ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
24756 | COc1cc(OC)c(C(=O)c2oc3ccccc3c2N)c(OC)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c17oc2ccccc2c1N.c14cc5c8c6c1.C78=O.CO4.O5C.O6C |
24757 | Cn1c(=O)c2c(ncn2CC(=O)OCc2ccccc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c16ccccc1.C5C3=O.O34.C46 |
24758 | C=C(C)Cn1c(NCC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][Ring2][N][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.C=C(C)C5.N34.C3C |
24759 | Cn1c(=O)c2c(nc3sc(-c4ccc(F)cc4)cn32)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch2][N][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][Ring1][N][Ring1][#C][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c(=O)c2c(nc3sc5cn32)n(C)c1=O.c15ccc(F)cc1 |
24760 | Cc1cc(=O)n2c(-c3ccccc3)c(-c3ccco3)nc2n1C | [C][C][=C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][S][N][Ring2][Ring1][Branch1][C] | Cc1cc(=O)n2c5c4nc2n1C.c15ccccc1.c14ccco1 |
24761 | C=CCn1nnnc1SCC(=O)Nc1ccccc1C | [C][=C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c14ccccc1C.n15nnnc16.C3C2=O.C=CC5.S36.N24 |
24762 | O=c1c(Oc2ccc(F)cc2)coc2cc(O)ccc12 | [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1] | O=c1c3coc2cc(O)ccc12.c14ccc(F)cc1.O34 |
24763 | CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C | [C][C][N][Branch1][Ring1][C][C][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][Branch1][C][C][C] | c15nc2c(c(=O)n(C)c(=O)n2C)n16.N345.C6(C)C.CC3.C4C |
24764 | Cc1ccc(NC(=O)CSc2nnnn2-c2cccc(C)c2)cc1 | [C][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][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc5cc1.c16cccc(C)c1.c17nnnn16.C3(=O)C4.N35.S47 |
24765 | Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2C)c1 | [C][C][=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][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.c15ccccc1C.n16nnnc17.C4C3=O.S47.N35 |
24766 | Cc1cccc(-n2nnnc2SCC(=O)c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | Cc1cccc5c1.n15nnnc16.c14ccccc1.C3C4=O.S36 |
24767 | Cc1ccc(N2CC(O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][N][C][C][Branch1][C][O][C][N][C][Ring1][#Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Branch2] | N14CC(O)Cn2c1nc1c2c(=O)n(C)c(=O)n1C.Cc1ccc4cc1 |
24768 | CCCn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCCCCC1.CCC4 |
24769 | CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 | [C][N][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][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.c15ccccc1.C4C5.CN3 |
24770 | Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2CC(O)CO | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][C][Branch1][C][O][C][O] | Cn1c(=O)[nH]c(=O)c2c1nc4n25.c16ccccc1.C5C(O)CO.N34.C36 |
24771 | Cn1c(=O)c2c(nc(N)n2CCc2ccccc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc(N)n23)n(C)c1=O.c14ccccc1.C3C4 |
24772 | CC(=O)Nc1cc(C)ccc1CCc1ccc(C)cc1NC(C)=O | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][Branch1][C][C][=O] | c14cc(C)ccc16.c17ccc(C)cc15.CC2=O.C6C7.C3(C)=O.N24.N35 |
24773 | CC(=O)Oc1ccc(C(C)c2ccc(OC(C)=O)cc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18ccc6cc1.CC3=O.C78C.C4(C)=O.O35.O46 |
24774 | OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F | [O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ccc(F)cc1.c14ccccc1F.OC34C2.n12cncn1 |
