ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
12879 | CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][S] | c15ccc7cc1.c16ccccc1O.CC(C)(C)C3=O.C47=O.N35.N46 |
12880 | COc1ccc2cc(S(=O)(=O)Nc3ccccn3)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c14ccc2cc(S5(=O)=O)ccc2c1.c16ccccn1.CO4.N56 |
12881 | COc1ccc2cc(S(=O)(=O)Nc3ccncc3)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c14ccc2cc(S5(=O)=O)ccc2c1.c16ccncc1.CO4.N56 |
12882 | COc1ccc(Br)cc1S(=O)(=O)n1nc(C)cc1C | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | c12ccc(Br)cc1S(=O)(=O)n1nc(C)cc1C.CO2 |
12883 | Cc1cc(C)n(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][N][=Ring2][Ring1][C] | Cc1cc(C)n(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1 |
12884 | CCn1c(Nc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c3nc2c1c(=O)[nH]c(=O)n2C.c14ccc(C)cc1.CC5.N34 |
12885 | Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCO | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][O][C][C][O] | Cn1c(=O)[nH]c(=O)c2c1nc3n24.N13CCOCC1.C4CO |
12886 | Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=Ring1][P] | Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 |
12887 | O=S(=O)(Nc1cccnc1)c1ccc(Cl)c2ccccc12 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | O=S3(=O)c1ccc(Cl)c2ccccc12.c14cccnc1.N34 |
12888 | Cc1cccc(N2CC(O)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][C][Branch1][C][O][C][N][C][Ring1][#Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1] | N14CC(O)Cn2c1nc1c2c(=O)[nH]c(=O)n1C.Cc1cccc4c1 |
12889 | CCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C | [C][C][C][N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n16c5nc2c1c(=O)[nH]c(=O)n2C.CCC6.N345.C3C.C4C |
12890 | COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12cc(C)c4cc1S3(=O)=O.N13CCOCC1.C4(C)C.CO2 |
12891 | CCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][O][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n16c5nc2c1c(=O)[nH]c(=O)n2C.N15CCOCC1.C3(=O)C6.CC4.O34 |
12892 | CC(C)CCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.N13CCOCC1.CC(C)CC4 |
12893 | CC(C)CCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.CC(C)CC4.C3C(C)C.S35 |
12894 | CC(C)CCn1c(SCC(N)=O)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.CC(C)CC4.C3C(N)=O.S35 |
12895 | CC(C)CCn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.CC(C)CC4.N3(C)C |
12896 | Cc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1 | [C][C][=N][C][=C][C][=C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][=N][=C][Ring1][P][S][Ring2][Ring1][Ring2] | Cc1nc2ccc3nc6sc3c2s1.c17ccco1.C57=O.N56 |
12897 | COC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][S] | C15CCN4CC1.c16ccc(Br)cc1.C4(=O)C6.C35=O.CO3 |
12899 | COc1ccccc1-c1csc(NC(=O)c2ccco2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][=N] | c14ccccc17.c17csc5n1.c16ccco1.C36=O.CO4.N35 |
12901 | CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15nc2c(s1)CCCC2.c16ccc7cc1.CC6=O.C47=O.N45 |
12902 | CCOC(=O)c1sc(NC(=O)c2ccc(C(C)=O)cc2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=N][C][=Ring1][P][C] | c17sc6nc1C.c18ccc9cc1.C37=O.C48=O.C9(C)=O.CC5.O35.N46 |
12903 | Cc1ccc(OCC(=O)Nc2ncccc2C)cc1 | [C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16ncccc1C.C4C3=O.O45.N36 |
12904 | CCC(=O)N1CC(=O)Nc2ccc(C)cc2C1c1ccccc1 | [C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CC(=O)Nc2ccc(C)cc2C1c1ccccc1.CCC3=O |
12905 | Cc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15nc(C#N)c4o1.Cc1ccc5cc1.N14CCOCC1 |
12906 | Cc1ccc(S(=O)(=O)c2nc(C)oc2NCc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][N][=C][Branch1][C][C][O][C][=Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S(=O)(=O)c2nc(C)oc24)cc1.c15ccccc1.N34.C35 |
