ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1928266 | Cc1ccc(NC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c(F)c1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2][C][Ring1][N][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | N15Cc2nc(C)n(C)c(=O)c2C1.Cc1ccc6c(F)c1.C45=O.N46 |
1928267 | Cc1ccc2c(c1)c(-c1ccccc1C(N)=O)nn2C | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][#C][C] | Cc1ccc2c(c1)c4nn2C.c14ccccc13.C3(N)=O |
1928268 | O=C1CCCN1CCC1CCCCN1C(=O)Nc1cncc(F)c1 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | C16CCCCN12.c14cncc(F)c1.O=C1CCCN15.C5C6.C23=O.N34 |
1928269 | CCn1nc(CC(C)C)cc1-c1nc(CN2CCOCC2)no1 | [C][C][N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][N] | n14nc5cc17.c17nc6no1.N13CCOCC1.C5C(C)C.CC4.C36 |
1928270 | COCc1ccc(C(=O)N(C)Cc2cnn(C(C)C)c2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][O][Ring2][Ring1][C] | c18ccc6o1.c19cnn7c1.C36=O.N35C.C7(C)C.CO4.C48.C59 |
1928271 | COCC(=O)N1CCC(c2nc(CN3CCOCC3)no2)CC1 | [C][O][C][C][=Branch1][C][=O][N][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] | N14CCC8CC1.c18nc7no1.N16CCOCC1.C5C4=O.CO5.C67 |
1928272 | COc1ccc(-c2ccncc2F)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][=C][C][=C][N][=C][Ring1][P][Ring1][=Branch1] | c13ccc4c2cccnc12.c14ccncc1F.CO3 |
1928273 | CCc1nc(C2COCCO2)n(-c2ccc3nc(C)sc3c2)n1 | [C][C][C][N][=C][Branch1][=Branch2][C][C][O][C][C][O][Ring1][=Branch1][N][Branch1][P][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][=Ring2][Ring1][Branch1] | c15ccc2nc(C)sc2c1.c14nc6n5n1.C16COCCO1.CC4 |
1928274 | OCCn1nc(-c2c[nH]c3ccccc23)nc1C1CCCCO1 | [O][C][C][N][N][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Ring1][=C][C][C][C][C][C][O][Ring1][=Branch1] | c16c[nH]c2ccccc12.n14nc6nc15.C15CCCCO1.OCC4 |
1928275 | OCc1csc(N2CCC(CCn3cccn3)CC2)n1 | [O][C][C][=C][S][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][C] | N14CCC7CC1.c16csc4n1.n15cccn1.C7C5.OC6 |
1928276 | COc1nc2c(cc1-c1nc(C3CCOC3)no1)CCC2 | [C][O][C][=N][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][C][Ring1][P] | c14nc2c(cc16)CCC2.c16nc5no1.C15CCOC1.CO4 |
1928277 | Cn1nc(-c2cccnc2)cc1NC(=O)NCCN1CCCOC1=O | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][N][C][C][N][C][C][C][O][C][Ring1][=Branch1][=O] | Cn1nc8cc16.N17CCCOC1=O.c18cccnc1.C34=O.C5C7.N36.N45 |
1928278 | Cc1n[nH]c(-c2nc(C3CC3)nn2C2CCCCC2)c1Cl | [C][C][=N][NH1][C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][Cl] | Cc1n[nH]c5c1Cl.c15nc6nn14.C14CCCCC1.C16CC1 |
1928279 | CNc1cc(C(=O)N2CCN(C(=O)OC)CC2)ccn1 | [C][N][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][C] | c16cc7ccn1.N14CCN5CC1.C47=O.C35=O.CN6.O3C |
1928280 | CC1(O)CCN(C(=O)Cc2cncs2)CC1O | [C][C][Branch1][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][N][=C][S][Ring1][Branch1][C][C][Ring1][#C][O] | CC1(O)CCN3CC1O.c14cncs1.C3(=O)C4 |
1928282 | Cn1nc(-c2ccc(S(C)(=O)=O)cc2)nc1N1CCOCC1 | [C][N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][=C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc(S(C)(=O)=O)cc1.Cn1nc4nc13.N13CCOCC1 |
1928283 | c1cncc(-c2noc(CCc3nc(C4CCOC4)no3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][C][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][=N][Ring1][P][=C][Ring2][Ring1][#Branch1] | c1cncc8c1.c18noc5n1.c16nc7no1.C17CCOC1.C5C6 |
