ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
30000 | CCOc1ccc(N(CC(N)=O)S(C)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#C] | c13ccc6cc1.C4C(N)=O.S5(C)(=O)=O.N456.CC2.O23 |
30001 | Cc1cccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | Cc1cccc6c1.c17ccccc1F.C3(=O)C4.S5(C)(=O)=O.N457.N36 |
30002 | COc1ccc(NC(=O)C(C)Sc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c18ccccc1.C3(=O)C6C.CO4.N37.S68.O5C |
30003 | COc1ccc(Cl)cc1C(=O)n1nnc2ccccc21 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | C4(=O)n1nnc2ccccc21.c13ccc(Cl)cc14.CO3 |
30004 | CCc1nnc(NC(=O)c2ccc3ccccc3c2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][Ring2][Ring1][C] | c16ccc2ccccc2c1.c17nnc5s1.C46=O.CC7.N45 |
30006 | CCc1ccccc1N(CC(=O)OC)S(C)(=O)=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.C3C2=O.S4(C)(=O)=O.N345.CC6.O2C |
30007 | O=C(CSc1ccc(Cl)cc1)N1CCOCC1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc(Cl)cc1.N12CCOCC1.O=C2C3.S34 |
30008 | CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1F | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.c16ccccc1.CS4(=O)=O.C3C2=O.N345.N26 |
30009 | COc1ccc(NC(=O)Nc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c15ccc7cc16.c18ccccc1.C34=O.CO5.N37.N48.O6C |
30010 | COc1ccccc1CNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N] | c14ccccc17.C16CC(=O)N8C1.c18ccc(C)cc1.C36=O.CO4.C57.N35 |
30011 | CS(=O)(=O)N(CC(N)=O)c1ccc(Cl)c(C(F)(F)F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | c14ccc(Cl)c5c1.CS3(=O)=O.C2C(N)=O.C5(F)(F)F.N234 |
30012 | O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1Br | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccc2c(c1)OCCO2.c15ccccc1Br.O=C35.N34 |
30014 | COC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(Cl)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
30016 | CCN(CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1OC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C] | S5(=O)(=O)c1ccc(Cl)c(Cl)c12.N345.CC3.C4C.O2C |
30017 | Cc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.c17ccccc1F.C4C3=O.S5(C)(=O)=O.N456.N37 |
30018 | CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1F.c15ccccc1.CS4(=O)=O.C3C2=O.N345.N26 |
30019 | COc1ccc(OCC(=O)NCc2ccccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c18ccccc1C.C4C3=O.CO5.O46.N37.C78 |
30021 | CN(C)c1ccc(C(=O)OCC(=O)c2ccccc2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17ccccc1.C4C7=O.CN5C.C36=O.O34 |
30022 | Cc1ccccc1OCC(=O)NC1CC2CCC1C2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] | Cc1ccccc15.C16CC2CCC1C2.C4C3=O.O45.N36 |
30023 | CCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c16cccc7c1.c15nccs1.CCC3=O.C47=O.N36.N45 |
30024 | CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][S][C][Branch1][C][C][=C][Ring1][P][C] | c17c6sc(C)c1C.c18ccc(C)o1.C4(=O)CC8.C37=O.CC5.O35.N46 |
30025 | NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 | [N][C][=Branch1][C][=O][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccc(Cl)cc1.NC(=O)C2.N234.C35 |
30026 | COc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c17nc2cc5c6cc2c(=O)o1.c14ccc7cc1.CO4.O5C.O6C |
30027 | CC(=O)Oc1cccc(C(=O)Nc2cc(C)ccc2O)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][=C][Ring1][P] | c16cc(C)ccc1O.c15cccc7c1.CC3=O.C47=O.O35.N46 |
30028 | O=C1c2ccccc2N2C(=O)c3ccccc3C2N1Cc1ccco1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][Ring2][Ring1][C][C][C][=C][C][=C][O][Ring1][Branch1] | O=C1c2ccccc2N2C(=O)c3ccccc3C2N14.c15ccco1.C45 |
