ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1932319 | Cc1ncn(CC(O)c2ccc(C(F)(F)F)cc2)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring2][C] | Cc1ncn3c(=O)c1C.c14ccc5cc1.C3C4O.C5(F)(F)F |
1932320 | Cc1ncn(CC(C)(O)c2cccc(C(F)(F)F)c2)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][O][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][C] | Cc1ncn3c(=O)c1C.c14cccc5c1.C3C4(C)O.C5(F)(F)F |
1932321 | Cc1ncn(CC(O)COc2ccccc2)c(=O)c1C | [C][C][N][=C][N][Branch1][S][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C] | Cc1ncn5c(=O)c1C.c14ccccc1.C5C(O)C3.O34 |
1932322 | Cc1ncn(CC(O)COCc2cccs2)c(=O)c1C | [C][C][N][=C][N][Branch1][S][C][C][Branch1][C][O][C][O][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C] | Cc1ncn5c(=O)c1C.C5C(O)C3.c16cccs1.O34.C46 |
1932323 | Cc1ccc(C)c(OCC(O)Cn2cnc(C)c(C)c2=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Branch1] | n15cnc(C)c(C)c1=O.Cc1ccc(C)c4c1.C3C(O)C5.O34 |
1932324 | Cc1cc2c(=O)[nH]c(C3CC(=O)N(Cc4ccccc4)C3)nc2s1 | [C][C][=C][C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][C][=Ring2][Ring1][Ring2][S][Ring2][Ring1][#Branch1] | Cc1cc2c(=O)[nH]c7nc2s1.C17CC(=O)N5C1.c16ccccc1.C56 |
1932325 | CC(O)c1nc2ccccc2n1Cc1ncc(-c2cccc(F)c2)o1 | [C][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][N] | c14nc2ccccc2n13.c16cccc(F)c1.c15ncc6o1.CC4O.C35 |
1932326 | N#Cc1c(N2CCC(NC(=O)c3cccnc3)CC2)nc2ccccn12 | [N][#C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C][N][=C][C][=C][C][=C][N][Ring2][Ring1][Branch2][Ring1][=Branch1] | N#Cc1c5nc2ccccn12.N15CCC6CC1.c17cccnc1.C47=O.N46 |
1932328 | N#Cc1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nc2ccccn12 | [N][#C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][C][Ring1][#C][N][=C][C][=C][C][=C][N][Ring2][Ring1][Branch2][Ring1][=Branch1] | N#Cc1c4nc2ccccn12.N14CCN5CC1.c15ccc6cc1.C6(N)=O |
1932329 | CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2cscn2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][O][N][C][C][C][=C][S][C][=N][Ring1][Branch1][=C][Ring2][Ring1][C] | c15ccc(S(C)(=O)=O)c4c1.c16cscn1.CC5=O.C3C6.N34 |
1932330 | N#Cc1c(NCC2CCOC2c2ccccc2)nc2ccccn12 | [N][#C][C][=C][Branch2][Ring1][C][N][C][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring2][Ring1][=Branch1][Ring1][=Branch1] | N#Cc1c4nc2ccccn12.C15CCOC16.c16ccccc1.N34.C35 |
1932332 | CC(O)c1cccc(OCCOc2ccccc2C#N)c1 | [C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][#C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][Ring2][Ring1][C] | c16ccccc1C#N.c17cccc5c1.CC7O.C3C4.O35.O46 |
1932334 | CCOc1ccc(N2CCC(Cc3cnn(C)c3)C2)nn1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][N][N][=N][Ring2][Ring1][C] | c15ccc6nn1.N16CCC7C1.c18cnn(C)c1.CC4.O45.C78 |
1932335 | Cc1ncccc1OCC(=O)N1CCCC1c1cccs1 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | Cc1ncccc14.N12CCCC15.c15cccs1.C3C2=O.O34 |
1932336 | Cc1ncccc1OCc1ccc(C(=O)N2CCCC2)cc1 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N] | Cc1ncccc15.c17ccc6cc1.N13CCCC1.C36=O.O45.C47 |
1932337 | O=C1NCC2CN(c3cnc4cc(Cl)c(Cl)cc4n3)CCN12 | [O][=C][N][C][C][C][N][Branch2][Ring1][Branch1][C][=C][N][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Ring1][Branch2][=N][Ring1][N][C][C][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | c15cnc2cc(Cl)c(Cl)cc2n1.O=C1NCC2CN5CCN12 |
