1C,0,-0.264,0.014,0.278
Cc1csc(c2ccc(c3cc(C)c(c4cc5c(s4)c(c4ccc(C)cc4)c4ccsc4c5c4ccc(C)cc4)s3)c3nsnc23)c1,0,-0.242,-0.002,0.24
N#C/C(=C\c1ccc(c2ccc(c3cc(c4ccc(c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c(c4ccc(c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)s2)s1)/C(=O)O,0,-0.247,-0.009,0.238
Cn1c2cc(C=C(C#N)C#N)sc2c2sc(C=C(C#N)C#N)cc12,0,-0.3,-0.046,0.254
COc1cccc(c2nc3cccc(c4cccs4)c3nc2c2cccc(OC)c2)c1,0,-0.281,0.036,0.317
Cc1csc(C#Cc2cccc3nsnc23)c1C,0,-0.276,0.011,0.28700000000000003
CC1(C)c2ccccc2c2cc3c(cc12)c1cc2c(cc1C3(C)C)c1ccc(c3ccc(c4ccc(c5cccs5)c5nsnc45)s3)cc1C2(C)C,0,-0.241,-0.001,0.24
Cc1ccc(c2c3ccsc3c(c3ccc(C)s3)c3cc(c4ccc(c5nc6sc(c7cccs7)nc6s5)s4)sc23)s1,0,-0.248,0.011,0.259
COc1c2cc(c3ccc(c4c5c(=O)n(C)c(c6cccs6)c5c(=O)n4C)s3)sc2c(OC)c2ccsc12,0,-0.242,-0.002,0.24
CN1C(=O)c2csc(c3cc4c(s3)c3sccc3C4(C)C)c2C1=O,0,-0.264,0.021,0.28500000000000003
COc1c2cc(c3cccs3)sc2c(OC)c2cc(c3ccc(c4ccc5c(c4)N(C)C(=O)/C/5=C/4\c5ccccc5N(C)C4=O)s3)sc12,0,-0.248,-0.004,0.244
COc1c2ccsc2c(OC)c2cc(c3sc(c4scc5ccccc45)c4ccccc34)sc12,0,-0.235,0.017,0.252
Cc1ccc(c2ccc(c3ccc(c4ccc(N(c5ccc(c6ccc(c7ccc(c8ccc(C)s8)s7)s6)cc5)c5ccc(c6ccc(c7ccc(c8ccc(C)s8)s7)s6)cc5)cc4)s3)s2)s1,0,-0.234,0.034,0.268
COc1ccc(c2nc3c(c4cccs4)ccc(c4ccc(c5ccc6c7ccccc7n(C)c6c5)s4)c3nc2c2ccc(OC)cc2)cc1,0,-0.244,0.023,0.267
N#C/C(=C\c1cc(c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c(c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)/C(=O)O,0,-0.25,0.002,0.252
COC(=O)c1cc2csc(c3cc4c(s3)c(C)c3ccsc3c4C)c2s1,0,-0.257,0.032,0.28900000000000003
Cc1ccc(c2c3sc4cc(c5scc6cc(S(=O)(=O)C)sc56)sc4c3c(c3ccc(C)s3)c3sc4ccsc4c23)s1,0,-0.253,0.022,0.275
COC(=O)c1sc2c(c3ccc(c4cc5c(s4)c(c4ccc(OC)cc4)c4ccsc4c5c4ccc(OC)cc4)s3)sc(c3cccs3)c2c1F,0,-0.242,0.008,0.25
C#Cc1cc2c(s1)c1sc(C#Cc3scc4nc(c5ccccc5)c(c5ccccc5)nc34)cc1C2(C)C,0,-0.243,0.005,0.248
C=Cc1ccc2c3ccc(/C=C/c4sc(c5cc(C)cs5)cc4C)cc3n(c3ccc(OC)cc3)c2c1,0,-0.24,0.038,0.27799999999999997
COc1c2ccsc2c(OC)c2cc(c3scc4cc(C(=O)C)sc34)sc12,0,-0.257,0.03,0.28700000000000003
Cc1ccc(c2c3cc(c4ccc(c5sc(c6cccs6)c6cc(S(=O)(=O)C)sc56)s4)sc3c(c3ccc(C)s3)c3ccsc23)s1,0,-0.245,0.005,0.25
COc1ccc(N(c2ccc(OC)cc2)c2ccc(c3ccc(/C=C(\C#N)/C(=O)O)o3)cc2)cc1,0,-0.256,0.02,0.276
