ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1922304 | CC1(C)CNC(=O)c2nc(CCn3cccn3)[nH]c2C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][NH1][C][=Ring1][N][C][Ring2][Ring1][Ring1] | CC1(C)CNC(=O)c2nc5[nH]c2C1.n14cccn1.C5C4 |
1922305 | COc1ccnc(CNc2cc(C3CC3)ncn2)c1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][C][C][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=N][Ring1][=Branch2][=C][Ring1][P] | c14ccnc7c1.c16cc8ncn1.C18CC1.CO4.C57.N56 |
1922306 | CC(=O)c1cnc(NC(C)C(O)c2ccc(O)cc2)nc1C | [C][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][C] | c15cnc4nc1C.c16ccc(O)cc1.C3(C)C6O.CC5=O.N34 |
1922307 | COc1ccc(-c2cn(CC(=O)Nc3ccc(C)cc3F)nn2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][F][N][=N][Ring1][P][C][=N][Ring2][Ring1][#Branch1] | c16ccc(C)cc1F.c15ccc8cn1.c18cn7nn1.C7C4=O.CO5.N46 |
1922308 | CCc1csc(CCNC(=O)C(c2cccnc2)N2CCCC2)n1 | [C][C][C][=C][S][C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][=Branch1] | c16csc7n1.c18cccnc1.C3(=O)C58.N15CCCC1.C7C4.CC6.N34 |
1922309 | CC1CN(C2CCN(c3ncc(Cl)cc3F)CC2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][C][Ring1][=C][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] | CC1CN5CC(C)O1.c14ncc(Cl)cc1F.C15CCN4CC1 |
1922310 | CN(CC1CCN(c2ccccc2)C1)C(=O)c1cccc2c1ccn2C | [C][N][Branch2][Ring1][Ring1][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C] | c16cccc2c1ccn2C.C17CCN5C1.c15ccccc1.CN34.C36=O.C47 |
1922311 | COc1cc(OC)cc(C(O)CNc2ncnc3cc(F)ccc23)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][N][C][=N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1] | c17ncnc2cc(F)ccc12.c14cc5cc8c1.C8(O)C6.CO4.O5C.N67 |
1922312 | CCCN1CCCC2(CCN(c3cccc(C(=O)NC)n3)C2)C1=O | [C][C][C][N][C][C][C][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=N][Ring1][#Branch2][C][Ring1][#C][C][Ring2][Ring1][Ring2][=O] | N17CCCC2(CCN5C2)C1=O.c15cccc6n1.CCC7.C46=O.N4C |
1922313 | Cc1cc(CC2COCC2NC(=O)c2c[nH]c(=O)cn2)on1 | [C][C][C][=C][Branch2][Ring1][=Branch2][C][C][C][O][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][=N][Ring1][#Branch1][O][N][=Ring2][Ring1][Branch1] | c15c[nH]c(=O)cn1.Cc1cc6on1.C17COCC14.C35=O.C67.N34 |
1922314 | Cc1cc(C)c2c(N3CCC4(CC3)CC(O)CO4)ncnc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][O][Ring1][Branch2][=N][C][=N][C][Ring1][P][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)c2c5ncnc2n1.N15CCC2(CC1)CC(O)CO2 |
1922315 | CCCc1nnc(N2CCN(c3ncccn3)CC2)o1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][O][Ring1][P] | N14CCN5CC1.c16nnc4o1.c15ncccn1.CCC6 |
1922316 | CCc1nc(C)sc1CN1C(=O)CSc2ccccc21 | [C][C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | C4N1C(=O)CSc2ccccc21.c13nc(C)sc14.CC3 |
1922317 | Cc1cnn(CC2CCN(c3nc(C)nc4c3cnn4C)CC2)c1 | [C][C][C][=N][N][Branch2][Ring1][=C][C][C][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][=N][N][Ring1][Branch1][C][C][C][Ring1][P][C][=Ring2][Ring1][#Branch1] | c15nc(C)nc2c1cnn2C.C17CCN5CC1.Cc1cnn6c1.C67 |
