ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
27385 | CCC(=O)Nc1ccc(NC(=O)Cn2nnc3ccccc32)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | n18nnc2ccccc21.c16ccc7cc1.CCC4=O.C5(=O)C8.N46.N57 |
27386 | Cc1ccc(NC(=O)CCn2nnc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n16nnc2ccccc21.Cc1ccc5cc1.C4(=O)CC6.N45 |
27387 | CCOC(=O)c1cccc(NC(=O)CCn2nnc3ccccc32)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | n19nnc2ccccc21.c18cccc7c1.C5(=O)CC9.C48=O.CC6.O46.N57 |
27388 | CCOC(=O)c1ccc(NC(=O)CCn2nnc3ccccc32)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n19nnc2ccccc21.c18ccc7cc1.C5(=O)CC9.C48=O.CC6.O46.N57 |
27390 | CC(=O)Nc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c18ccc9cc1.n19cnnn1.CC4=O.C58=O.N46.N57 |
27391 | CC(=O)Nc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c18cccc9c1.n19cnnn1.CC4=O.C58=O.N46.N57 |
27392 | Cc1cc(NC(=O)CCC(=O)Nc2cc(C)on2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][O][Ring2][Ring1][Ring1] | C3(=O)CCC4=O.Cc1cc5no1.c16cc(C)on1.N35.N46 |
27393 | Cc1ccc(NC(=O)CSc2nccc(C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16nccc(C)n1.C3(=O)C4.N35.S46 |
27394 | Cc1cccc(NC(=O)CSc2nccc(C)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][C] | Cc1cccc5c1.c16nccc(C)n1.C3(=O)C4.N35.S46 |
27395 | Cc1ccnc(SCC(=O)Nc2ccccc2C)n1 | [C][C][=C][C][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C] | Cc1ccnc6n1.c15ccccc1C.C4C3=O.S46.N35 |
27396 | Cc1ccc(C)c(NC(=O)CSc2nccc(C)n2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c5c1.c16nccc(C)n1.C3(=O)C4.N35.S46 |
27397 | Cc1ccnc(SCC(=O)Nc2ccc(C)c(C)c2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring1] | c15ccc(C)c(C)c1.Cc1ccnc6n1.C4C3=O.S46.N35 |
27398 | CCc1ccccc1NC(=O)CSc1nccc(C)n1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1] | c15ccccc14.c16nccc(C)n1.C2(=O)C3.CC5.N24.S36 |
27399 | COc1ccccc1NC(=O)CSc1nccc(C)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1] | c13ccccc15.c16nccc(C)n1.C2(=O)C4.CO3.N25.S46 |
27400 | COc1cccc(NC(=O)CSc2nccc(C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][C] | c14cccc6c1.c17nccc(C)n1.C3(=O)C5.CO4.N36.S57 |
27401 | COc1ccc(NC(=O)CSc2nccc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17nccc(C)n1.C3(=O)C5.CO4.N36.S57 |
27402 | CCOc1ccc(NC(=O)CSc2nccc(C)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18nccc(C)n1.C3(=O)C6.CC4.O45.N37.S68 |
27403 | COc1ccc(NC(=O)CSc2nccc(C)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc7c5c1.c18nccc(C)n1.C3(=O)C6.CO4.N37.S68.O5C |
27404 | COc1ccc(OC)c(NC(=O)CSc2nccc(C)n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c14ccc5c7c1.c18nccc(C)n1.C3(=O)C6.CO4.O5C.N37.S68 |
27405 | COc1ccc(C)cc1NC(=O)CSc1nccc(C)n1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1] | c13ccc(C)cc15.c16nccc(C)n1.C2(=O)C4.CO3.N25.S46 |
27406 | Cc1ccnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c16ccc2c(c1)OCO2.Cc1ccnc7n1.C5C4=O.S57.N46 |
27407 | Cc1ccnc(SCC(=O)NC2CCCCC2)n1 | [C][C][=C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][P] | Cc1ccnc6n1.C15CCCCC1.C4C3=O.S46.N35 |
27409 | Cc1ccnc(SCC(=O)Nc2ccc(F)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1ccnc6n1.c15ccc(F)cc1.C4C3=O.S46.N35 |
27410 | Cc1ccnc(SCC(=O)Nc2ccccc2F)n1 | [C][C][=C][C][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][C] | Cc1ccnc6n1.c15ccccc1F.C4C3=O.S46.N35 |
27411 | Cc1ccnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Branch1] | Cc1ccnc7n1.c15ccccc16.C4C3=O.C6(F)(F)F.S47.N35 |
27412 | Cc1ccnc(SCC(=O)Nc2cccc(O)c2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1ccnc6n1.c15cccc(O)c1.C4C3=O.S46.N35 |
