SMILE
stringlengths 1
100
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stringlengths 3
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O=C(NCCc1ccccc1)c1ccncc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] |
O=C(Nc1cccc(C(F)(F)F)c1)ON=C(Cl)CCl | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][N][=C][Branch1][C][Cl][C][Cl] |
CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] |
O=C(c1ncn2c1Cn1nccc1-c1ccccc1-2)C1CC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][=C][N][C][=Ring1][Branch1][C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][C][Ring1][Ring1] |
CCOC(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] |
CCCn1c(-c2ccccc2)cc(C(=O)NCCCN2CCN(c3cccc4cccnc34)CC2)c1C | [C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S][=C][Ring2][Ring1][P][C] |
COCC(=O)N1CCC2OC(C)CC2C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2] |
O=C1CSC(c2ccccc2)N1CC12CC3CC(CC(O)(C3)C1)C2 | [O][=C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][C][C][C][Branch1][=C][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring1][O] |
CC(C)(C)OC(=O)C1N2C(=O)C(=Cc3ccccc3)C2S(=O)(=O)C1(C)C | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][P][Branch1][C][C][C] |
O=C(CCN1C(=O)CSC1=O)Nc1ccccc1 | [O][=C][Branch1][=C][C][C][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1nc2c(o1)c1c(C)coc1c1ccc3c(c12)CCCC3(C)C | [C][C][=N][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][C][Branch1][C][C][=C][O][C][=Ring1][=Branch1][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C] |
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)O | [C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] |
CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cnc(SC)nc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][N][Branch1][=C][C][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch2] |
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)Nc3ccc(C(F)(F)F)cc3Cl)c2)c(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][S] |
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(F)c4onc(N)c34)cc2)c1 | [C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][O][N][=C][Branch1][C][N][C][Ring1][O][=Ring1][=Branch1][C][=C][Ring1][P][=C][Ring2][Ring1][N] |
COc1cccc2c(CCN(C)C)cn(S(=O)(=O)c3ccc4ccccc4c3)c12 | [C][O][C][=C][C][=C][C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][=C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][O][=Ring2][Ring1][#Branch1] |
CCNC(=O)C1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] |
Cc1cc(C(=O)OCC(=O)c2ccccc2)c2ccccc2n1 | [C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
CC(NC(=O)c1ccccc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][Branch1][C][F][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][N] |
CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4noc(CO)n4)c32)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][N][C][=N][O][C][Branch1][Ring1][C][O][=N][Ring1][#Branch1][=C][Ring1][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1] |
O=C(CNC(=O)NC1CCCCC1)NC(Cc1ccccc1)C(=O)O | [O][=C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
Cc1ccc(CNC(=O)c2oc3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring2][P][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C][C][=C][Ring2][Ring1][P] |
CC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C | [C][C][=Branch1][C][=O][C][=Branch2][Ring1][=Branch1][=C][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] |
N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cccc(F)c1F | [N][#C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][P][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
COc1ccccc1C(=O)Nc1c(C(=O)N(C)Cc2ccccc2)sc2nc(C)c(Cl)c(C)c12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch2] |
O=C(Nc1ccc(Cl)cn1)c1ccc2nccnc2c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CCCOC1Sc2nnc(C)n2N=C1c1ccccc1 | [C][C][C][O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccccc1Nc1ncnc2cc(N)ncc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][C][=C][C][Branch1][C][N][=N][C][=C][Ring1][O][Ring1][#Branch1] |
O=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2cc(I)ccc2N1 | [O][=C][C][C][=C][Branch2][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][Ring1][#Branch2][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][#Branch1] |
CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2C1O3 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][C][C][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=C][Ring1][=Branch2][C][Ring1][=N][O][Ring2][Ring1][C] |
COc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccc(C)cc4c32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
ON=Cc1ccc[n+](-c2ccc(-[n+]3cccc(C=NO)c3)s2)c1 | [O][N][=C][C][=C][C][=C][N+1][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=C][N+1][=C][C][=C][C][Branch1][Ring2][C][=N][O][=C][Ring1][=Branch2][S][Ring1][=C][=C][Ring2][Ring1][Ring2] |
CCN(CC)c1ccc2ccc(C(=O)O)cn12 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][N][Ring1][=Branch2] |
