ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
26728 | COc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | c14cccc7c1.n17nnnc18.C16CCCC1.C5C3=O.CO4.S58.N36 |
26729 | CNC(=O)CSc1nnnn1-c1cccc(OC)c1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c15cccc3c1.c16nnnn15.C2(=O)C4.CN2.S46.O3C |
26730 | CCN(CC)C(=O)CSc1nnnn1-c1cccc(OC)c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c17cccc3c1.c18nnnn17.C2(=O)C6.N245.CC4.C5C.S68.O3C |
26732 | COc1cccc(-n2nnnc2SCC(=O)NC(C)(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2] | c14cccc7c1.n17nnnc18.C6C3=O.C5(C)(C)C.CO4.S68.N35 |
26733 | COc1cc(OC)cc(-n2nnnc2SCC(N)=O)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][N][=O][=C][Ring2][Ring1][C] | c13cc4cc6c1.n16nnnc17.C5C(N)=O.CO3.O4C.S57 |
26735 | COc1ccc(-n2nnnc2SCC(N)=O)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][N][=O][C][=C][Ring1][S][O][C] | c13ccc6cc14.n16nnnc17.C5C(N)=O.CO3.S57.O4C |
26737 | CNC(=O)CSc1nnnn1-c1ccc(OC)c(OC)c1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16ccc3c4c1.c17nnnn16.C2(=O)C5.CN2.S57.O3C.O4C |
26740 | O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccccc1F | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccc(F)cc1.c14ccccc1F.c16nnnn15.O=C2C3.S36.N24 |
26741 | Cc1cc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][=Branch1] | c16ccc(F)cc1.Cc1cc5no1.c17nnnn16.C3(=O)C4.N35.S47 |
26742 | Fc1ccc(-n2nnnc2SCc2ccccn2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Fc1ccc5cc1.n15nnnc16.c14ccccn1.S36.C34 |
26743 | COC(=O)c1ccc(-n2nnnc2SCC(N)=O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][N][=O][C][=C][Ring1][S] | c15ccc6cc1.n16nnnc17.C4C(N)=O.C35=O.CO3.S47 |
26744 | COc1ccc(OC)c(-n2nnnc2SCC(N)=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][N][=O][=C][Ring2][Ring1][C] | c13ccc4c6c1.n16nnnc17.C5C(N)=O.CO3.O4C.S57 |
26746 | COc1ccc(OC)c(-n2nnnc2SCc2cccnc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c13ccc4c7c1.n17nnnc18.c16cccnc1.CO3.O4C.S58.C56 |
26747 | COc1ccc(OC)c(-n2nnnc2SCc2ccccn2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c13ccc4c7c1.n17nnnc18.c16ccccn1.CO3.O4C.S58.C56 |
26748 | CNC(=O)CSc1nnnn1-c1ccc(OC)cc1OC | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c16ccc3cc14.c17nnnn16.C2(=O)C5.CN2.S57.O3C.O4C |
26750 | Nc1cccc(NC(=O)CCC(=O)NCc2ccco2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | Nc1cccc6c1.C3(=O)CCC4=O.c17ccco1.N36.N45.C57 |
26751 | CC(C(=O)Nc1cccc(N)c1)n1nnc2ccccc21 | [C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15nnc2ccccc21.c14cccc(N)c1.CC5C3=O.N34 |
26752 | Cc1cc(C)nc(SCC(=O)Nc2cc(N)ccc2C)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Ring2] | Cc1cc(C)nc6n1.c15cc(N)ccc1C.C4C3=O.S46.N35 |
26753 | CCn1c(SCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c6nc2c1c(=O)n(C)c(=O)n2C.c15ccccc1.C3C5.CC4.S36 |
26754 | COc1ccc(NC(=O)CSc2ccccc2N)cc1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17ccccc1N.C3(=O)C5.CO4.N36.S57 |
26755 | CC(=O)c1ccc(NC(=O)CSc2ccccc2N)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C] | c16ccc5cc1.c17ccccc1N.C3(=O)C4.CC6=O.N35.S47 |
