SMILE
stringlengths 1
100
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stringlengths 3
558
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|---|---|
CCOC(=O)C1=NN(N=O)C2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][Ring1][N][=O][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][=C][=O][C][Ring2][Ring1][Branch1] |
CCC(CC)C(=O)Nc1ccc(OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=C][C][=Branch1][C][=O][N][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] |
CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)cc2)cc1[N+](=O)[O-] | [C][N][Branch1][C][C][C][C][C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
COc1ccccc1CNC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 | [C][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][Branch1] |
CCOc1ccccc1NC(=O)C1CCCCN1S(=O)(=O)c1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCOC(=O)C(=CNc1ccc(N(C2=NCC(C)S2)c2ccc(F)c(Cl)c2)cc1)C(=O)OCC | [C][C][O][C][=Branch1][C][=O][C][=Branch2][Ring2][#Branch2][=C][N][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][O][C][=N][C][C][Branch1][C][C][S][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C] |
COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CNCCc4ccccn4)n3c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Branch1][Branch2][C][=C][Branch1][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][=N][C][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][Ring2][Ring1][S][=O][=C][Ring2][Ring2][#Branch1] |
O=C(O)COc1ccc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][S][C][=Branch1][C][=S][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1] |
CC(C=CC(=O)O)=CCOc1ccc(C(C)C)cc1 | [C][C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][=C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
O=CC1=C(Sc2ccccc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 | [O][=C][C][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][N][=C][N][Branch1][S][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][C][C][C][C][C][Ring1][=N] |
O=S(=O)(CCCN(CCO)CCO)NCCNc1cccc2ccccc12 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][C][N][Branch1][Ring2][C][C][O][C][C][O][N][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
O=C(OCCCc1cccnc1)C1CCCN1S(=O)(=O)Cc1ccccc1 | [O][=C][Branch1][=N][O][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3cc(Cl)ccc3OC)cc21 | [C][C][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][=N] |
CCC(=O)N1CCN(c2ccc(Nc3c(C(N)=O)cnc4ccc(-c5ccc(N)nc5)cc34)cc2C(F)(F)F)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][=Branch2][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][=N][C][=C][Ring2][Ring1][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring2][Branch1] |
O=C(NCCc1ccccc1)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][NH1][Ring1][Branch2] |
Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(F)c3)CC2)o1 | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=N][O][Ring2][Ring1][#Branch2] |
COc1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring2][O][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][S][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][C] |
COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5cc(C)ccc5C)cn4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=N][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=C][N][=C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][C][O][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CCC(C)NC(=O)c1cc2c(=O)n3ccccc3nc2s1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][S][Ring1][=C] |
CC(C)OC(=O)C1CC=CCC1C(=O)Nc1ccc(Cl)cc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
O=C(O)CC(NC(=O)c1cccc(-c2ccccc2F)n1)c1ccc(C(F)(F)F)cc1 | [O][=C][Branch1][C][O][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CC(C)CS(=O)(=O)N1CC(Nc2ncccc2-c2cnc3[nH]ccc3n2)CC(C(F)(F)F)C1 | [C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=N][Ring1][=Branch2][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][#Branch2] |
C=C1C2CCC(NCC)(C2)C1(C)C | [C][=C][C][C][C][C][Branch1][Ring2][N][C][C][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][#Branch2][Branch1][C][C][C] |
NC(=O)C1CCN(C(=O)NCc2ccccc2Cn2ccnc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring2][Ring1][=Branch1] |
O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCc3cccc(Br)c3O2)CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][Branch1][P][C][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][O][Ring1][O][C][C][Ring1][S] |
CCN=C(S)Nc1ccc(Cc2ccncc2)cc1 | [C][C][N][=C][Branch1][C][S][N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
O=c1[nH]c2ccccc2cc1C=Nc1ccc(O)cc1 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CCCCC1CS(=O)(=O)c1ccc(SC)cc1 | [C][C][N][Branch1][Ring1][C][C][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][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] |
O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)C=Cc3ccccc3)c1)C2=O | [O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][Ring2][Ring1][#Branch1][=O] |
CC=Cc1ccc(C2C(CO)N(CC3CCCC3)C2CNC(=O)NC(C)C)cc1 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][P][C][C][Branch1][Ring1][C][O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][N][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2] |
COCCCn1cnnc1CNC(=O)c1[nH]c2c(C)cc(C)cc2c1C | [C][O][C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][NH1][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Ring1][O][C] |
CN1CCN(c2cc(CNC(=O)c3ccc(=O)[nH]n3)ccn2)CC1 | [C][N][C][C][N][Branch2][Ring1][=N][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][N][=Ring1][#Branch1][=C][C][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1] |
