ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
20164 | COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2)c(O)c1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][O][C] | c13ccc7c(O)c16.c17n[nH]c(C)c14.c15ccccc1.CO3.O45.O6C |
20165 | COC(=O)c1sc(NC(=O)COc2ccccc2OC)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=Ring2][Ring1][C][C] | c19sc8nc1C.c16ccccc17.C4(=O)C5.C39=O.CO3.N48.O56.O7C |
20167 | Cc1cccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C] | S4(=O)(=O)c1ccccc1.Cc1cccc5c1C.C3C(N)=O.N345 |
20168 | CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)c(Cl)c1.C2(=O)C3.S4(C)(=O)=O.N345.CN2 |
20169 | COc1ccc(Cc2nc(-c3ccncc3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c15nc7no1.c17ccncc1.CO4.C56 |
20172 | COc1cc(OC)cc(C(=O)N(C(C)C)C(C)C)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][Ring1][P] | c13cc4cc7c1.C27=O.N256.C5(C)C.C6(C)C.CO3.O4C |
20173 | O=C1C=C(c2ccccc2)OC(c2ccccc2)O1 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][C] | O=C1C=C(c2ccccc2)OC3O1.c13ccccc1 |
20174 | O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.c14ccc(F)c(Cl)c1.N34 |
20175 | C=CCN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | C=CCN1C(=O)C(O)(CC4=O)c2ccccc21.c14cccc3c1.O3C |
20176 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c16ccc8cc1.N15CCOCC1.C47=O.C58=O.N46 |
20179 | CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][C][Ring1][=Branch1] | c17c5sc2c1CCCC2.c16cccs1.CN3C.C37=O.C46=O.N45 |
20180 | COC(=O)COc1ccc(=O)n(-c2ccccc2)n1 | [C][O][C][=Branch1][C][=O][C][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=N] | c15ccc(=O)n6n1.c16ccccc1.C3(=O)C4.CO3.O45 |
20181 | CCOc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][Branch1][C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | n16c(C)nc2c(cnn27)c1=O.c15ccc6cc1.c17ccccc1.CC4.O45 |
20182 | COC(=O)C(C)Oc1ccc2c(C)c(C)c(=O)oc2c1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N] | c15ccc2c(C)c(C)c(=O)oc2c1.C3(=O)C4C.CO3.O45 |
20183 | Cc1nc2c(cnn2-c2ccccc2)c(=O)n1CCc1ccccc1 | [C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2c(cnn25)c(=O)n13.c15ccccc1.c14ccccc1.C3C4 |
20184 | Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccncc1 | [C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1nc2c(cnn23)c(=O)n14.c13ccccc1.c14ccncc1 |
20185 | CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c18cnn9c16.c19ccccc1.c17ccco1.C38=O.C47=O.CC5.O35.N46 |
20186 | CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 | [C][C][Branch1][C][C][Branch1][C][C][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] | c14ccccc15.CC(C)(C)C2=O.N13CCOCC1.C35=O.N24 |
20188 | O=C(c1ccco1)N1CC2CC(C1)c1cccc(=O)n1C2 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] | N13CC2CC(C1)c1cccc(=O)n1C2.c14ccco1.O=C34 |
20189 | NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 | [N][C][=Branch1][C][=O][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccc(F)cc1.NC(=O)C2.N234.C35 |
20190 | CC(C)NC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C17COc2ccccc2O1.c18ccccc16.CC5C.C38=O.C47=O.N35.N46 |
20191 | COc1cccc2c(=O)c(Br)c(C)[nH]c12 | [C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Branch1][C][C][NH1][C][Ring1][=N][=Ring1][=Branch2] | c13cccc2c(=O)c(Br)c(C)[nH]c12.CO3 |
20192 | COc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12 | [C][O][C][=N][N][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c13nnc4c2ccccc12.c14ccc(C)c(S(N)(=O)=O)c1.CO3 |
20194 | COC(=O)CN(c1ccccc1OC)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc13.C2(=O)C4.S5(C)(=O)=O.N456.CO2.O3C |
20195 | CC(C(=O)NC1CCCC1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1.CC3C2=O.C16CCCC1.S4(C)(=O)=O.N345.N26 |
