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stringlengths 1
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stringlengths 3
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COc1ccc(-c2c3cc(OC)c(OC)cc3cc3c2nc(N)n3C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=C][C][=C][Ring1][=C][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch2] |
COc1ccccc1NC(=O)c1n[nH]c(=O)c2ccccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCN=C(N)N)CC2)c(C(C)C)c1 | [C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Branch1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][N][=C][Branch1][C][N][N][C][C][Ring1][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring2][O] |
Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
CCn1ncc2c1CCCC2NCc1csc(COC)n1 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][=C][S][C][Branch1][Ring2][C][O][C][=N][Ring1][Branch2] |
NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2] |
CC(C)c1cc(Nc2cc(OC3CCCN(C)C3)nc(NCc3cc(-c4ccccc4)no3)n2)n[nH]1 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][#C][N][C][=C][C][Branch1][=N][O][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=N][Ring2][Ring1][O][=N][NH1][Ring2][Ring1][P] |
CCCS(=O)(=O)Nc1ccc(C)c(Nc2ncnc3cnc(N4CCN(C)CC4)nc23)c1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=N][N][C][=N][C][=N][C][=C][N][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][P][Ring1][=N][=C][Ring2][Ring1][=Branch2] |
CCS(=O)(=O)CCN(C(=O)Cc1ccc(C(F)(F)F)c(F)c1)C(C)c1nc2ncccc2c(=O)n1-c1ccc(C#N)cc1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O][C][Branch1][C][C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCCCC2)CC1 | [C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P] |
O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cc[n+]([O-])cc1 | [O][=C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=N+1][Branch1][C][O-1][C][=C][Ring1][#Branch1] |
COc1ccc(C=CC(=O)c2cc3c(cc2OC)OCS3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][O][C][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1][O][C] |
CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CNC(=O)c3cc(O)c(O)cc3Br)CSC12)c1csc(N)n1 | [C][C][O][N][=C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][Br][C][S][C][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1] |
O=[N+]([O-])c1ccc(-c2nnc(N3CCSCC3)s2)s1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][N][C][C][S][C][C][Ring1][=Branch1][S][Ring1][O][S][Ring1][S] |
O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)N1CCN(c2cccc(Cl)c2)CC1 | [O][=C][Branch2][Ring1][O][C][N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N] |
COc1ccc([N+](=O)[O-])cc1NC(=O)C1C2C=CC(C2)C1C(=O)O | [C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CCOC(=O)c1ccc(NC(S)=NN2CCN(C)CC2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][Branch1][C][S][=N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] |
FC1(F)CCN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCOCC3)n2)C1 | [F][C][Branch1][C][F][C][C][N][Branch2][Ring2][#Branch2][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][=C][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=N] |
CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2cc3ccccc3s2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch2][Branch1][=Branch2][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][O][=C][Ring2][Ring2][=N][O] |
CCNC(=Nc1ccc(OCC)cc1)SC(C)C | [C][C][N][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][S][C][Branch1][C][C][C] |
Cc1cc(-c2cccc3cc[nH]c23)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 | [C][C][=C][C][Branch1][=C][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=N][N][=C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][P][N][=C][Ring2][Ring2][Branch1][Ring2][Ring1][Branch2] |
COc1ccc(-c2nc3nc(C)c(Cc4ccccc4)c(O)n3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][N][=C][N][=C][Branch1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][N][Ring1][#C][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CNC(=O)C1CC2CN(S(=O)(=O)Cc3ccccc3)CC2N1C | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][N][Ring2][Ring1][C][C] |
Cc1ccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][O][N+1][=Branch1][C][=O][O-1] |