1922319 | Cc1cccc(CN2CC3c4ccccc4OCC3(CO)C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#Branch2][Branch1][Ring1][C][O][C][Ring1][#C][=N][Ring2][Ring1][=Branch1] | N15CC2c3ccccc3OCC27C1.Cc1cccc6n1.C56.C7O |
1922320 | CCCc1cc(-c2nc(CCOC)no2)n(C)n1 | [C][C][C][C][C][=C][Branch1][=C][C][=N][C][Branch1][Branch1][C][C][O][C][=N][O][Ring1][=Branch2][N][Branch1][C][C][N][=Ring1][#C] | c14cc6n(C)n1.c16nc5no1.CCC4.C5C3.O3C |
1922321 | CCc1nc2ccccc2n1C(CC)C(=O)N1CC(O)C1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][Ring1][Branch1] | c15nc2ccccc2n14.C4(CC)C3=O.N13CC(O)C1.CC5 |
1922322 | CN(C)C(C(=O)N1CCC2(CCCO2)CC1)c1cccc(F)c1 | [C][N][Branch1][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][C][C][O][Ring1][Branch1][C][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | N13CCC2(CCCO2)CC1.c15cccc(F)c1.C45C3=O.CN4C |
1922323 | Cc1csc(CCCNC(=O)C2CCN(C(=O)C3CC3)CC2)n1 | [C][C][=C][S][C][Branch2][Ring1][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][=N][Ring2][Ring1][=Branch1] | C17CCN5CC1.Cc1csc9n1.C9CC6.C47=O.C58=O.C18CC1.N46 |
1922324 | O=c1c2ccccc2c2ccccc2n1CC1COCCO1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C][C][C][C][O][C][C][O][Ring1][=Branch1] | O=c1c2ccccc2c2ccccc2n13.C14COCCO1.C34 |
1922325 | Cc1ccc(F)c(CNC(=O)C(c2ccc(F)cc2)N(C)C)c1F | [C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1][F] | Cc1ccc(F)c6c1F.c17ccc(F)cc1.C3(=O)C57.N5(C)C.C46.N34 |
1922326 | COc1cccc2c1OCC(C(=O)N(C)Cc1cc(C(C)C)on1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][N][=Ring1][Branch2][C][Ring2][Ring1][Ring1] | c14cccc2c1OCC6C2.c17cc8on1.C36=O.N35C.C8(C)C.CO4.C57 |
1922328 | Cc1ccccc1C(C(=O)NC(C)(C)CN1CCOCC1)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][N][Branch1][C][C][C] | Cc1ccccc16.N15CCOCC1.C36C2=O.C4(C)(C)C5.N3(C)C.N24 |
1922329 | Cc1cc(C)n(C2CCN(c3cc(C(C)C)ncn3)C2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][S][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=N][Ring1][=Branch2][C][Ring1][=C][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n6n1.c14cc5ncn1.C16CCN4C1.C5(C)C |
1922331 | CSc1ccccc1C(=O)C1CCCN(c2nnc(C)o2)C1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][N][Branch1][O][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][Ring1][N] | c16ccccc15.C14CCCN3C1.c13nnc(C)o1.C45=O.CS6 |
1922332 | Cc1nc(NCCSc2ccccn2)c2c(C)noc2n1 | [C][C][=N][C][Branch1][=N][N][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][Branch1][C][C][=N][O][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1nc5c2c(C)noc2n1.c16ccccn1.C3C4.N35.S46 |
1922333 | Cc1nnc(CN2CCCC(c3nnc(Cn4cccn4)n3C)C2)o1 | [C][C][=N][N][=C][Branch2][Ring1][S][C][N][C][C][C][C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][Ring1][O][C][C][Ring2][Ring1][C][O][Ring2][Ring1][Branch2] | N15CCCC9C1.c19nnc8n1C.Cc1nnc7o1.n16cccn1.C57.C68 |
