ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
36207 | CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c18nc2ccc9cc2o1.c17ccc%10cc1.C4%10=O.C5(C)=O.CC6.O67.N48.N59 |
36208 | CCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1OC | [C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][=Ring1][=N][C][=C][Ring1][P][O][C] | c15cc2c(=O)c6coc2cc14.c16csc(C)n1.CC5.O4C |
36209 | COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccs1 | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c15ccc6cc17.c18ccco1.c19cccs1.C38=O.C49=O.CO5.N36.N47 |
36210 | COc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)C(C)C | [C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c16cc8ccc19.c17ccccc1.C4(=O)C(C)C.C3(=O)C5.CO6.N38.O57.N49 |
36212 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc4ccccc4c3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c18ccc2nc7oc2c1.c19ccc2ccccc2c1.CC5=O.C69=O.N58.N67 |
36213 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c17ccc2nc6oc2c1.c18ccc(C)c(C)c1.CC4=O.C58=O.N47.N56 |
36214 | CCn1nnc(NC(=O)c2ccc3ccccc3c2)n1 | [C][C][N][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][=N][Ring2][Ring1][C] | c16ccc2ccccc2c1.n17nnc5n1.C46=O.CC7.N45 |
36215 | CCn1nnc(NC(=O)COc2ccc3ccccc3c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | c16ccc2ccccc2c1.n18nnc7n1.C4(=O)C5.CC8.N47.O56 |
36216 | O=C(Nc1ccccc1OC(F)F)c1ccco1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc13.c15ccco1.O3C(F)F.O=C25.N24 |
36217 | O=C(Nc1ccccc1OC(F)F)c1cccs1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][=C][C][=C][S][Ring1][Branch1] | c14ccccc13.c15cccs1.O3C(F)F.O=C25.N24 |
36218 | O=C(Cc1ccccc1)Nc1ccccc1OC(F)F | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F] | c14ccccc13.c15ccccc1.O=C2C5.O3C(F)F.N24 |
36220 | COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c16ccccc15.O5C(F)F.C37=O.CO4.N36 |
36222 | COc1cc(OC)cc(C(=O)Nc2ccccc2OC(F)F)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=C][Ring2][Ring1][Branch1] | c14cc5cc8c1.c17ccccc16.O6C(F)F.C38=O.CO4.O5C.N37 |
36223 | CCn1nnc(NC(=O)C(C)(c2ccccc2)c2ccccc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | n15nnc4n1.C3(=O)C67C.c16ccccc1.c17ccccc1.CC5.N34 |
36224 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(Cl)c3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c17ccc2nc6oc2c1.c18ccc(C)c(Cl)c1.CC4=O.C58=O.N47.N56 |
36225 | CC(=O)Nc1ccc2nc(NC(=O)Cc3ccccc3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6oc2c1.c18ccccc1.C5(=O)C8.CC4=O.N47.N56 |
36226 | CCC(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][#C] | c15nc2ccc6cc2s1.N16CCOCC1.CCC4=O.N45 |
36227 | COc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c17nc2ccc8cc2o1.c16ccc9cc1.C49=O.C5(C)=O.CO6.N47.N58 |
36229 | CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3Cl)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6oc2c1.c18ccccc1Cl.CC4=O.C58=O.N47.N56 |
36230 | O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15nc2ccc6cc2s1.N16CCOCC1.c17cccnc1.O=C47.N45 |
36231 | O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccs1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][#C][C][=C][C][=C][S][Ring1][Branch1] | c15nc2ccc6cc2s1.N16CCOCC1.c17cccs1.O=C47.N45 |
36232 | CCn1nnc(NC(=O)COc2ccc(C)c(C)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | c15ccc(C)c(C)c1.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36233 | CCn1nnc(NC(=O)c2ccc(C)c(Cl)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][S] | c15ccc(C)c(Cl)c1.n16nnc4n1.C35=O.CC6.N34 |
36234 | CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c19ccc2nc8oc2c1.c17ccccc1.C5(=O)C6.CC4=O.N49.N58.O67 |
36235 | CCn1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | c15ccc8cc1.n17nnc6n1.C3(=O)C4.C8(C)(C)C.CC7.N36.O45 |