1932338 | CC(C)N(C1CCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 | [C][C][Branch1][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2] | S3(=O)(=O)c1ccc5nc1.C14CCC1.C5(F)(F)F.CC2C.N234 |
1932339 | NC(=O)c1ccc(CNC(=O)N(c2ccccc2)c2ccccc2)o1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=Branch1] | c18ccc9o1.c16ccccc1.c17ccccc1.NC8=O.C34=O.N467.C59.N35 |
1932341 | COc1cccc2c1CCN(C(=O)NCC1(C)CCCO1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][Ring1][S] | c15cccc2c1CCN3C2.C17(C)CCCO1.C34=O.CO5.N46.C67 |
1932342 | COC(=O)C12CCCC1CN(C(=O)Cc1c(C)noc1C)C2 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][Ring2][Ring1][C] | C125CCCC1CN4C2.c16c(C)noc1C.C4(=O)C6.C35=O.CO3 |
1932344 | O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cocn1 | [O][=C][Branch2][Ring1][#Branch2][O][C][C][=C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=N][Ring1][=N][C][=C][O][C][=N][Ring1][Branch1] | c17ccc(Cl)c(Cl)c1.c16cn7nn1.c15cocn1.O=C35.O34.C46 |
1932345 | CCCc1ccccc1NC(=O)N1CCCC(c2nncn2CC)C1 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][=N] | c17ccccc15.N14CCCC8C1.c18nncn16.CCC7.C34=O.N35.C6C |
1932346 | Cc1cc(Br)c2oc(C(=O)Nc3nc[nH]n3)cc2c1 | [C][C][=C][C][Branch1][C][Br][=C][O][C][Branch1][=N][C][=Branch1][C][=O][N][C][N][=C][NH1][N][=Ring1][Branch1][=C][C][Ring1][=N][=C][Ring2][Ring1][C] | Cc1cc(Br)c2oc6cc2c1.c15nc[nH]n1.C46=O.N45 |
1932347 | CN(CC1CC1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 | [C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][N][C][=Branch1][C][=O][C][O][Ring1][#Branch2] | c15cc2c(cc1Br)NC(=O)CO2.CN34.C16CC1.C35=O.C46 |
1932348 | CCn1cnnc1C1CCCN(C(=O)Nc2cc(OC)ccc2F)C1 | [C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][F][C][Ring2][Ring1][C] | c16cc5ccc1F.C18CCCN3C1.n17cnnc18.C34=O.CC7.N46.O5C |
1932349 | CCc1ccc(NC(=O)N2CCCC(c3nncn3CC)C2)cc1F | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F] | c18ccc6cc1F.N15CCCC9C1.c19nncn17.C45=O.CC8.N46.C7C |
1932350 | Cc1cc(C(=O)OCCCn2cccn2)cc(=O)[nH]1 | [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][N][C][=C][C][=N][Ring1][Branch1][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | Cc1cc5cc(=O)[nH]1.n16cccn1.C4CC6.C35=O.O34 |
1932351 | CN(C)c1ncncc1NC(=O)N1CCCC(c2nccs2)C1 | [C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | c15ncncc16.N14CCCC7C1.c17nccs1.CN5C.C34=O.N36 |
1932353 | Cc1cc(C(=O)OCc2nc(C3CC3)cs2)cc(=O)[nH]1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1] | Cc1cc6cc(=O)[nH]1.c17nc8cs1.C46=O.C18CC1.O45.C57 |
1932354 | CCC(C)(NC(=O)CNC(=O)c1cccc(F)c1)c1nccs1 | [C][C][C][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][C][=C][S][Ring1][Branch1] | c16cccc(F)c1.CCC47C.c17nccs1.C2(=O)C5.C36=O.N24.N35 |
1932356 | COc1cccc(C(=O)NCC(=O)N2CC(C)C2c2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | c15cccc7c1.N14CC(C)C18.c18ccccc1.C6C4=O.C37=O.CO5.N36 |
1932357 | COc1cccc2c1CCN(C(=O)NC(c1nc(C)no1)C(C)C)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1] | c15cccc2c1CCN3C2.c17nc(C)no1.C67C(C)C.C34=O.CO5.N46 |
1932358 | Cn1cc(CNC(=O)c2ccc[nH]2)c(-c2ccccc2)n1 | [C][N][C][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cn1cc6c7n1.c17ccccc1.c15ccc[nH]1.C35=O.C46.N34 |