30031 | CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][#C][C] | c16nc2ccccc2[nH]1.c15cccc6c1C.CC4=O.N45 |
30032 | O=C(Nc1ccc(O)cc1)c1ccc(NC(=O)c2ccco2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc(O)cc1.c18ccc6cc1.c17ccco1.O=C38.C47=O.N35.N46 |
30033 | COc1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14ccc5cc1.c16ccc7cc1.C36=O.C7(C)=O.CO4.N35 |
30034 | Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1ccccc15.c14ccccc16.N13CCOCC1.C25=O.C36=O.N24 |
30035 | Cc1cc(C)c(NC(=O)C(C)Sc2ncn[nH]2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=N][NH1][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c5c(C)c1.C3(=O)C4C.c16ncn[nH]1.N35.S46 |
30036 | COc1ccc(-c2nn(CC(=O)N(C)C)c(=O)c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c17nn6c(=O)c2ccccc12.c15ccc7cc1.C6C4=O.N4(C)C.CO5 |
30037 | O=C(Nc1ccc(O)cc1)c1ccc(NC(=O)c2cccs2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc(O)cc1.c18ccc6cc1.c17cccs1.O=C38.C47=O.N35.N46 |
30040 | c1ccc(OCc2nc(-c3ccccn3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c1ccc5cc1.c16nc7no1.c17ccccn1.O45.C46 |
30041 | CC1=C(C(=O)N2CCOCC2)C(c2ccc(F)cc2)NC(=O)N1 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C4NC(=O)N1.c14ccc(F)cc1.N13CCOCC1 |
30042 | Cc1nnc(SCC(=O)Nc2ccc3ccccc3c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][Ring2][Ring1][Ring2] | c16ccc2ccccc2c1.Cc1nnc7s1.C5C4=O.S57.N46 |
30043 | Cc1nnc(SCC(=O)c2ccc3ccccc3c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][Ring2][Ring1][Ring1] | c15ccc2ccccc2c1.Cc1nnc6s1.C4C5=O.S46 |
30044 | Cn1cnc2c1c(=O)n(Cc1ccc(F)cc1Cl)c(=O)n2C | [C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Ring1][P][C] | Cn1cnc2c1c(=O)n3c(=O)n2C.c14ccc(F)cc1Cl.C34 |
30046 | COc1ccc(OC)c(C(C)NC(=O)c2ccccc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c14ccc5c8c1.c17ccccc1.C68C.C37=O.CO4.O5C.N36 |
30047 | CC(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c16ccc2nc8sc2c1.c17ccccc1.C5C7=O.CC4=O.N46.S58 |
30048 | COc1ccc(C(C)NC(=O)c2ccccc2Cl)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c17ccccc1Cl.C68C.C37=O.CO4.N36.O5C |
30049 | COc1ccc(S(=O)(=O)NC2CC2)cc1Br | [C][O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=N][Br] | c13ccc(S4(=O)=O)cc1Br.C15CC1.CO3.N45 |
30050 | O=C(CSc1ncccn1)Nc1cccc(C(F)(F)F)c1 | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c14cccc5c1.c16ncccn1.O=C2C3.C5(F)(F)F.S36.N24 |
30051 | CC(NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15ccc(Cl)cc1.CC46.C35=O.N34 |
30052 | O=C(CCC(=O)c1ccccc1)Nc1ccccc1F | [O][=C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=C2CCC4=O.c13ccccc1F.c14ccccc1.N23 |
30053 | CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c16cccnc1.CS4(=O)=O.C3C2=O.N345.N26 |
30054 | Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc2c(c1)OCCO2.Cc1ccc5cc1.C46=O.N45 |
30055 | COc1ccc(C(C)NC(=O)c2ccc(Cl)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c17ccc(Cl)cc1.C68C.C37=O.CO4.N36.O5C |
30056 | COc1ccc(OC)c(C(C)NC(=O)c2ccccc2F)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][Ring2] | c14ccc5c8c1.c17ccccc1F.C68C.C37=O.CO4.O5C.N36 |
30057 | CCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c18nc2ccc7cc2s1.C3(=O)C6.C4(C)=O.CC5.O35.S68.N47 |
30058 | COc1ccc(C(C)NC(=O)c2ccc(C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c17ccc(C)cc1.C68C.C37=O.CO4.N36.O5C |
30059 | COc1ccc(C(=O)CCC(=O)Nc2cccc(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.C6(=O)CCC3=O.c15cccc(C)c1.CO4.N35 |