1922334 | c1cncc(OCCCNc2nnc(C3CCC3)o2)c1 | [C][=C][N][=C][C][Branch2][Ring1][Branch1][O][C][C][C][N][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c1cncc5c1.c17nnc8o1.C4CC6.C18CCC1.O45.N67 |
1922335 | CCc1cnc(NCC2CC(=O)N(C3CC3)C2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][N][=C][Ring1][P] | c17cnc5nc1.C16CC(=O)N8C1.C18CC1.CC7.N45.C46 |
1922336 | Cc1nc(N(C)C)ncc1C(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 | [C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][N][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][=N] | Cc1nc5ncc17.N13CCN4CC1.c16nc[nH]n1.N5(C)C.C37=O.C46=O |
1922337 | CCc1cnc(NCc2csc(-c3ncccn3)n2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][=C][S][C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][N][=C][Ring2][Ring1][Ring1] | c17cnc5nc1.c16csc8n1.c18ncccn1.CC7.N45.C46 |
1922338 | COc1ccc2c(c1)CCN(c1ncccc1C#N)CC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][S] | c13ccc2c(c1)CCN4CC2.c14ncccc1C#N.CO3 |
1922339 | Cc1nc(N2CCCC3(CC2)CNC(=O)O3)c2cnn(C)c2n1 | [C][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][O][Ring1][Branch2][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | N14CCCC2(CC1)CNC(=O)O2.Cc1nc4c2cnn(C)c2n1 |
1922340 | COc1cccc2c1OCC(C(=O)NCC1(C)COC1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][O][C][Ring1][Branch1][C][Ring1][#C] | c14cccc2c1OCC6C2.C17(C)COC1.C36=O.CO4.N35.C57 |
1922341 | c1nc(C2CC2)cc(N2CCC(c3ncon3)CC2)n1 | [C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][C][C][Ring1][O][=N][Ring2][Ring1][Ring2] | c1nc4cc5n1.N14CCC6CC1.c16ncon1.C15CC1 |
1922342 | Cc1ccccc1C(C(=O)N(C)CC1(CO)CCC1)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][Ring1][C][O][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C] | Cc1ccccc17.C37C2=O.C156CCC1.N24C.N3(C)C.C45.C6O |
1922343 | Cc1nc(N2CCCOC(Cn3cccn3)C2)c2cccnc2n1 | [C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][O][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][Ring1][=N][=C][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | Cc1nc4c2cccnc2n1.N14CCCOC6C1.n15cccn1.C56 |
1922344 | COc1ccsc1C(=O)Nc1cccc(Cn2ccccc2=O)c1 | [C][O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][Ring1][=C] | c15cccc8c1.n17ccccc1=O.c14ccsc16.C36=O.CO4.N35.C78 |
1922345 | O=C(OCC(=O)N1CCCC1)C1CCCN(c2nccs2)C1 | [O][=C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | C17CCCN6C1.N14CCCC1.c16nccs1.C5C4=O.O=C37.O35 |
1922346 | CCC(CCNC(=O)c1sccc1OC)N1CCCC1=O | [C][C][C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][O][C][N][C][C][C][C][Ring1][Branch1][=O] | CCC6CC4.c15sccc13.N16CCCC1=O.C25=O.N24.O3C |
1922347 | Cc1ccc2c(c1C)OCC2NC(=O)CN1Cc2ccccc2C1=O | [C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][O][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O] | Cc1ccc2c(c1C)OCC2N3.N14Cc2ccccc2C1=O.C3(=O)C4 |
