ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1933933 | COc1ccc(NC(=O)CCn2cnc(C)c(C)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring2] | n16cnc(C)c(C)c1=O.c14ccc5cc1.C3(=O)CC6.CO4.N35 |
1933934 | Cc1ncn(CC(O)COc2cc(Cl)ccc2Cl)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring2][C] | Cc1ncn5c(=O)c1C.c14cc(Cl)ccc1Cl.C5C(O)C3.O34 |
1933935 | Cc1ncn(CC(O)COc2ccccc2C(C)C)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][C] | Cc1ncn5c(=O)c1C.c14ccccc16.C5C(O)C3.C6(C)C.O34 |
1933936 | Cc1ccc(OCC(O)Cn2cnc(C)c(C)c2=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | n15cnc(C)c(C)c1=O.Cc1ccc4c(C)c1.C3C(O)C5.O34 |
1933937 | Cc1ncn(CCC(=O)Nc2ccccc2)c(=O)c1C | [C][C][N][=C][N][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C] | Cc1ncn5c(=O)c1C.c14ccccc1.C5CC3=O.N34 |
1933938 | Cc1cnc(C(C)(C)NC(=O)CNC(=O)c2cccc(F)c2)s1 | [C][C][=C][N][=C][Branch2][Ring1][=C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch1] | c17cccc(F)c1.Cc1cnc8s1.C58(C)C.C3(=O)C6.C47=O.N35.N46 |
1933939 | O=C(C1CCOCC1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1 | [O][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][S] | N13CCOC6C1.c16ccc5cc1.C14CCOCC1.C5(F)(F)F.O=C34 |
1933942 | CC(C)c1nnsc1CNC(=O)c1cc(-c2ccccn2)n[nH]1 | [C][C][Branch1][C][C][C][N][=N][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][NH1][Ring1][O] | c16nnsc17.c15cc8n[nH]1.c18ccccn1.CC6C.C35=O.C47.N34 |
1933944 | CCc1cc(C(=O)N2CCC(C(=O)OC)CC2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][NH1][N][=Ring1][P] | N14CCC6CC1.c17cc5[nH]n1.C45=O.C36=O.CC7.O3C |
1933945 | Cc1noc(CCC(=O)N2CCC(OCc3ccccc3)CC2)n1 | [C][C][=N][O][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=N][Ring2][Ring1][#Branch1] | N14CCC6CC1.Cc1noc7n1.c18ccccc1.C7CC4=O.O56.C58 |
1933946 | NC(=O)c1cnc(NC(=O)Cc2ccc(-n3cnnn3)cc2)s1 | [N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][S][Ring2][Ring1][Ring2] | c17ccc8cc1.c16cnc5s1.n18cnnn1.C4(=O)C7.NC6=O.N45 |
1933947 | Cc1ccsc1CNC(=O)CSc1nnc(-c2ccccc2)o1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | Cc1ccsc16.c17nnc8o1.c18ccccc1.C3(=O)C5.C46.N34.S57 |
1933948 | O=C(NCCCO)C1CCN(C(=O)COc2ccccc2)CC1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | C18CCN4CC1.c16ccccc1.C7CCO.C4(=O)C5.O=C38.N37.O56 |
1933949 | CCN(CCO)C(=O)C1CCN(C(=O)COc2ccccc2)CC1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | C19CCN4CC1.c16ccccc1.C4(=O)C5.N378.C8CO.C39=O.CC7.O56 |
1933950 | CC(CO)NC(=O)CCc1nc2ccccc2n1-c1ccccc1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2n16.c16ccccc1.C3(=O)CC5.CC4CO.N34 |
1933951 | COc1ccc(OC)c(CC(=O)NCc2ccnn2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc5c8c1.c17ccnn1C.C8C3=O.CO4.O5C.N36.C67 |
1933952 | CCCOc1ccc(CNc2nc(C)cc(C)n2)cc1OC | [C][C][C][O][C][=C][C][=C][Branch1][P][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][S][O][C] | c14ccc8cc15.c17nc(C)cc(C)n1.CCC3.O34.C68.N67.O5C |
1933953 | Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)sc1C | [C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][S][C][=Ring1][P][C] | Cc1cc5sc1C.c14nnc6s1.C6(F)(F)F.C35=O.N34 |
1933954 | CCc1oc2ccccc2c1CN(C)c1ncnc2[nH]cnc12 | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][N][Branch1][C][C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1] | c15oc2ccccc2c16.c14ncnc2[nH]cnc12.N34C.CC5.C36 |