NC(C(=O)N1CC(F)C(F)C1)C1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 | [N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][Branch1][C][F][C][Ring1][#Branch1][C][C][C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Ring2][Ring1][Branch1] |
CC1=NN(c2ccccc2)C(=O)C1=NNc1nncs1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=N][N][C][=N][N][=C][S][Ring1][Branch1] |
Cc1cccc(Cl)c1CNC(=O)Nc1ccsc1-c1nc(O)c(O)c(C(=O)O)n1 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=N][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][O] |
COc1cc(C=NNC(=O)CSc2nnc(O)nc2O)cc(OC)c1O | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=N][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O] |
CC(=O)N(OC(=O)c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 | [C][C][=Branch1][C][=O][N][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
COc1ccc(NCCNc2cc(C)nc3c2ccc2ccccc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][C][N][C][=C][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch2][O][C] |
CC1(C)C(=O)CCC1C1CCc2cc(O)ccc2C1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][O] |
CNC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][N][=C][C][=C][Ring2][Ring1][C][NH1][Ring2][Ring1][Branch1] |
CCc1cccc(N=C(O)c2cccc(N3CCc4c(cnc5ccccc45)C3)c2)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][C][=C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=N] |
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(N2CCCCC2)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][S] |
COc1ccc(N(C(=O)NCC2CCC(COCC(=O)O)CC2)c2ccccc2)c(C)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=Branch2][C][O][C][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=C] |
N#CC(C#N)=C(SCc1nnc(-c2ccc(Cl)cc2)o1)SCc1nnc(-c2ccc(Cl)cc2)o1 | [N][#C][C][Branch1][Ring1][C][#N][=C][Branch2][Ring1][#Branch1][S][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][S][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N] |
O=C(C(Cc1ccc(O)cc1)n1cc(CCO)nn1)N1CCNCC1 | [O][=C][Branch2][Ring1][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][Branch1][Ring2][C][C][O][N][=N][Ring1][Branch2][N][C][C][N][C][C][Ring1][=Branch1] |
Fc1ccc(CCn2ccnc2)cc1 | [F][C][=C][C][=C][Branch1][#Branch2][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=N] |
O=C1CCc2ccc(NC(=O)NC3CCC(c4ccccc4)C3)cc2N1 | [O][=C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Branch1][N][Ring2][Ring1][=Branch2] |
CC1(C)Oc2ccc(-c3nc(-c4cccc5c(CCC(=O)O)c[nH]c45)no3)cc2O1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][NH1][C][Ring1][=C][=Ring1][#Branch2][=N][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O][Ring2][Ring1][=N] |
C[N+]1([O-])CC=C(c2ccccc2)CC1 | [C][N+1][Branch1][C][O-1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
Cc1nc2sc(C(=O)NC3CCOCC3)c(N)c2c(C)c1Cl | [C][C][=N][C][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][N][C][=Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Cl] |
COc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | [C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][C][N][=C][Ring2][Ring1][=Branch1][Ring1][=N] |
Cc1cc(NCCc2nnc(N)s2)nc(-c2ccccc2)n1 | [C][C][=C][C][Branch1][=C][N][C][C][C][=N][N][=C][Branch1][C][N][S][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] |
CC(C)C12OC1C13OC1CC1C4=C(CCC1(C)C31OC1C2=O)C(=O)OC4 | [C][C][Branch1][C][C][C][O][C][Ring1][Ring1][C][O][C][Ring1][Ring1][C][C][C][=C][Branch2][Ring1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Ring1][N][O][C][Ring1][Ring1][C][Ring2][Ring1][C][=O][C][=Branch1][C][=O][O][C][Ring1][#C] |
Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 | [C][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring1] |
C#CCOC(=O)Nc1cc(C)n(-c2ccccc2)n1 | [C][#C][C][O][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N] |
C=CCN1CCC2Cc3c(O)cccc3CC21 | [C][=C][C][N][C][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C][Ring1][O][Ring1][=C] |
CCOC(=O)c1sc(N)c(C(=O)Nc2ccc(C)cc2C)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Ring1][P][C] |
Cc1cc(-c2cc(C(=O)NC3CCCC3)on2)nc(NCC2CC2)n1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][O][N][=Ring1][=N][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch2] |
Cc1oc(-c2cccs2)nc1CN1CCN(C(C)C)C(CCO)C1 | [C][C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][Ring2][C][C][O][C][Ring1][N] |
