SMILE
stringlengths 1
100
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stringlengths 3
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|---|---|
CCc1nc2c(-c3ccc(N(C)C)nc3C)ccnc2n1C(CC)C1CC1 | [C][C][C][=N][C][=C][Branch1][P][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2][C][C][=C][N][=C][Ring1][S][N][Ring2][Ring1][Ring1][C][Branch1][Ring1][C][C][C][C][C][Ring1][Ring1] |
COc1ccc(OC)c(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][O][N][C][C][=Branch1][C][=O][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][#C][N][=C][Ring2][Ring1][Branch2] |
O=C1c2cc([N+](=O)[O-])ccc2CCC1n1ccnc1 | [O][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][C][C][Ring1][=N][N][C][=C][N][=C][Ring1][Branch1] |
COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CCNC(=O)C4)CC3)cc1OC)C(=O)C2 | [C][O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][C][C][C][C][C][C][C][Branch1][N][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][Ring2][Ring2][N] |
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NC(CC(=O)O)C(=O)O)n1 | [C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][O][C][=C][Ring1][#Branch2][O][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][=N][Ring1][P] |
COc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][O][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CCOc1cc2nc(-c3ccc(NC(=O)C=Cc4ccc(F)cc4)cc3)n(O)c2cc1[N+](=O)[O-] | [C][C][O][C][=C][C][N][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][N][Branch1][C][O][C][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][N+1][=Branch1][C][=O][O-1] |
CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)C(=O)c1nc2ccccc2s1 | [C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][C][N][C][Ring1][Branch1][=O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
O=C(O)c1ccc(ON=Cc2ccccc2C(F)(F)F)cc1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1] |
O=C(O)CCC(=O)Nc1cc(Cl)cc(Cl)c1 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CCNC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(C)C4CCC3(C)C1(C)CC2 | [C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][C][C][Branch1][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][C][C][C][Ring1][#C][Branch1][C][C][C][Ring2][Ring1][Ring2][Branch1][C][C][C][C][Ring2][Ring1][#C] |
CC(Cl)=CCn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][Cl][=C][C][N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] |
Cc1cc(-c2ccc(-c3cc4c(C)c(C)cc(C)c4o3)[nH]2)c(C)cc1C(=O)O | [C][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][Ring1][N][NH1][Ring1][P][=C][Branch1][C][C][C][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O] |
COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)CCC2)cc1O | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O] |
CC(C)C(C(=O)O)N1CC(CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)C(c2ccccc2)C1 | [C][C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][Branch2][Ring1][S][C][N][C][C][C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][N][C][C][Ring2][Ring1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=C] |
Cc1ccc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring2][S][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][C][N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Ring1][N][=O][C][Branch1][C][C][=C][Ring2][Ring2][C] |
CCN(Cc1cccc(C)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 | [C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Ring1][O][O][C][NH1][Ring2][Ring1][C] |
Cc1ccc(Nc2cc(NC3CC3)n3ncc(C=C4N=C(O)N=C4O)c3n2)cc1C#N | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][N][=C][C][Branch1][=N][C][=C][N][=C][Branch1][C][O][N][=C][Ring1][=Branch1][O][=C][Ring1][=N][N][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N][C][#N] |
COc1cc(OC)c2c(c1)OC1(c3ccc4c(c3)OCO4)C(c3ccccc3)CC(O)C21O | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1][O] |
O=C(O)C1=C(Nc2cccc(F)c2)C(=O)c2ccccc2C1=O | [O][=C][Branch1][C][O][C][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] |
CCN1CN(c2ccccc2)C2(CCN(CC(CC3OCCO3)c3ccc(F)cc3)CC2)C1=O | [C][C][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][Ring1][C][C][N][Branch2][Ring1][Branch2][C][C][Branch1][=Branch2][C][C][O][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#C][=O] |
Cc1ccc(S(=O)(=O)N2CC3(O)CC4C(=O)N(c5ccccc5)C(=O)C4CC3(OC(=O)NC3CCCC3)C2)cc1 | [C][C][=C][C][=C][Branch2][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][C][C][Ring2][Ring1][C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][#Branch1] |
CCOC(=O)c1nc(O)c2c3c(sc2n1)CCCC3 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][C][O][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][C][C][C][Ring1][=Branch2] |
COCCCCNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 | [C][O][C][C][C][C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][Ring1][N] |
COc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3)c(O)nc2cc1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][N][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][O][C] |
COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(OC)cc4)c(=O)c3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
CC1(C(=O)Nc2cc(C3CC3)n[nH]2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 | [C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][C][C][C][N][Ring1][S][C][N][=C][Branch1][S][N][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][C][=C][C][=C][N][Ring1][Branch1][N][=Ring2][Ring1][C] |
COc1ccc(Cn2ncc(NC(=O)c3ccc(NC(=O)c4cc(C)on4)cc3C)c2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][N][N][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][N][C][=C][Ring2][Ring1][S] |
COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C3OC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)ccc1O | [C][O][C][=C][C][Branch2][#Branch1][Ring2][C][=C][C][=Branch1][C][=O][O][C][C][O][C][Branch2][Branch1][=Branch2][O][C][Branch1][Ring1][C][O][O][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring2][#Branch2][O][=C][C][=C][Ring2][Branch1][#Branch1][O] |
Cc1cc(C2=NN(C(=S)Nc3ccccc3C)C(c3ccc(Cl)cc3)C2)ccc1O | [C][C][=C][C][Branch2][Ring2][=Branch1][C][=N][N][Branch1][#C][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][N][O] |
COCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 | [C][O][C][C][N][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][#Branch1] |
NC(=O)c1cc(-c2ccncc2F)[nH]c1-c1ccccc1 | [N][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][NH1][C][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCOC(=O)CSc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][N][Branch2][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C] |
CN(C)C12CCN(CCN)C(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2 | [C][N][Branch1][C][C][C][C][C][N][Branch1][Ring2][C][C][N][C][Branch2][Ring1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch2] |
COCOCCS(=O)(=O)C1C(C(=O)NC(Cc2cscn2)C(=O)NC(CC2CCCCC2)C(O)C(O)CC(C)C)C1c1ccccc1 | [C][O][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][O][C][C][Branch1][C][C][C][C][Ring2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(C[S+]([O-])c1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O | [O][=C][Branch1][=C][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] |
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][=C][Ring2][Ring1][C] |
COC1CCC(N=c2cc3n(-c4ccc(C(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 | [C][O][C][C][C][C][Branch2][Branch1][=Branch1][N][=C][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring2][=Branch1] |
CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccncc4)cc3)[nH]c2c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][NH1][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CSC1(COC(C)=O)C(=O)N2C3C(=CC=CC3OC(C)=O)CC2(SC)C(=O)N1C | [C][S][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][=Branch1][=N][=C][C][=C][C][Ring1][=Branch1][O][C][Branch1][C][C][=O][C][C][Ring1][=N][Branch1][Ring1][S][C][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch2][C] |
CC1CCNC(=O)c2cc3ccc(C(O)=Nc4nc5ccccc5n4CCCN(C)C)cc3n21 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][C][O][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2][N][Ring2][Ring1][O][Ring2][Ring1][P] |
CCNC(=O)C1OC(n2cnc3c(N)nc(NCCN4CCN(c5cccc(Cl)c5)CC4)nc32)C(O)C1O | [C][C][N][C][=Branch1][C][=O][C][O][C][Branch2][Ring2][=C][N][C][=N][C][=C][Branch1][C][N][N][=C][Branch2][Ring1][=Branch2][N][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C][Branch1][C][O][C][Ring2][Ring1][S][O] |
CC1CCC2C(C)C(CCC(=O)N3CCC(Cc4ccccc4)CC3)OC3OC4(C)CCC1C32OO4 | [C][C][C][C][C][C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][O][C][O][C][Branch1][C][C][C][C][C][Ring2][Ring1][S][C][Ring1][Branch2][Ring2][Ring1][=C][O][O][Ring1][Branch2] |
Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccco3)n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][NH1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] |
CC(C)(CO)CNc1cc(=O)[nH]c(N)n1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][Ring1][Branch2] |
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1cccc(Cl)c1 | [O][=C][Branch2][Ring1][=C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
C=C(C)CNC(=O)C(C)(C)C1C=CC2(COCOC)C(C=C(C)CC2OC(=O)NC(C)C)C1 | [C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch1][=Branch1][C][O][C][O][C][C][Branch2][Ring1][Branch1][C][=C][Branch1][C][C][C][C][Ring1][N][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch1] |