27413 | CCOC(=O)c1ccc(NC(=O)CSc2nccc(C)n2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c18ccc7cc1.c19nccc(C)n1.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
27415 | Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][S][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][C][#N][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1] | c16sc2c(c1C#N)CCCC2.Cc1ccnc7n1.C5C4=O.S57.N46 |
27416 | CCc1nnc(NC(=O)CSc2nccc(C)n2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][S][Ring1][P] | c17nccc(C)n1.c16nnc5s1.C3(=O)C4.CC6.N35.S47 |
27417 | Cc1ccnc(SCC(=O)N2c3ccccc3CC2C)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][=N][Ring2][Ring1][Ring2] | N14c2ccccc2CC1C.Cc1ccnc6n1.C5C4=O.S56 |
27418 | Cc1ccnc(SCC(=O)Nc2nc3ccccc3s2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][Ring2][Ring1][Ring2] | c16nc2ccccc2s1.Cc1ccnc7n1.C5C4=O.S57.N46 |
27419 | COc1ccccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N] | c14ccccc15.c17ccc(Cl)cc1.n16nnc7n1.C3(=O)C6.CO4.N35 |
27420 | O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c15ccc(Cl)cc1.n14nnc5n1.N13CCCC1.O=C3C4 |
27421 | O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(Cl)cc1.n14nnc5n1.N13CCOCC1.O=C3C4 |
27422 | O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccco1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccc(Cl)cc1.n15nnc7n1.c16ccco1.O=C3C5.N34.C46 |
27423 | CCOC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N] | c16ccc(Cl)cc1.n15nnc6n1.C3(=O)C5.CC4.O34 |
27424 | COc1ccccc1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][N] | c14ccccc15.c17ccc(C)cc1.n16nnc7n1.C3(=O)C6.CO4.N35 |
27425 | COc1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c15ccc6cc1.c18ccc(C)cc1.n17nnc8n1.C4(=O)C7.CO5.N46 |
27426 | Cc1ccc(-c2nnn(CC(=O)N3CCCc4ccccc43)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][N][=N][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | N15CCCc2ccccc21.Cc1ccc7cc1.c17nnn6n1.C6C5=O |
27427 | Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3F)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c15ccccc1F.c17nnn6n1.C6C4=O.N45 |
27428 | Cc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.N14CCCC(C)C1.c16nnn5n1.C5C4=O |
27429 | Cc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.c16nnn5n1.N14CCOCC1.C5C4=O |
27430 | Cc1ccc(-c2nnn(CC(=O)N(C)C3CCCCC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c17nnn6n1.C15CCCCC1.C6C4=O.N45C |
27433 | Cc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.c18nnn6n1.c17ccccc1.C6C4=O.N45.C57 |
27434 | Cc1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c18ccc(C)cc1.n16nnc8n1.C4(=O)C6.C57.N45 |
27435 | COc1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | c15ccc8cc1.c19ccc(C)cc1.n17nnc9n1.C4(=O)C7.CO5.C68.N46 |
27436 | Cc1ccc(-c2nnn(Cc3ccc(C#N)cc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=N][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15ccc(C#N)cc1.Cc1ccc6cc1.c16nnn4n1.C45 |
27437 | Cc1cc(SCC(=O)N2CCCC2)nc2ccccc12 | [C][C][=C][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | Cc1cc5nc2ccccc12.N13CCCC1.C4C3=O.S45 |
27440 | COc1ccc2[nH]c3nc(SCC(=O)OC(C)C)nnc3c2c1 | [C][O][C][=C][C][=C][NH1][C][=N][C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2[nH]c3nc8nnc3c2c1.C7C4=O.C5(C)C.CO6.S78.O45 |
27441 | COc1cc(-n2cnnn2)ccc1S(=O)(=O)N1CCCCC1 | [C][O][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c13cc5ccc1S4(=O)=O.N14CCCCC1.n15cnnn1.CO3 |
27442 | CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c16nnc7n15.c15ccc(C)cc1.c17ccco1.C3(=O)C4.CN3.S46 |
27443 | COc1ccc(OC)c(C(=O)CSc2nnnn2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c13ccc4c6c1.c17nnnn1C.C6(=O)C5.CO3.O4C.S57 |