1922348 | CC1CN(Cc2nc(N)c3ccccc3n2)CCN1c1nccs1 | [C][C][C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][C][C][N][Ring2][Ring1][C][C][=N][C][=C][S][Ring1][Branch1] | c16nc(N)c2ccccc2n1.CC1CN4CCN15.c15nccs1.C46 |
1922350 | Cc1nc(-c2ccc(NC(=O)C3CC3c3ccco3)cc2)oc1C | [C][C][N][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][O][C][=Ring2][Ring1][=Branch1][C] | Cc1nc8oc1C.c18ccc5cc1.c17ccco1.C16CC17.C46=O.N45 |
1922351 | CCn1nc(C)c(CNC(=O)C(c2cccc(C)c2)N(C)C)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][Branch1][C] | n16nc(C)c7c1C.c18cccc(C)c1.C3(=O)C58.N5(C)C.CC6.C47.N34 |
1922352 | CN(C)c1nc(N(C)CCn2cccn2)ncc1F | [C][N][Branch1][C][C][C][=N][C][Branch1][=C][N][Branch1][C][C][C][C][N][C][=C][C][=N][Ring1][Branch1][=N][C][=C][Ring1][#C][F] | c14nc5ncc1F.n16cccn1.CN4C.N35C.C3C6 |
1922353 | Cc1cnc(CNC(=O)c2cc(S(N)(=O)=O)ccc2F)cn1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][F][C][=N][Ring2][Ring1][Branch1] | c15cc(S(N)(=O)=O)ccc1F.Cc1cnc6cn1.C35=O.C46.N34 |
1922354 | Cc1nc2ccc(C(=O)NCc3cnc4c(C)cccn34)cc2nc1C | [C][C][=N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][N][=C][C][Branch1][C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][Branch2][C] | Cc1nc2ccc7cc2nc1C.c18cnc2c(C)cccn12.C57=O.N56.C68 |
1922355 | Cc1cc(C)cc(-n2nc(CC(N)=O)nc2Cc2cccnc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][N][N][=C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][=C][Ring1][=Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | Cc1cc6cc(C)c1.n16nc3nc14.c15cccnc1.C3C(N)=O.C45 |
1922356 | O=C(C(c1cccnc1)N1CCOCC1)N1Cc2ccccc2C1 | [O][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | N13Cc2ccccc2C1.c15cccnc1.N14CCOCC1.O=C3C45 |
1922357 | O=c1c2ccccc2sn1Cc1nnc(C2CC2)o1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][N][Ring1][=Branch2][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2] | O=c1c2ccccc2sn13.c14nnc5o1.C15CC1.C34 |
1922358 | COCCN1CCCC2(CCN(c3cc(C)c(C#N)c(C)n3)C2)C1=O | [C][O][C][C][N][C][C][C][C][Branch2][Ring1][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=N][Ring1][#Branch2][C][Ring1][#C][C][Ring2][Ring1][Ring2][=O] | N16CCCC2(CCN5C2)C1=O.c15cc(C)c(C#N)c(C)n1.C4C6.CO4 |
1922359 | CCCc1noc(-c2ccc(-c3cc[nH]n3)cc2)n1 | [C][C][C][C][=N][O][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][=N][Ring1][S] | c15ccc6cc1.c14noc5n1.c16cc[nH]n1.CCC4 |
1922360 | Cc1nc(NCc2ccc3c(c2)CCCC3)c2c(C)noc2n1 | [C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=C][C][Branch1][C][C][=N][O][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1nc5c2c(C)noc2n1.c16ccc2c(c1)CCCC2.N45.C46 |
1922361 | O=C1NCCCc2[nH]c(CCc3ccncc3)nc21 | [O][=C][N][C][C][C][C][NH1][C][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring2][Ring1][C] | O=C1NCCCc2[nH]c4nc21.c15ccncc1.C4C5 |
1922362 | COC1CCCOC12CCN(c1nc(N)nc3c1CCCC3)CC2 | [C][O][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P] | C14CCCOC12CCN5CC2.c15nc(N)nc2c1CCCC2.CO4 |