1932359 | COc1cccc2c1CCN(C(=O)NCCc1cscn1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=N][Ring1][Branch1][C][Ring1][S] | c15cccc2c1CCN3C2.c17cscn1.C34=O.C6C7.CO5.N46 |
1932360 | CCCN(C(=O)NCc1cn(C)nc1-c1ccccc1)C1CC1 | [C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c17cn(C)nc18.c18ccccc1.CCC4.N246.C23=O.C16CC1.N35.C57 |
1932361 | Cc1ccccc1CNc1ccccc1NC(=O)c1c[nH]c(=O)cc1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C] | c16c[nH]c(=O)cc1C.Cc1ccccc17.c14ccccc15.C26=O.C37.N34.N25 |
1932362 | Cc1ccccc1CNc1ccccc1NC(=O)c1ccc(=O)n(C)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2] | c16ccc(=O)n(C)c1.Cc1ccccc17.c14ccccc15.C26=O.C37.N34.N25 |
1932364 | O=C(Cc1ccn[nH]1)NC12CC3CC(C1)CC(C(F)(F)F)(C3)C2 | [O][=C][Branch1][=Branch2][C][C][=C][C][=N][NH1][Ring1][Branch1][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][Ring2][C][Ring1][O][C][Ring1][=C] | C125CC3CC(C1)CC7(C3)C2.c16ccn[nH]1.O=C4C6.C7(F)(F)F.N45 |
1932365 | Cc1cc(NC(=O)c2coc3ccccc23)ccc1OCCO | [C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][C][C][O] | c18coc2ccccc12.Cc1cc7ccc16.C48=O.C5CO.N47.O56 |
1932366 | Cc1nccc(NC(=O)C2CCOC2C)c1Cl | [C][C][=N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][#C][Cl] | Cc1nccc4c1Cl.C15CCOC1C.C35=O.N34 |
1932367 | c1cc(CNc2nnc(CC3CC3)o2)c2ccncc2c1 | [C][=C][C][Branch2][Ring1][C][C][N][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][O][Ring1][=Branch2][=C][C][=C][N][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c1cc8c2ccncc2c1.c15nnc6o1.C17CC1.C48.N45.C67 |
1932368 | O=c1oc2cc(Cl)ccc2n1Cc1nc(C2CC2)n[nH]1 | [O][=C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2] | O=c1oc2cc(Cl)ccc2n13.c14nc5n[nH]1.C15CC1.C34 |
1932369 | Nc1nc(Cn2nc(-c3ccco3)oc2=O)nc2ccccc12 | [N][C][=N][C][Branch2][Ring1][Ring1][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][Ring1][#Branch2][=O][=N][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Nc1nc5nc2ccccc12.n14nc6oc1=O.c16ccco1.C45 |
1932371 | CC(C)n1c(N)nnc1SCc1nnc(C2CC2)n1C1CC1 | [C][C][Branch1][C][C][N][C][Branch1][C][N][=N][N][=C][Ring1][=Branch1][S][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][C][Ring1][Ring1] | n14c7nnc1N.c15nnc8n16.CC4C.C18CC1.C16CC1.S37.C35 |
1932372 | Cc1cc(=O)n(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)cn1 | [C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][=C][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=N][Ring1][=N][C][=N][Ring2][Ring1][Branch1] | Cc1cc(=O)n4cn1.c16ccc(F)c(Cl)c1.c15cn6nn1.C45 |
1932373 | N#Cc1cc(Br)ccc1N1CCCC(Cn2cncn2)C1 | [N][#C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][N] | N#Cc1cc(Br)ccc13.N13CCCC5C1.n14cncn1.C45 |
1932374 | C#CCN1CCN(Cc2nc(-c3cccs3)n[nH]2)CC1 | [C][#C][C][N][C][C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][C][Ring1][P] | N14CCN5CC1.c16nc7n[nH]1.c17cccs1.C#CC4.C56 |
1932375 | CC(NCC(C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccncc1 | [C][C][Branch2][Ring1][N][N][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc(S(C)(=O)=O)cc1.c14ccncc1.C3C5(C)O.CC24.N23 |
1932376 | COC(=O)Nc1ccc(NCc2ccnn2C)cc1F | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][=C][F] | c16ccc7cc1F.c18ccnn1C.C34=O.CO3.N46.N57.C58 |
1932377 | COC(=O)Nc1ccc(NCc2ccc(C)o2)cc1F | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring1][=C][F] | c16ccc7cc1F.c18ccc(C)o1.C34=O.CO3.N46.N57.C58 |