26757 | Cc1ccc(NC(=O)CSc2ccccc2N)cc1 | [C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16ccccc1N.C3(=O)C4.N35.S46 |
26758 | Nc1ccccc1SCC(=O)NCc1ccco1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Nc1ccccc16.c15ccco1.C4C2=O.S46.N23.C35 |
26759 | Nc1ccccc1SCC(=O)N1CCc2ccccc21 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.Nc1ccccc15.C4C3=O.S45 |
26760 | Cc1nc(NC(=O)CSc2ccccc2N)sc1C | [C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][C][=Ring1][P][C] | Cc1nc5sc1C.c16ccccc1N.C3(=O)C4.N35.S46 |
26761 | CC1Cc2ccccc2N1C(=O)CSc1ccccc1N | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | CC1Cc2ccccc2N13.c15ccccc1N.C3(=O)C4.S45 |
26762 | Nc1ccccc1SCC(=O)Nc1nccs1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | Nc1ccccc15.c14nccs1.C3C2=O.S35.N24 |
26763 | CC(C)(C)NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ncnc2c1cnn26.c16ccccc1.CC4(C)C.C3(=O)C5.N34.S57 |
26764 | Cc1cc2cc3c(cc2nc1SCC(N)=O)OCO3 | [C][C][=C][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][Branch1][C][N][=O][O][C][O][Ring1][=C] | Cc1cc2cc3c(cc2nc15)OCO3.C4C(N)=O.S45 |
26765 | CCOC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][O][C][O][Ring1][#Branch2] | c17nc2cc3c(cc2cc1C)OCO3.C4(=O)C6.CC5.O45.S67 |
26766 | COC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][O][C][O][Ring1][#Branch2] | c16nc2cc3c(cc2cc1C)OCO3.C4(=O)C5.CO4.S56 |
26767 | Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCCC1)OCO3 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][O][C][O][Ring2][Ring1][Ring1] | Cc1cc2cc3c(cc2nc16)OCO3.N14CCCCC1.C5C4=O.S56 |
26768 | CCN(CC)C(=O)CSc1nc2cc3c(cc2cc1C)OCO3 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][O][C][O][Ring1][#Branch2] | c18nc2cc3c(cc2cc1C)OCO3.C4(=O)C7.N456.CC5.C6C.S78 |
26769 | Cc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCO3 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][O][C][O][Ring2][Ring1][Ring1] | Cc1cc2cc3c(cc2nc16)OCO3.N14CCOCC1.C5C4=O.S56 |
26772 | COc1cc(-c2nnc(SCC(N)=O)o2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][O][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c13cc8cc4c15.c18nnc7o1.C6C(N)=O.CO3.S67.O4C.O5C |
26773 | CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 | [C][C][S][C][=N][N][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][Ring1][P] | c18cc3c4c5c1.c17nnc8o1.CC6.S67.O3C.O4C.O5C |
26774 | CNC(=O)CSc1nnc2c3c4c(sc3ncn12)CC(C)CC4 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][C][=C][Branch1][N][S][C][=Ring1][Branch1][N][=C][N][Ring1][N][Ring1][=Branch2][C][C][Branch1][C][C][C][C][Ring1][N] | c17nnc2c3c4c(sc3ncn12)CC(C)CC4.C5(=O)C6.CN5.S67 |
26775 | CNC(=O)CSc1nnc2c(C)cc3cc(C)cc(C)c3n12 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][Branch1][C][C][=C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][Ring1][S][Ring1][=N] | c16nnc2c(C)cc3cc(C)cc(C)c3n12.C4(=O)C5.CN4.S56 |
26776 | COc1ccc(NC(=O)Cn2nnc3ccccc32)c(N)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][N][=C][Ring2][Ring1][Ring2] | n17nnc2ccccc21.c15ccc6c(N)c1.C4(=O)C7.CO5.N46 |
26777 | CC(C)(C)NC(=O)CSc1ncnc2sc3c(c12)CCCC3 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c17ncnc2sc3c(c12)CCCC3.CC5(C)C.C4(=O)C6.N45.S67 |