1933955 | CCN(CC1COc2ccccc2O1)C(=O)CCn1ccccc1=O | [C][C][N][Branch1][S][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] | C17COc2ccccc2O1.n16ccccc1=O.C3(=O)CC6.N345.CC4.C57 |
1933956 | CN(Cc1cccnc1)S(=O)(=O)Cc1cccc(C#N)c1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2] | c15cccc(C#N)c1.c14cccnc1.S3(=O)(=O)C5.CN23.C24 |
1933957 | N#Cc1cccc(CS(=O)(=O)N2CCCC2C(=O)NC2CC2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch1] | N#Cc1cccc7c1.N14CCCC16.C7S4(=O)=O.C36=O.C15CC1.N35 |
1933958 | Cc1cc(-n2c(C)cc(C(=O)NCCN3CCOCC3)c2C)no1 | [C][C][=C][C][Branch2][Ring1][=N][N][C][Branch1][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P][C][=N][O][Ring2][Ring1][#Branch1] | n18c(C)cc7c1C.Cc1cc8no1.N16CCOCC1.C47=O.C5C6.N45 |
1933959 | Cc1cc(-n2c(C)cc(C(=O)NCC(C)N3CCOCC3)c2C)no1 | [C][C][=C][C][Branch2][Ring2][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=N][O][Ring2][Ring1][Branch2] | n18c(C)cc7c1C.Cc1cc8no1.N16CCOCC1.C5C6C.C47=O.N45 |
1933960 | Cc1cc(C(=O)OCc2ccccn2)c(C)n1Cc1ccccn1 | [C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cc5c(C)n16.c17ccccn1.c18ccccn1.C35=O.O34.C47.C68 |
1933961 | CN(CC(=O)OCc1cnn(C)c1)C(=O)c1cccs1 | [C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c17cnn(C)c1.c16cccs1.C5C2=O.CN35.C36=O.O24.C47 |
1933962 | COc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][F] | c15ccc7cc1F.N14CCN6CC1.c18c(C)noc1C.C47=O.CO5.C68 |
1933963 | CC1(C)CN(Cc2nc(-c3ccccc3OC(F)F)no2)CCO1 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][=Branch2][C][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=N][O][Ring1][#C][C][C][O][Ring2][Ring1][#Branch1] | CC1(C)CN5CCO1.c17ccccc14.c16nc7no1.O4C(F)F.C56 |
1933964 | CC(C)OCC(O)CN1CCN(Cc2ccc(F)cc2Cl)CC1 | [C][C][Branch1][C][C][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] | c17ccc(F)cc1Cl.N15CCN6CC1.C4C(O)C5.CC3C.O34.C67 |
1933968 | O=C(NCCO)c1cccc(NC(=O)C2CCCCC2)c1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C] | c18cccc6c1.C17CCCCC1.O=C38.C5CO.C47=O.N35.N46 |
1933970 | Cc1ccc2[nH]nc(C(=O)Nc3ccncc3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2[nH]nc6c2c1.c15ccncc1.C46=O.N45 |
1933971 | Cc1ccc2[nH]nc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | Cc1ccc2[nH]nc7c2c1.c16ncccc1C#N.N15CCN6CC1.C57=O |
1933972 | Cc1ccc2[nH]nc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | Cc1ccc2[nH]nc7c2c1.c16ccc8cc1.N18CCCC1=O.C57=O.N56 |
1933974 | Cc1ccc2[nH]nc(C(=O)NCCc3cccc4cccnc34)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | Cc1ccc2[nH]nc7c2c1.c18cccc2cccnc12.C57=O.C6C8.N56 |
1933975 | Cc1ccc2[nH]nc(C(=O)NCCc3cccnc3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Cc1ccc2[nH]nc6c2c1.c17cccnc1.C46=O.C5C7.N45 |
1933976 | Cc1ccc2[nH]nc(C(=O)NC(c3ccccc3)c3ccccn3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | Cc1ccc2[nH]nc6c2c1.c18ccccc1.c17ccccn1.C46=O.C578.N45 |
1933977 | CC(=O)Nc1nc(C(=O)NC2CCCc3occc32)cs1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][=C][S][Ring1][P] | N5C1CCCc2occc21.c16nc7cs1.CC4=O.C57=O.N46 |
1933978 | CCN(CCO)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C] | c19cccc7c1.C18CCCCC1.N356.C6CO.C39=O.C48=O.CC5.N47 |
1933979 | CCN(CCO)C(=O)c1cc2ccc(C)cc2nc1C | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C] | c16cc2ccc(C)cc2nc1C.N345.C5CO.C36=O.CC4 |
1933980 | CC(O)CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C] | c18cccc6c1.C17CCCCC1.CC(O)C5.C38=O.C47=O.N35.N46 |