COc1ccc(Cc2nc3c(ncn3C(CCCc3ccccc3)C(C)=O)c(=O)[nH]2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][=N][C][=C][Branch2][Ring1][=Branch2][N][=C][N][Ring1][Branch1][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][O][C] |
CCC1CCC2C3CCc4cc(OC(C)=O)ccc4C3(O)C(O[N+](=O)[O-])CC12C | [C][C][C][C][C][C][C][C][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][C][Ring1][=C][Branch1][C][O][C][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1][C] |
O=C1C(=O)c2cccc3c2C(=C1Cl)OCC3(O)c1ccc(F)cc1 | [O][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][Branch1][=C][Ring1][O][Cl][O][C][C][Ring1][Branch2][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
Cc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][O][C][C][O][Ring1][O][C][=C][Ring2][Ring1][#C] |
Cc1cc(-c2nnco2)c(C)n1-c1ccccc1 | [C][C][=C][C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][=C][Branch1][C][C][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)C(CN(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 | [C][C][Branch1][C][C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
C1CCC(NC(=NCCCNCCN=C(NC2CCCCC2)NC2CCCCC2)NC2CCCCC2)CC1 | [C][C][C][C][Branch2][Ring2][N][N][C][=Branch2][Ring1][=C][=N][C][C][C][N][C][C][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring2][=Branch1] |
CCNCCCCNCCCCNCCCCNCCCCNCC=C(CS)CNCCCCNCCCCNCCCCNCCCCNCC | [C][C][N][C][C][C][C][N][C][C][C][C][N][C][C][C][C][N][C][C][C][C][N][C][C][=C][Branch1][Ring1][C][S][C][N][C][C][C][C][N][C][C][C][C][N][C][C][C][C][N][C][C][C][C][N][C][C] |
CC(=O)N1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)NCCc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][C][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][O][C][O][Ring1][#Branch2][C][C][Ring2][Ring2][=Branch1] |
CCCCOc1ccc(C(=O)n2c(C)c(C(=O)O)c3cc(OC)ccc32)cc1 | [C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] |
O=C(Nc1ccc(Cl)cc1)c1cccs1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] |
O=C1SC(=Cc2ccccn2)C(=O)N1Cc1ccccc1F | [O][=C][S][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
Cc1ccc2oc(-c3ccc(C(C)C)cc3)c(O)c(=O)c2c1 | [C][C][=C][C][=C][O][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Branch1][C][O][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3CC2C)C1=O | [C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch2][=O] |
CC(Sc1nncs1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F | [C][C][Branch1][=Branch2][S][C][=N][N][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] |
CCOC(=O)CC(NC(=O)c1ccc(N=NN(C)C)cc1)C(=O)OCC | [C][C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][=N][N][Branch1][C][C][C][C][=C][Ring1][O][C][=Branch1][C][=O][O][C][C] |
NNC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O | [N][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][Ring1][#C][=O] |
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ncc(Cl)cc1Cl | [O][=C][Branch2][Ring1][S][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
COCc1cccc(-c2nc(N3CCOCC3)nc3c(N(C)C)cc(C(=O)O)nc23)c1 | [C][O][C][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring2][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][N] |
O=C(O)c1nc2c(O)nc3c([N+](=O)[O-])cc(Cl)cc3n2n1 | [O][=C][Branch1][C][O][C][N][=C][C][Branch1][C][O][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][N][Ring1][#C][N][=Ring2][Ring1][C] |
CC1CCC(O)C(C)(C)C12Cc1cc(C(=O)O)cc(C(=O)O)c1O2 | [C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N][O][Ring1][#C] |
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2ccc(OC)cc2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][=N] |
CCCN1CCN(C(S)=Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)CC1 | [C][C][C][N][C][C][N][Branch2][Ring2][=Branch1][C][Branch1][C][S][=N][C][=C][C][=C][N][=C][Branch1][=N][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=C][Branch1][C][C][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][N] |
CC(=O)N1CCc2ccc(N(C(=O)C=Cc3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=N][Ring2][Ring1][S] |
NC1=C2C(=O)C(C=Cc3ccccc3)=C(S(=O)(=O)O)C=C2C=C(S(=O)(=O)O)C1=NNc1ccc([N+](=O)[O-])cc1 | [N][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Ring2][Ring1][O][=N][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
O=C(c1ccccc1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Branch2][C][=N][C][=N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][S][C][Ring1][#C][=Ring1][O][C][C][Ring2][Ring1][Branch1] |
CCCOc1ccc(Oc2ccc(O)cc2)cc1 | [C][C][C][O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
CCOc1ccc(N=Cc2ccc3ccccc3c2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][N][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
O=C(C=Cc1cccc(C(F)(F)F)c1)CCN1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
O=C(c1ccc2[nH]ccc2c1)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 | [O][=C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1] |
CCCCC(Cc1cccnc1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 | [C][C][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Branch1][#Branch1][C][=Branch1][C][=O][N][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
COc1ccc2c3c1OC1CC(O)C=CC31CCN(C(=O)CN1CCOCC1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Branch1][C][O][C][=C][C][Ring1][#Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch2] |
CC(O)c1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3C3CCC(N)C(F)CO3)ccc2F)c(F)c1 | [C][C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][Branch2][Ring2][N][C][=N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][C][Branch1][C][N][C][Branch1][C][F][C][O][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Branch2][F][C][Branch1][C][F][=C][Ring2][Ring1][P] |