36236 | CCCn1nnc(NC(=O)c2ccc(C)cc2C)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][Ring1][S] | c15ccc(C)cc1C.n16nnc4n1.CCC6.C35=O.N34 |
36239 | CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1] | c13cc5ccc14.N14CCCC1.CCC2=O.C5(F)(F)F.N23 |
36240 | CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][P] | S5(=O)(=O)c1ccc6cc1.c17ccc(C)cc1C.CC3=O.C47=O.N35.N46 |
36241 | Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | c14ccc(S(N)(=O)=O)cc1.Cc1ccc5c(C)c1.C35=O.N34 |
36242 | CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1] | c13cc5ccc14.N14CCCCC1.C5(F)(F)F.CC2=O.N23 |
36243 | O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17nn2cnnc2s1.c15cccc7c1.c16ccc(F)cc1.O=C46.N45 |
36244 | O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c17nn2cnnc2s1.c15cccc7c1.c16cccc(F)c1.O=C46.N45 |
36245 | O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccccc1F | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17nn2cnnc2s1.c15cccc7c1.c16ccccc1F.O=C46.N45 |
36246 | Cc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c18nn2cnnc2s1.Cc1ccc7cc1.c16cccc8c1.C57=O.N56 |
36247 | CC(C)(C)C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C] | c16nn2cnnc2s1.c15cccc6c1.CC(C)(C)C4=O.N45 |
36248 | CC(C)C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C] | c16nn2cnnc2s1.c15cccc6c1.CC(C)C4=O.N45 |
36249 | O=C(Cc1ccccc1)Nc1cccc(-c2nn3cnnc3s2)c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C] | c17nn2cnnc2s1.c15cccc7c1.c16ccccc1.O=C4C6.N45 |
36250 | CC(C)CC(=O)Nc1cccc(-c2nn3cnnc3s2)c1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C] | c16nn2cnnc2s1.c15cccc6c1.CC(C)CC4=O.N45 |
36251 | CCC(=O)Nc1cccc(-c2nn3cnnc3s2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C] | c16nn2cnnc2s1.c15cccc6c1.CCC4=O.N45 |
36252 | Cc1ccccc1C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][=C][Ring1][=C] | c17nn2cnnc2s1.Cc1ccccc16.c15cccc7c1.C46=O.N45 |
36254 | CCc1ccc(OCC(=O)Nc2nnn(C)n2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][P] | c17ccc5cc1.c16nnn(C)n1.C4C3=O.CC7.O45.N36 |
36255 | Cn1nnc(NC(=O)COc2ccccc2Cl)n1 | [C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][P] | c15ccccc1Cl.Cn1nnc6n1.C3(=O)C4.N36.O45 |
36256 | Cn1nnc(NC(=O)c2cc(Br)ccc2Cl)n1 | [C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15cc(Br)ccc1Cl.Cn1nnc4n1.C35=O.N34 |
36257 | Cc1ccc(C(=O)Nc2nnn(C)n2)c(Cl)c1 | [C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][S] | Cc1ccc5c(Cl)c1.c14nnn(C)n1.C35=O.N34 |
36258 | Cn1nnc(NC(=O)c2cccc(Cl)c2Cl)n1 | [C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15cccc(Cl)c1Cl.Cn1nnc4n1.C35=O.N34 |
36259 | Cn1nnc(NC(=O)c2ccc(Br)cc2)n1 | [C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][#C] | c15ccc(Br)cc1.Cn1nnc4n1.C35=O.N34 |
36260 | Cc1cccc(OCC(=O)Nc2nnn(C)n2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][P][C] | Cc1cccc5c1C.c16nnn(C)n1.C4C3=O.O45.N36 |
36261 | Cc1cc(C)cc(OCC(=O)Nc2nnn(C)n2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c16nnn(C)n1.C4C3=O.O45.N36 |
36262 | Cc1ccc(OCC(=O)Nc2nnn(C)n2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16nnn(C)n1.C4C3=O.O45.N36 |
36263 | CC(C)c1ccc(OCC(=O)Nc2nnn(C)n2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][P] | c17ccc5cc1.c16nnn(C)n1.C4C3=O.CC7C.O45.N36 |
36264 | Cc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.c16nnn(C)n1.C4C3=O.O45.N36 |
36265 | CCC(C)c1ccc(OCC(=O)Nc2nnn(C)n2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][P] | c17ccc5cc1.c16nnn(C)n1.CCC7C.C4C3=O.O45.N36 |
36266 | Cc1cc(C)c(OCC(=O)Nc2nnn(C)n2)c(Cl)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c5c(Cl)c1.c16nnn(C)n1.C4C3=O.O45.N36 |