20196 | CC(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][=C][Ring1][S] | c15cccc7c1.c17nnc6o1.c16ccco1.CC4=O.N45 |
20197 | CCC(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][=C][Ring1][S] | c15cccc7c1.c17nnc6o1.c16ccco1.CCC4=O.N45 |
20198 | COc1ccc(S(=O)(=O)N(C)CCc2ccccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc(S5(=O)=O)cc1.c16ccccn1.N45C.C4C6.CO3 |
20200 | CCCn1c(N(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.c16ccccc1.CCC5.N34C.C36 |
20201 | CCOc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring1][O] | c15cc(C2CC(=O)Nc3cc(C)c(C)cc32)ccc1O.CC4.O45 |
20203 | COc1cc(OC)cc(C(=O)N(C)CCc2ccccn2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c14cc5cc7c1.c18ccccn1.C37=O.N36C.C6C8.CO4.O5C |
20204 | CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.C15CCCC1.C3C2=O.CN34.N25 |
20205 | CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.N12CCCCCC1.C3C2=O.CN34 |
20206 | CC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.CC1CCN3CC1.C3(=O)C4.N45C |
20207 | CCCn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c3nc2c1c(=O)n(C)c(=O)n2C.C14CCCCC1.CCC5.N34 |
20210 | COc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | C6(=O)CC1(O)C(=O)Nc2ccc(C)cc21.c14ccc6c5c1.CO4.O5C |
20211 | CC(Cc1ccccc1)NC(=O)C1CCCNC1=O | [C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=O] | C14CCCNC1=O.c15ccccc1.CC3C5.C24=O.N23 |
20212 | COc1ccc(C(=O)Oc2cccnc2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc7cc16.c15cccnc1.C37=O.CO4.O35.O6C |
20214 | Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | C4(=O)CC1(O)C(=O)N(C)c2ccccc21.Cc1ccc4c(C)c1 |
20216 | COC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][C][C][C][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.C12CCCCC14.CO2.N34 |
20219 | Cc1ccc(C)c(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][=C][Ring2][Ring1][=Branch1] | C4(=O)CC1(O)C(=O)Nc2ccc(C)cc21.Cc1ccc(C)c4c1 |
20220 | CCOc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring1][Branch1] | C6(=O)CC1(O)C(=O)Nc2ccc(C)cc21.c15ccc6cc1.CC4.O45 |
20221 | CCN1C(=O)C(O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(C)cc1C |
20222 | C#CCN1C(=O)C(O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | C#CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(C)cc1C |
20223 | C#CCN1C(=O)C(O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | C#CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13c(C)cc(C)cc1C |
20224 | C#CCN1C(=O)C(O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | C#CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13cc(C)ccc1C |
20225 | O=C(COC(=O)C1CC(=O)N(C2CCCCC2)C1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][O][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C15CC(=O)N7C1.c16ccc(F)cc1.C17CCCCC1.O=C6C4.C35=O.O34 |
20226 | Cc1nnc(C)c2c(C)n(C(C)c3ccccc3)c(C)c12 | [C][C][=N][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][#C] | Cc1nnc(C)c2c(C)n4c(C)c12.c15ccccc1.C45C |
20227 | Cc1ccnc(NC(=O)COc2cc(C)ccc2C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15cc(C)ccc1C.Cc1ccnc6c1.C3(=O)C4.N36.O45 |
20230 | CC(=O)Nc1ccc(NC(=O)CC2CCCCC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc6cc1.C17CCCCC1.C4(=O)C7.CC3=O.N35.N46 |
20231 | NC(=O)C1CCN(C(=O)CC2CCCCC2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | C14CCN3CC1.C15CCCCC1.C3(=O)C5.NC4=O |
20233 | CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c15cccc6c1.c17cccs1.CCC3=O.C47=O.N35.N46 |
20236 | Cc1ccc(OCc2nc(-c3ccccn3)no2)cc1C | [C][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][C] | Cc1ccc5cc1C.c16nc7no1.c17ccccn1.O45.C46 |