Cc1cc2c3cc(C)sc3c3nc4c(cccc4c4ccc(c5ccc6c(c5)C(C)(C)c5cc(c7cccs7)ccc65)s4)nc3c2s1,0,-0.247,0.01,0.257
Cc1cc(c2cc(C)c(c3ccc(c4sc(c5nc(C)c(c6cccs6)s5)nc4C)s3)s2)sc1,0,-0.245,0.014,0.259
Cc1csc(c2ccc(c3cc(C)c(c4cc5c(s4)c(C)c4ccsc4c5C)s3)c3nsnc23)c1,0,-0.243,-0.004,0.239
CSc1ccc(c2ccc(c3csc(c4cc(c5ccc(c6ccc(SC)s6)s5)sc4c4sc(c5ccc(c6ccc(S[CH2])s6)s5)[c]c4c4[c][c]c(c5[c][c]c(c6[c][c]c(S[C])s6)s5)s4)[c]3)s2)s1,0,-0.252,0.022,0.274
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)sc1c1cc(C)c(c2cc(C)c(c3ccc(c4sc(c5sc(c6sc(C=C7C(=O)N(C)C(=O)N(C)C7=O)cc6C)cc5C)cc4C)s3)s2)s1,0,-0.243,-0.016,0.22699999999999998
C=Cc1cc(OC)ccc1OC,0,-0.286,0.097,0.383
Cc1nc2c(nc1C)c(c1ccc(c3ccc4c5ccccc5n(C)c4c3)s1)sc2c1cccs1,0,-0.229,0.009,0.23800000000000002
COc1c2ccsc2c(OC)c2c1sc(c1cc(C)c(c3sc(c4nc(C)c(c5sccc5C)s4)nc3C)s1)c2,0,-0.247,0.019,0.266
COc1c2cc(c3cc(C)c(c4ccc(c5sc([CH]C6=[S]C(=S)N(C)C6=O)cc5C)s4)s3)sc2c(OC)c2cc(c3cc(C)c(c4ccc(c5sc([CH]C6=[S]C(=S)N(C)C6=O)cc5C)s4)s3)sc12,0,-0.24,-0.007,0.23299999999999998
COc1c2ccsc2c(OC)c2cc(c3scc4sc(C(=O)C)c(F)c34)sc12,0,-0.265,0.012,0.277
Cn1c(=O)c2c(c3cc4sccc4s3)n(C)c(=O)c2c1c1cc2sccc2s1,0,-0.244,0.002,0.246
CC1(C)c2cc(/C=C(\C#N)/c3ccc(/C=C(\C#N)/C(=O)O)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc12,0,-0.263,-0.01,0.253
COc1ccc(c2nc3c(c4scc5c4OCCO5)ccc(c4sc(c5ccc6c(c5)C(C)(C)c5ccccc65)c5c4OCCO5)c3nc2c2ccc(OC)cc2)cc1,0,-0.241,0.032,0.273
Cc1ccc(C2(c3ccc(C)cc3)c3ccsc3c3cc4c(cc23)c2sc(c3ccc(c5ccc(c6cccs6)c6nsnc56)s3)cc2C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,0,-0.235,-0.002,0.23299999999999998
COc1c(OC)c(c2ccc(c3ccc4c5ccccc5n(C)c4c3)s2)c2nsnc2c1c1cccs1,0,-0.246,0.006,0.252
Cn1c2ccccc2c2ccc(c3ccc(c4nnc(c5cccs5)c5nonc45)s3)cc12,0,-0.264,-0.02,0.24400000000000002
COc1ccc(N(c2ccc(OC)cc2)c2cccc(n3c4ccccc4c4ccc(c5ccc(c6c7nsnc7c(c7cccs7)c7nc(c8ccccc8)c(c8ccccc8)nc67)s5)cc34)c2)cc1,0,-0.228,-0.029,0.199
Cc1csc(c2ccc(c3cc(C)c(c4cc5c(s4)c4sccc4c4cc(C)c(C)cc54)s3)c3nsnc23)c1,0,-0.24,-0.003,0.237
COc1ccc2c(c1)c1cc(OC)c(c3ccc(c4ccc(c5cccs5)c5nsnc45)s3)cc1[Si]2(C)C,0,-0.249,0.001,0.25
COc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(OC)c(OC)c3)c3ccccc23)cc1OC,0,-0.238,0.013,0.251