26778 | Cc1sc2ncnc(SCC(=O)N3CCCCCC3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1sc2ncnc6c2c1C.N14CCCCCC1.C5C4=O.S56 |
26779 | Cc1sc2ncnc(SCC(=O)N(C(C)C)C(C)C)c2c1C | [C][C][S][C][=N][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1sc2ncnc7c2c1C.C6C3=O.N345.C4(C)C.C5(C)C.S67 |
26780 | CC(C)N(C(=O)CSc1nnc(-c2ccc(F)cc2)o1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][C][Branch1][C][C][C] | c18ccc(F)cc1.c17nnc8o1.C3(=O)C6.CC4C.N345.C5(C)C.S67 |
26782 | COC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][O][Ring1][#C] | c18ccc4cc15.c17nnc8o1.C3(=O)C6.CO3.S67.O4C.O5C |
26783 | COc1ccc(-c2nnc(SC)o2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][N][C][=N][N][=C][Branch1][Ring1][S][C][O][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring1][#C] | c13ccc6c4c1.c16nnc5o1.CO3.S5C.O4C |
26784 | CCSc1nnc(-c2ccc(OC)cc2OC)o1 | [C][C][S][C][=N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][O][Ring1][#C] | c17ccc3cc14.c16nnc7o1.CC5.S56.O3C.O4C |
26786 | Cc1cc(C)cc(-c2nnc(SCC(N)=O)o2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][O][Ring1][#Branch2][=C][Ring1][P] | Cc1cc5cc(C)c1.c15nnc4o1.C3C(N)=O.S34 |
26787 | COC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][Ring1][=N] | c16cc(C)cc(C)c1.c15nnc6o1.C3(=O)C4.CO3.S45 |
26789 | Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCCC3)o2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring1][=C][=C][Ring2][Ring1][Branch1] | Cc1cc7cc(C)c1.c17nnc6o1.N14CCCC1.C5C4=O.S56 |
26791 | CCN(CC)C(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][Ring1][=N] | c18cc(C)cc(C)c1.c17nnc8o1.C3(=O)C6.N345.CC4.C5C.S67 |
26792 | COC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][Ring1][#C] | c18cc4cc5c1.c17nnc8o1.C3(=O)C6.CO3.S67.O4C.O5C |
26793 | COc1cc(OC)cc(-c2nnc(SC)o2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][N][C][=N][N][=C][Branch1][Ring1][S][C][O][Ring1][#Branch1][=C][Ring1][#C] | c13cc4cc6c1.c16nnc5o1.CO3.O4C.S5C |
26796 | CC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 | [C][C][C][C][C][N][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][Ring2][Ring1][Branch1] | S3(=O)(=O)c1ccc(S4(=O)=O)cc1.CC1CCCN3C1.N4(C)C |
26798 | CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=N] | S3(=O)(=O)c1ccc(S4(=O)=O)cc1.CN3C.C15CC1.N45 |
26799 | CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] | S2(=O)(=O)c1ccc(S3(=O)=O)cc1.CC1CCCCN12.N3(C)C |
26800 | COc1ccc(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c15ccc7cc1.c18nc9n[nH]1.c19cccnc1.C4(=O)C6.CO5.N47.S68 |
26801 | Cn1c(=O)c2c(nc(SCc3cccnc3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][Branch1][O][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc6n2C)n(C)c1=O.c15cccnc1.S46.C45 |
26803 | COc1ccc(-n2nnnc2SCC(=O)N2CCCCC2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc6cc1.N13CCCCC1C.n16nnnc17.C5C3=O.CO4.S57 |
26804 | COc1ccc(-n2nnnc2SCC(=O)N2CCCC(C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc6cc1.N13CCCC(C)C1.n16nnnc17.C5C3=O.CO4.S57 |