20237 | CCOc1ccc(-n2nc3cc(C)c(NC(=O)CC)cc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][=C][C][Ring1][N][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | n18nc2cc7c(C)cc2n1.c16ccc8cc1.C4(=O)CC.CC5.O56.N47 |
20238 | O=C(Oc1cccc2cccnc12)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14cccc2cccnc12.c15ccc2c(c1)OCCO2.O=C35.O34 |
20239 | Cc1ccc(C)c(OCC(=O)Nc2ccccc2CO)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c5c1.c16ccccc17.C4C3=O.O45.N36.C7O |
20240 | CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.c16ccc(F)cc1.CS3(=O)=O.N35.N46 |
20241 | Cc1ccc(C)c(OCC(=O)Nc2cccnc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(C)c5c1.c16cccnc1.C4C3=O.O45.N36 |
20242 | Cc1ccc(CN(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | S5(=O)(=O)c1ccc(C)cc1.Cc1ccc6cc1.C4C(N)=O.N345.C36 |
20243 | Cc1nc2ccccc2c(=O)n1Cc1cccnc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1nc2ccccc2c(=O)n13.c14cccnc1.C34 |
20244 | COc1ccc(NC(=O)COc2cc(C)ccc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc8cc17.c16cc(C)ccc1C.C3(=O)C4.CO5.N38.O46.O7C |
20245 | Cn1c(=O)c2c(n(C)c1=O)n(CC(=O)NC(C)(C)C)c(=O)n2C | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][Branch1][C][C][C][Ring1][Branch2][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][C] | Cn1c(=O)c2c(n5c(=O)n2C)n(C)c1=O.C5C3=O.C4(C)(C)C.N34 |
20246 | O=S(=O)(Nc1ncccn1)c1ccc(-n2cccc2)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O] | O=S3(=O)c1ccc5cc1.c14ncccn1.n15cccc1.N34 |
20248 | CC(O)c1nc2ccccc2n1Cc1ccccc1Cl | [C][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14nc2ccccc2n13.c15ccccc1Cl.CC4O.C35 |
20249 | Cc1cc(=O)oc2cc(OCC(=O)N(C)C)c(Cl)cc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | Cc1cc(=O)oc2cc5c(Cl)cc12.C4C3=O.N3(C)C.O45 |
20250 | CN(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc6cc1.c17ccccc1.CN4C.C34=O.C67=O.O35 |
20251 | COc1ccccc1N(CC(N)=O)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O] | c12ccccc15.C3C(N)=O.S4(C)(=O)=O.N345.CO2 |
20252 | Cc1cccc(N(CC(N)=O)S(C)(=O)=O)c1C | [C][C][=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][Ring1][#C][C] | Cc1cccc4c1C.C2C(N)=O.S3(C)(=O)=O.N234 |
20255 | CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc(Cl)c(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.CS4(=O)=O.C3C2=O.N345.C16CC1.N26 |
20261 | CCOc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c19ccccc1.C38=O.N367.C7(C)C.CC4.O45.C69 |
20262 | Cc1cccc(OCC(=O)N2CCN(C(=O)CC(C)C)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | Cc1cccc6c1.N13CCN4CC1.C4(=O)CC(C)C.C5C3=O.O56 |
20263 | Cc1cccc(OCC(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Branch2] | Cc1cccc7c1.N14CCN5CC1.c18cccnc1.C6C4=O.C58=O.O67 |
20264 | O=C(Cc1ccccc1)N1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.c16ccccc1.c15cccs1.O=C3C6.C45=O |
20265 | CS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C] | N14CCN3CC1.C3(=O)CC5.C15CCCC1.CS4(=O)=O |
20266 | Cc1cccc(OCC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Branch2] | Cc1cccc7c1.N14CCN5CC1.c18ccccc1.C6C4=O.C58=O.O67 |
20267 | O=C(Nc1cccc(NC(=O)c2ccccc2F)c1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | c15cccc6c1.c18ccccc1F.c17ccco1.O=C37.C48=O.N35.N46 |
20268 | COc1ccc(NC(=O)CC2CCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c14ccc6cc15.C17CCCCC1.C3(=O)C7.CO4.N36.O5C |
20269 | Cc1cc(C)c(C(N)=O)c(Nc2cccc(Br)c2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)c5c3n1.c14cccc(Br)c1.C5(N)=O.N34 |
20271 | Cc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5cc1.c17nnnn16.C16CCCCC1.C3(=O)C4.N35.S47 |
20272 | Cc1ccc(C(=O)NCc2cccnc2)cc1Cl | [C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S][Cl] | Cc1ccc5cc1Cl.c16cccnc1.C35=O.N34.C46 |