Cn1c(=O)c2c(c3ccc(c4ccc(C(F)(F)F)cc4)s3)n(C)c(=O)c2c1c1ccc(c2ccc(C(F)(F)F)cc2)s1,0,-0.252,-0.014,0.238
COCc1cc2csc(c3cc4c(s3)c(OC)c3ccsc3c4OC)c2s1,0,-0.253,0.046,0.299
Cc1cc(/C=C(\C#N)/C(=O)O)sc1c1cc(C)c(c2cc(C)c(c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc54)c4ccc5c(c4)C(C)(C)c4ccccc54)cc3)s2)s1,0,-0.245,-0.004,0.241
Cc1ccsc1c1sc(c2sc(c3sc(c4sccc4C)c(C)c3)cc2C)c2[n]c3c([n]c12)c1cccc2cccc3c12,0,-0.239,0.013,0.252
Cc1ccc(c2c3cc(c4ccc(c5sc(c6cccs6)c6c5C(=O)c5c(C)sc(C)c5C6=O)s4)sc3c(c3ccc(C)s3)c3ccsc23)s1,0,-0.246,0.012,0.258
Cn1c(c2ccc(/C=C(\C#N)/C(=O)O)cc2)ccc1c1ccc(N(c2ccccc2)c2ccccc2)cc1,0,-0.255,0.015,0.27
N#CC(=Cc1ccc(c2ccc(N(c3ccc(c4ccc(/C=C/c5cccs5)s4)cc3)c3ccc(c4ccc(/C=C/c5cccs5)s4)cc3)cc2)s1)C#N,0,-0.248,-0.005,0.243
COC(=O)c1cc2c(csc2c2sc3c(c2F)c(OC)c2scc(F)c2c3OC)s1,0,-0.27,0.014,0.28400000000000003
COc1c2sc(c3ccc(c4c5c(=O)n(C)c(c6cccs6)c5c(=O)n4C)s3)cc2cc2c1cc1cc(c3ccc(c4c5c(=O)n(C)c(c6cccs6)c5c(=O)n4C)s3)sc1c2OC,0,-0.237,-0.01,0.22699999999999998
Cn1c(c2ccc(/C=C(\C#N)/C(=O)O)s2)ccc1c1ccc(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc32)s1,0,-0.248,0.005,0.253
C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)/c1ccc(c2ccc(c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3nsnc23)s1,0,-0.229,-0.003,0.226
CC1(C)c2cc(/C=C(\C#N)/C(=O)O)sc2c2sc(c3ccc(N(c4ccc(N5c6ccccc6Sc6ccccc56)cc4)c4ccc(N5c6ccccc6Sc6ccccc56)cc4)cc3)cc12,0,-0.263,-0.005,0.258
COc1c(OC)c(c2ccc(c3ccc4c(c3)C(C)(C)c3ccccc43)s2)c2nsnc2c1c1cccs1,0,-0.246,0.007,0.253
COC(=O)c1cc2csc(c3ccc(c4ccc(c5sccc5C)s4)s3)c2s1,0,-0.248,0.026,0.274
COc1ccc(N(c2ccc(OC)cc2)c2ccc(c3sc(c4cc5sc(/C=C(\C#N)/C(=O)O)cc5s4)c4c3OCCO4)cc2)cc1,0,-0.244,-0.001,0.243
COc1c2sccc2c2cc(c3ccc(c4sc(c5nc(C)c(c6cccs6)s5)nc4C)s3)sc2c1OC,0,-0.248,0.011,0.259
N#C/C(=C\c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)/C(=O)O,0,-0.248,-0.007,0.241
Cc1ccc(c2c3cc(c4sc5cc(c6ccc(c7csc8c(C)csc78)c7nsnc67)sc5c4C)sc3c(c3ccc(C)s3)c3ccsc23)s1,0,-0.244,-0.003,0.241
Cn1c(=O)c2c(c3ccc(c4cc5ccccc5c5ccccc45)s3)n(C)c(=O)c2c1c1ccc(c2cc3ccccc3c3ccccc23)s1,0,-0.241,0.007,0.248
COc1c2ccsc2c(OC)c2cc(c3sc(c4sc(c5cc(C)cs5)c5c4C(=O)N(C)C5=O)cc3C)sc12,0,-0.25,0.013,0.263