1932378 | CCn1nccc1CNc1ccc(NC(=O)OC)c(F)c1 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][Branch1][C][F][=C][Ring1][N] | c15ccc6c(F)c1.n17nccc18.C23=O.CC7.C48.N45.N36.O2C |
1932379 | COc1ccc(S(=O)(=O)N(C)CCCn2ccnc2)c(C)c1F | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][F] | c13ccc(S5(=O)=O)c(C)c1F.n16ccnc1.C4CC6.N45C.CO3 |
1932380 | COc1cc(NC(=O)N(C)Cc2ccc(F)cc2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=N][Ring2][Ring1][Ring1] | c15cc7ncn1.c18ccc(F)cc1.C34=O.N46C.CO5.N37.C68 |
1932381 | COc1cc(NC(=O)NC(C)c2ccccc2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][C] | c15cc7ncn1.c18ccccc1.C34=O.C68C.CO5.N37.N46 |
1932382 | CC(=O)c1ccc(NC(=O)Nc2cnn(C)c2)cc1Cl | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][S][Cl] | c17ccc5cc1Cl.c16cnn(C)c1.CC7=O.C34=O.N35.N46 |
1932383 | CC(=O)NCC(OC(=O)c1cncc2ccccc12)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cncc2ccccc12.c18ccccc1.C6C58.CC4=O.C37=O.N46.O35 |
1932384 | COC1CCC(OC(=O)c2cncc3ccccc23)CC1 | [C][O][C][C][C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c17cncc2ccccc12.C15CCC6CC1.C47=O.CO5.O46 |
1932385 | COC(=O)C1CC(OC)CN1C(C)Cc1ccsc1 | [C][O][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][O][C][C][N][Ring1][#Branch1][C][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1] | C15CC3CN14.c16ccsc1.C4(C)C6.C25=O.CO2.O3C |
1932386 | Cn1cc(C2(C)CN(Cc3cc(Cl)cc4c3OCC4)CCO2)cn1 | [C][N][C][=C][Branch2][Ring1][P][C][Branch1][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][Branch1][C][C][O][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch1] | c16cc(Cl)cc2c1OCC2.C17(C)CN5CCO1.Cn1cc7cn1.C56 |
1932387 | Cc1cc(COC(=O)c2csnc2C)nc(N2CCCCC2)n1 | [C][C][=C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc7nc5n1.c16csnc1C.N15CCCCC1.C36=O.C47.O34 |
1932388 | CCCC(=O)N1CCCC1C(=O)Nc1ncnc2[nH]c(C)c(C)c12 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=N][C][NH1][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1] | c15ncnc2[nH]c(C)c(C)c12.N13CCCC16.CCCC3=O.C46=O.N45 |
1932389 | COc1cccc(C(=O)Nc2ncnc3[nH]c(C)c(C)c23)c1F | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=N][C][=N][C][NH1][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][=C][Ring2][Ring1][Ring2][F] | c16ncnc2[nH]c(C)c(C)c12.c15cccc7c1F.C47=O.CO5.N46 |
1932390 | FC(F)CN1CCC(Nc2cccc(-c3ncon3)c2)CC1 | [F][C][Branch1][C][F][C][N][C][C][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][=C][Ring1][O][C][C][Ring2][Ring1][C] | N14CCC6CC1.c15cccc7c1.c17ncon1.FC(F)C4.N56 |
1932391 | O=C(C(c1ccccc1)C1CC1)N1CCc2cnccc21 | [O][=C][Branch1][P][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2cnccc21.c15ccccc1.O=C3C45.C14CC1 |
1932392 | O=C(c1ncoc1-c1ccccc1Cl)N1CCc2cnccc21 | [O][=C][Branch1][P][C][N][=C][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2cnccc21.c15ccccc1Cl.c14ncoc15.O=C34 |
1932393 | CC(C)CC1(C(=O)N2CCc3cnccc32)CCC1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][Ring1][#C] | N14CCc2cnccc21.C156CCC1.CC(C)C6.C45=O |
1932394 | Cn1cnc(-c2cccc(NC(=O)C3CCCO3)c2)n1 | [C][N][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=C][=N][Ring2][Ring1][Ring1] | c17cccc5c1.Cn1cnc7n1.C16CCCO1.C46=O.N45 |