1922363 | O=C(NCC1CCc2ccccc2O1)c1cnc(-c2cccnc2)nc1 | [O][=C][Branch1][P][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N] | C16CCc2ccccc2O1.c15cnc7nc1.c17cccnc1.O=C35.N34.C46 |
1922364 | Cc1nc2ccc(-c3nc(CN4CCOCC4)no3)cc2nc1C | [C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=C][Ring2][Ring1][=Branch1][C] | Cc1nc2ccc7cc2nc1C.c17nc6no1.N15CCOCC1.C56 |
1922365 | Cn1ccnc1SCCNC(=O)c1ccc(-c2cc[nH]n2)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O] | c16ccc8cc1.Cn1ccnc17.c18cc[nH]n1.C5C4.C36=O.S57.N34 |
1922366 | O=C(NC1CCC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][Ring1][N][C][=Ring1][S] | c16ccc2nc7cn2c1.c17ccc(F)cc1.C15CCC1.O=C46.N45 |
1922367 | CCCCSc1nc(N)cc(N2CCOC(CCO)C2)n1 | [C][C][C][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][=C][N][C][C][O][C][Branch1][Ring2][C][C][O][C][Ring1][=Branch2][=N][Ring1][S] | c16nc4cc(N)n1.N14CCOC5C1.CCCC3.C5CO.S36 |
1922368 | Cc1ncsc1CCc1nc(CN2CCOCC2)no1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][C][C][=N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][N] | Cc1ncsc14.c15nc6no1.N13CCOCC1.C4C5.C36 |
1922369 | COc1nccc(N2CC3CCC(C2)N(CC=C(C)C)C3=O)c1C#N | [C][O][C][=N][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Ring1][N][=O][=C][Ring2][Ring1][Branch1][C][#N] | N15CC2CCC(C1)N7C2=O.c14nccc5c1C#N.C7C=6.C=6(C)C.CO4 |
1922370 | COc1cccc(-c2cc(CNc3cc(C4CC4)ncn3)on2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][C][=C][Branch2][Ring1][C][C][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=N][Ring1][=Branch2][O][N][=Ring1][S][=C][Ring2][Ring1][=Branch1] | c15cccc%10c1.c17cc9ncn1.c1%10cc8on1.C19CC1.CO5.C68.N67 |
1922371 | CN(Cc1ccccc1)c1cnn(CC2CCCCO2)c(=O)c1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C] | c14cnn5c(=O)c1.c17ccccc1.C16CCCCO1.CN34.C37.C56 |
1922372 | CN(C)C(C(=O)NCC1(C)COC1)c1cccc(F)c1 | [C][N][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.C36C2=O.C15(C)COC1.CN3C.N24.C45 |
1922373 | CC(c1cncs1)N(C)C(=O)C1CCN(C(=O)C2CC2)CC1 | [C][C][Branch1][Branch2][C][=C][N][=C][S][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C16CCN4CC1.c18cncs1.CC58.N35C.C36=O.C47=O.C17CC1 |
1922374 | CC(=O)NC1Cc2ccccc2C1Nc1nnc(C2CC2)o1 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2] | C15Cc2ccccc2C1N4.c14nnc6o1.CC3=O.C16CC1.N35 |
1922376 | Cc1ncnc(NCCCn2cc(Cl)cn2)c1C | [C][C][=N][C][=N][C][Branch1][#C][N][C][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][=C][Ring1][S][C] | Cc1ncnc4c1C.n15cc(Cl)cn1.C3CC5.N34 |
1922377 | Cn1c(N2CCC(O)C2)nc2cc(C(=O)NCC3CCCO3)ccc21 | [C][N][C][Branch1][O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Branch2] | Cn1c6nc2cc7ccc21.N16CCC(O)C1.C18CCCO1.C47=O.N45.C58 |
1922378 | CCNc1nc(C)c(C(=O)NCC2CCOc3ccccc3C2)s1 | [C][C][N][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][S][Ring2][Ring1][Branch1] | C19CCOc2ccccc2C1.c17nc(C)c8s1.C48=O.CC5.N57.N46.C69 |