CC(C)CCC1(C(=O)Nc2cc(Cl)c(Cl)cc2SC(=O)C(C)(C)C)CCCCC1 | [C][C][Branch1][C][C][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][Ring2][Ring1][Branch2] |
CCCCCCCCN1C(CC(C)=O)c2ccc(C=CC(C)=O)cc2S1(=O)=O | [C][C][C][C][C][C][C][C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][C][Branch1][C][C][=O][C][=C][Ring1][O][S][Ring2][Ring1][C][=Branch1][C][=O][=O] |
CC(O)=Nc1n[nH]c2cc(NC(O)=NC(COC(F)F)c3ccccc3)ncc12 | [C][C][Branch1][C][O][=N][C][=N][NH1][C][=C][C][Branch2][Ring1][=Branch2][N][C][Branch1][C][O][=N][C][Branch1][Branch2][C][O][C][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1] |
CSc1nccc(N2CCC(N(C)Cc3ccc(C)cc3)CC2)n1 | [C][S][C][=N][C][=C][C][Branch2][Ring1][O][N][C][C][C][Branch1][P][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S][=N][Ring2][Ring1][=Branch1] |
CCc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1N | [C][C][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=Branch1][C][=O][N][Ring1][P][N] |
Cc1cccc(CC(Nc2ccccc2)C(=O)NC(C#N)COCc2ccc(C(=O)O)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][P] |
CCn1ccc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)n1 | [C][C][N][C][=C][C][Branch2][Ring2][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][=N][Ring1][N][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][S] |
CC(C)C(=O)N1CCCC(Cc2cccnc2)C1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N] |
COc1ccc(-c2c(C)nn3c(NCc4ccccn4)cc(C)nc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][Branch1][C][C][=N][N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][Branch1][C][C][=N][C][=Ring2][Ring1][Ring1][Ring1][#C][C][=C][Ring2][Ring1][=Branch2] |
C=C1CCC2C(C)C(=O)OC2C2C(C)OC(=O)CC12 | [C][=C][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][Ring2][Ring1][C][Ring1][Branch2] |
C=C(c1ccc(Cl)cc1)C1CCOC2(CCCCC2)OO1 | [C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][O][Ring1][N] |
COc1cc2c(c(OC)c1)C(=O)N(c1cccc(C(F)(F)F)c1)C(=O)C2 | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1] |
Cc1c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(=O)n(C)c(=O)n1C | [C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C] |
CCc1[nH]nc(-c2nnn[nH]2)c1F | [C][C][C][NH1][N][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=Ring1][#Branch2][F] |
CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O1 | [C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][Branch2][Ring2][Ring2][C][Branch1][C][O][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2][O][Ring2][Ring1][N] |
Cc1ccc(Cl)c(Nc2c(C(=O)N3CCC4(CC3)OCc3ccccc34)cnc3c(S(=O)(=O)NC(=O)C4(C)COC4)cnn23)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][=Branch1][Branch1][N][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=N][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][O][C][Ring1][Branch1][C][=N][N][Ring2][Ring2][Ring2][Ring1][S][=C][Ring2][Ring2][N] |
COc1ccc(-c2cnc3c(c2)C(=O)N(C(C)CO)CC(C)C(CN(C)Cc2ccccc2)O3)cc1 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][Branch1][C][C][C][O][C][C][Branch1][C][C][C][Branch1][#C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][C] |
COc1ccc(C(=O)CN2c3ccccc3Oc3ccc(Cl)cc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
Nc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(Cl)cc1 | [N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CC1OC(OCC2COC(O)(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C2O)C(O)C(O)C1O | [C][C][O][C][Branch2][Branch1][=N][O][C][C][C][O][C][Branch1][C][O][Branch2][Ring2][Branch2][O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2][=O][C][Branch1][C][O][C][Ring2][Ring1][=C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring2][=Branch2][O] |
CC(OC(=O)N1CC2CC1CN2C(=O)C1(C(C)C)CCC(NC2CCOCC2F)C1)C(F)(F)F | [C][C][Branch2][Ring2][#C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][Branch1][O][N][C][C][C][O][C][C][Ring1][=Branch1][F][C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F] |
NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1 | [N][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch2][Ring1][C][C][C][=C][S][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][=N][Ring1][#Branch2][N][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1CC1SC(=O)NC1=O | [C][C][=C][C][Branch2][Ring1][Branch1][O][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=C][C][=C][Ring2][Ring1][C][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O] |
COc1cc2c(cc1OC)C(c1ccccc1)N(CC(O)CSc1nnnn1-c1ccccc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch1][C][C][Branch1][C][O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][S] |
CN(C)c1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccc(Cl)cc2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N] |
O=C(Nc1nn[nH]n1)c1cccc(Br)n1 | [O][=C][Branch1][=Branch2][N][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1] |