27444 | COc1ccc(C(=O)CSc2nnnn2C)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][S][O][C] | c13ccc6cc14.c17nnnn1C.C6(=O)C5.CO3.S57.O4C |
27445 | Cc1ccc(C)c(C(=O)CSc2nnnn2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][P] | Cc1ccc(C)c4c1.c15nnnn1C.C4(=O)C3.S35 |
27446 | Cn1nnnc1SCC(=O)c1ccc(F)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.Cn1nnnc14.C2C3=O.S24 |
27447 | Cn1nnnc1SCC(=O)Nc1nc2c(s1)CCCC2 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c15nc2c(s1)CCCC2.Cn1nnnc16.C4C3=O.S46.N35 |
27448 | CCn1nnnc1SCC(=O)c1ccc(C)c(C)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | c13ccc(C)c(C)c1.n14nnnc15.C2C3=O.CC4.S25 |
27449 | CCn1nnnc1SCC(=O)c1cc(OC)ccc1OC | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | c15cc2ccc13.n16nnnc17.C4C5=O.CC6.S47.O2C.O3C |
27450 | CCn1nnnc1SCC(=O)c1ccc(OC)cc1OC | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c15ccc2cc13.n16nnnc17.C4C5=O.CC6.S47.O2C.O3C |
27451 | CCn1nnnc1SCC(=O)c1ccc(F)cc1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.n14nnnc15.C2C3=O.CC4.S25 |
27452 | COc1ccc(-n2nnnc2SCC(=O)c2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc6cc1.c15ccc(F)cc1.n16nnnc17.C4C5=O.CO3.S47 |
27453 | CCN(CC)C(=O)CSc1nnnn1-c1ccc(OC)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c17ccc3cc1.c18nnnn17.C2(=O)C6.N245.CC4.C5C.S68.O3C |
27454 | CNC(=O)CSc1nnnn1-c1ccc(OC)cc1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15ccc3cc1.c16nnnn15.C2(=O)C4.CN2.S46.O3C |
27455 | COC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2ccccc2c(=O)n15.c16ccccc1.C3(=O)C4.CO3.S47.C56 |
27456 | Cc1cccc(NC(=O)C(C#N)Cc2cccnc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C] | Cc1cccc4c1C.C3(=O)C(C#N)C5.c15cccnc1.N34 |
27457 | CCc1ccccc1NC(=O)C(C#N)Cc1cccnc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc13.C2(=O)C(C#N)C5.c15cccnc1.CC4.N23 |
27458 | CCc1ccc(NC(=O)C(C#N)Cc2cccnc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc4cc1.C3(=O)C(C#N)C6.c16cccnc1.CC5.N34 |
27459 | N#CC(Cc1cccnc1)C(=O)Nc1ccccc1Cl | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | N#CC(C4)C2=O.c13ccccc1Cl.c14cccnc1.N23 |
27460 | N#CC(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1 | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | N#CC(C4)C2=O.c13cccc(Cl)c1.c14cccnc1.N23 |
27461 | N#CC(Cc1cccnc1)C(=O)Nc1ccc(Cl)cc1 | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | N#CC(C4)C2=O.c13ccc(Cl)cc1.c14cccnc1.N23 |
27462 | N#CC(Cc1cccnc1)C(=O)Nc1ccccc1Br | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | N#CC(C4)C2=O.c13ccccc1Br.c14cccnc1.N23 |
27463 | N#CC(Cc1cccnc1)C(=O)Nc1ccc(Br)cc1 | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | N#CC(C4)C2=O.c13ccc(Br)cc1.c14cccnc1.N23 |
27465 | N#CC(Cc1cccnc1)C(=O)Nc1ccc(F)cc1 | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N#CC(C4)C2=O.c13ccc(F)cc1.c14cccnc1.N23 |
27466 | N#CC(Cc1cccs1)C(=O)Nc1ccc(F)cc1 | [N][#C][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N#CC(C4)C2=O.c13ccc(F)cc1.c14cccs1.N23 |
27467 | N#CC(Cc1cccs1)C(=O)Nc1ccccc1F | [N][#C][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | N#CC(C4)C2=O.c13ccccc1F.c14cccs1.N23 |
27468 | COc1ccccc1NC(=O)C(C#N)Cc1ccc(OC)c(OC)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17ccc4c5c1.c13ccccc16.C2(=O)C(C#N)C7.CO3.N26.O4C.O5C |
27469 | COc1ccccc1NC(=O)C(C#N)Cc1cccnc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccccc14.C2(=O)C(C#N)C5.c15cccnc1.CO3.N24 |
27470 | COc1ccccc1NC(=O)C(C#N)Cc1cccs1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][S][Ring1][Branch1] | c13ccccc14.C2(=O)C(C#N)C5.c15cccs1.CO3.N24 |
