ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
26367 | Cc1cc(C)c(NC(=O)CCn2nnc3ccccc32)c(C)c1 | [C][C][=C][C][Branch1][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][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c5c(C)c1.n16nnc2ccccc21.C4(=O)CC6.N45 |
26368 | Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)n2C)n1 | [C][C][=C][S][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=N][Ring2][Ring1][=Branch1] | c17nnc8n1C.Cc1csc6n1.c18ccccc1.C4(=O)C5.N46.S57 |
26369 | CCC(=O)Nc1nc(C)c(C(=O)Nc2ccccc2Cl)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][S] | c15nc(C)c7s1.c16ccccc1Cl.CCC3=O.C47=O.N35.N46 |
26371 | CCC1C(NC2CCCCC2)=NC(=O)N1Cc1ccco1 | [C][C][C][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=Branch1][C][=O][N][Ring1][=N][C][C][=C][C][=C][O][Ring1][Branch1] | C15C(N3)=NC(=O)N14.C13CCCCC1.c16ccco1.CC5.C46 |
26372 | O=C(Nc1ccc(-n2cnnn2)cc1)C1COc2ccccc2O1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccc6cc1.n16cnnn1.O=C35.N34 |
26373 | COc1ccc(NC(=O)Cn2nnc3ccccc32)c2ncccc12 | [C][O][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][=N][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | c15ccc6c2ncccc12.n17nnc2ccccc21.C4(=O)C7.CO5.N46 |
26374 | CCOc1ccc(OCC)c(NC(=O)C2COc3ccccc3O2)c1 | [C][C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | C1%10COc2ccccc2O1.c17ccc8c9c1.C4%10=O.CC5.O57.O68.C6C.N49 |
26375 | Cc1nnc(NC(=O)CC2c3ccccc3Oc3ccccc32)s1 | [C][C][=N][N][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][S][Ring2][Ring1][#Branch1] | C4(=O)CC1c2ccccc2Oc2ccccc21.Cc1nnc5s1.N45 |
26376 | Cc1cnc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][C][=N][Ring2][Ring1][=Branch1] | Cc1cnc7cn1.c16ccc8cc1.N15CCCC1.C47=O.C58=O.N46 |
26378 | Cn1c(=O)c2c(ncn2CC(=O)NC2CC2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][P][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.C5C3=O.C14CC1.N34 |
26379 | O=C(Cn1cnc2ccccc21)Nc1cccc(-n2cnnn2)c1 | [O][=C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O] | n15cnc2ccccc21.c14cccc6c1.n16cnnn1.O=C3C5.N34 |
26380 | O=C(Cn1nnc2ccccc21)Nc1cnc2ccccc2c1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14cnc2ccccc2c1.n15nnc2ccccc21.O=C3C5.N34 |
26381 | CCc1nc(SCC(N)=O)c2c3c(sc2n1)CC(C)CC3 | [C][C][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][=C][C][C][Branch1][C][C][C][C][Ring1][#Branch2] | c15nc6c2c3c(sc2n1)CC(C)CC3.C4C(N)=O.CC5.S46 |
26382 | CCc1nnc(NC(=O)Cn2nc(C)c3ccccc3c2=O)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][S][Ring2][Ring1][Branch1] | n16nc(C)c2ccccc2c1=O.c17nnc5s1.C4(=O)C6.CC7.N45 |
26383 | Cc1nn(CC(=O)Nc2nnc(C(C)C)s2)c(=O)c2ccccc12 | [C][C][=N][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c14nnc6s1.C5C3=O.C6(C)C.N34 |
26384 | Cc1nn(CC(=O)NC(C)(C)C)c(=O)c2ccccc12 | [C][C][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.C5C3=O.C4(C)(C)C.N34 |
26385 | CC(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] | n17nc(C)c2ccccc2c1=O.c16ccc5cc1.C4(=O)C7.CC6=O.N45 |
26386 | CCC(C)NC(=O)Cn1nc(C)c2ccccc2c1=O | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] | n15nc(C)c2ccccc2c1=O.CCC4C.C3(=O)C5.N34 |
26387 | Cc1nn(CC(=O)Nc2cccnc2)c(=O)c2ccccc12 | [C][C][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c14cccnc1.C5C3=O.N34 |
26388 | CC(=O)N1CCN(c2nc3ccc(N)cc3s2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][Ring1][S] | c15nc2ccc(N)cc2s1.N14CCN5CC1.CC4=O |
26389 | CC(C)c1nnc(NC(=O)CNC(=O)c2cccs2)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][P] | c18nnc6s1.c17cccs1.C3(=O)C5.CC8C.C47=O.N36.N45 |
26391 | CCc1nc(SCC(=O)NC)c2c3c(sc2n1)CC(C)CC3 | [C][C][C][=N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#C][C][C][Branch1][C][C][C][C][Ring1][#Branch2] | c16nc7c2c3c(sc2n1)CC(C)CC3.C5C4=O.CC6.S57.N4C |
26392 | COc1ccccc1NC(=O)CSc1nnnn1C1CCCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c13ccccc15.c17nnnn16.C16CCCCC1.C2(=O)C4.CO3.N25.S47 |
26393 | O=C(CSc1nnnn1C1CCCCC1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c16nnnn15.C15CCCCC1.O=C2C3.S36.N24 |