N#CCC(=O)NN=C(CBr)c1ccc(Br)cc1 | [N][#C][C][C][=Branch1][C][=O][N][N][=C][Branch1][Ring1][C][Br][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
COc1ccc2sc(C(N)=O)c(SCCN)c2c1 | [C][O][C][=C][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][Branch1][S][C][C][N][C][Ring1][N][=C][Ring1][S] |
N#CC(Cc1ccc(-n2cc(C(F)(F)F)cn2)cc1F)NC(=O)C1NC2CCC1C2 | [N][#C][C][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][=Branch2][C][=C][Ring1][#C][F][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] |
COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)CSCC(=O)O)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][S][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2] |
N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 | [N][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][S] |
CCCCCCCCC(=O)NCc1cc(O)cc(OC)c1 | [C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CCCCCCC[S+]([O-])c1ccccc1OC(C)=O | [C][C][C][C][C][C][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O] |
O=C(CSC1=Nc2ccccc2N=C(c2ccc(F)cc2)C1)Nc1cccc(C(F)(F)F)c1 | [O][=C][Branch2][Ring1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
C=CCN(c1ccncc1)C1CCN(CC2CN(C(=O)C3CCCCC3)CC2c2ccccc2)CC1 | [C][=C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2] |
CC1(C)C=Cc2cc(-c3ccco3)cc(C=C(C#N)c3ccc(O)cc3)c2O1 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch2][Ring1][C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1][O][Ring2][Ring1][O] |
CCn1c(=Cc2cccc[n+]2C)sc(=C2Sc3ccc(Cl)cc3N2C)c1=O | [C][C][N][C][=Branch1][O][=C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][S][C][=Branch2][Ring1][C][=C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2][=O] |
O=C(O)c1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C] |
COCC(=O)NCc1ccc2c(c1)cc(C)n2C | [C][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][C][C][N][Ring1][#Branch1][C] |
COc1cccc(CN2CCN(C(S)=NCc3ccc(Cl)cc3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][N][C][C][N][Branch2][Ring1][C][C][Branch1][C][S][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][P][=C][Ring2][Ring1][Branch2] |
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CC)Cc3ccccc3)c2)CC1 | [C][C][N][C][C][N][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][N] |
CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1CCOc2ccc(OC3CCOC3)cc21 | [C][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][N][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][N][Ring1][S] |
COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)CC2OC(C)=O)cc1NC=O | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=Branch1][C][=O][C][C][Ring2][Ring1][C][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][N][N][C][=O] |
OC(=Nc1cc(C2CCNCC2)nn1-c1ccc(C2CC2)cc1)c1cnn2cccnc12 | [O][C][=Branch2][Ring2][C][=N][C][=C][C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1] |
CCOC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)C(N)Cc6c[nH]c7ccccc67)C(C)(C)C5CCC43C)C2C1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][=Branch2][Branch1][=N][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch2][C][C][C][Ring2][Ring1][N][Ring2][Ring2][C][C][C][Ring2][Ring2][Branch2][C][Ring2][Ring2][=N] |
C[S+](O)c1ccc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4cc5c(cc4Cl)OCO5)ccc2CC3)cc1 | [C][S+1][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][Branch1][N][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][Branch2][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][O][Ring1][Branch2][=C][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][Ring1] |
CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc1ccc(F)cc1 | [C][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=C][N][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
O=c1c2ccccc2nc(-c2ccccc2Cl)n1CCc1ccc2nc(-c3ccccc3Cl)n(-c3ccc(Cl)c(Cl)c3)c(=O)c2c1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][P][C][C][C][=C][C][=C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CC(C(=O)Nc1ccc(N2CCCCC2)nc1)n1cncn1 | [C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][N][N][C][=N][C][=N][Ring1][Branch1] |
O=S(=O)(Nc1ccccc1)c1ccc(-c2nccn2Cc2ccccc2)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][P][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
N#Cc1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1 | [N][#C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CC1(C)C2CCC13C(=O)C1OC3(C2)C2C(=O)N(c3ccccc3)C(=O)C12 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][Ring1][=Branch1][Branch1][Ring2][C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N] |
O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCCCCC2)nc1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][=N] |
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