36267 | Cn1nnc(NC(=O)c2cccc3c(Cl)cccc23)n1 | [C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c16cccc2c(Cl)cccc12.Cn1nnc5n1.C46=O.N45 |
36268 | CCOc1ccc(C(=O)Nc2nnn(C)n2)cc1Cl | [C][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c15ccc7cc1Cl.c16nnn(C)n1.C37=O.CC4.O45.N36 |
36269 | Cn1nnc(NC(=O)c2ccccc2Br)n1 | [C][N][N][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring1][#C] | c15ccccc1Br.Cn1nnc4n1.C35=O.N34 |
36270 | CCOc1ccc(C(=O)Nc2nnn(C)n2)cc1Br | [C][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][#C][Br] | c15ccc7cc1Br.c16nnn(C)n1.C37=O.CC4.O45.N36 |
36271 | CC(C)Oc1ccc(C(=O)Nc2nnn(C)n2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c16nnn(C)n1.CC4C.C37=O.O45.N36 |
36273 | O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c17nn2cnnc2s1.c15ccc7cc1.c16cccc(F)c1.O=C46.N45 |
36274 | O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1cccnc1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17nn2cnnc2s1.c15ccc7cc1.c16cccnc1.O=C46.N45 |
36275 | Cc1nnc2sc(-c3cccc(NC(=O)c4cccs4)c3)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C][=N][N][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cc1nnc2sc8nn12.c18cccc6c1.c17cccs1.C57=O.N56 |
36278 | Cc1nnc2sc(-c3cccc(NC(=O)c4ccccc4)c3)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][=N][N][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2] | Cc1nnc2sc8nn12.c18cccc6c1.c17ccccc1.C57=O.N56 |
36280 | CCn1nnc(NC(=O)COc2cc(C)cc(C)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | c15cc(C)cc(C)c1.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36281 | Cc1nnc2sc(-c3cccc(NC(=O)CC(C)C)c3)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Ring1][=N][=N][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | Cc1nnc2sc6nn12.c16cccc5c1.C4(=O)CC(C)C.N45 |
36282 | Cc1nnc2sc(-c3cccc(NC(=O)C(C)C)c3)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N][=N][N][Ring2][Ring1][Ring2][Ring1][P] | Cc1nnc2sc6nn12.c16cccc5c1.C4(=O)C(C)C.N45 |
36284 | CCCC(=O)Nc1cccc(-c2nn3c(C)nnc3s2)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][#C] | c16nn2c(C)nnc2s1.c15cccc6c1.CCCC4=O.N45 |
36285 | CCCC(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C] | c16nn2cnnc2s1.c15ccc6cc1.CCCC4=O.N45 |
36286 | CC(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C] | c16nn2cnnc2s1.c15ccc6cc1.CC4=O.N45 |
36287 | Cc1ccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c18nn2cnnc2s1.Cc1ccc7cc1.c16ccc8cc1.C57=O.N56 |
36288 | Cc1ccccc1C(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C] | c17nn2cnnc2s1.Cc1ccccc16.c15ccc7cc1.C46=O.N45 |
36289 | O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccccc1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nn2cnnc2s1.c15ccc7cc1.c16ccccc1.O=C46.N45 |
36290 | Cc1cccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | c18nn2cnnc2s1.Cc1cccc7c1.c16ccc8cc1.C57=O.N56 |
36291 | O=C(Cc1ccccc1)Nc1ccc(-c2nn3cnnc3s2)cc1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C] | c17nn2cnnc2s1.c15ccc7cc1.c16ccccc1.O=C4C6.N45 |
36292 | O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1cccs1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C][C][=C][C][=C][S][Ring1][Branch1] | c17nn2cnnc2s1.c15ccc7cc1.c16cccs1.O=C46.N45 |
36293 | CC(C)C(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C] | c16nn2cnnc2s1.c15ccc6cc1.CC(C)C4=O.N45 |
36294 | CC(C)CC(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C] | c16nn2cnnc2s1.c15ccc6cc1.CC(C)CC4=O.N45 |
36295 | O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=N][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][Branch2][C][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | c17nn2cnnc2s1.c15ccc7cc1.c16ccco1.O=C46.N45 |