26394 | Cc1cccc(C)c1NC(=O)CSc1nnnn1C1CCCCC1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | Cc1cccc(C)c14.c16nnnn15.C15CCCCC1.C2(=O)C3.N24.S36 |
26395 | COc1cccc(NC(=O)CSc2nnnn2C2CCCCC2)c1 | [C][O][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][Ring2][Ring1][=Branch1] | c14cccc6c1.c18nnnn17.C17CCCCC1.C3(=O)C5.CO4.N36.S58 |
26396 | Cn1c(SCC(=O)N2CCc3ccccc32)nnc1C1CC1 | [C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | N14CCc2ccccc21.Cn1c6nnc17.C5C4=O.C17CC1.S56 |
26397 | CCn1c(SCC(=O)N2c3ccccc3CC2C)nnc1C(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][N][=C][Ring2][Ring1][Ring1][C][Branch1][C][C][C] | N14c2ccccc2CC1C.n16c7nnc18.C5C4=O.C7(C)C.CC6.S58 |
26398 | CCn1c(SCC(=O)N2CCc3ccccc32)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][N][=C][Ring2][Ring1][C][C][Branch1][C][C][C] | N14CCc2ccccc21.n16c7nnc18.C5C4=O.C7(C)C.CC6.S58 |
26399 | CC1Cc2ccccc2N1C(=O)CSc1nnc(C2CC2)n1C | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C] | CC1Cc2ccccc2N13.c15nnc6n1C.C3(=O)C4.C16CC1.S45 |
26400 | CCc1cc2cc3c(cc2nc1SCC(N)=O)OCO3 | [C][C][C][=C][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][Branch1][C][N][=O][O][C][O][Ring1][=C] | c15cc2cc3c(cc2nc16)OCO3.C4C(N)=O.CC5.S46 |
26401 | COc1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c15cccc7c1.c18nnc9n1C.C4(=O)C6.C19CC1.CO5.N47.S68 |
26402 | COc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.c18nnc9n1C.C4(=O)C6.C19CC1.CO5.N47.S68 |
26404 | CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2] | c16ccc8cc1.c19nnc%10n1C.C4(=O)C7.C1%10CC1.CC5.O56.N48.S79 |
26405 | CCn1c(SCC(=O)Nc2ccccc2OC)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | n17c8nnc19.c16ccccc14.C5C3=O.C19CC1.CC7.S58.N36.O4C |
26406 | CC(C)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C | [C][C][Branch1][C][C][C][=N][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][Ring1][C] | c16nc2ccccc2s1.c17nnc8n1C.C5C4=O.CC7C.S58.N46 |
26407 | CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][P][C] | c16nnc7n1C.c15ccc(F)cc1.C4C3=O.CC6C.S47.N35 |
26408 | CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=N][N][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | c15c(C)cc(C)cc1C.n16c7nnc18.C4C3=O.C18CC1.CC6.S47.N35 |
26409 | CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | c15ccc(C)cc1C.n16c7nnc18.C4C3=O.C18CC1.CC6.S47.N35 |
26410 | Cc1ccc2[nH]c(=O)c(CN(C(=O)N(C)C)C3CC3)cc2c1 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2[nH]c(=O)c8cc2c1.N467.C45=O.N5(C)C.C17CC1.C68 |
26411 | O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccn1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccc6cc1.c15ccccn1.n16cnnn1.O=C35.N34 |
26412 | Cn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | Cn1c7nnc18.c16ccccc1.C5C3=O.C18CC1.S57.N34.C46 |
26413 | COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1 | [C][O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][=N][N][=N][Ring1][Branch1] | c14ccc5cc17.n17cnnn1.C36=O.C16CC1.CO4.N35 |
26414 | Cc1nnc(NC(=O)C2(c3ccccc3)CCCC2)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O][S][Ring2][Ring1][Ring1] | Cc1nnc5s1.C167CCCC1.c17ccccc1.C46=O.N45 |
26415 | COC(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c18cccc7c1.c19nnc%10n1C.C5(=O)C6.C48=O.C1%10CC1.CO4.N57.S69 |
26416 | CC(C)N(C(=O)CSc1nnc(-c2ccccc2N)n1C)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][Ring1][N][C][C][Branch1][C][C][C] | c17nnc8n1C.c18ccccc1N.C3(=O)C6.CC4C.N345.C5(C)C.S67 |
26418 | Cc1nc(NC(=O)CSc2nnc(C3CC3)n2C)sc1C | [C][C][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][S][C][=Ring2][Ring1][Ring1][C] | Cc1nc6sc1C.c17nnc8n1C.C4(=O)C5.C18CC1.N46.S57 |
26419 | CCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c15cccc6c1.n17nnnc18.C4C2=O.C3(C)=O.CC7.S48.N25.N36 |
26420 | CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][P][C] | c16nnc7n1C.c15ccccc1F.C4C3=O.CC6C.S47.N35 |
26421 | CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1CC | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C] | c17ccccc15.c18nnc9n16.C3(=O)C4.C19CC1.CC7.N35.S48.C6C |