24775 | CCC(C)N(C(C)=O)c1ccc(N(C(C)=O)C(C)CC)cc1 | [C][C][C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][Branch1][#C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][C][=C][Ring1][=C] | c16ccc7cc1.CCC4C.C5(C)CC.N246.C2(C)=O.N357.C3(C)=O |
24776 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccc(O)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] | C2(=O)C1=C(C)N=C(C)C5C16.c16ccc(O)c4c1.C35=O.CO2.O3C.O4C |
24777 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccccc2)o1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | C3(=O)C1=C(C)NC(=O)NC14.c14ccc5o1.c15ccccc1.CO3 |
24778 | CCOC(=O)N1CCC(Sc2ccnc3ccccc23)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][S][S][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][P] | c18ccnc2ccccc12.N15CCC7CC1.C45=O.CC6.O46.S78 |
24779 | O=C(CCn1c(CO)nc2ccccc21)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14c5nc2ccccc21.c13ccccc1.O=C3CC4.C5O |
24781 | Cn1c(=O)c2ncc(-c3ccc(Br)cc3)nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | Cn1c(=O)c2ncc4nc2n(C)c1=O.c14ccc(Br)cc1 |
24783 | CCC(=O)Nc1c(-c2ccccc2)nc2ccccn12 | [C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1] | c14c5nc2ccccn12.c15ccccc1.CCC3=O.N34 |
24784 | CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 | [C][C][Branch1][C][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][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2c(c(=O)n(C)c(=O)n2C)n14.c15ccccc1.CC3C.S36.C45 |
24785 | Cc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=N][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.c16nnn5n1.c14ccccc1.C5C4=O |
24786 | Clc1ccc(NCc2nnc3n2CCCCC3)cc1 | [Cl][C][=C][C][=C][Branch1][P][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c16nnc2n1CCCCC2.Clc1ccc5cc1.N45.C46 |
24787 | O=C(CSc1nc2n(n1)CCCCC2)Nc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16nc2n(n1)CCCCC2.c15ccc(Cl)cc1.O=C3C4.S46.N35 |
24788 | O=c1c(Oc2ccccc2F)coc2cc(O)ccc12 | [O][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1] | O=c1c3coc2cc(O)ccc12.c14ccccc1F.O34 |
24789 | O=c1c(Oc2cnn(-c3ccccc3)c2)coc2cc(O)ccc12 | [O][=C][C][Branch2][Ring1][Ring1][O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1] | O=c1c4coc2cc(O)ccc12.c15cnn6c1.c16ccccc1.O45 |
24790 | COc1ccc2c(=O)c(Oc3cnn(-c4ccccc4)c3)coc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][=C][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c15ccc2c(=O)c6coc2c1.c17cnn8c1.c18ccccc1.CO5.O67 |
24791 | COc1cnc(C)nc1NS(=O)(=O)c1ccc(N)cc1 | [C][O][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(N)cc1.c12cnc(C)nc14.CO2.N34 |
24792 | CCOc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1OC | [C][C][O][C][=C][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][=C][Ring1][P][O][C] | S6(=O)(=O)c1ccc(N)cc1.c15cnc7nc14.CC3.O35.N67.O4C |
24794 | Cc1ccc(S(=O)(=O)NC(C)C(=O)N2CCOCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.N13CCOCC1.C4(C)C3=O.N45 |
24795 | Cc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.C16CCCCC1.C4(C)C3=O.N45.N36 |
24800 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | n15cnc2ccccc2c1=O.c14ccc2c(c1)OCO2.O=C3C5.N34 |