30060 | O=S(=O)(NCc1ccc(Cl)cc1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S3(=O)c1cccs1.c14ccc(Cl)cc1.N23.C24 |
30061 | CCC(=O)Nc1ccc(NC(=O)COc2ccc(OC)cc2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc9cc1.c16ccc7cc1.CCC3=O.C4(=O)C5.N38.N49.O56.O7C |
30062 | Cc1c(N(C)C(=O)c2ccccc2N)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch2][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1][C] | Cc1c4c(=O)n6n1C.c15ccccc1N.c16ccccc1.N34C.C35=O |
30064 | Cc1ccc(NC(=O)CSc2ncccn2)cc1 | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | Cc1ccc5cc1.c16ncccn1.C3(=O)C4.N35.S46 |
30065 | CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.c15ccc8cc1.n18cnnn1.CC7(C)C.C46=O.N45 |
30066 | COc1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][Cl] | c17nc2cc6ccc2o1.c15ccc7cc1Cl.C4(C)=O.CO5.N46 |
30067 | COc1ccc(C(=O)CCC(=O)Nc2ccccc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.C6(=O)CCC3=O.c15ccccc1F.CO4.N35 |
30068 | Cc1ccc(C(=O)CCC(=O)Nc2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.C5(=O)CCC3=O.c14ccccc1F.N34 |
30069 | NC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S] | c15ccc(Cl)c(Cl)c1.C14CCN3CC1.NC4=O.C35=O |
30070 | Cc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c16ccc2c(c1)OCCO2.Cc1cccc5c1.C46=O.N45 |
30072 | Cc1ccccc1C(=O)NC(C)c1ccc2c(c1)OCCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.Cc1ccccc15.C35=O.C46C.N34 |
30073 | Cc1c(N(C)C(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch2][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1][C] | Cc1c4c(=O)n6n1C.c15ccccc1O.c16ccccc1.N34C.C35=O |
30074 | O=S(=O)(c1ccc(Cl)cc1)N1CCCCC1c1cccnc1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S2(=O)c1ccc(Cl)cc1.N12CCCCC13.c13cccnc1 |
30075 | O=S(=O)(c1ccc(F)cc1)N1CCCCC1c1cccnc1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S2(=O)c1ccc(F)cc1.N12CCCCC13.c13cccnc1 |
30076 | COc1ccc(OC)c(C(C)NC(=O)c2ccc(F)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c14ccc5c8c1.c17ccc(F)cc1.C68C.C37=O.CO4.O5C.N36 |
30077 | COc1ccc(C(C)NC(=O)c2cccc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c17cccc(C)c1.C68C.C37=O.CO4.N36.O5C |
30078 | O=C(Nc1cccnc1)c1ccc(OCc2ccccc2)cc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccc5cc1.c16cccnc1.c18ccccc1.O=C37.N36.O45.C48 |
30079 | COc1ccc(C(C)NC(=O)c2ccccc2F)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c17ccccc1F.C68C.C37=O.CO4.N36.O5C |
30081 | COc1ccc(C(C)NC(=O)c2ccccc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c17ccccc1C.C68C.C37=O.CO4.N36.O5C |
30082 | CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][#C] | c15ccc(Cl)c6c1.c17ccco1.CC3=O.C47=O.N35.N46 |
30083 | COC(=O)c1cc(=O)n2c(n1)sc1cc(C)c(C)cc12 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Ring2][=N][Ring1][#Branch1][S][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][N] | c14cc(=O)n2c(n1)sc1cc(C)c(C)cc12.C34=O.CO3 |
30084 | COc1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c16ccc2ccc(=O)oc2c1.c15ccc7cc1.C7(=O)C4.CO5.O46 |
30085 | CC(=O)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | c14cc(C)c2c(c1)oc(=O)c1ccccc12.CC3=O.O34 |
30086 | CC1=C(C(N)=O)C(c2ccc(Cl)cc2Cl)NC(=O)N1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=Branch1][C][=O][N][Ring2][Ring1][C] | CC1=C(C(N)=O)C3NC(=O)N1.c13ccc(Cl)cc1Cl |
30088 | COc1ccc(-c2cc(=O)oc3cc(O)ccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15cc(=O)oc2cc(O)ccc12.c14ccc5cc1.CO4 |