1933981 | Cc1ccc2cc(C(=O)NCC(C)O)c(C)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2cc5c(C)nc2c1.C4C(C)O.C35=O.N34 |
1933982 | CC(CO)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C] | c18cccc6c1.C17CCCCC1.CC5CO.C38=O.C47=O.N35.N46 |
1933983 | Cc1ccc2cc(C(=O)NC(C)CO)c(C)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][Branch1][C][C][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2cc5c(C)nc2c1.C4(C)CO.C35=O.N34 |
1933984 | Cc1nn(C)c(C)c1CCNC(=O)c1ccn(-c2ccc(F)cc2)n1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][N] | Cc1nn(C)c(C)c16.c17ccc(F)cc1.c15ccn7n1.C6C4.C35=O.N34 |
1933985 | O=C(CCc1c(F)cccc1F)Nc1ccc(-n2cccn2)cc1 | [O][=C][Branch1][#C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O] | c15c(F)cccc1F.c14ccc6cc1.O=C3CC5.n16cccn1.N34 |
1933986 | Cc1ccc2[nH]nc(C(=O)Nc3ccc(-n4cccn4)cc3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2[nH]nc7c2c1.c16ccc8cc1.n18cccn1.C57=O.N56 |
1933988 | O=C(Nc1ccc(-n2cccn2)cc1)c1ccnc2ccccc12 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15ccnc2ccccc12.c14ccc6cc1.n16cccn1.O=C35.N34 |
1933989 | COc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)c(F)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1] | c15ccc7c(F)c1.c16ccc8nc1.n18nc(C)cc1C.C47=O.CO5.N46 |
1933990 | Cc1nc2cc(NC(=O)NCc3cnn(C)c3)ccc2o1 | [C][C][=N][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][C][=C][Ring1][P][O][Ring2][Ring1][Ring2] | Cc1nc2cc7ccc2o1.c18cnn(C)c1.C45=O.N47.N56.C68 |
1933991 | CC(CNC(=O)N1CCCC(O)C1)COCc1ccccc1 | [C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCCC(O)C1.c17ccccc1.CC(C4)C6.C23=O.N26.O45.C57 |
1933992 | CC(CNC(=O)N1CCC(C(N)=O)CC1)COCc1ccccc1 | [C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCC7CC1.c18ccccc1.CC(C4)C6.C23=O.C7(N)=O.N26.O45.C58 |
1933993 | N#CCCN(Cc1cccnc1)S(=O)(=O)N1CCOCC1 | [N][#C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | N23S(=O)(=O)N1CCOCC1.c14cccnc1.N#CCC2.C34 |
1933994 | CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)N1CCOCC1 | [C][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | N23S(=O)(=O)N1CCOCC1.c14ccc(C#N)cc1.CCC2.C34 |
1933996 | NC(=O)c1cccnc1N1CCN(Cc2cscn2)CC1 | [N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][N] | c15cccnc14.N14CCN3CC1.c16cscn1.NC5=O.C36 |
1933997 | CCCNC(=O)C1CN(Cc2noc(CCC)n2)c2ccccc2O1 | [C][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][=C][C][C][=N][O][C][Branch1][Ring2][C][C][C][=N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1] | C16CN5c2ccccc2O1.c17noc8n1.CCC4.C36=O.C8CC.N34.C57 |
1933999 | Cc1ccsc1CCNC(=O)C1CC(=O)OC12CCCC2 | [C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch1] | C15CC(=O)OC12CCCC2.Cc1ccsc16.C6C4.C35=O.N34 |
1934001 | Oc1cccc(CN2CCCC(c3ccncn3)C2)c1 | [O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][Ring1] | Oc1cccc5c1.N14CCCC6C1.c16ccncn1.C45 |
1934002 | CCCn1nc(C)c(NC(=O)N(CCO)Cc2cccs2)c1C | [C][C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C] | n18nc(C)c7c1C.c19cccs1.CCC8.C34=O.N456.C5CO.N37.C69 |
1934003 | CCc1cc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] | c16cc5cc(=O)[nH]1.N14CCOC7C1.c17ccc(F)cc1.C45=O.CC6 |
1934004 | Cc1nc(-c2cccnc2)ncc1C(=O)N(C)CCc1ccccn1 | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1nc7ncc15.c17cccnc1.c16ccccn1.C35=O.N34C.C4C6 |
1934006 | O=C(NCC(O)c1ccco1)c1cc(-c2ccc(F)cc2)[nH]n1 | [O][=C][Branch1][=C][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][N][=Ring1][N] | c17ccc(F)cc1.c15cc7[nH]n1.c16ccco1.C4C6O.O=C35.N34 |