OC(=NN1CCCCC1)c1cnc(C2CC2)c(OCC2CC2)n1 | [O][C][=Branch1][#Branch2][=N][N][C][C][C][C][C][Ring1][=Branch1][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=N][Ring1][=C] |
O=C1CCC(=O)N1c1cccc(OCc2nc3ccccc3s2)c1 | [O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][P] |
CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] |
O=C(O)C1CCCN(C(=O)C=Cc2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)C1 | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Ring2][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring1][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#C] |
CN1CCN(C(=S)SCC(O)CN(C)CCC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 | [C][N][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=S][S][C][C][Branch1][C][O][C][N][Branch1][C][C][C][C][C][Branch2][Ring1][Ring2][O][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][C][C][Ring2][Ring2][Ring1] |
Cc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccccc4)n(CC(C)C)c3C)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring2][#C][N][C][C][N][Branch2][Ring2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Ring1][#C][C][C][C][Ring2][Ring1][N][=C][Ring2][Ring2][C][C] |
CC(C)c1cc(C(=O)Nc2ccccc2)c(O)c(O)c1O | [C][C][Branch1][C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][P][O] |
Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOCC5C)cc4n3Cc3ccccn3)cn12 | [C][C][=N][N][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch2][Ring2][C][C][=N][C][=C][N][=C][Branch1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][Ring1][=N][N][Ring1][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][N][Ring2][Ring2][Ring2][Ring2][Ring1][P] |
COc1ccc2c(ccn2Cc2cnc3nc(N)nc(N)c3c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=C][N][Ring1][Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CSC12)c1csc(N)n1 | [C][O][N][=C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][C][C][S][C][=N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][N][Ring1][Branch2][C][C][S][C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1] |
COc1ccc(-c2nc3c(s2)CCc2onc(-c4ccc(Br)cc4)c2-3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][N][Ring1][P][C][=C][Ring2][Ring1][=Branch2] |
CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC1=O | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Ring2][=Branch1][=O] |
Oc1ccc2c(c1)C1CCCC1C(c1ccccc1)O2 | [O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S] |
CC1CCC(C2=CCC(N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)S1 | [C][C][C][C][C][Branch2][Ring2][N][C][=C][C][C][Branch2][Ring1][S][N][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][=C] |
Clc1cc(Cl)cc(-n2cc(Cn3cnc4ccccc43)nn2)c1 | [Cl][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][Branch2][N][C][=C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][=N][Ring1][#C][=C][Ring2][Ring1][=Branch1] |
Cc1c(CCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 | [C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][O][C][=C][Branch1][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][=C][Ring1][#Branch2][C][C][C][C][Ring1][=Branch2] |
O=C(COc1ccc(OCC(=O)N2C(=O)CN(c3ccc(Cl)cc3)C2=S)cc1)N1C(=O)CN(c2ccc(Cl)cc2)C1=S | [O][=C][Branch2][Ring2][=N][C][O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=S][C][=C][Ring2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=S] |
Cc1ncnc(-c2ccc(Cl)c(C(=O)N3CCCCC3)c2)c1C#Cc1ccc(N)nc1 | [C][C][=N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][=C][Ring2][Ring1][Branch1][C][#C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1] |
COc1ccc2oc3cc(NCCN(C)C)ccc3c(=O)c2c1 | [C][O][C][=C][C][=C][O][C][=C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][=C][C][=C][Ring1][N][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
C#CCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 | [C][#C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][#C] |
CC(C)(C)OC(=O)N1C2CCC1CC(Nc1ncnc(Oc3ccccc3Cl)c1[N+](=O)[O-])C2 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][O][N][C][=N][C][=N][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][=Branch2] |
O=C1CCC2(CCNCC2)CN1Cc1nnc2ccccn12 | [O][=C][C][C][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][C][N][Ring1][O][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1] |
Nc1ncnc2c1ncn2C1OC(CNS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O] |
COC(=O)c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][Ring1][C][O][=C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
COc1ccc2nnc3c(C)nc(-c4sc(C)nc4C)n3c2n1 | [C][O][C][=C][C][=C][N][=N][C][=C][Branch1][C][C][N][=C][Branch1][N][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][N][Ring1][=N][C][Ring1][P][=N][Ring2][Ring1][Branch1] |
Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ncccn3)cc2)c2c1C(=O)c1ccccc1C2=O | [N][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] |
COC(=O)C(Cc1c[nH]c2ccccc12)N(C)C | [C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][C][C][C] |
CNNCc1ccc(C=NNC(N)=S)cc1 | [C][N][N][C][C][=C][C][=C][Branch1][=Branch2][C][=N][N][C][Branch1][C][N][=S][C][=C][Ring1][N] |
CCC(C)c1cc(-c2[nH]ncc2-c2ccccc2)c(O)cc1OC | [C][C][C][Branch1][C][C][C][=C][C][Branch1][S][C][NH1][N][=C][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][O][C] |
COc1nc(NC(=O)NS(=O)(=O)c2ccoc2COCCF)nc(OC)n1 | [C][O][C][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][O][C][C][F][=N][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][=Branch2] |
NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1Nc1ccccc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Nc1nc2ncccn2c1-c1ccc(C(F)(F)F)cc1 | [N][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CCc1nc2ccccc2n1CCOc1ccccc1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
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