26422 | Cc1nnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)s1 | [C][C][=N][N][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] | n16nc7c2c1CCCC2.Cc1nnc5s1.C4(=O)C6.C7(F)(F)F.N45 |
26423 | CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15ccc(Cl)cc1.C4C3=O.C7(C)C.CC6.S48.N35 |
26424 | CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][=N][N][=C][Ring2][Ring1][Ring1][C][Branch1][C][C][C] | n17c8nnc19.c15cccc6c1.C4C3=O.C6(C)=O.C8(C)C.CC7.S49.N35 |
26425 | Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nccs3)cc12 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][C][Ring2][Ring1][=Branch1][=Ring1][=N] | Cc1nn7c2sc6cc12.c17ccccc1.c15nccs1.C46=O.N45 |
26427 | Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CC3)cc2c1 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | Cc1ccc2[nH]c(=O)c9cc2c1.c17ccccc1.N468.C45=O.C18CC1.C69.N57 |
26428 | CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | c15cc(C)ccc1C.n16c7nnc18.C4C3=O.C18CC1.CC6.S47.N35 |
26429 | COc1ccc(NC(=O)c2cnccn2)c2ncccc12 | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c14ccc5c2ncccc12.c16cnccn1.C36=O.CO4.N35 |
26430 | COc1ccc(NC(=O)c2cnc(C)cn2)c2ncccc12 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c14ccc5c2ncccc12.c16cnc(C)cn1.C36=O.CO4.N35 |
26431 | CC(C)c1nnc(SCC(=O)Nc2ccccc2Cl)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][P][C] | c16nnc7n1C.c15ccccc1Cl.C4C3=O.CC6C.S47.N35 |
26432 | CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | n17c8nnc19.c16ccc4cc1.C5C3=O.C19CC1.CC7.S58.N36.O4C |
26433 | CC(C)c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][P][C] | c16nnc7n1C.c15cccc(Cl)c1.C4C3=O.CC6C.S47.N35 |
26434 | Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1 | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | Cn1c6nnc17.c15ccc(Cl)cc1.C4C3=O.C17CC1.S46.N35 |
26435 | Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CC3)C3CC3)cc2c1 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2[nH]c(=O)c8cc2c1.N456.C47=O.C17CC1.C16CC1.C58 |
26436 | CCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1 | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1] | n16c7nnc18.c15cccc(C)n1.c18ccco1.C4C3=O.CC6.S47.N35 |
26437 | Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | Nc1ccccc13.N13CCN4CC1.c14ccc(F)cc1 |
26439 | CCOc1ccc(-n2cc3c(C)nn(-c4ccccc4)c3nc2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | n17cc2c(C)nn8c2nc1=O.c16ccc7cc1.c18ccccc1.CC5.O56 |
26440 | Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1ccc5cc1Cl.c17nnc6n1C.C3(=O)C4.C6(C)C.N35.S47 |
26441 | NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15nnc6n14.c14ccc(Cl)cc1.c16cccnc1.NC(=O)C3.S35 |
26442 | O=C(Nc1ccc2[nH]c(=O)oc2c1)c1cccc2ncccc12 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14ccc2[nH]c(=O)oc2c1.c15cccc2ncccc12.O=C35.N34 |
26443 | COc1ccc(Cc2nnc(SCC(=O)N3CCCCC3)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c17nnc9o1.N14CCCCC1.C6C4=O.CO5.C78.S69 |
26444 | CCOc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.c19nnc8n1C.C3(=O)C6.C8(C)C.CC4.O45.N37.S69 |
26445 | Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1C | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C] | Cc1ccc(Cl)cc15.c16nnc7n1C.C3(=O)C4.C17CC1.N35.S46 |
26446 | Cc1c(Cl)cccc1NC(=O)CSc1nnc(C2CC2)n1C | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C] | Cc1c5cccc1Cl.c16nnc7n1C.C3(=O)C4.C17CC1.N35.S46 |
26447 | CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | c15cc(C)cc(C)c1.n16c7nnc18.C4C3=O.C18CC1.CC6.S47.N35 |
26448 | CCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1ccco1 | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][N][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1] | n16c7nnc18.c15cccc3c1.c18ccco1.C4C5=O.CC6.S47.O3C |
26449 | CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccco1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | n15c6nnc17.c14ccc(F)cc1.c17ccco1.C3C4=O.CC5.S36 |