1934007 | O=C(NCC(O)c1ccco1)c1cc(-c2ccccc2Cl)[nH]n1 | [O][=C][Branch1][=C][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][NH1][N][=Ring1][N] | c17ccccc1Cl.c15cc7[nH]n1.c16ccco1.C4C6O.O=C35.N34 |
1934008 | O=C1CC(C(=O)NCC(O)c2ccco2)c2ccc(F)cc2N1 | [O][=C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][=Branch1] | O=C1CC(C3=O)c2ccc(F)cc2N1.c15ccco1.C4C5O.N34 |
1934009 | Cc1nc2cc(F)ccc2cc1C(=O)NCC(O)c1ccco1 | [C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | Cc1nc2cc(F)ccc2cc15.c16ccco1.C4C6O.C35=O.N34 |
1934011 | O=C(COc1cccc(N2CCCC2=O)c1)NCC(O)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | c15cccc8c1.N18CCCC1=O.c17ccco1.O=C3C4.C6C7O.O45.N36 |
1934012 | O=C(NCC(O)c1ccco1)c1cnn(Cc2ccccc2)c1 | [O][=C][Branch1][=C][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N] | c15cnn6c1.c18ccccc1.c17ccco1.C4C7O.O=C35.N34.C68 |
1934013 | O=C(CN1C(=O)CSc2ccccc21)NCC(O)c1ccco1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | O=C3CN1C(=O)CSc2ccccc21.c15ccco1.C4C5O.N34 |
1934014 | O=C(NCC(O)c1ccco1)C1CC(=O)N(Cc2ccccc2)C1 | [O][=C][Branch1][=C][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c18ccccc1.c17ccco1.C4C7O.O=C35.N34.C68 |
1934016 | O=C1CN(c2ccc(NC(=O)c3cc(Cl)ccn3)cn2)CCN1 | [O][=C][C][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][C][=N][Ring1][S][C][C][N][Ring2][Ring1][=Branch1] | O=C1CN5CCN1.c15ccc6cn1.c17cc(Cl)ccn1.C47=O.N46 |
1934017 | COCc1ccc(C(=O)N2CCOC(C)(C)C2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][O][Ring1][#C] | N13CCOC(C)(C)C1.c16ccc5o1.C35=O.CO4.C46 |
1934018 | COC(=O)c1ccc(C(=O)NCCCC2CCCCC2)cn1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][C] | c16ccc7cn1.C18CCCCC1.C5CC8.C36=O.C47=O.CO3.N45 |
1934019 | CC(C)(C)c1ccc(CCNC(=O)Cn2ccccc2=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.n15ccccc1=O.CC6(C)C.C3(=O)C5.C7C4.N34 |
1934020 | CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CC1(Cl)Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | CS(=O)(=O)c1ccc2c(c1)CCCN23.C14CC1(Cl)Cl.C34=O |
1934021 | CCCCN(CC(F)(F)F)C(=O)C1CCN(C(=O)C2CC2)CC1 | [C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C17CCN4CC1.C6C(F)(F)F.CCCC5.N356.C37=O.C48=O.C18CC1 |
1934022 | COc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=Branch2][Ring1][=N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | N14CCCc2c8cccc21.c15ccc7c6c1.C47=O.C8(N)=O.CO5.O6C |
1934023 | CC(=O)Nc1cccc(C(=O)N2CCCc3c(C(N)=O)cccc32)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=Branch2][Ring1][=N][=C][Ring2][Ring1][Branch1] | N15CCCc2c8cccc21.c16cccc7c1.CC4=O.C57=O.C8(N)=O.N46 |
1934024 | NC(=O)c1cccc2c1CCCN2C(=O)C1CC1(Cl)Cl | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | c15cccc2c1CCCN23.C14CC1(Cl)Cl.NC5=O.C34=O |
1934025 | NC(=O)c1cccc2c1CCCN2C(=O)c1cc(F)ccc1F | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c14cccc2c1CCCN23.c15cc(F)ccc1F.NC4=O.C35=O |
1934027 | Cc1cc(C)n(CCCNC(=O)c2cc(-c3ccccc3)no2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n7n1.c16cc8no1.c18ccccc1.C7CC5.C46=O.N45 |
1934028 | CC(C)C(NC(=O)CN1CCCCC1=O)c1nc2ccccc2[nH]1 | [C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.N15CCCCC1=O.CC(C)C46.C3(=O)C5.N34 |
1934029 | COc1ccc(CN(C)C(=O)CN2CCCCC2=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14ccc8c5c1.N17CCCCC1=O.C3(=O)C7.N36C.CO4.C68.O5C |