1928284 | CCNC(=O)c1ccnc(N(C)Cc2cnn(-c3ccccc3)c2)c1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][=C][Ring2][Ring1][Ring2] | c18ccnc7c1.c19cnn%10c1.c1%10ccccc1.C48=O.N67C.CC5.N45.C69 |
1928285 | COc1cc2c(cc1CNC(=O)CCCc1cn[nH]c1)CCC2 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][C][C][C][Ring2][Ring1][Ring1] | c14cc2c(cc16)CCC2.C3(=O)CCC7.c17cn[nH]c1.CO4.C56.N35 |
1928286 | COc1cc(N2CCCN(c3ccc(F)cc3)CC2)nc(N)n1 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=N][C][Branch1][C][N][=N][Ring2][Ring1][Branch1] | c14cc5nc(N)n1.N15CCCN6CC1.c16ccc(F)cc1.CO4 |
1928287 | Cc1ncc(C(=O)NCCC2CCCCN2S(C)(=O)=O)c(=O)[nH]1 | [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] | Cc1ncc6c(=O)[nH]1.C17CCCCN15.S5(C)(=O)=O.C36=O.C4C7.N34 |
1928288 | COCCN1CC(NC(=O)Nc2ccc(Cl)cc2F)CC1=O | [C][O][C][C][N][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][C][Ring1][P][=O] | c16ccc(Cl)cc1F.N18CC7CC1=O.C5C8.C34=O.CO5.N37.N46 |
1928289 | Cc1cc(CC2COCC2NC(=O)c2c(C)[nH]c(C)cc2=O)on1 | [C][C][C][=C][Branch2][Ring1][=N][C][C][C][O][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][C][C][=C][C][Ring1][Branch2][=O][O][N][=Ring2][Ring1][#Branch1] | c15c(C)[nH]c(C)cc1=O.Cc1cc6on1.C17COCC14.C35=O.C67.N34 |
1928290 | CCSc1ccccc1NC(=O)NCCNc1nc(C)cc(=O)[nH]1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][Ring1][Branch2] | c17nc(C)cc(=O)[nH]1.c19ccccc18.C23=O.C4C5.CC6.S69.N28.N34.N57 |
1928291 | Cc1cc(NC(=O)NC2CCCCC2OCc2ccccc2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][N][=Ring2][Ring1][Branch2] | Cc1cc7n(C)n1.C18CCCCC16.c19ccccc1.C34=O.N37.N48.O56.C59 |
1928292 | c1cc(-c2nc(C3CCOC3)no2)cc(-n2cnnc2)n1 | [C][=C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=N][Ring2][Ring1][Branch1] | c1cc6cc4n1.c16nc5no1.C15CCOC1.n14cnnc1 |
1928293 | O=C1CCc2cc(F)cc(NC(=O)NC3COC4(CCCC4)C3)c2N1 | [O][=C][C][C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2] | O=C1CCc2cc(F)cc7c2N1.C18COC2(CCCC2)C1.C56=O.N57.N68 |
1928294 | CSc1ccc(NC(=O)N2CC=C(C)CC2)cc1 | [C][S][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc5cc1.N14CC=C(C)CC1.C34=O.CS6.N35 |
1928295 | CSc1cccc(NC(=O)N2CCC(Cc3nc(C)no3)CC2)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | c19cccc6c1.N15CCC8CC1.c17nc(C)no1.C45=O.CS9.N46.C78 |
1928296 | OCCn1nc(C2CCCC2)nc1C1CCOC1 | [O][C][C][N][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=C][Ring1][#Branch2][C][C][C][O][C][Ring1][Branch1] | n13nc4nc15.C14CCCC1.C15CCOC1.OCC3 |
1928297 | COCC(=O)Nc1cccc(NC(=O)NCCc2n[nH]c(C)n2)c1C | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=N][NH1][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C][C] | c18cccc9c1C.c1%10n[nH]c(C)n1.C6C3=O.C45=O.C7C%10.CO6.N38.N49.N57 |
1928298 | CSc1ccccc1NC(=O)NCCc1nc(C)cc(C)n1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c16nc(C)cc(C)n1.c17ccccc15.C23=O.C4C6.CS7.N25.N34 |
1928299 | Cc1nc(Cn2cccnc2=O)n(Cc2ccccc2)n1 | [C][C][N][=C][Branch1][O][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2] | Cc1nc5n4n1.n13cccnc1=O.c16ccccc1.C35.C46 |
1928300 | c1ccc(-c2cc(-c3nc(C4CCOC4)no3)on2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][O][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c1ccc7cc1.c17cc5on1.c15nc6no1.C16CCOC1 |