COc1ccc(S(=O)(=O)NCCc2ccc(F)c3ccccc23)cc1N1CCN(C)CC1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CC1(O)CC(=O)OC(CCc2ccc(Cl)cc2Cl)C1 | [C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][Branch1][#C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][C] |
CCC1CCC2(CC1)OOC1(CCC3(C)C(CC(OC(C)=O)C4C3CC(OC(C)=O)C3(C)C(C(C)CCC(=O)NC)CCC43)C1)OO2 | [C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][O][C][Branch2][=Branch1][C][C][C][C][Branch1][C][C][C][Branch2][Branch1][Ring2][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][Ring1][O][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][C][Branch1][=N][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring2][Ring1][=Branch1][Ring1][=C][C][Ring2][Ring2][Ring1][O][O][Ring2][Ring2][#Branch2] |
O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][NH1][Ring1][=C] |
O=C(O)COCCCCC1C(F)CCC1NS(=O)(=O)c1ccccc1[N+](=O)[O-] | [O][=C][Branch1][C][O][C][O][C][C][C][C][C][C][Branch1][C][F][C][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
N=C1SC(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N1c1ncc([N+](=O)[O-])s1 | [N][=C][S][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2] |
COc1ccc(S(=O)(=O)NCC(c2ccco2)S(=O)(=O)c2cccs2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C] |
Cc1cccc(C2CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | [C][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][=N] |
N#CCN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21 | [N][#C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][C][=C][Branch1][C][Cl][S][C][=Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] |
CN1CCC(N2C(=O)CN=C(c3ccccc3)c3ccccc32)CC1 | [C][N][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2] |
CCN(CC)CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3 | [C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][=C][Branch1][=Branch2][C][C][C][Ring1][#Branch2][Ring1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][C] |
Cc1csc(N=CN(C)C)c1C#N | [C][C][=C][S][C][Branch1][Branch2][N][=C][N][Branch1][C][C][C][=C][Ring1][#Branch2][C][#N] |
CCN(CC)C(=O)N1CCN(c2ccc3[nH]c(NC(=O)OC)nc3c2)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1][=C][C][C][Ring2][Ring1][Ring2] |
N#CC(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(O)c1ccc(Oc2ccc(Cl)cc2)cc1 | [N][#C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Branch1][C][O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
COc1cncc(N2CCN(Cc3ccncc3Cl)CC2)n1 | [C][O][C][=C][N][=C][C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C][=N][Ring2][Ring1][Ring2] |
NCc1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12 | [N][C][C][=C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring1][Ring1][O] |
O=C(NN=Cc1ccccc1F)C(=O)N1CCCCCC1 | [O][=C][Branch1][=N][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] |
CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C(CC(OC(C)=O)C3=CCOC3=O)C(O)(CO)CCC12 | [C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C][Branch1][C][C][C][Branch2][Ring1][Ring1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][O][C][Ring1][Branch1][=O][C][Branch1][C][O][Branch1][Ring1][C][O][C][C][C][Ring2][Ring1][#C][Ring2][Ring1][=Branch1] |
[N-]=[N+]=NCC1CCCCC1 | [N-1][=N+1][=N][C][C][C][C][C][C][C][Ring1][=Branch1] |
C=C1C(=O)CC2CC3(C)CCC(C)(C)C3C12O | [C][=C][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][Ring1][#C][Ring1][O][O] |
O=C(O)c1ccc(C(=O)C(F)(F)F)cc1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N] |
CCCN(CCC)C(=O)c1cccc(C(=O)NC(CCNC(C)C)Cc2ccccc2)c1 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] |
CC1(C)CC2=C(O1)C(=NNc1ccccc1)c1ccccc1C2=O | [C][C][Branch1][C][C][C][C][=C][Branch1][Ring2][O][Ring1][=Branch1][C][=Branch1][O][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] |
O=C(NCC(c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][C] |
COc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Branch1] |
CN(C)C(=O)C1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring2][Branch2][N][C][=C][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][#C][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][N] |
COc1ccc(-c2cnc(Nc3ccccc3)c3cncn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][Ring1][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] |
Cc1ccc(COc2cc(F)c3nc(C4C(C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1 | [C][C][=C][C][=C][Branch2][Branch1][Branch1][C][O][C][=C][C][Branch1][C][F][=C][N][=C][Branch1][P][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#Branch2][N][=C][Ring2][Ring2][C] |
O=C(O)CCC1CC(=O)N(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccccc21 | [O][=C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][S] |
O=S(=O)(Nc1ccc2c(C=Cc3cc(Cl)c4ccccc4n3)cccc2c1)C(F)(F)F | [O][=S][=Branch1][C][=O][Branch2][Ring2][Branch2][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][=C][C][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CCNC(=O)N(CC)CC1NC(Cc2ccccc2)(C(=O)OC)C2C(=O)N(C)C(=O)C12 | [C][C][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][Ring1][Branch2] |
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][#C] |
CCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O | [C][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CCC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][O][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring1][=N][C][C][Ring2][Ring1][=Branch1] |
CN(C(=O)C(CC1CCCCC1)NC(=O)CCCN)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O | [C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CC(C)(C)N=c1cccccc1O | [C][C][Branch1][C][C][Branch1][C][C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch1][O] |
CN1CCc2cc3c(c4c2C1Cc1cc(O)ccc1-4)OCO3 | [C][N][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O][O][C][O][Ring1][S] |
CN(CC1=CCC2CC1C2(C)C)Cc1ccc2c3ccccc3n(C)c2c1 | [C][N][Branch1][P][C][C][=C][C][C][C][C][Ring1][=Branch1][C][Ring1][Ring2][Branch1][C][C][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][=C] |
COc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][O][C] |
Cc1ccc(C=C2CCC(=Cc3ccc(C)cc3)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][C][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1] |
CCc1ccc(C(OCCc2ccc(OC)cc2)(c2ccc(CC)cc2)C(Oc2nc(C)cc(OC)n2)C(=O)O)cc1 | [C][C][C][=C][C][=C][Branch2][Branch1][=Branch2][C][Branch1][S][O][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][C][Branch1][P][O][C][=N][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][Branch2] |
C=CC(C)(C)OC1OC(CO)C(O)C(O)C1O | [C][=C][C][Branch1][C][C][Branch1][C][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O] |
O=C(O)C=Cc1ccc(C(=C(c2ccccc2)C2CCC2)c2ccc3[nH]ncc3c2)cc1 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][Ring2][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][O] |
O=C(CCS(=O)(=O)c1cccc2nonc12)N1CC(=O)N(CCc2ccccc2)C(=O)C1 | [O][=C][Branch2][Ring1][#Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][S] |
Clc1ccc(Cl)c(-c2c[nH]nn2)c1 | [Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][Ring1][N] |
O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 | [O][=C][Branch1][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][N][C][N][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][S][Ring1][=N][C][=C][Ring2][Ring1][#C] |
CCCn1c(N)c(C(=O)CSc2nc(C)cs2)c(=O)n(C)c1=O | [C][C][C][N][C][Branch1][C][N][=C][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] |
CC(CC(=O)Nc1cccc(C)c1C)=NNC(N)=S | [C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=N][N][C][Branch1][C][N][=S] |
CC(O)(CSc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 | [C][C][Branch1][C][O][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N] |
N#CC(=Cc1c[nH]cn1)S(=O)(=O)c1cccs1 | [N][#C][C][=Branch1][=Branch2][=C][C][=C][NH1][C][=N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] |
CC(=O)OC12COC3C=C(C)CCC3(C)C1(C)CC(O)C2 | [C][C][=Branch1][C][=O][O][C][C][O][C][C][=C][Branch1][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][P] |
Cc1ccc(-n2cc(CN3CCC(CO)(Cc4cccc(C(F)(F)F)c4)CC3)cn2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][S][N][C][=C][Branch2][Ring2][Branch1][C][N][C][C][C][Branch1][Ring1][C][O][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CN(C)CCc1cccc2[nH]c(-c3nc(Cc4ccc(Cl)cc4)no3)cc12 | [C][N][Branch1][C][C][C][C][C][=C][C][=C][C][NH1][C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][=N][=C][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] |
COc1ccccc1N1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][NH1][Ring1][#C][C][C][Ring2][Ring1][Branch1] |
CN(C)Cc1cc(C=CC(=O)C=C(O)C=Cc2cccc(O)c2)ccc1O | [C][N][Branch1][C][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][=Branch1][O] |
CC(C)CC(NC(=O)C(C)NC(=O)OCc1ccccc1)C(=O)C=O | [C][C][Branch1][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=O] |
COc1cccc(-c2ccc(O)c(CNC3CCN(Cc4ccccc4)CC3)c2)n1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][N] |
Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl] |
CC(C)c1cccc(C(C)C)c1NC(=O)NCC(NC(=O)c1ccc2ccccc2[n+]1[O-])c1ccccc1 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N+1][Ring1][#Branch2][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCOC(=O)N1CCC(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] |
Cc1cn(CN(CCOC(=O)C(C)(C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O | [C][C][=C][N][Branch2][Ring2][Branch2][C][N][Branch1][S][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][=C][=O] |
COc1ccc(C)cc1NC(=O)Nc1cccc(C(=O)O)c1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2] |
NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][O][=O] |
O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccno1 | [O][=C][Branch2][Ring1][O][N][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1] |
O=C1NCCN1CCc1ccccc1 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
c1ccc(Oc2ccc(-c3ccnc4nc(N5CCN(c6ccccc6)CC5)nn34)cc2)cc1 | [C][=C][C][=C][Branch2][Ring2][P][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][N][Ring2][Ring1][Branch1][Ring1][P][C][=C][Ring2][Ring1][O][C][=C][Ring2][Ring2][C] |
CC(C)Nc1ccc(Cl)cc1[N+](=O)[O-] | [C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1] |
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