1922379 | COc1cccc(OCC(O)CNc2ncnc3onc(C)c23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][Branch1][C][O][C][N][C][=N][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c18ncnc2onc(C)c12.c15cccc6c1.C4C(O)C7.CO5.O46.N78 |
1922380 | COc1cccc(CNC(=O)C(c2cccc(F)c2)N(C)C)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][Branch1][O][C] | c14cccc8c15.c19cccc(F)c1.C3(=O)C79.N7(C)C.CO4.C68.N36.O5C |
1922381 | COc1ccnc(Cn2c(=O)ccc3ccccc32)c1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | n15c(=O)ccc2ccccc21.c14ccnc6c1.CO4.C56 |
1922382 | CN(C)C(C(=O)NC1(C(N)=O)CCCC1)c1cccc(F)c1 | [C][N][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.C145CCCC1.C36C2=O.CN3C.C5(N)=O.N24 |
1922383 | CC1(Cc2ccc3c(c2)OCO3)CCCN(c2nc(CO)cs2)C1 | [C][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=N][C][Branch1][Ring1][C][O][=C][S][Ring1][#Branch1][C][Ring2][Ring1][#Branch1] | c17ccc2c(c1)OCO2.CC16CCCN4C1.c14nc5cs1.C67.C5O |
1922384 | CN1C(=O)C2CCC1CN(C(=O)c1ccccc1-c1ccccc1)C2 | [C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1] | CN1C(=O)C2CCC1CN3C2.c14ccccc15.c15ccccc1.C34=O |
1922386 | CCCN1CCCC2(CCN(c3ccc(Cl)cn3)C2)C1=O | [C][C][C][N][C][C][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Ring1][N][C][Ring1][P][=O] | N15CCCC2(CCN4C2)C1=O.c14ccc(Cl)cn1.CCC5 |
1922387 | Cc1nncn1CCn1ccc2ccccc2c1=O | [C][C][=N][N][=C][N][Ring1][Branch1][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n14ccc2ccccc2c1=O.Cc1nncn13.C3C4 |
1922388 | O=c1c2cccnc2ccn1Cc1noc(C2CCCO2)n1 | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][N][Ring1][#Branch2][C][C][=N][O][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][Ring1][#Branch2] | O=c1c2cccnc2ccn13.c14noc5n1.C15CCCO1.C34 |
1922389 | O=C(c1nccc2ccccc12)N1CCC(Cc2ccc(CO)cc2)C1 | [O][=C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][Ring1][=C] | c14nccc2ccccc12.c16ccc7cc1.N13CCC5C1.O=C34.C56.C7O |
1922390 | CCc1nc(N)nc(N2CCC3(O)CCN(C(C)=O)CC3C2)c1C | [C][C][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][C][O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][#Branch2][C][Ring1][=C][=C][Ring2][Ring1][Branch1][C] | N15CCC2(O)CCN4CC2C1.c16nc(N)nc5c1C.C4(C)=O.CC6 |
1922391 | CN(C)C(C(=O)NCCCn1cnnc1)c1cccc(F)c1 | [C][N][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.C36C2=O.n15cnnc1.C4CC5.CN3C.N24 |
1922392 | COCC(=O)N1CCC(C(=O)N2CCc3n[nH]cc3C2)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C][Ring1][P] | N15CCc2n[nH]cc2C1.N14CCC7CC1.C6C4=O.C57=O.CO6 |
1922393 | Cc1cc(C)c2c(NCCCc3c(C)n[nH]c3C)ncnc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][N][C][C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=N][C][=N][C][Ring1][P][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)c2c5ncnc2n1.c16c(C)n[nH]c1C.C4CC6.N45 |
1922394 | COc1ncccc1Cn1ccc2ncccc2c1=O | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n14ccc2ncccc2c1=O.c13ncccc15.CO3.C45 |