24809 | CCOC(=O)c1cc(C(=O)Nc2ccccc2F)n2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][C][=Ring2][Ring1][Ring1][Ring1][=Branch1] | c18cc7n2ccccc12.c16ccccc1F.C38=O.C47=O.CC5.O35.N46 |
24810 | COC(=O)C1OC(C)(OC)C(C)(OC)OC1C(=O)OC | [C][O][C][=Branch1][C][=O][C][O][C][Branch1][C][C][Branch1][Ring1][O][C][C][Branch1][C][C][Branch1][Ring1][O][C][O][C][Ring1][N][C][=Branch1][C][=O][O][C] | C16OC4(C)C5(C)OC17.C26=O.C37=O.CO2.O4C.O5C.O3C |
24811 | CCCc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1 | [C][C][C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(C)cc1.c15cc(C)nc4n1.CCC5.N34 |
24812 | Cc1cc(-c2ccco2)nc(NS(=O)(=O)c2ccc(N)cc2)n1 | [C][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | S3(=O)(=O)c1ccc(N)cc1.Cc1cc5nc4n1.c15ccco1.N34 |
24813 | CC(=O)OC12CC3CC(C1)C(OC(C)=O)(OC(C)=O)C(C3)C2 | [C][C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring2][C][Ring1][#C][C][Ring2][Ring1][C] | C127CC3CC(C1)C89C(C3)C2.CC4=O.C5(C)=O.C6(C)=O.O47.O58.O69 |
24814 | COC1(c2ccccc2)COC(OC)(c2ccccc2)CO1 | [C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring2][Ring1][Ring2] | C135COC46CO1.c15ccccc1.c16ccccc1.CO3.O4C |
24815 | CC(C1C(=O)CC(C)(C)CC1=O)C1C(=O)OC(C)(C)OC1=O | [C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2][=O] | C12C(=O)CC(C)(C)CC1=O.C13C(=O)OC(C)(C)OC1=O.CC23 |
24818 | CC(C)(COC(N)=O)C(O)c1ccc(Cl)cc1 | [C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | CC(C)(C3)C4O.c14ccc(Cl)cc1.C2(N)=O.O23 |
24819 | OCc1c(CO)c(CO)c(CO)c(CO)c1CO | [O][C][C][=C][Branch1][Ring1][C][O][C][Branch1][Ring1][C][O][=C][Branch1][Ring1][C][O][C][Branch1][Ring1][C][O][=C][Ring1][=C][C][O] | c12c3c4c5c6c17.OC2.C3O.C4O.C5O.C6O.C7O |
24820 | Cc1ccc(CC(=O)NCC(O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16ccccc1.C5C3=O.C4C6O.N34 |
24821 | Cc1ncc2c(c1OC(=O)c1ccccc1)C(O)OC2 | [C][C][=N][C][=C][C][=Branch1][P][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][O][C][Ring1][S] | Cc1ncc2c(c14)C(O)OC2.c15ccccc1.C35=O.O34 |
24822 | CCOC(=O)c1c[nH]c(C(=O)OCc2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][NH1][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C] | c18c[nH]c7c1C.c19ccccc1.C38=O.C47=O.CC5.O35.O46.C69 |
24823 | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C | [C][C][=C][C][N][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][=C][Ring1][Branch2][N][Branch1][C][C][C][=Ring1][=N][C][=C][Ring1][P][C] | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C |
24824 | Brc1cc2c(cc1Br)OCO2 | [Br][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][O][C][O][Ring1][Branch2] | Brc1cc2c(cc1Br)OCO2 |
24825 | Cc1ccc(S(=O)(=O)NCc2ccco2)cc1 | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S] | Cc1ccc(S4(=O)=O)cc1.c15ccco1.N34.C35 |
24827 | O=C(NCSc1nc2ccccc2o1)c1ccccc1 | [O][=C][Branch1][P][N][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2o1.c14ccccc1.N3CS5.O=C34 |
24828 | O=S1(=O)c2ccccc2CC1C1(O)CCCCC1 | [O][=S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1] | O=S1(=O)c2ccccc2CC13.C13(O)CCCCC1 |
24830 | COC1OC(CO)C(O)C(OC)C1NC(=O)c1ccccc1 | [C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][Ring1][O][C][C][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13OC7C(O)C4C15.c16ccccc1.C26=O.CO3.C7O.O4C.N25 |
24831 | O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n14cnc2ccc(Cl)cc2c1=O.c13ccc(F)cc1.O=C3C4 |