36296 | CCn1nnc(NC(=O)c2c(OC)cccc2OC)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][=N][Ring2][Ring1][C] | c17c4cccc15.n18nnc6n1.C37=O.CC8.N36.O4C.O5C |
36297 | Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(C)C | [C][C][=C][C][=C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c16nn2c(C)nnc2s1.Cc1ccc6cc15.C4(=O)C(C)C.N45 |
36298 | CC(=O)Nc1ccc2nc(NC(=O)c3cccs3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][Ring1][=N][=C][Ring1][P] | c17ccc2nc6oc2c1.c18cccs1.CC4=O.C58=O.N47.N56 |
36299 | COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CC(C)C | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C] | c15ccc6cc17.C4(=O)CC(C)C.c18ccco1.C38=O.CO5.N36.N47 |
36300 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C(C)C)cc3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c17ccc2nc6oc2c1.c18ccc9cc1.CC4=O.C58=O.C9(C)C.N47.N56 |
36302 | COc1cccc(OC)c1C(=O)Nc1ccc(Br)cn1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | c13cccc4c16.c15ccc(Br)cn1.C26=O.CO3.O4C.N25 |
36303 | COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccco1 | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15ccc6cc17.c18ccco1.c19ccco1.C38=O.C49=O.CO5.N36.N47 |
36304 | CCn1nnc(NC(=O)c2cc(OC)cc(OC)c2)n1 | [C][C][N][N][=N][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][=N][Ring2][Ring1][C] | c17cc4cc5c1.n18nnc6n1.C37=O.CC8.N36.O4C.O5C |
36305 | CCn1nnc(NC(=O)c2ccc(C(C)C)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][Ring1][P] | c15ccc7cc1.n16nnc4n1.C35=O.C7(C)C.CC6.N34 |
36306 | CCOc1ccc(C(=O)Nc2nnn(CC)n2)cc1Cl | [C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][Ring1][C][C][N][=Ring1][#Branch1][C][=C][Ring1][S][Cl] | c15ccc7cc1Cl.c16nnn8n1.C37=O.CC4.O45.N36.C8C |
36307 | O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccc(Br)cn1.O=C35.N34 |
36308 | CC(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][#C] | c15nc2ccc6cc2s1.N16CCOCC1.CC4=O.N45 |
36309 | CC1CCN(c2ccccc2NC(=O)C(C)C)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring2][Ring1][C] | CC1CCN4CC1.c14ccccc15.C3(=O)C(C)C.N35 |
36310 | CC1CCN(c2ccccc2NC(=O)c2ccco2)CC1 | [C][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring2][Ring1][Ring2] | CC1CCN4CC1.c14ccccc15.c16ccco1.C36=O.N35 |
36312 | Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(C)(C)C | [C][C][=C][C][=C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c16nn2c(C)nnc2s1.Cc1ccc6cc15.C4(=O)C(C)(C)C.N45 |
36313 | CC(=O)Nc1ccc2nc(NC(=O)c3cccc(C)c3)oc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6oc2c1.c18cccc(C)c1.CC4=O.C58=O.N47.N56 |
36314 | CCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | c15ccccc16.N16CCN4CC1.c17ccccc1.CCC3=O.C47=O.N35 |
36315 | Cc1nnc(SCc2ccccc2)n1NC(=O)c1ccco1 | [C][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1nnc6n1NC4=O.c15ccccc1.c14ccco1.S36.C35 |
36316 | Cc1nnc(SCc2ccccc2)n1NC(=O)Cc1ccccc1 | [C][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc6n1NC(=O)C5.c14ccccc1.c15ccccc1.S36.C34 |
36317 | COc1ccc(NC(=O)c2ccco2)cc1NC(C)=O | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][N][C][Branch1][C][C][=O] | c15ccc6cc17.c18ccco1.C38=O.C4(C)=O.CO5.N36.N47 |
36318 | CCn1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)n1 | [C][C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][Ring1] | c15ccc(Cl)cc1Cl.n17nnc6n1.C3(=O)C4C.CC7.N36.O45 |
36319 | CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccco2)CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring2][Ring1][Ring2] | N13CCN5CC1.c15ccccc16.CC(C)C3=O.c17ccco1.C47=O.N46 |
36320 | CCn1nnc(NC(=O)c2cccc(Br)c2)n1 | [C][C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][Ring1][#C] | c15cccc(Br)c1.n16nnc4n1.C35=O.CC6.N34 |
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