12907 | Cc1ccc(S(=O)(=O)c2nc(C)oc2N(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][N][=C][Branch1][C][C][O][C][=Ring1][=Branch1][N][Branch1][C][C][C][C][=C][Ring2][Ring1][C] | Cc1ccc(S(=O)(=O)c2nc(C)oc23)cc1.N3(C)C |
12908 | CN(C)c1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 | [C][N][Branch1][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13oc4nc1S(=O)(=O)c1ccccc1.c14ccccc1.CN3C |
12909 | Cc1nc(S(=O)(=O)c2ccccc2)c(NCc2ccccc2)o1 | [C][C][=N][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=Branch1] | Cc1nc(S(=O)(=O)c2ccccc2)c4o1.c15ccccc1.N34.C35 |
12910 | CNc1oc(C)nc1S(=O)(=O)c1ccccc1 | [C][N][C][O][C][Branch1][C][C][=N][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12oc(C)nc1S(=O)(=O)c1ccccc1.CN2 |
12911 | Cc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16ccc7cc1.C4C3=O.C7(N)=O.O45.N36 |
12912 | N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCOCC1 | [N][#C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | N#Cc1nc4oc13.c14ccc(Cl)cc1.N13CCOCC1 |
12913 | CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1-2 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][Ring1][S] | c15ccc2c(c1)S(=O)(=O)c1cc6ccc1-2.CC3=O.C4(C)=O.N35.N46 |
12916 | COc1ccc(CCNC(=O)C2CCCNC2=O)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.C17CCCNC1=O.C8C6.C37=O.CO4.N36.O5C |
12917 | COC(=O)c1ncn2c1C(=O)OC(COc1ccccc1)C2 | [C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C] | c16ncn2c1C(=O)OC7C2.c15ccccc1.C36=O.CO3.C47.O45 |
12918 | NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl | [N][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] | c14cc(S3(=O)=O)ccc1Cl.N13CCOCC1.NC4=O |
12920 | CC(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P] | c15ccc4cc1.n16nc(C)cc1C.C3(=O)C6.CC5=O.N34 |
12921 | CC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][#C] | c15ccc6cc1.c17ccnn1C.CC3=O.C47=O.N35.N46 |
12922 | NS(=O)(=O)c1ccc(NC(=O)C2CCCNC2=O)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=O][C][=C][Ring1][S] | NS(=O)(=O)c1ccc4cc1.C15CCCNC1=O.C35=O.N34 |
12925 | COC(=O)C1=C(C)NC(=O)NC1c1ccccc1F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C2(=O)C1=C(C)NC(=O)NC13.c13ccccc1F.CO2 |
12927 | CC(C)CC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C] | c15ccc2oc6nc2c1.CC(C)CC4=O.c16ccncc1.N45 |
12928 | COc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2cc7c(=O)oc2c1.c16ccccc1.C47=O.CO5.N46 |
12930 | COc1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=O)oc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2cc7c(=O)oc2c1.c16ccc(C)cc1.C47=O.CO5.N46 |
12934 | CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S] | S7(=O)(=O)c1cccc8c1.c19ccccc1.N457.C38=O.CC4.C5C.N36.C69 |
12935 | Nc1ccc(C(=O)Nc2nc3cc(N)ccc3s2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c15nc2cc(N)ccc2s1.Nc1ccc6cc1.C46=O.N45 |
12936 | Nc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15nc2ccccc2s1.Nc1ccc6cc1.C46=O.N45 |
12937 | COc1cc(N)cc2sc(NC(=O)c3ccc(N)cc3)nc12 | [C][O][C][=C][C][Branch1][C][N][=C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][Ring2][=Ring1][#C] | c15cc(N)cc2sc6nc12.c17ccc(N)cc1.C47=O.CO5.N46 |
12938 | Cc1cc2sc(NC(=O)c3ccc(N)cc3)nc2cc1N | [C][C][=C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][N] | Cc1cc2sc5nc2cc1N.c16ccc(N)cc1.C46=O.N45 |
12940 | Cc1ccc(NC(=O)c2ccco2)cc1Br | [C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][Br] | Cc1ccc4cc1Br.c15ccco1.C35=O.N34 |
12941 | CSc1nnc2c(n1)OC(c1ccncc1)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | c13nnc2c(n1)OC4Nc1ccccc1-2.c14ccncc1.CS3 |