24832 | COc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][Branch1][F] | n16cnc2ccc(Cl)cc2c1=O.c14ccc5cc1F.C5(=O)C6.CO4 |
24833 | COc1cccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][Branch1] | n16cnc2ccc(Cl)cc2c1=O.c14cccc5c1.C5(=O)C6.CO4 |
24834 | O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14cnc2ccc(Cl)cc2c1=O.c13ccccc1.O=C3C4 |
24837 | O=C(Nc1ccncc1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.c14ccncc1.O=C23.N24.N35 |
24838 | CC1c2ccccc2-c2cc(C(=O)N(C)C)ccc21 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][O][Ring2][Ring1][C] | CC1c2ccccc2-c2cc4ccc21.C34=O.N3(C)C |
24839 | OC(c1ccccc1Cl)C(O)c1ccccc1Cl | [O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c12ccccc1Cl.c13ccccc1Cl.OC2C3O |
24841 | Oc1cc(Br)c(O)cc1Br | [O][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][Branch2][Br] | Oc1cc(Br)c(O)cc1Br |
24843 | CC1c2ccccc2-c2ccc(C(=O)N(C)C)cc21 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][Ring2][Ring1][C] | CC1c2ccccc2-c2ccc4cc21.C34=O.N3(C)C |
24844 | CC(C)OC(=O)c1ccccc1C(=O)OC(C)C | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | c16ccccc17.CC4C.C26=O.C37=O.C5(C)C.O24.O35 |
24846 | Cc1cc(=O)oc2cc(NC(=O)C3CCC(=O)N3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][Ring1][#C] | Cc1cc(=O)oc2cc5ccc12.C16CCC(=O)N1.C46=O.N45 |
24847 | O=C1CCC(C(=O)Nc2ccc3ccccc3c2)N1 | [O][=C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][Ring2][Ring1][C] | c15ccc2ccccc2c1.O=C1CCC6N1.C46=O.N45 |
24848 | CCOC(=O)Cn1nc2c(c1C)c(=O)c1ccccc1n2C | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][C][=Branch1][Branch1][=C][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C] | n15nc2c(c1C)c(=O)c1ccccc1n2C.C3(=O)C5.CC4.O34 |
24850 | Cc1[nH]c(C)c(Br)c(=O)c1Br | [C][C][NH1][C][Branch1][C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][=Ring1][=Branch2][Br] | Cc1[nH]c(C)c(Br)c(=O)c1Br |
24853 | CSc1ncc(OCC(=O)Nc2cc(C)on2)cn1 | [C][S][C][=N][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=N][Ring1][P] | c17ncc5cn1.c16cc(C)on1.C4C3=O.CS7.O45.N36 |
24854 | Cc1cc(NC(=O)c2cc(Cl)ccc2O)no1 | [C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][=N][O][Ring1][S] | c15cc(Cl)ccc1O.Cc1cc4no1.C35=O.N34 |
24855 | CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccccc1.CN3C.C45 |
24856 | C=C(C)Cn1c(N(CC)CC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n16c5nc2c1c(=O)n(C)c(=O)n2C.C=C(C)C6.N345.C3C.C4C |
24857 | O=c1c2cc(Br)ccc2nc2n1CCC2 | [O][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][=C][N][Ring1][O][C][C][C][Ring1][Branch1] | O=c1c2cc(Br)ccc2nc2n1CCC2 |
24858 | Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1N | [C][C][=N][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][=C][Ring1][#C][N] | Cc1nn3c(C)c1N.c14ccc(Cl)cc1Cl.C34 |
24859 | OCSc1nnc(-c2cccc(Br)c2)o1 | [O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][O][Ring1][N] | c14cccc(Br)c1.c13nnc4o1.OCS3 |
24860 | COc1ccc(CC(=O)Nn2c(-c3ccccc3)csc2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] | C5C(=O)Nn1c6csc1=O.c14ccc5cc1.c16ccccc1.CO4 |
24861 | Cc1sc(=O)n(NC(=O)Cc2ccccc2)c1-c1ccccc1 | [C][C][S][C][=Branch1][C][=O][N][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc(=O)n(NC(=O)C3)c14.c13ccccc1.c14ccccc1 |