COc1cc(C2(O)CCN(CC(N)=O)CC2O)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][Ring1][O][O][=C][C][=C][Ring2][Ring1][C][N][C][N][=C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][Ring1][P][N][=Ring2][Ring1][Branch1] |
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)NCc1ccc(OC)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
COc1cccc(-n2c(=O)n(CC(N)c3ccccc3)c(=O)n(C(C)c3c(F)cccc3F)c2=O)c1F | [C][O][C][=C][C][=C][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=C][C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][P][C][Branch1][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][O][=O][=C][Ring2][Ring2][C][F] |
COC(=O)c1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1] |
Cc1nccc2c3ccc(OCC4CCCCC4)cc3n(CC3CCCCC3)c12 | [C][C][=N][C][=C][C][C][=C][C][=C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][N][=Ring2][Ring1][Branch2] |
Cc1ccccc1NC1=NN=Cc2cc3ccc(Cl)c(C)c3nc2S1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][N][=C][Ring1][N][S][Ring1][P] |
COc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3OC)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] |
CCC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(=O)CC)C(=O)CC | [C][C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C] |
CC(=O)OC(OC(C)=O)c1ccc2c(c1)COP(=O)(OCC1C=CC(n3cc(C)c(=O)[nH]c3=O)O1)O2 | [C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][P][=Branch1][C][=O][Branch2][Ring1][O][O][C][C][C][=C][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][Ring1][=C][O][Ring2][Ring1][Branch2] |
CCCN=C(S)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 | [C][C][C][N][=C][Branch1][C][S][N][C][C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] |
CCC1SC(=NN=Cc2ccco2)N(c2ccc(F)cc2)C1=O | [C][C][C][S][C][=Branch1][O][=N][N][=C][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2][=O] |
O=Cc1ccc(C=CC(=O)c2ccccc2Cl)cc1 | [O][=C][C][=C][C][=C][Branch1][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P] |
CCCCCCC#Cc1cn(CC=CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O | [C][C][C][C][C][C][C][#C][C][=C][N][Branch2][Ring1][=Branch1][C][C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][=Branch1][=O] |
Cc1nc2c(cc1-c1ccncc1)n(C)c(=O)n2C | [C][C][=N][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#C][C] |
CC(C)c1nc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)cs1 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][O][N][=Ring1][#C][=C][S][Ring2][Ring1][Branch2] |
O=C(Nc1ccnn1C1CCNCC1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][P][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CN1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 | [C][N][C][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] |
COc1ccc(S(=O)(=O)N(C)CC2OCc3cn(nn3)CCCC(=O)N(C(C)CO)CC2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][C][=C][N][Branch1][Branch1][N][=N][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][Branch1][C][C][C][O][C][C][Ring2][Ring1][Ring2][C][C][=C][Ring2][Ring1][P] |
COc1cc(N2Cc3ccc(-c4ccc(C(C)C)cc4)nc3C2=O)ccc1OCCN1CCCC1 | [C][O][C][=C][C][Branch2][Ring1][P][N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][=C][Ring1][#C][C][Ring2][Ring1][C][=O][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][N][C][C][C][C][Ring1][Branch1] |
C(=Cc1ccccc1)CN1CCN(C(c2cccs2)c2nnnn2C2CCCC2)CC1 | [C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch2][Ring1][=Branch2][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][=Branch1] |
COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O] |
COC(=O)C1=COC(O)C2C1C(O)C(O)C2(C)O | [C][O][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch1][Branch1][C][C][O] |
Cc1cc(C=C2SC(=S)N(Cc3ccc(C(F)(F)F)cc3)C2=O)c(C)n1-c1ccc(O)c(C(=O)O)c1 | [C][C][=C][C][Branch2][Ring2][Ring1][C][=C][S][C][=Branch1][C][=S][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][P][=O][=C][Branch1][C][C][N][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2] |
O=S(=O)(Nc1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1)c1cc(F)c(F)c(F)c1 | [O][=S][=Branch1][C][=O][Branch2][Ring2][#Branch1][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2] |
Oc1ccc2ccc(-c3ccccc3)cc2c1 | [O][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][N][=C][Ring1][S] |