26805 | COc1ccc(-n2nnnc2SCC(=O)N2CCC(C)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc6cc1.N13CCC(C)CC1.n16nnnc17.C5C3=O.CO4.S57 |
26807 | COc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc7cc1.n17nnnc18.c16cc(C)on1.C5C3=O.CO4.S58.N36 |
26808 | COc1ccc(-n2nnnc2SCc2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc6cc1.n16nnnc17.c15cccnc1.CO3.S47.C45 |
26809 | COc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.n16nnnc17.N13CCOCC1.C5C3=O.CO4.S57 |
26810 | COc1ccc(-n2nnnc2SCC(=O)c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | c13ccc6cc1.n16nnnc17.c15cccs1.C4C5=O.CO3.S47 |
26811 | COc1ccc(-n2nnnc2SCC(=O)N2CCCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc6cc1.N13CCCCCC1.n16nnnc17.C5C3=O.CO4.S57 |
26812 | COc1ccc(-n2nnnc2SCc2ccccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc6cc1.n16nnnc17.c15ccccn1.CO3.S47.C45 |
26813 | Nc1cc(N)nc(SCC(=O)c2ccc3c(c2)OCCO3)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | c15ccc2c(c1)OCCO2.Nc1cc(N)nc6n1.C4C5=O.S46 |
26814 | CCC(=O)Nc1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c17nc(N)cc(N)n1.c15ccc6cc1.CCC3=O.C6(=O)C4.N35.S47 |
26815 | COc1ccc2c(c1)cc(C)c1nnc(SCC(N)=O)n12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][Ring1][S] | c13ccc2c(c1)cc(C)c1nnc5n12.C4C(N)=O.CO3.S45 |
26817 | COC(=O)CSc1nnc2c(C)cc3cc(OC)ccc3n12 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][Branch1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][Ring1][S][Ring1][=N] | c17nnc2c(C)cc3cc5ccc3n12.C4(=O)C6.CO4.S67.O5C |
26818 | CNC(=O)CSc1nnc2c(C)cc3cc(OC)ccc3n12 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][Branch1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][Ring1][S][Ring1][=N] | c17nnc2c(C)cc3cc5ccc3n12.C4(=O)C6.CN4.S67.O5C |
26819 | CC(=O)c1ccc(NC(=O)Cc2cn3ccccc3n2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c17cn2ccccc2n1.c16ccc5cc1.C4(=O)C7.CC6=O.N45 |
26820 | Cc1cccc(NC(=O)Cc2cn3ccccc3n2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][C] | c16cn2ccccc2n1.Cc1cccc5c1C.C4(=O)C6.N45 |
26821 | Cc1cccc(NC(=O)Cc2cn3ccccc3n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | c16cn2ccccc2n1.Cc1cccc5c1.C4(=O)C6.N45 |
26822 | Cc1ccc(NC(=O)Cc2cn3ccccc3n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | c16cn2ccccc2n1.Cc1ccc5c(C)c1.C4(=O)C6.N45 |
26823 | Cc1cccc(C)c1NC(=O)Cc1cn2ccccc2n1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2] | c15cn2ccccc2n1.Cc1cccc(C)c14.C3(=O)C5.N34 |
26824 | COc1ccc(OC)c(NC(=O)c2cn3ccc(C)cc3n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c18cn2ccc(C)cc2n1.c15ccc6c7c1.C48=O.CO5.O6C.N47 |
26825 | CCc1nnc(NC(=O)c2cn3ccc(C)cc3n2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][S][Ring2][Ring1][C] | c16cn2ccc(C)cc2n1.c17nnc5s1.C46=O.CC7.N45 |
26826 | Cc1ccn2cc(C(=O)Nc3ccccc3N3CCOCC3)nc2c1 | [C][C][C][=C][N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2] | Cc1ccn2cc7nc2c1.c15ccccc16.N16CCOCC1.C47=O.N45 |
26827 | CC(C)OC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c16nc2c(c(=O)n(C)c(=O)n2C)n1C.C3(=O)C5.CC4C.O34.S56 |