30089 | COC(=O)c1ccc(N(C)CC(F)(F)C(F)F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring1][#C] | c15ccc4cc1.C3C(F)(F)C(F)F.C25=O.N34C.CO2 |
30091 | CC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c14ccc(Cl)cc1Cl.CC3C2=O.N12CCCC1.O34 |
30093 | CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccncc1 | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc(Cl)cc1Cl.c16ccncc1.CC3C2=O.O34.N25.C56 |
30095 | CC1CCN(C2(O)C(=O)Nc3ccc(Br)cc32)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N][C][C][Ring2][Ring1][C] | CC1CCN(C2(O)C(=O)Nc3ccc(Br)cc32)CC1 |
30096 | COc1cc(NC(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14cc7cc8c1.c19cc5cc6c1.C39=O.CO4.N38.O5C.O6C.O7C |
30097 | COc1cc(OC)cc(C(=O)Nc2ccccc2CO)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c16ccccc18.C37=O.CO4.O5C.N36.C8O |
30098 | CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccnc1 | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc(Cl)cc1Cl.c16cccnc1.CC3C2=O.O34.N25.C56 |
30100 | CC(C)OC(=O)c1ccc(OC(=O)c2cccnc2)cc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c17ccc6cc1.c18cccnc1.CC5C.C37=O.C48=O.O35.O46 |
30101 | COc1cc(OC)cc(C(=O)NCc2ccccc2Cl)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c18ccccc1Cl.C37=O.CO4.O5C.N36.C68 |
30102 | CC(=O)Nc1cc(NC(=O)Cc2ccccc2)ccc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Cl] | c15cc6ccc1Cl.c17ccccc1.C4(=O)C7.CC3=O.N35.N46 |
30104 | COc1ccccc1NC(=O)N1CCc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N14CCc2ccccc21.c15ccccc16.C34=O.CO5.N36 |
30106 | CC(=O)Nc1cc(NC(=O)c2cccs2)ccc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][Cl] | c15cc6ccc1Cl.c17cccs1.CC3=O.C47=O.N35.N46 |
30107 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c2ccccc12 | [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][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | C3(=O)C1=C(C)NC(=O)NC15.c15ccc4c2ccccc12.CO3.O4C |
30108 | CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c16ccc(Cl)c(Cl)c1.c14ccccc15.CC2=O.C36=O.N24.N35 |
30109 | Nc1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 | [N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | Nc1ccc(Cl)c4c1.c15ccccc1.C3(=O)C5.N34 |
30110 | Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | Nc1ccccc15.N13CCN4CC1.c14ccc(F)cc1.C35=O |
30111 | Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)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][C][=C][Ring1][Branch2][Cl][N][=Ring2][Ring1][C] | Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1 |
30113 | Cc1ccc(N(CC(=O)NC2CC2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.C4C3=O.S5(C)(=O)=O.N456.C17CC1.N37 |
30114 | Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1] | Cn1c5nnc16.c16cccc(N)c1.c14ccccc1.C3C4=O.S35 |
30115 | Cc1ccc(Cl)cc1NC(=O)C1COc2ccccc2O1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.Cc1ccc(Cl)cc14.C35=O.N34 |
30116 | COc1ccc(C(=O)NC2CC3CCC2C3)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring1][S][O][C] | c15ccc8cc16.C17CC2CCC1C2.C48=O.CO5.N47.O6C |
30118 | COC(C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 | [C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc5cc1.c16ccccc1.C36C2=O.C5(N)=O.CO3.N24 |
30119 | CCc1ccccc1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.N12CCC(C)CC1.C3C2=O.S4(C)(=O)=O.N345.CC6 |
30120 | CCOc1cc(OCC)cc(C(=O)NCc2ccco2)c1 | [C][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | c16cc7cc9c1.c1%10ccco1.C39=O.CC4.O46.O57.C5C.N38.C8%10 |
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