ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
17815 | CC(=O)NC(C)(CC(=O)c1ccccc1)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C35(C)CC4=O.c14ccccc1.c15ccccc1.CC2=O.N23 |
17816 | CC(O)=Nc1ccc(-c2cc(N=C(C)O)n(-c3ccccc3)n2)cc1 | [C][C][Branch1][C][O][=N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=C][Branch1][#Branch1][N][=C][Branch1][C][C][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | CC(O)=Nc1ccc5cc1.c15cc(N=C(C)O)n4n1.c14ccccc1 |
17817 | CCOC(=O)c1c(NC(C)=O)sc2c1CC(C)CC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c17c6sc2c1CC(C)CC2.C37=O.C4(C)=O.CC5.O35.N46 |
17818 | CCCc1nc2sc3c(c2c(=O)n1N)CCCC3 | [C][C][C][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][C][C][C][Ring1][O] | c14nc2sc3c(c2c(=O)n1N)CCCC3.CCC4 |
17819 | CC(NS(=O)(=O)c1ccccc1)C1COc2ccccc2O1 | [C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.S4(=O)(=O)c1ccccc1.CC35.N34 |
17820 | NS(=O)(=O)c1cc(Br)ccc1Br | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Br] | NS(=O)(=O)c1cc(Br)ccc1Br |
17821 | O=C(Nc1ccncc1)C1COc2ccccc2O1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccncc1.O=C35.N34 |
17822 | O=c1ccn(Cc2ccccc2)c2ccnc(C(F)(F)F)c12 | [O][=C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] | O=c1ccn3c2ccnc4c12.c15ccccc1.C4(F)(F)F.C35 |
17824 | COc1ccc(-c2cc3n(c2)CCn2cccc2-3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c15cc2n(c1)CCn1cccc1-2.c14ccc5cc1.CO4 |
17825 | Clc1cccc(-c2csc(N3CCOCC3)n2)c1 | [Cl][C][=C][C][=C][C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][=C][Ring1][P] | Clc1cccc5c1.c15csc4n1.N14CCOCC1 |
17826 | O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17nc2ccccc2o1.c15ccc7cc1.c16cccnc1.O=C46.N45 |
17830 | COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl] | c15cc(S4(=O)=O)ccc1Cl.N14CCOCC1.C35=O.CO3 |
17831 | COc1cccc(NC(=O)c2c(OC)cccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1] | c18c5cccc16.c14cccc7c1.C38=O.CO4.N37.O5C.O6C |
17832 | O=C(NCC1CCCO1)c1ccccc1Br | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.C15CCCO1.O=C24.N23.C35 |
17833 | COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | c15ccc(Cl)c(S4(=O)=O)c1.N14CCOCC1.C35=O.CO3 |
17834 | COC(=O)CSc1nnc(-c2ccccc2Cl)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N] | c16ccccc1Cl.c15nnc6o1.C3(=O)C4.CO3.S45 |
17835 | O=C(N1CCOCC1)N1c2ccccc2C=Cc2ccccc21 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | N14c2ccccc2C=Cc2ccccc21.N13CCOCC1.O=C34 |
17836 | CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl | [C][N][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring1][P][Cl] | c13cnn5c(=O)c1Cl.c15cccc4c1.C4(F)(F)F.CN3 |
17837 | CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | S2(=O)(=O)c1cc(Cl)ccc1Cl.CN2C |
17838 | O=C1Cc2ccccc2C(c2cccc(Br)c2)N1 | [O][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][Ring1][P] | O=C1Cc2ccccc2C(c2cccc(Br)c2)N1 |
17839 | COc1cc2nnc3c(c(C)nn3-c3ccccc3)c2cc1OC | [C][O][C][=C][C][=N][N][=C][C][Branch1][P][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc2nnc3c(c(C)nn36)c2cc15.c16ccccc1.CO4.O5C |
17840 | COc1cccc(OC)c1C(=O)Nc1ccccc1C | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c13cccc4c16.c15ccccc1C.C26=O.CO3.O4C.N25 |
17842 | COc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl | [C][O][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring1][P][Cl] | c13cnn5c(=O)c1Cl.c15cccc4c1.C4(F)(F)F.CO3 |
17843 | O=S(=O)(Nc1nc2ccccc2s1)c1cccc2cccnc12 | [O][=S][=Branch1][C][=O][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | O=S3(=O)c1cccc2cccnc12.c14nc2ccccc2s1.N34 |
17844 | NC(=O)c1ccccc1Nc1ccn2c(=O)c3ccccc3nc2n1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][=Ring1][#C] | c14ccn2c(=O)c3ccccc3nc2n1.c16ccccc15.NC6=O.N45 |