12942 | CSc1nnc2c(n1)OC(C)(C)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | c13nnc2c(n1)OC(C)(C)Nc1ccccc1-2.CS3 |
12943 | Cc1cc(=O)n(C(=O)c2ccccc2)c(=O)n1C(=O)c1ccccc1 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(=O)n(C3=O)c(=O)n1C4=O.c13ccccc1.c14ccccc1 |
12944 | COc1ccc(C2OC(=O)C(C)(C)C(=O)C2(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][C][O][C] | C15OC(=O)C(C)(C)C(=O)C1(C)C.c13ccc5cc14.CO3.O4C |
12945 | CC(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][=C][S][Ring1][S] | c16cc2ccccc2oc1=O.c15nc6cs1.CC4=O.N45 |
12946 | N#CCc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 | [N][#C][C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][=C][S][Ring1][P] | c15cc2cc(Br)ccc2oc1=O.c14nc5cs1.N#CC4 |
12949 | O=c1cccc(-c2ccc(Br)cc2)o1 | [O][=C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][=N] | O=c1cccc3o1.c13ccc(Br)cc1 |
12950 | O=C(NCc1ccccn1)c1ccc(Br)cc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c15ccccn1.O=C24.N23.C35 |
12951 | CCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][S][C][Branch1][C][C][=C][Ring1][#C][C] | c18c6sc(C)c1C.c17ccnn1C.C38=O.C47=O.CC5.O35.N46 |
12952 | COc1cccc(NC(=O)c2c(Br)cnn2C)c1 | [C][O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][=C][Ring1][S] | c14cccc5c1.c16c(Br)cnn1C.C36=O.CO4.N35 |
12953 | Cn1nccc1C(=O)Nc1ccc(Cl)cc1Cl | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c13ccc(Cl)cc1Cl.Cn1nccc14.C24=O.N23 |
12954 | Cn1ncc(Br)c1C(=O)NCc1ccccc1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1ncc(Br)c14.c15ccccc1.C24=O.N23.C35 |
12960 | Cc1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | O4C1=NS(=O)(=O)c2ccccc21.Cc1ccc4cc1 |
12962 | CC(=O)c1c(NCc2ccccc2)nc(=O)n(-c2ccccc2)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][Branch1][C] | c15c4nc(=O)n7c1C.c16ccccc1.c17ccccc1.CC5=O.N34.C36 |
12964 | COC(=O)CSc1nnc(-c2ccccc2OC)o1 | [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] | c17ccccc14.c16nnc7o1.C3(=O)C5.CO3.S56.O4C |
12967 | CCOC(=O)c1csc(NC(=O)c2ccc(C(C)=O)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=N][Ring1][P] | c18ccc9cc1.c17csc6n1.C37=O.C48=O.C9(C)=O.CC5.O35.N46 |
12968 | CCOC(=O)c1csc(NC(=O)c2ccccc2Cl)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][#C] | c18ccccc1Cl.c17csc6n1.C37=O.C48=O.CC5.O35.N46 |
12969 | CCOC(=O)c1csc(NC(=O)c2cccc(OC)c2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring1][S] | c19cccc6c1.c18csc7n1.C38=O.C49=O.CC5.O35.N47.O6C |
12970 | CC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=Ring1][#C][C] | c15sc4nc1C.c16ccccc1Cl.CC5=O.C36=O.N34 |
12971 | CC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C] | c15sc4nc1C.c16ccc(F)cc1.CC5=O.C36=O.N34 |
12972 | CC(=O)c1sc(NC(=O)c2ccccc2C)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][#C][C] | c15sc4nc1C.c16ccccc1C.CC5=O.C36=O.N34 |
12973 | CC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C] | c15sc4nc1C.c16cccc(C)c1.CC5=O.C36=O.N34 |
12976 | CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C] | c14nc2c(c(=O)[nH]c(=O)n2C)n1C.CC3C.S34 |
12977 | CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][C][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C] | c14nc2c(c(=O)[nH]c(=O)n2C)n1C.CCC3C.S34 |
12978 | CC(O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][C][Branch1][C][O][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C] | c14nc2c(c(=O)[nH]c(=O)n2C)n1C.CC(O)C3.S34 |
12979 | O=C(Nc1ccccc1C(=O)N1CCCCC1)Oc1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc17.N14CCCCC1.c15ccccc1.O=C23.C47=O.N36.O25 |
12980 | CCOC(=O)Nc1ccccc1C(=O)N1CCCCC1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c16ccccc17.N14CCCCC1.C23=O.C47=O.CC5.O25.N36 |