1928301 | COc1cc(-c2ccc3[nH]c(C(C)O)nc3c2)c(Cl)cn1 | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][NH1][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][C][Ring1][Branch2][=C][Ring1][N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring1] | c16ccc2[nH]c5nc2c1.c14cc6c(Cl)cn1.C5(C)O.CO4 |
1928303 | Cc1cc(C(=O)NC2CCCC2OCc2ccccc2)c(=O)[nH]c1C | [C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][#Branch1][C] | Cc1cc7c(=O)[nH]c1C.C16CCCC15.c18ccccc1.C37=O.N36.O45.C48 |
1928304 | CNC(=O)Cc1ccc(-c2cc(OC)ncc2Cl)cc1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=C][C][=C][C][Branch1][Ring1][O][C][=N][C][=C][Ring1][Branch2][Cl][C][=C][Ring1][#C] | c16cc4ncc1Cl.c15ccc6cc1.C3(=O)C5.CN3.O4C |
1928305 | Cc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)c(=O)[nH]c1C | [C][C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][=Branch1][C] | Cc1cc7c(=O)[nH]c1C.c17ccccc16.C36=O.N345.C4(C)C.C5(C)C |
1928307 | Cn1nc(-c2ccc(O)cc2)nc1N1CCOCC1 | [C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | Cn1nc4nc13.c14ccc(O)cc1.N13CCOCC1 |
1928308 | COc1cc(-c2nc(N3CCOCC3)n(C)n2)c(Cl)cn1 | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][Branch1][C][C][N][=Ring1][N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring1] | c14cc6c(Cl)cn1.c16nc5n(C)n1.N15CCOCC1.CO4 |
1928309 | CC(=O)c1cccc(-c2ccc(C(N)=O)s2)c1F | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2][=C][Ring1][=C][F] | c14cccc5c1F.c15ccc3s1.CC4=O.C3(N)=O |
1928310 | Cc1nc(CCNC(=O)Nc2cn(C(C)C)nn2)nc2c1CCCC2 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=N][Ring1][Branch2][=N][C][=C][Ring2][Ring1][Ring2][C][C][C][C][Ring1][=Branch1] | Cc1nc8nc2c1CCCC2.c16cn7nn1.C8C5.C34=O.C7(C)C.N35.N46 |
1928311 | CSc1cccc(NC(=O)N2CCCCCC2CO)c1 | [C][S][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][O][=C][Ring2][Ring1][C] | N14CCCCCC16.c17cccc5c1.C34=O.CS7.N35.C6O |
1928312 | c1ccc2c(c1)Cc1c(ncnc1N1CCOCC1)CO2 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][Branch1][#C][N][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][O][Ring2][Ring1][C] | c1ccc2c(c1)Cc1c3ncnc1CO2.N13CCOCC1 |
1928313 | c1c[nH]c(-c2nc(-c3ccncc3)nn2C2CCCCC2)c1 | [C][=C][NH1][C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c15nc6nn14.c16ccncc1.C14CCCCC1.c1c[nH]c5c1 |
1928314 | CNC(=O)Cn1cc(-c2ccc3c(c2)OCO3)cn1 | [C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=N][Ring1][=C] | c16ccc2c(c1)OCO2.n15cc6cn1.C4(=O)C5.CN4 |
1928315 | CN(C)c1nccnc1N(C)CC1CCN(c2ccccc2)C1 | [C][N][Branch1][C][C][C][=N][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | c14nccnc15.C17CCN6C1.c16ccccc1.CN4C.N35C.C37 |
1928316 | COCCN(Cc1ccccn1)C(=O)Nc1c(C)noc1C | [C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | c17c(C)noc1C.c18ccccn1.C4C5.N256.C23=O.CO4.C68.N37 |
1928317 | COc1ccc(-c2ccc[nH]c2=O)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][N][=C][Ring1][P][Ring1][=Branch1] | c13ccc4c2cccnc12.c14ccc[nH]c1=O.CO3 |
1928318 | COc1cc(-c2ccc(CO)cc2CO)c(Cl)cn1 | [C][O][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][O][=C][Branch1][C][Cl][C][=N][Ring1][P] | c13cc6c(Cl)cn1.c16ccc4cc15.CO3.C4O.C5O |
1928319 | CCNC(=O)C1CC(NC(=O)CO)CN1C(=O)c1ccc(OC)o1 | [C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][O][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][O][Ring1][#Branch1] | C18CC7CN14.c19ccc5o1.C3(=O)CO.C28=O.C49=O.CC6.N26.N37.O5C |