17845 | CNC(=O)c1ccccc1Nc1ccn2c(=O)c3ccccc3nc2n1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][=Ring1][#C] | c15ccn2c(=O)c3ccccc3nc2n1.c17ccccc16.C47=O.CN4.N56 |
17848 | CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][S] | S6(=O)(=O)c1cccc8c1.c17ccc(C)cc1.N456.C38=O.CC4.C5C.N37 |
17849 | O=C(CNc1n[nH]c(=O)[nH]c1=O)NCc1ccco1 | [O][=C][Branch1][#C][C][N][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c15n[nH]c(=O)[nH]c1=O.c16ccco1.O=C2C3.N35.N24.C46 |
17850 | O=C(CCNc1n[nH]c(=O)[nH]c1=O)NCc1ccco1 | [O][=C][Branch1][S][C][C][N][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c15n[nH]c(=O)[nH]c1=O.O=C2CC3.c16ccco1.N35.N24.C46 |
17851 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OC(C)C | [C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][#Branch2][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | Cc1c(Cl)c5nn14.C5(F)(F)F.C4C2=O.C3(C)C.O23 |
17852 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC(C)C | [C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | Cc1c(Cl)c5nn14.C5(F)(F)F.C4C2=O.C3(C)C.N23 |
17855 | NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl | [N][C][=Branch1][C][=O][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][#C][=C][Ring2][Ring1][C][Cl] | c14nn2c5cc6nc2c1Cl.c16ccco1.C5(F)(F)F.NC4=O |
17856 | COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl | [C][O][C][=Branch1][C][=O][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][#C][=C][Ring2][Ring1][C][Cl] | c15nn2c6cc7nc2c1Cl.c17ccco1.C6(F)(F)F.C45=O.CO4 |
17858 | Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(N)=O)cc3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][Branch2][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c16cc5n2nc4cc2n1.Cc1ccc6cc1.C5(F)(F)F.C4(N)=O |
17859 | Cc1cc(C)nc(SCC(=O)c2cccs2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][=C][S][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][S] | Cc1cc(C)nc5n1.c14cccs1.C3C4=O.S35 |
17862 | CCOC(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][=Ring1][=N][C][C][Ring2][Ring1][Ring1] | c17ccc2nnc8n2n1.N15CCN7CC1.C8(F)(F)F.C45=O.CC6.O46 |
17863 | O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)cc1 | [O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=N][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1c(Cl)c(Cl)cnn12.c12ccc(Cl)cc1 |
17864 | CCOC(=O)c1c(NC(C)c2ccccc2)c2ccccc2[nH]c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring2][Ring1][Ring1][=O] | c17c6c2ccccc2[nH]c1=O.c18ccccc1.C37=O.C58C.CC4.O34.N56 |
17866 | CCOc1ccc(NC(=O)CCC(=O)OC)cc1 | [C][C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][#C] | c15ccc6cc1.C3(=O)CCC2=O.CC4.O45.N36.O2C |
17867 | CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 | [C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.c15ccccc1.CC2C.N234.C35 |
17868 | O=S(=O)(Nc1ccc(Br)cn1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S2(=O)c1ccc(Cl)cc1.c13ccc(Br)cn1.N23 |
17869 | CCSc1cnn(C2CCCCC2)c(=O)c1Cl | [C][C][S][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][Cl] | c15cnn4c(=O)c1Cl.C14CCCCC1.CC3.S35 |
17871 | NC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 | [N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] | C125CC3CC(CC(C3)C1)C2.NC(=O)CCC4=O.N45 |
17872 | Cc1cccc(-n2ncc(Cl)c(Cl)c2=O)c1 | [C][C][=C][C][=C][C][Branch1][S][N][N][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=O][=C][Ring1][#C] | n13ncc(Cl)c(Cl)c1=O.Cc1cccc3c1 |
17873 | Cc1cc(C)nc(SCC(O)COc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][P][S][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc6n1.c14ccccc1.C5C(O)C3.S56.O34 |
17878 | CCOC(=O)C1CCN(C(=O)c2cccc(C)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17cccc(C)c1.C36=O.C47=O.CC5.O35 |
17880 | CC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S3(=O)(=O)c1ccc(F)cc1.c15ccc4cc1.CC5=O.N34 |