24862 | O=C(Cc1ccccc1)Nn1c(-c2ccc(F)cc2)csc1=O | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][C][Ring1][N][=O] | O=C(C3)Nn1c4csc1=O.c14ccc(F)cc1.c13ccccc1 |
24863 | Cc1cccc(-n2nnnc2SCC(=O)NCc2ccccc2)c1 | [C][C][=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][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | Cc1cccc7c1.n17nnnc18.c16ccccc1.C5C3=O.S58.N34.C46 |
24865 | Clc1ccc(NCc2nnc3n2CCCCC3)cc1Cl | [Cl][C][=C][C][=C][Branch1][P][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][Cl] | c16nnc2n1CCCCC2.Clc1ccc5cc1Cl.N45.C46 |
24866 | Cc1nnc(SCC(=O)NCc2ccccc2)n(N)c1=O | [C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][N][C][Ring2][Ring1][Ring1][=O] | Cc1nnc7n(N)c1=O.c16ccccc1.C5C3=O.S57.N34.C46 |
24867 | Cc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | c16ccc2c(c1)OCCO2.Cc1cc(C)nc7n1.C5C4=O.S57.N46 |
24868 | CSc1nc(-c2ccccc2)cn1-c1ccc(NC(C)=O)cc1 | [C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c16nc7cn15.c15ccc4cc1.c17ccccc1.C3(C)=O.CS6.N34 |
24869 | Cn1c(=O)[nH]c(=O)c2ncn(CC(=O)c3ccc(F)cc3)c21 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][N][=C][N][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#C][Ring2][Ring1][Branch1] | Cn1c(=O)[nH]c(=O)c2ncn5c21.c14ccc(F)cc1.C5C4=O |
24870 | OC(CNc1ccc(F)cc1)CSc1nnnn1-c1ccccc1 | [O][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(F)cc1.c16nnnn15.c15ccccc1.OC(C2)C3.N24.S36 |
24871 | O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14cnc2ccc(Br)cc2c1=O.c13ccccc1.O=C3C4 |
24872 | O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccn1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c15ccc(Cl)c(Cl)c1.c14ncccn1.O=C23.N25.N34 |
24873 | c1cc(Nn2c(-c3ccncc3)nnc2-c2ccncc2)ccn1 | [C][=C][C][Branch2][Ring1][O][N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][Branch2] | c1cc(Nn2c4nnc25)ccn1.c14ccncc1.c15ccncc1 |
24874 | CC(=O)Oc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c14ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1.CC3=O.O34 |
24875 | CSc1nccc(NS(=O)(=O)c2ccccc2)n1 | [C][S][C][=N][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][S] | S3(=O)(=O)c1ccccc1.c15nccc4n1.CS5.N34 |
24876 | COc1cnc(SC)nc1NS(=O)(=O)c1ccccc1 | [C][O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c12cnc5nc14.CO2.S5C.N34 |
24877 | CCc1c[nH]c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O | [C][C][C][=C][NH1][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=O] | c13c[nH]c(=O)n4c1=O.c14ccc(Cl)c(Cl)c1.CC3 |
24878 | Cc1cccc(C)c1NC(=O)OCc1ccncc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1cccc(C)c15.c16ccncc1.C23=O.N35.O24.C46 |
24879 | Cc1cc(C)c(NC(=O)OCCc2ccccn2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c6c(C)c1.c17ccccn1.C34=O.C5C7.N46.O35 |
24880 | Cc1cccc(C)c1NC(=O)OCc1cccnc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1cccc(C)c15.c16cccnc1.C23=O.N35.O24.C46 |
24881 | Cc1cc(C)c(NC(=O)OCc2ccncc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c6c(C)c1.c17ccncc1.C34=O.N46.O35.C57 |
24882 | Cc1cccc(C)c1NC(=O)OCc1ccccn1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cccc(C)c15.c16ccccn1.C23=O.N35.O24.C46 |
24883 | CCN(CC)C(=O)C1C(=O)C2CCC1C(C)(C)C2 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | C16C(=O)C2CCC1C(C)(C)C2.N345.C36=O.CC4.C5C |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.