1934030 | CCC(C)C(NC(=O)c1csc(-c2ccc(C)o2)n1)C(=O)OC | [C][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][O][C][=Branch1][C][=O][O][C] | CCC(C)C5C3=O.c16csc7n1.c17ccc(C)o1.C46=O.N45.O3C |
1934031 | COc1ccccc1C(C)NC(=O)CN1CCCCC1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c13ccccc16.N15CCCCC1=O.C2(=O)C5.C46C.CO3.N24 |
1934032 | CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1CCCCC1=O | [C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c15ccc6cc1.N14CCCCC1=O.C6(F)(F)F.C2(=O)C4.CN23.C35 |
1934033 | CCC(C)n1nccc1NC(=O)CN1CCCCC1=O | [C][C][C][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | N15CCCCC1=O.n14nccc13.CCC4C.C2(=O)C5.N23 |
1934034 | Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C(N)=O)c3)cn2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][=N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch2] | Cc1cc(C)n8n1.c18ccc6cn1.c15cccc7c1.C46=O.C7(N)=O.N45 |
1934035 | Cc1ccc(-c2nc(C)c(C(=O)NCCO)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][S][Ring1][N][O][Ring1][P] | c16nc(C)c5s1.Cc1ccc6o1.C35=O.C4CO.N34 |
1934036 | Cc1ccc(-c2nc(C(=O)NCCO)cs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][S][Ring1][O][O][Ring1][S] | Cc1ccc6o1.c16nc5cs1.C35=O.C4CO.N34 |
1934038 | O=C(CN1CCCCC1=O)N=c1sccn1Cc1ccccc1F | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][=C][S][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=C(C3)N=c1sccn12.N13CCCCC1=O.c14ccccc1F.C24 |
1934039 | CNC(=O)c1ccc(CN(C)C(=O)CN2CCCCC2=O)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring1] | c16ccc8cc1.N17CCCCC1=O.C4(=O)C7.C36=O.N45C.CN3.C58 |
1934040 | COc1ccc(Cl)cc1CN(C)C(=O)CN1CCCCC1=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c13ccc(Cl)cc16.N15CCCCC1=O.C2(=O)C5.N24C.CO3.C46 |
1934041 | CN(CCNC(=O)CN1CCCCC1=O)c1ccccc1 | [C][N][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N16CCCCC1=O.c15ccccc1.C2(=O)C6.CN35.C3C4.N24 |
1934042 | O=C(CN1CCCCC1=O)NCc1ccc(C(F)(F)F)cc1 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | N14CCCCC1=O.c15ccc6cc1.O=C2C4.C6(F)(F)F.N23.C35 |
1934043 | Cc1ccc(CNC(=O)CN2CCCCC2=O)cc1F | [C][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][C][F] | Cc1ccc6cc1F.N15CCCCC1=O.C3(=O)C5.C46.N34 |
1934045 | CCC(NC(=O)CN1CCCCC1=O)c1ccc(Cl)cc1 | [C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | N14CCCCC1=O.c15ccc(Cl)cc1.CCC35.C2(=O)C4.N23 |
1934046 | NC(=O)C(NC(=O)CN1CCCCC1=O)c1ccccc1 | [N][C][=Branch1][C][=O][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N14CCCCC1=O.c15ccccc1.NC(=O)C35.C2(=O)C4.N23 |
1934047 | Cc1cc(C)c(NC(=O)CCc2nc(C(C)(C)C)no2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][O][Ring1][=Branch2][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)c4c(C)n1.c15nc6no1.C3(=O)CC5.C6(C)(C)C.N34 |
1934048 | Cc1cc(C)c(NC(=O)CCc2nc(C(C)C)no2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2][C][Branch1][C][C][=N][Ring2][Ring1][Branch1] | Cc1cc(C)c4c(C)n1.c15nc6no1.C3(=O)CC5.C6(C)C.N34 |
1934049 | Cc1cc(C)c(NC(=O)C2COCCO2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][O][C][C][O][Ring1][=Branch1][C][Branch1][C][C][=N][Ring1][P] | Cc1cc(C)c4c(C)n1.C15COCCO1.C35=O.N34 |
1934050 | Cc1cc(C)c(NC(=O)c2ccc(NC(=O)C3CC3C)cc2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][=C][Ring1][=N][C][Branch1][C][C][=N][Ring2][Ring1][Branch2] | Cc1cc(C)c6c(C)n1.c19ccc7cc1.C18CC1C.C49=O.C58=O.N46.N57 |
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