17883 | Cc1cccc(Cn2ncc(Cl)c(Cl)c2=O)c1 | [C][C][=C][C][=C][C][Branch1][P][C][N][N][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=O][=C][Ring1][S] | n13ncc(Cl)c(Cl)c1=O.Cc1cccc4c1.C34 |
17884 | O=C(Nc1cccc(Cl)c1)c1ccc(-n2cnnn2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c14cccc(Cl)c1.c15ccc6cc1.n16cnnn1.O=C35.N34 |
17885 | COc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c17ccc8cc1.n18cnnn1.C47=O.CO5.N46 |
17886 | CCOC(=O)CSc1nnc(-c2ccccc2OC)o1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][=N] | c18ccccc15.c17nnc8o1.C3(=O)C6.CC4.O34.S67.O5C |
17887 | Cc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.c16ccc7cc1.n17cnnn1.C46=O.N45 |
17888 | CCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O | [C][C][C][=C][Branch1][C][O][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][NH1][C][Ring1][P][=O] | c15c(O)nc6[nH]c1=O.N13CCCCC1.C4C3=O.CC5.S46 |
17890 | COc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | n15c(C)nc(=O)c6c1C.c14ccc5cc1.c16ccccc1.CO4 |
17892 | O=C(COc1ccc(Cl)cc1)Nc1ccc(O)cc1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ccc(O)cc1.O=C2C3.O34.N25 |
17895 | CCOC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17ccc(C)cc1.C36=O.C47=O.CC5.O35 |
17896 | CC(=O)Nc1cnn(-c2ccccc2)c(=O)c1Cl | [C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][Cl] | c14cnn5c(=O)c1Cl.c15ccccc1.CC3=O.N34 |
17898 | CCOc1ccc(C(=O)Nc2ccccn2)cc1Cl | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c15ccc7cc1Cl.c16ccccn1.C37=O.CC4.O45.N36 |
17899 | Cc1cc(OCC(=O)Nc2ccccn2)cc(C)c1Cl | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc5cc(C)c1Cl.c16ccccn1.C4C3=O.O45.N36 |
17900 | CC(C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 | [C][C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c14nc5nc6n1.N15CCOCC1.N16CCOCC1.CC3C.N34 |
17901 | CC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 | [C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c14ccc(Cl)cc1Cl.CC1CCN3CC1.C34=O |
17904 | CCOc1c(Cl)cnn(-c2ccccc2)c1=O | [C][C][O][C][=C][Branch1][C][Cl][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c14c(Cl)cnn5c1=O.c15ccccc1.CC3.O34 |
17906 | CCOc1cnn(-c2ccccc2)c(=O)c1Cl | [C][C][O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][Cl] | c14cnn5c(=O)c1Cl.c15ccccc1.CC3.O34 |
17907 | COc1ccc(C(=O)NC(C)Cc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c18ccccc1.C6(C)C8.C37=O.CO4.N36.O5C |
17908 | Cc1cc(C)nc(Sc2nc3ccccc3[nH]2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring1][P] | c15nc2ccccc2[nH]1.Cc1cc(C)nc4n1.S45 |
17910 | COc1ccc(S(=O)(=O)NCc2ccco2)cc1 | [C][O][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] | c13ccc(S5(=O)=O)cc1.c16ccco1.CO3.N45.C46 |
17911 | O=S(=O)(NCc1ccncc1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(F)cc1.c14ccncc1.N23.C24 |
17912 | COc1cnn(-c2cccc(C)c2)c(=O)c1Cl | [C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Cl] | c13cnn4c(=O)c1Cl.c14cccc(C)c1.CO3 |
17913 | COc1nn(-c2ccccc2)c(=O)c(Cl)c1Cl | [C][O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][=C][Cl] | c13nn4c(=O)c(Cl)c1Cl.c14ccccc1.CO3 |
17914 | OC(COc1ccc(Cl)cc1)CSc1ccccn1 | [O][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13ccc(Cl)cc1.c15ccccn1.OC(C2)C4.O23.S45 |
17915 | O=c1oc2ccccc2c2c1ncn2-c1ccccc1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1oc2ccccc2c2c1ncn23.c13ccccc1 |
17916 | COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3o2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | c19nc2ccccc2o1.c15ccc6c8c1.C4(=O)C7.CO5.O6C.N48.S79 |
17917 | COc1ccc(CCNC(=O)Cc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17ccccc1.C3(=O)C7.C6C5.CO4.N35 |
17919 | Cc1c(NC2(C#N)CCCCC2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=C][N][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C] | Cc1c4c(=O)n5n1C.C13(C#N)CCCCC1.c15ccccc1.N34 |