COC1OC(C)(C2CC(C)=C(C)C(=O)O2)C2CCC3C4CC=C5C(O)C=CC(=O)C5(C)C4CCC132 | [C][O][C][O][C][Branch1][C][C][Branch2][Ring1][C][C][C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch2][C][C][C][C][C][C][C][=C][C][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][Ring1][Branch2][Branch1][C][C][C][Ring1][=N][C][C][C][Ring2][Ring1][P][Ring1][P][Ring2][Ring1][Ring2] |
Fc1ccc(CCNC2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 | [F][C][=C][C][=C][Branch2][Ring2][C][C][C][N][C][C][C][C][Branch2][Ring1][Ring1][C][N][=N][N][C][=N][C][NH1][C][=C][C][=Ring1][Branch1][C][=Ring1][N][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O] |
O=C(CCOCCN1CCN(c2ncccc2-c2ccc(F)cc2)CC1)NCc1ccc(C(F)(F)F)cc1 | [O][=C][Branch2][Ring2][Branch1][C][C][O][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
Cc1ccc(-c2cc3ncc(CCCO)cn3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][N][=C][C][Branch1][Branch1][C][C][C][O][=C][N][Ring1][#Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
O=C(CN(CC1CCC1)CC(F)(F)F)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][O][C][C][Ring1][=Branch1] |
CC1(C)C(=N)NC2(c3cc(NC(=O)c4ccc(C(F)(F)F)cn4)ccc3F)COCC2S1(=O)=O | [C][C][Branch1][C][C][C][=Branch1][C][=N][N][C][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][F][C][O][C][C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][#C][=Branch1][C][=O][=O] |
O=C(N=c1cc(-c2cccc(OC(F)(F)F)c2)n(C2CCOCC2)[nH]1)C1CN=C(O)C1 | [O][=C][Branch2][Ring2][#Branch2][N][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][=Branch1] |
Clc1ccc(NN=Cc2c[nH]c3ccccc23)cc1 | [Cl][C][=C][C][=C][Branch1][P][N][N][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CCC1=NC(C(C)=O)(c2ccccc2)c2ccccc2CN1C | [C][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][Ring2][C] |
CN(Cc1ccccc1F)C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 | [C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N] |
CC(C)Cc1ccc(C(C)c2nc3ccccc3n2C(=O)c2cccc(Cl)c2)cc1 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][P][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2] |
CCN(C(=O)COC(=O)c1cc(O)nc2ccccc12)C1CCS(=O)(=O)C1 | [C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] |
CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O | [C][N][C][C][Branch2][Ring1][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][Ring2][=O] |
CC1(C)CCC(NC(=O)C(N)CCC(=O)O)CC1 | [C][C][Branch1][C][C][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][C][Ring1][P] |
CC(=O)c1cccc(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][#C][=C][Ring2][Ring1][=N] |
COc1c(-c2ccccc2C)sc2ccccc12 | [C][O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] |
NCC1OC(OC(CNCCc2ccc(Cl)cc2)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)C(O)C1O | [N][C][C][O][C][Branch2][Ring2][N][O][C][Branch1][S][C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Branch1][C][O][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][Ring1][=C][C][Branch1][C][O][C][Ring2][Ring1][P][O] |
CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2ccccc2[N+](=O)[O-])cc1 | [C][C][C][C][=N][C][=C][Branch1][C][C][C][=C][N][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Ring2] |
Clc1ccc(-c2cc(COc3ccccc3)no2)cc1Cl | [Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][Cl] |
COP(=O)(CC(=O)OC1CC(n2cc(CCCl)c(=O)[nH]c2=O)OC1CO)OC | [C][O][P][=Branch1][C][=O][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][O][C][C][C][Branch2][Ring1][C][N][C][=C][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][NH1][C][Ring1][#Branch2][=O][O][C][Ring1][S][C][O][O][C] |
CC12CCC(OC3OC(CN)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O | [C][C][C][C][C][Branch1][P][O][C][O][C][Branch1][Ring1][C][N][C][Branch1][C][O][C][Ring1][Branch2][O][C][C][Ring1][S][C][C][C][C][Ring2][Ring1][Ring2][C][C][C][Branch1][C][C][C][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][Ring1][S][Ring1][N][O] |
COc1ccc(NC(=O)c2ccc3oc(=O)c(S(=O)(=O)c4ccc(C)cc4)cc3c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C][O][C] |
CCCCCCCCN1C(=O)C(CC(=O)NCc2ccccc2)CC2(C(=O)OCC)CCCC=C12 | [C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][C][=C][Ring2][Ring1][O][Ring1][O] |
Cc1ccc(C=CC(=O)Nc2cc(=O)n(C)c(=O)n2C)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][Ring2][Ring1][Ring2] |
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