20273 | COC(=O)c1ccc(C)c(NC(=O)COc2ccc(OC)cc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][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][Ring2][Ring1][Ring2] | c19ccc(C)c8c1.c16ccc7cc1.C4(=O)C5.C39=O.CO3.N48.O56.O7C |
20274 | Cc1ccc(-c2nc(-c3ccncc3)no2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P][Cl] | Cc1ccc4cc1Cl.c14nc5no1.c15ccncc1 |
20275 | CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2F)n1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N] | c16ccccc1F.n15nnc6n1.CC4(C)C.C3(=O)C5.N34 |
20276 | CCc1ccc(OCC(=O)NCc2ccccc2OC)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c19ccccc16.C4C3=O.CC8.O45.N37.C79.O6C |
20277 | c1cc(C2OCC3(CO2)COC(c2ccncc2)OC3)ccn1 | [C][=C][C][Branch2][Ring1][N][C][O][C][C][Branch1][Branch1][C][O][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][Ring1][=C][=C][C][=N][Ring2][Ring1][#Branch1] | C14OCC2(CO1)COC5OC2.c1cc4ccn1.c15ccncc1 |
20278 | CN(C)C(=O)n1cnc(-c2ccccc2)c1-c1ccccc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)n1cnc4c15.c14ccccc1.c15ccccc1.CN3C |
20279 | Cc1cc(-c2ccccc2)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C | [C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][Branch2][=C][N][Ring1][Branch1][N][=Ring1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][N][C] | Cc1cc4c2c3c(cn2n1)c(=O)n(C)c(=O)n3C.c14ccccc1 |
20280 | O=C(c1ccccc1)c1ccc(OC(=O)N2CCOCC2)cc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c17ccc5cc1.c16ccccc1.N14CCOCC1.O=C67.C34=O.O35 |
20281 | Cn1c(=O)c2cn(-c3ccccc3O)cc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2cn4cc2n(C)c1=O.c14ccccc1O |
20282 | Cc1ccc(C(=O)NCC2CCCO2)cc1Cl | [C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C][Cl] | Cc1ccc5cc1Cl.C16CCCO1.C35=O.N34.C46 |
20283 | CC(=O)Nc1ccccc1NC(=O)COc1cc(C)ccc1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | c15cc(C)ccc1C.c16ccccc17.C3(=O)C4.CC2=O.N26.N37.O45 |
20284 | O=C(Nc1ccc2c(c1)COC2=O)c1ccccc1F | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccc2c(c1)COC2=O.c15ccccc1F.O=C35.N34 |
20285 | CCC(OC(=O)c1ccc(NC(C)=O)cc1)C(=O)c1ccccc1 | [C][C][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc5cc1.CCC4C7=O.c17ccccc1.C26=O.C3(C)=O.O24.N35 |
20286 | Cc1ccc(C(=O)Cn2nnc3ccccc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C] | n15nnc2ccccc21.Cc1ccc4cc1C.C4(=O)C5 |
20287 | Cc1sc(NC(=O)CSc2nncn2C)nc1-c1ccccc1 | [C][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=N][C][=Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc5nc17.c16nncn1C.c17ccccc1.C3(=O)C4.N35.S46 |
20288 | CN(CCc1ccccn1)C(=O)c1cccc(F)c1 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14cccc(F)c1.c15ccccn1.CN23.C3C5.C24=O |
20289 | CC(=O)Nc1ccccc1NC(=O)c1ccc(C)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][C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c16ccc(C)c(Cl)c1.c14ccccc15.CC2=O.C36=O.N24.N35 |
20290 | Cc1c(OC(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCC3 | [C][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring1][=Ring1][#Branch1][C][C][C][Ring1][=Branch2] | Cc1c5ccc2c3c(c(=O)oc12)CCC3.c16ccco1.C46=O.O45 |
20291 | Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl | [C][C][=C][C][=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][Ring2][Ring1][C][Cl] | Cc1ccc5cc1Cl.c14ccc6cc1.C35=O.C6(N)=O.N34 |
20292 | CCc1cc(=O)oc2c(C)c(OCC(=O)N(CC)CC)ccc12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][=C][O][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][S] | c18cc(=O)oc2c(C)c5ccc12.C4C3=O.N367.CC8.O45.C6C.C7C |
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