26829 | Cn1c(=O)c2c(nc(SCC(=O)N3CCCC3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Ring1][=C][C][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c(=O)c2c(nc6n2C)n(C)c1=O.N14CCCC1.C5C4=O.S56 |
26830 | CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c15nc2c(c(=O)n(C)c(=O)n2C)n1C.C3(=O)C4.CN3.S45 |
26832 | O=C(CSc1nnc(-c2ccccc2F)o1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c16ccccc1F.c15nnc6o1.N13CCCC1.O=C3C4.S45 |
26833 | O=C(CSc1nnc(-c2ccccc2F)o1)NC1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N][N][C][C][C][C][C][Ring1][Branch1] | c17ccccc1F.c16nnc7o1.C15CCCC1.O=C3C4.S46.N35 |
26834 | COc1cc2cc(C)c(SCC(=O)N3CCCC3)nc2cc1OC | [C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c15cc2cc(C)c8nc2cc16.N14CCCC1.C7C4=O.CO5.S78.O6C |
26835 | Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCC1)OCCO3 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][C][C][O][Ring2][Ring1][Ring1] | Cc1cc2cc3c(cc2nc16)OCCO3.N14CCCC1.C5C4=O.S56 |
26836 | COc1ccc2cc(C)c3nnc(SCC(N)=O)n3c2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][C][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c14ccc2cc(C)c3nnc6n3c2c1.C5C(N)=O.CO4.S56 |
26837 | CNC(=O)CSc1nnc2c(C)cc3ccc(OC)cc3n12 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][Branch1][C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][S][Ring1][=N] | c17nnc2c(C)cc3ccc5cc3n12.C4(=O)C6.CN4.S67.O5C |
26845 | CCOC(=O)CSc1nnc(-c2cccc(F)c2)o1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][N] | c17cccc(F)c1.c16nnc7o1.C3(=O)C5.CC4.O34.S56 |
26848 | O=C(CSc1nnc(-c2cccc(F)c2)o1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c16cccc(F)c1.c15nnc6o1.N13CCCC1.O=C3C4.S45 |
26851 | CCN(CC)C(=O)CSc1nnc(-c2cccc(F)c2)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][N] | c18cccc(F)c1.c17nnc8o1.C3(=O)C6.N345.CC4.C5C.S67 |
26852 | CC(C)(C)NC(=O)CSc1nnc(-c2cccc(F)c2)o1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][N] | c17cccc(F)c1.c16nnc7o1.CC4(C)C.C3(=O)C5.N34.S56 |
26853 | CC1CCCC(C)N1C(=O)CSc1nnc(-c2cccs2)o1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2] | CC1CCCC(C)N13.c15nnc6o1.c16cccs1.C3(=O)C4.S45 |
26854 | CNC(=O)CSc1nnc(-c2cccs2)o1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2] | c15nnc6o1.c16cccs1.C3(=O)C4.CN3.S45 |
26855 | O=C(CSc1nnc(-c2cccs2)o1)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8o1.c16ccccc1.c18cccs1.O=C3C5.C4C6.S57.N34 |
26856 | CC1CCCN(C(=O)CSc2nnc(-c3cccs3)o2)C1 | [C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][Ring2][Ring1][Ring2] | CC1CCCN4C1.c16nnc7o1.c17cccs1.C4(=O)C5.S56 |
26857 | CC(C)N(C(=O)CSc1nnc(-c2cccs2)o1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][Branch1][C][C][C] | c17nnc8o1.c18cccs1.C3(=O)C6.CC4C.N345.C5(C)C.S67 |
26860 | CCOC(=O)CSc1nnc(-c2ccccc2F)o1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N] | c17ccccc1F.c16nnc7o1.C3(=O)C5.CC4.O34.S56 |
26861 | O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C] | O=S3(=O)c1ccc(S4(=O)=O)cc1.N14CCCC1.C15CC1.N35 |
26862 | CCOC(=O)C(C)Sc1nnc(-c2ccc(F)cc2)o1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N] | c17ccc(F)cc1.c16nnc7o1.C3(=O)C5C.CC4.O34.S56 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.