1932395 | Cn1cnc(-c2cccc(NC(=O)c3ccoc3)c2)n1 | [C][N][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][=C][=N][Ring2][Ring1][Ring1] | c17cccc5c1.Cn1cnc7n1.c16ccoc1.C46=O.N45 |
1932396 | O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cnccn1 | [O][=C][Branch2][Ring1][=C][N][C][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c17cccc6c1.c14ccn7n1.c15cnccn1.C6(F)(F)F.O=C35.N34 |
1932397 | O=C1CC(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CN1 | [O][=C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=Ring1][#C][C][N][Ring2][Ring1][#Branch1] | c18cccc7c1.O=C1CC6CN1.c15ccn8n1.C7(F)(F)F.C46=O.N45 |
1932398 | Cn1cnc(-c2cccc(NC(=O)c3ccc[nH]3)c2)n1 | [C][N][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][=C][Ring1][=C][=N][Ring2][Ring1][Ring1] | c17cccc5c1.Cn1cnc7n1.c16ccc[nH]1.C46=O.N45 |
1932399 | Cc1ccc(CN(CCO)C(=O)Cc2cccc(O)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.c17cccc(O)c1.C3(=O)C7.N345.C5CO.C46 |
1932400 | CCc1[nH]nc(NC2CCN(CC(=O)OC)CC2)c1C | [C][C][C][NH1][N][=C][Branch2][Ring1][Ring1][N][C][C][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][C][Ring1][O][C][=Ring1][P][C] | c17[nH]nc5c1C.C16CCN4CC1.C4C3=O.CC7.N56.O3C |
1932401 | COC(=O)CN1CCC(Nc2ccc3c(c2)nc(C2CC2)n3C)CC1 | [C][O][C][=Branch1][C][=O][C][N][C][C][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][=Branch2][C][C][C][Ring2][Ring1][Ring2] | c16ccc2c(c1)nc8n2C.N15CCC7CC1.C4(=O)C5.C18CC1.CO4.N67 |
1932402 | O=C(CCc1cc(F)ccc1Br)NCC1CCCO1 | [O][=C][Branch1][#C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br][N][C][C][C][C][C][O][Ring1][Branch1] | c15cc(F)ccc1Br.O=C2CC5.C14CCCO1.N23.C34 |
1932403 | CC(=O)NCCc1nc(Cc2ccccc2)cs1 | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c15nc6cs1.c17ccccc1.CC3=O.C4C5.N34.C67 |
1932404 | COC(=O)c1ccc(-c2nc3cc(F)ccc3c(=O)[nH]2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N][C][=C][Ring2][Ring1][C] | c16nc2cc(F)ccc2c(=O)[nH]1.c15ccc6cc1.C45=O.CO4 |
1932405 | O=c1[nH]c(CCn2nnc3ccccc32)nc2cc(F)ccc12 | [O][=C][NH1][C][Branch1][S][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][#Branch1] | O=c1[nH]c5nc2cc(F)ccc12.n14nnc2ccccc21.C5C4 |
1932406 | CC(O)COc1cccc(-c2nc3cc(F)ccc3c(=O)[nH]2)c1 | [C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N][=C][Ring2][Ring1][C] | c16nc2cc(F)ccc2c(=O)[nH]1.c15cccc6c1.CC(O)C4.O45 |
1932407 | COCc1noc(C(C)Sc2nc(-c3cccs3)n[nH]2)n1 | [C][O][C][C][=N][O][C][Branch2][Ring1][=Branch1][C][Branch1][C][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][=N][Ring2][Ring1][C] | c16noc7n1.c18nc9n[nH]1.c19cccs1.C57C.CO4.C46.S58 |
1932408 | COc1ncc(NCc2cn(C)nc2C2CCCCC2)cc1C(N)=O | [C][O][C][=N][C][=C][Branch2][Ring1][Branch1][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O] | c13ncc5cc16.c17cn(C)nc18.C18CCCCC1.C6(N)=O.CO3.N45.C47 |
1932410 | CNC(=O)C(Cc1ccccc1)Sc1nncn1-c1ccccc1 | [C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C3C4.c14ccccc1.c16nncn15.c15ccccc1.CN2.S36 |
1932412 | CCOc1cccc(Cn2cnc3c(cnn3C(C)C)c2=O)n1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=N][C][=C][Branch1][O][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][Ring1][N][=O][=N][Ring2][Ring1][Ring2] | n16cnc2c(cnn27)c1=O.c15cccc8n1.C7(C)C.CC4.O45.C68 |