1922395 | Cc1c(Cl)cc(C(=O)N2CC(c3ccccn3)C2)cc1Cl | [C][C][=C][Branch1][C][Cl][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1c(Cl)cc5cc1Cl.c16ccccn1.N14CC6C1.C45=O |
1922396 | CCNC(=O)CN1CCN(C(=O)c2ccnc(N)c2)CC1 | [C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][C][Ring1][#C] | N16CCN4CC1.c17ccnc(N)c1.C3(=O)C6.C47=O.CC5.N35 |
1922397 | N#Cc1ccccc1-c1ccc(-c2cn(CCn3cccn3)nn2)o1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][N][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][N][=N][Ring1][N][O][Ring1][P] | N#Cc1ccccc17.c17ccc6o1.c16cn4nn1.n15cccn1.C4C5 |
1922399 | O=C1CSc2ccccc2N1Cc1nnc(-c2cccnc2)o1 | [O][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O] | O=C1CSc2ccccc2N1C3.c13nnc4o1.c14cccnc1 |
1922400 | COCC(=O)N1CCC(C(=O)NCCSc2nccn2C)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][C][Ring2][Ring1][C] | N13CCC8CC1.c19nccn1C.C5C3=O.C48=O.C6C7.CO5.N46.S79 |
1922401 | CCc1cnc(N)nc1N1CCC(n2nc(C)cc2C)C1 | [C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][C][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c14cnc(N)nc13.n15nc(C)cc1C.N13CCC5C1.CC4 |
1922402 | CC1CN(C2CCN(c3ncccc3Cl)CC2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2] | CC1CN5CC(C)O1.C15CCN4CC1.c14ncccc1Cl |
1922403 | C#CCN1CCN(C(=O)Cc2csc(C)n2)CC1 | [C][#C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15csc(C)n1.C3(=O)C5.C#CC4 |
1922404 | CN(C)c1ccc(NC(=O)CN(C)c2ccc(Cl)cn2)nc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][N][=C][Ring2][Ring1][Ring1] | c17ccc5nc1.c16ccc(Cl)cn1.C3(=O)C4.CN7C.N46C.N35 |
1922405 | O=C(c1cnc(-c2cccnc2)nc1)N1Cc2cnn(CCO)c2C1 | [O][=C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][N][C][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2][C][Ring1][O] | N13Cc2cnn5c2C1.c14cnc6nc1.c16cccnc1.O=C34.C5CO |
1922406 | CC(=O)N1CCCC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][C][Ring1][=C][C][Ring2][Ring1][=Branch1] | c16cnn(C)c(=O)c1.N14CCCC7C1.N15CCN6CC1.CC4=O.C57=O |
1922407 | CCCn1cc(CNC(=O)C(c2ccc(F)cc2)N(C)C)cn1 | [C][C][C][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][=N][Ring2][Ring1][Ring2] | c18ccc(F)cc1.n16cc7cn1.C3(=O)C58.CCC6.N5(C)C.C47.N34 |
1922408 | CCc1cnc(N(C)CC2(CO)CCOCC2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][C][N][Branch1][C][C][C][C][Branch1][Ring1][C][O][C][C][O][C][C][Ring1][Branch2][N][=C][Ring1][P] | c17cnc4nc1.C156CCOCC1.N34C.CC7.C35.C6O |
1922409 | COCC(=O)N1CCCC(C(=O)NCc2ccc(F)c(Cl)c2)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C] | c18ccc(F)c(Cl)c1.N13CCCC7C1.C5C3=O.C47=O.CO5.N46.C68 |
1922411 | O=C(c1coc(CN2CCOCC2)c1)N1CC2CC=CCC2C1 | [O][=C][Branch2][Ring1][Ring1][C][=C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][N][C][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][=Branch2] | N13CC2CC=CCC2C1.c15coc6c1.N14CCOCC1.O=C35.C46 |
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