17920 | COc1ccc(NC(=O)CSc2nc3ccccc3o2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c19nc2ccccc2o1.c15ccc8c6c1.C4(=O)C7.CO5.N48.S79.O6C |
17921 | O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccc5cc1.c18ccccc1.c17cccnc1.O=C37.N36.O45.C48 |
17924 | Cc1cccc(C)c1NC(=O)Cn1c(=O)sc2ccccc21 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(=O)sc2ccccc21.Cc1cccc(C)c14.C3(=O)C5.N34 |
17925 | O=C(COc1ccc(Cl)cc1Cl)NCc1ccccn1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccc(Cl)cc1Cl.c16ccccn1.O=C2C3.O34.N25.C56 |
17926 | O=C1CCCc2c1sc1nc3n(c(=O)c21)CCC3 | [O][=C][C][C][C][C][=C][Ring1][=Branch1][S][C][N][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Ring1][#Branch2][=Ring1][#Branch1][C][C][C][Ring1][Branch2] | O=C1CCCc2c1sc1nc3n(c(=O)c21)CCC3 |
17927 | CCOC(=O)c1c2n(c3ccc(OC(C)=O)cc13)CCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][=N][Ring1][#Branch2][C][C][C][Ring1][#C] | c18c2n(c3ccc7cc13)CCC2.C48=O.C5(C)=O.CC6.O46.O57 |
17930 | Cc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][Ring2][Ring1][Ring1] | c17nc2ccccc2[nH]1.Cc1nnc6s1.C4(=O)C5.N46.S57 |
17931 | O=C(COc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | c17cccc8c1.c16ccccc1.c19ccco1.O=C3C5.C49=O.O56.N37.N48 |
17933 | COc1ccc(Cl)cc1C(=O)Nc1cccnc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc(Cl)cc15.c14cccnc1.C25=O.CO3.N24 |
17934 | COC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C] | c16sc5nc1C.c17cccc(Cl)c1.C36=O.C47=O.CO3.N45 |
17935 | CC(=O)NC(Nc1ccccc1F)C(Cl)(Cl)Cl | [C][C][=Branch1][C][=O][N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | c15ccccc1F.C34C(Cl)(Cl)Cl.CC2=O.N23.N45 |
17936 | COc1cc2c(cc1OC)CN(S(C)(=O)=O)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][=C] | c13cc2c(cc14)CN5CC2.S5(C)(=O)=O.CO3.O4C |
17937 | COC(=O)c1c(C)cc(C)n2c1nc1ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c14c(C)cc(C)n2c1nc1ccccc12.C34=O.CO3 |
17938 | COc1cc2c(cc1OC)CN(C(=O)c1ccccc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c14cc2c(cc15)CN3CC2.c16ccccc1.C36=O.CO4.O5C |
17939 | COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | N14CCc2cc6c7cc2C1.c15ccc8cc1.C48=O.CO5.O6C.O7C |
17941 | CCOC(=O)c1ccccc1C1=NCCc2cc(OC)c(OC)cc21 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=C] | c17ccccc1C1=NCCc2cc5c6cc21.C37=O.CC4.O34.O5C.O6C |
17942 | CC(=O)Nc1nc(-c2cc3ccc(O)cc3oc2=O)cs1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][=C][S][Ring1][P] | c16cc2ccc(O)cc2oc1=O.c15nc6cs1.CC4=O.N45 |
17943 | Cc1csc(-c2cc3ccc(O)cc3oc2=O)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][=N][Ring1][P] | c14cc2ccc(O)cc2oc1=O.Cc1csc4n1 |
17944 | NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][N][=O] | c13cc2cc(Cl)cc(Cl)c2oc1=O.NC3=O |
17950 | O=C(Nc1ccccn1)c1cc2c(ccc3ccccc32)oc1=O | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][Ring1][=C][=O] | c16cc2c(ccc3ccccc32)oc1=O.c15ccccn1.O=C46.N45 |
17954 | CNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][N][=O] | c14cc2cc(Cl)cc(Cl)c2oc1=O.C34=O.CN3 |
17955 | Cc1ccc(OCC(=O)Nc2ccccn2)c(C)c1 | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.c16ccccn1.C4C3=O.O45.N36 |
17956 | Cc1ccc(OCC(=O)Nc2ccncc2)c(C)c1 | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.c16ccncc1.C4C3=O.O45.N36 |
17957 | O=C(COc1ccccc1Cl)Nc1cccnc1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc1Cl.c15cccnc1.O=C2C3.O34.N25 |
17958 | CSc1nc(N2CCOCC2)c2ccccc2n1 | [C][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S] | c14nc3c2ccccc2n1.N13CCOCC1.CS4 |
17959 | CCOC(=O)c1cnn(-c2ncnc3sc(CC)cc23)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][C][C][=N][C][=N][C][S][C][Branch1][Ring1][C][C][=C][C][Ring1][O][=Ring1][#Branch1][C][=Ring1][S][N] | c18ncnc2sc7cc12.c16cnn8c1N.C46=O.CC5.O45.C7C |
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