26450 | CCOc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][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][Ring2][Ring1][Branch1] | c15ccc7cc1.c18nnc9n1C.c19ccco1.C7(=O)C6.CC4.O45.S68 |
26451 | CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccco1 | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1] | n16c7nnc18.c15ccc3cc1.c18ccco1.C4C5=O.CC6.S47.O3C |
26452 | CCn1c(SCC(=O)c2ccccc2F)nnc1-c1ccco1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | n15c6nnc17.c14ccccc1F.c17ccco1.C3C4=O.CC5.S36 |
26453 | Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccco1 | [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][O][Ring1][Branch1] | Cn1c5nnc16.c14ccccc1.c16ccco1.C3C4=O.S35 |
26454 | Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.c14ccc(Cl)cc1.c16ccco1.C3C4=O.S35 |
26455 | Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][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][Ring2][Ring1][Branch1] | Cc1ccc5cc1.c16nnc7n1C.c17ccco1.C5(=O)C4.S46 |
26456 | CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | S5(=O)(=O)c1ccc6cc1.c17cnccn1.CC4C.C37=O.N45.N36 |
26458 | Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=N][Ring2][Ring1][=Branch1] | c16ccc(S5(=O)=O)cc1.Cc1cnc7cn1.C37=O.C4(C)C.N36.N45 |
26459 | CC(C)CNS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 | [C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | S5(=O)(=O)c1ccc6cc1.c17cnccn1.CC(C)C4.C37=O.N45.N36 |
26461 | Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1N | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | Cn1c5nnc16.c14ccc(F)cc1.c16ccccc1N.C3C4=O.S35 |
26462 | Cc1cccc(NC(=O)CSc2nncn2C)c1 | [C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][Ring1][P] | Cc1cccc5c1.c16nncn1C.C3(=O)C4.N35.S46 |
26464 | CCc1cc2cc(OC)ccc2nc1SCC(=O)N1CCOCC1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][=C][Ring1][N][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c16cc2cc4ccc2nc17.N13CCOCC1.C5C3=O.CC6.O4C.S57 |
26465 | Cc1ccc(-n2nnnc2SCC(=O)NC(C)(C)C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc6cc1C.n16nnnc17.C5C3=O.C4(C)(C)C.S57.N34 |
26467 | Cn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccco1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1] | Cn1c7nnc18.c16ccccc1.c18ccco1.C5C3=O.S57.O34.C46 |
26468 | NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 | [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][=C][C][=C][Ring1][=Branch1] | c16nnc7n14.c15ccccc1.c17ccco1.NC(=O)C3.S36.C45 |
26469 | CNC(=O)CSc1nnc(-c2ccco2)n1CC1CCCO1 | [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][C][O][Ring1][Branch1] | c17nnc8n15.c18ccco1.C16CCCO1.C3(=O)C4.CN3.S47.C56 |
26472 | CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccco1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | n15c6nnc17.N13CCCCC1.c17ccco1.C4C3=O.CC5.S46 |
26474 | CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | n15c6nnc17.N13CCOCC1.c17ccco1.C4C3=O.CC5.S46 |
26475 | CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccco1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | n16c7nnc18.c15cc(C)on1.c18ccco1.C4C3=O.CC6.S47.N35 |
26476 | Cc1cccc(C)c1NC(=O)CSc1nc(N)cc(N)n1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2] | Cc1cccc(C)c14.c15nc(N)cc(N)n1.C2(=O)C3.N24.S35 |
26477 | CCc1cc2ccccc2nc1SCC(=O)Nc1cc(C)on1 | [C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c16cc2ccccc2nc17.c15cc(C)on1.C4C3=O.CC6.S47.N35 |
26478 | CCc1cc2ccccc2nc1SCC(=O)Nc1nonc1C | [C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][C] | c16cc2ccccc2nc17.c15nonc1C.C4C3=O.CC6.S47.N35 |
26480 | CCc1cc2ccccc2nc1SCC(=O)N1CCOCC1 | [C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15cc2ccccc2nc16.N13CCOCC1.C4C3=O.CC5.S46 |
26481 | O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCc1cccs1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][C][=C][C][=C][S][Ring1][Branch1] | c17ccc(F)cc1.n15nnc7n1.c16cccs1.O=C3C5.N34.C46 |
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