1928320 | CCc1ccc(Cn2nc(C)nc2COCC2CCCO2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][O][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c18ccc9cc1.n15nc(C)nc17.C16CCCO1.CC8.C59.C37.O34.C46 |
1928321 | CCCN1CC(NC(=O)c2cnccn2)CC1C(=O)N(CC)CC | [C][C][C][N][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] | N15CC8CC19.c1%10cnccn1.CCC5.C3%10=O.C49=O.N467.N38.C6C.C7C |
1928322 | CCCCn1nc(-c2ccco2)nc1CNS(C)(=O)=O | [C][C][C][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#Branch2][C][N][S][Branch1][C][C][=Branch1][C][=O][=O] | n15nc7nc16.c17ccco1.CCCC5.S4(C)(=O)=O.C36.N34 |
1928324 | COc1nc2c(cc1-c1nc(-c3ccc(C)o3)nn1CCO)CCC2 | [C][O][C][=N][C][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][C][=N][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][N][Ring1][O][C][C][O][C][C][C][Ring2][Ring1][Branch1] | c14nc2c(cc17)CCC2.c17nc6nn15.c16ccc(C)o1.C5CO.CO4 |
1928327 | CCCC1CCCN1C(=O)Nc1cc(C)nn1C(C)C | [C][C][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Branch1][C][C][C] | c14cc(C)nn15.C16CCCN12.CCC6.C23=O.C5(C)C.N34 |
1928329 | Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc(C(=O)N(C)C)cc1 | [C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O] | Cc1[nH]c(=O)[nH]c(=O)c14.c14ccc3cc1.C23=O.N2(C)C |
1928331 | COc1cccc(C2CCN2C(=O)c2cc3c([nH]c2=O)CCCC3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][NH1][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1] | c16cc2c([nH]c1=O)CCCC2.c15cccc7c1.C17CCN14.C46=O.CO5 |
1928332 | Cc1nn(C)c2nc(N3CCN(C(=O)N(C)C)CC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][S][C][Ring2][Ring1][Ring2][=Ring1][S] | Cc1nn(C)c2nc6sc12.N16CCN4CC1.C45=O.N5(C)C |
1928333 | Cn1nc(-c2ccc3c(c2)OCO3)nc1N1CCCCC1 | [C][N][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=C][Ring1][=C][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc2c(c1)OCO2.Cn1nc5nc14.N14CCCCC1 |
1928334 | COCc1nc(CNc2nc3c(s2)c(C)nn3C)no1 | [C][O][C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][=N][O][Ring1][P] | c16nc2c(s1)c(C)nn2C.c17nc8no1.CO4.C47.C58.N56 |
1928335 | COc1ccccc1OC1CN(c2ccc(C)nn2)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][Ring1][O] | c14ccccc15.c16ccc(C)nn1.C13CN6C1.CO4.O35 |
1928336 | COc1ccc(-c2c(C)nn(CCC(N)=O)c2C)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][Branch1][C][C][=N][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Ring1][O][C][C][=N][Ring2][Ring1][C] | c15c(C)nn4c1C.c13ccc5cn1.C4CC(N)=O.CO3 |
1928337 | CCn1ccc(C(=O)N2CCc3[nH]cnc3C2)cc1=O | [C][C][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][NH1][C][=N][C][=Ring1][Branch1][C][Ring1][=Branch2][=C][C][Ring1][P][=O] | N14CCc2[nH]cnc2C1.n16ccc5cc1=O.C45=O.CC6 |
1928338 | CCc1nn(C)c(NC(=O)NC(COC)c2ccnn2C)c1C | [C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][O][C][C][=C][C][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][C] | c18nn(C)c7c1C.c19ccnn1C.C69C5.C34=O.CC8.N37.N46.O5C |
1928339 | COCCn1cnnc1CN(C)C(=O)Nc1ccc(C)nc1C | [C][O][C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C] | c16ccc(C)nc1C.n17cnnc18.C4C7.N25C.C23=O.CO4.C58.N36 |