1932413 | Cc1ncn(CC(O)COc2ccccc2C(F)(F)F)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][C] | Cc1ncn5c(=O)c1C.c14ccccc16.C5C(O)C3.C6(F)(F)F.O34 |
1932414 | CC(=O)Nc1nc(Cn2cnc3cc(F)c(C)cc3c2=O)cs1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][#Branch1][C][N][C][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][Ring1][N][=O][=C][S][Ring2][Ring1][Ring1] | n16cnc2cc(F)c(C)cc2c1=O.c15nc7cs1.CC4=O.N45.C67 |
1932415 | COC(=O)C1(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] | c17ccc(Cl)cc1Cl.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1932416 | CC(=O)c1cc(Br)cc(F)c1OCc1noc(C)n1 | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][F][=C][Ring1][Branch2][O][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1] | c14cc(Br)cc(F)c13.c15noc(C)n1.CC4=O.O23.C25 |
1932418 | CCC(C)C(=O)N1CCCC(C(=O)N(C)c2ncccc2C#N)C1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][Ring2][Ring1][C] | c15ncccc1C#N.N13CCCC6C1.CCC(C)C3=O.C46=O.N45C |
1932419 | CN(C(=O)c1ncn(-c2ccccc2)n1)c1ncccc1C#N | [C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N] | c14ncccc1C#N.c15ncn6n1.c16ccccc1.CN34.C35=O |
1932420 | CSc1ccc(NC(=O)c2ccccc2-n2ccnn2)cn1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=N][Ring1][Branch1][C][=N][Ring2][Ring1][Ring2] | c17ccc4cn1.c15ccccc16.n16ccnn1.C35=O.CS7.N34 |
1932422 | NC(=O)C1CCC(CNC(=O)c2ccccc2-n2ccnn2)CC1 | [N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring2][Ring1][Branch1] | C15CCC7CC1.c16ccccc18.n18ccnn1.NC5=O.C36=O.C47.N34 |
1932423 | CC(C)(C)c1noc(C2(NC(=O)Cn3ccnn3)CCCCC2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Branch2][C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=C][N][=N][Ring1][Branch1][C][C][C][C][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | C158CCCCC1.c17noc8n1.n16ccnn1.CC7(C)C.C4(=O)C6.N45 |
1932424 | CCn1c(=NC(=O)c2ccon2)[nH]c2cc(F)ccc21 | [C][C][N][C][=Branch1][=N][=N][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C] | n14c(=NC3=O)[nH]c2cc(F)ccc21.c13ccon1.CC4 |
1932425 | CC(C#N)N1CCOC(c2nc(C(C)(C)C)cs2)C1 | [C][C][Branch1][Ring1][C][#N][N][C][C][O][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][C][Ring1][#C] | N13CCOC5C1.c15nc4cs1.CC3C#N.C4(C)(C)C |
1932426 | CC(C#N)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 | [C][C][Branch1][Ring1][C][#N][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][#C] | N13CCN4C(=O)C1.c15ccc(Cl)cc1.CC3C#N.C45 |
1932427 | c1ccc(Cc2nnc(NCCc3cscn3)s2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=N][N][=C][Branch1][O][N][C][C][C][=C][S][C][=N][Ring1][Branch1][S][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c1ccc8cc1.c16nnc5s1.c17cscn1.C4C7.C68.N45 |
1932428 | CS(=O)(=O)c1ccc(NCC(O)c2cc3ccccc3s2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | CS(=O)(=O)c1ccc5cc1.c16cc2ccccc2s1.C4C6O.N45 |
1932429 | COC(C)C(=O)Nc1nc(Cc2ccccc2)cs1 | [C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c15nc6cs1.c17ccccc1.C4(C)C3=O.CO4.N35.C67 |
1932430 | CC(=O)NCC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c16nc7cs1.c18ccccc1.C5C4=O.CC3=O.N35.N46.C78 |
1932431 | CC(C)c1nccc(N2CCOCC2C(N)=O)n1 | [C][C][Branch1][C][C][C][=N][C][=C][C][Branch1][=C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][#C] | c15nccc3n1.N13CCOCC14.CC5C.C4(N)=O |
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