27471 | COc1ccc(CC(C#N)C(=O)Nc2cccc(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.C7C(C#N)C3=O.c16cccc5c1.CO4.N36.O5C |
27472 | COc1cccc(NC(=O)C(C#N)Cc2cccs2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C] | c14cccc5c1.C3(=O)C(C#N)C6.c16cccs1.CO4.N35 |
27473 | COc1ccc(NC(=O)C(C#N)Cc2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc5cc1.C3(=O)C(C#N)C6.c16cccnc1.CO4.N35 |
27474 | COc1ccc(NC(=O)C(C#N)Cc2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c14ccc5cc1.C3(=O)C(C#N)C6.c16cccs1.CO4.N35 |
27475 | CCOc1ccc(NC(=O)C(C#N)Cc2cccnc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.C3(=O)C(C#N)C7.c17cccnc1.CC4.O45.N36 |
27476 | CCOc1ccc(NC(=O)C(C#N)Cc2cccs2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.C3(=O)C(C#N)C7.c17cccs1.CC4.O45.N36 |
27477 | CCOc1cccc(NC(=O)C(C#N)Cc2cccs2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C] | c15cccc6c1.C3(=O)C(C#N)C7.c17cccs1.CC4.O45.N36 |
27478 | CCOc1ccccc1NC(=O)C(C#N)Cc1cccs1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][S][Ring1][Branch1] | c14ccccc15.C2(=O)C(C#N)C6.c16cccs1.CC3.O34.N25 |
27479 | N#CC(Cc1ccccc1)C(=O)Nc1ccccn1 | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | N#CC(C4)C2=O.c14ccccc1.c13ccccn1.N23 |
27480 | COc1ccc(CC(C#N)C(=O)Nc2cccc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.C6C(C#N)C3=O.c15cccc(C)n1.CO4.N35 |
27481 | COc1ccc(CC(C#N)C(=O)Nc2cccc(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc7cc15.C7C(C#N)C3=O.c16cccc(C)n1.CO4.N36.O5C |
27483 | COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(C)=O | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][N][C][Branch1][C][C][=O] | c15cc7c6cc18.c19ccco1.C39=O.C4(C)=O.CO5.N37.O6C.N48 |
27484 | CCC(=O)N(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 | [C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c18ccc3c4c1.c17cccnc1.CCC2=O.N256.C57.C68.O3C.O4C |
27485 | CC(=O)c1c(C)nc(-c2ccccc2)nc1SCC(N)=O | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][S][C][C][Branch1][C][N][=O] | c14c5nc6nc1C.c16ccccc1.C3C(N)=O.CC4=O.S35 |
27486 | Cc1nc(-c2ccccc2)nc(SCC(N)=O)c1C#N | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][Ring1][P][C][#N] | Cc1nc5nc4c1C#N.c15ccccc1.C3C(N)=O.S34 |
27487 | O=C(Cn1c(-c2ccco2)nc2ccccc21)NCc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c7nc2ccccc21.c16ccccc1.c17ccco1.O=C3C5.N34.C46 |
27488 | O=C(Cn1c(-c2ccco2)nc2ccccc21)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][N][C][C][C][C][C][Ring1][=Branch1] | n14c5nc2ccccc21.N13CCCCC1.c15ccco1.O=C3C4 |
27489 | CC1CCN(C(=O)Cn2c(-c3ccco3)nc3ccccc32)CC1 | [C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][Ring2][Ring1][#Branch1] | n15c6nc2ccccc21.CC1CCN4CC1.c16ccco1.C4(=O)C5 |
27490 | Cc1ccc2cc3cc(C(=O)N4CCOCC4)sc3nc2c1 | [C][C][=C][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][C][Ring1][=N][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2cc3cc6sc3nc2c1.N15CCOCC1.C56=O |
27491 | CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1N | [C][C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][P][N] | c16cc8c7cc1N.c19ccco1.C39=O.CC4.O46.N38.O57.C5C |
27493 | CCOc1cc(NC(C)=O)c(OCC)cc1NC(C)=O | [C][C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=N][N][C][Branch1][C][C][=O] | c16cc8c7cc19.C2(C)=O.C3(C)=O.CC4.O46.N28.O57.C5C.N39 |
27494 | CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1N | [C][C][O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring2][Ring1][Ring1][N] | c16cc8c7cc1N.c19ccccc1C.C39=O.CC4.O46.N38.O57.C5C |
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