Cc1cc(c2cc(C)c(c3sc(c4cc(C)c(c5nc6scnc6s5)s4)cc3C)s2)sc1,0,-0.256,0.02,0.276
COc1cc2c3ccsc3c3sc(c4cccc5nsnc45)cc3c2cc1OC,0,-0.26,0.007,0.267
Cc1nc(c2nc(C)c(c3ccc(c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)sc1c1ccc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1,0,-0.238,0.018,0.256
N#C/C(=C\c1ccc(C=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)/C(=O)O,0,-0.259,0.005,0.264
Cn1c(=O)c2c(c3ccc(c4ccco4)o3)n(C)c(=O)c2c1c1ccco1,0,-0.24,0.013,0.253
Cn1c(=O)c2c(c3ccc(C#Cc4cc5ccccc5c5ccccc45)s3)n(C)c(=O)c2c1c1ccc(C#Cc2cc3ccccc3c3ccccc23)s1,0,-0.242,-0.008,0.23399999999999999
COc1ccc(N(c2ccc(OC)cc2)c2ccc(c3sc(/C=C(\C#N)/C(=O)O)c4c3OCCO4)cc2)cc1,0,-0.256,0.015,0.271
CC1(C)CC(=C/C(=C(\C#N)/C(=O)O)/C1)/C=C/c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,0,-0.248,0.013,0.261
CC1(C)c2ccccc2c2ccc(c3ccc(c4ccc(c5cccs5)c5c4[N][C@@H](c4ccccc4)[C@H](c4ccccc4)[N]5)s3)cc12,0,-0.244,0.0,0.244
Cc1csc(c2c3nsnc3c(c3cc(C)c(c4cc5c(s4)c(C)c4ccsc4c5C)s3)c(F)c2F)c1,0,-0.249,-0.012,0.237
CC1(C)c2ccccc2c2ccc(c3ccc(C4=C(c5ccccc5)C(=C(c5cccs5)[Si]4(C)C)c4ccccc4)s3)cc12,0,-0.237,0.03,0.267
Cc1ccc(c2c3ccsc3c(c3ccc(C)s3)c3cc(c4ccc(c5c6c(=O)n(C)c(c7cccs7)c6c(=O)n5C)s4)sc23)s1,0,-0.24,-0.001,0.239
C[Si]1(C)c2ccccc2c2ccc(c3ccc(c4ccc(c5cccs5)c5nsnc45)s3)cc12,0,-0.249,-0.0,0.249
N#C/C(=C\c1ccc(/C=C/c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)/C(=O)O,0,-0.253,-0.005,0.248
C=Cc1cc(OC)c(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C(\C#N)/c4ccc(N(=O)=O)cc4)cc3)cc2)cc1OC,0,-0.255,0.008,0.263
COc1c2cc(C)sc2c(OC)c2cc(c3ccc(c4sc(c5ccc(C)s5)c5c4C(=O)N(C)C5=O)s3)sc12,0,-0.252,0.011,0.263
Cc1c2ccsc2c(C)c2cc(c3ccc(c4cnc(c5cccs5)c5nsnc45)s3)sc12,0,-0.249,-0.013,0.236
CC(=O)c1cc2c(csc2c2cc3c(s2)c(C)c2ccsc2c3C)s1,0,-0.26,0.016,0.276
Cc1cc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1c1cnc(c2ncc(c3sc(c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3C)s2)s1,0,-0.238,0.02,0.258
Cc1ccc(C2(c3ccc(C)cc3)c3ccsc3c3cc4c(cc23)c2sc(c3cccc5nc6c7ccsc7c7sccc7c6nc35)cc2C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,0,-0.243,0.012,0.255
Cc1cc(c2cc3c4nsnc4c(c4cc(C)c(c5cccs5)s4)cc3c3nsnc23)sc1c1cccs1,0,-0.249,-0.018,0.231