12981 | COC(=O)Nc1ccccc1C(=O)N1CCCCC1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c15ccccc16.N14CCCCC1.C23=O.C46=O.CO2.N35 |
12982 | Cc1cc(C)n2cc(CSc3nc4ccccc4[nH]3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][C][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2cc6nc2n1.c17nc2ccccc2[nH]1.C56.S57 |
12983 | COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc(S6(=O)=O)cc1.c17ccc2c(c1)OCO2.CO4.N56.C57 |
12984 | Cc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1ccc5cc1S3(=O)=O.c14ccccn1.C5(C)C.N23.C24 |
12985 | COc1ccc(S(=O)(=O)N=c2cc(C)cc[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][C][=C][Branch1][C][C][C][=C][NH1][Ring1][#Branch1][C][=C][Ring1][P] | c13ccc(S(=O)(=O)N=c2cc(C)cc[nH]2)cc1.CO3 |
12986 | CCOC(=O)N1CCN(c2cc3cc(OC)ccc3oc2=O)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O][C][C][Ring2][Ring1][Ring1] | c18cc2cc7ccc2oc1=O.N15CCN8CC1.C45=O.CC6.O46.O7C |
12989 | CC(=O)Nc1nonc1C(=O)N1CCC(C)CC1 | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | N13CCC(C)CC1.c14nonc15.CC2=O.C35=O.N24 |
12991 | Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1 | [C][N][N][=N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][#C][=N][Ring2][Ring1][Ring2] | c17ccc5cc1.c16ccccc1F.Cn1nnc7n1.O45.C46 |
12993 | O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1] | n15nnc7n1.c17ccccc1.c16ccco1.O=C3C5.N34.C46 |
12994 | O=C(CSc1nc2ccccc2[nH]1)c1ccc(O)cc1O | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c15nc2ccccc2[nH]1.c14ccc(O)cc1O.O=C4C3.S35 |
12996 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(OC)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)N(C)C(=O)NC15.c15ccc3c4c1.CO2.O3C.O4C |
12997 | O=C(Nc1c(-c2ccccc2)nc2ncccn12)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][C][=C][N][Ring1][#C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c6nc2ncccn12.c16ccccc1.c15ccccc1.O=C35.N34 |
12998 | COC(=O)C1=C(C)NC(=O)NC1c1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C2(=O)C1=C(C)NC(=O)NC13.c13ccccc1Cl.CO2 |
12999 | CCN(CC)c1ncc2c(n1)CC(c1ccco1)CC2=O | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][=O] | c15ncc2c(n1)CC6CC2=O.c16ccco1.N345.CC3.C4C |
13000 | COc1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][S][C][Branch1][C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc2sc(C)nc2c1.c15ccc7cc1.C47=O.CO5.N46 |
13001 | CCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][C][C][=C][C][C][Ring1][=Branch1] | C2(=O)C1=C(C)NC(=O)NC14.C14CC=CCC1.CC3.O23 |
13002 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13ccccc1F.CO2 |
13003 | Cc1cccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][C][Ring1][#C][=C][Ring2][Ring1][Branch1] | Cc1cccc5c1.N15CCN4CC1.c14nnc6s1.C6(F)(F)F |
13004 | O=C(Nn1cnnc1)c1sc2ccccc2c1Cl | [O][=C][Branch1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c13sc2ccccc2c1Cl.O=C3Nn1cnnc1 |
13005 | O=C(COc1cccc2cccnc12)N1CCc2ccccc2C1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | c15cccc2cccnc12.N13CCc2ccccc2C1.O=C3C4.O45 |
13006 | Cc1cn(C(=O)c2cccc(Br)c2)c(C)n1 | [C][C][=C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Branch1][C][C][=N][Ring1][#C] | Cc1cn(C3=O)c(C)n1.c13cccc(Br)c1 |
13007 | Cn1c(=O)n(C)c2cc(NC(=O)c3cccs3)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][Ring1] | Cn1c(=O)n(C)c2cc5ccc21.c16cccs1.C46=O.N45 |
13008 | Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | Cn1c(=O)n(C)c2cc5ccc21.c16ccccc1.C46=O.N45 |
13009 | O=C(c1sc2ccccc2c1Cl)N1CCOCC1 | [O][=C][Branch1][#C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c14sc2ccccc2c1Cl.N13CCOCC1.O=C34 |
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