1928340 | FC(F)(F)Cn1nc(-c2ccncc2)nc1CN1CCOCC1 | [F][C][Branch1][C][F][Branch1][C][F][C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][N][C][C][O][C][C][Ring1][=Branch1] | n14nc6nc15.c16ccncc1.N13CCOCC1.FC(F)(F)C4.C35 |
1928341 | Cc1cc(Cl)ccc1OCC(=O)N1CCC(C)(O)C(O)C1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2] | N12CCC(C)(O)C(O)C1.Cc1cc(Cl)ccc14.C3C2=O.O34 |
1928342 | Cn1cc(Cl)c(-c2nc(-c3ccncc3)nn2C2CCCCC2)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | Cn1cc(Cl)c5n1.c15nc6nn14.c16ccncc1.C14CCCCC1 |
1928343 | COC(=O)c1ccc(NC(=O)NC2CCC(=O)N(C)C2)cc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C][Cl] | c18ccc6cc1Cl.C17CCC(=O)N(C)C1.C38=O.C45=O.CO3.N46.N57 |
1928344 | Cn1cc(-c2nc(CC(N)=O)nn2Cc2ccccc2)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][=N][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch1] | c16nc4nn13.Cn1cc6cn1.c15ccccc1.C4C(N)=O.C35 |
1928345 | Cc1noc(C)c1CC(=O)N1CCC(C)(O)C(O)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2] | N12CCC(C)(O)C(O)C1.Cc1noc(C)c13.C3C2=O |
1928346 | COCC1CCCN1C(=O)c1ccc(-c2ccc(OC)cc2)[nH]c1=O | [C][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][C][Ring1][=C][=O] | c16ccc8[nH]c1=O.c18ccc5cc1.C17CCCN13.C36=O.CO4.C47.O5C |
1928348 | CC(=O)N1CCN(C(=O)NCc2ccccc2)CC2(CNC(=O)C2)C1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch2][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] | N13CCN4CC2(CNC(=O)C2)C1.c17ccccc1.CC3=O.C45=O.N56.C67 |
1928349 | CC(=O)N1CC2CC3C(C1)(CN(Cc1ccccc1)S3(=O)=O)O2 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][Branch2][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N][=Branch1][C][=O][=O][O][Ring2][Ring1][C] | N14CC2CC3C(C1)(CN5S3(=O)=O)O2.c16ccccc1.CC4=O.C56 |
1928350 | CCN1CC23CN(C(=O)c4ccccc4)CC(CC2S1(=O)=O)O3 | [C][C][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=N][C][C][Ring1][#C][S][Ring2][Ring1][C][=Branch1][C][=O][=O][O][Ring2][Ring1][Ring1] | N16CC23CN5CC(CC2S1(=O)=O)O3.c17ccccc1.C57=O.CC6 |
1928351 | CN1CC23CN(C(=O)c4ccccc4)CC(CC2S1(=O)=O)O3 | [C][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=N][C][C][Ring1][#C][S][Ring2][Ring1][C][=Branch1][C][=O][=O][O][Ring2][Ring1][Ring1] | CN1CC23CN5CC(CC2S1(=O)=O)O3.c16ccccc1.C56=O |
1928352 | CCNC(=O)c1ccc2ccc(N(C)c3ccccc3)n2c1 | [C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][=Ring1][P] | c18ccc2ccc6n2c1.c17ccccc1.C48=O.N67C.CC5.N45 |
1928353 | COCCNC(=O)c1ccc2ccc(N(C)c3ccccc3)n2c1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][=Ring1][P] | c19ccc2ccc7n2c1.c18ccccc1.C5C6.C49=O.N78C.CO5.N46 |
1928354 | COCCN(C)C(=O)c1ccc2ccc(N(C)c3ccccc3)n2c1 | [C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][=Ring1][P] | c19ccc2ccc7n2c1.c18ccccc1.C5C6.N46C.C49=O.N78C.CO5 |
1928355 | COc1ccc(N(C)c2ccc3ccc(C(=O)N(C)C)cn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c16ccc2ccc8cn12.c15ccc7cc1.N67C.C48=O.N4(C)C.CO5 |
1928356 | CCCNC(=O)c1cc2c(c3ccccc3n2C)n1CCOC | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][O][C] | c17cc2c(c3ccccc3n2C)n18.CCC6.C47=O.C8C5.N46.O5C |
1928357 | COCCn1c(C(=O)NC(C)C)cc2c1c1ccccc1n2C | [C][O][C][C][N][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | n17c6cc2c1c1ccccc1n2C.C4C7.C36=O.C5(C)C.CO4.N35 |
1928358 | COCCn1c(C(=O)N(C)C)cc2c1c1ccccc1n2C | [C][O][C][C][N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | n16c5cc2c1c1ccccc1n2C.C4C6.C35=O.N3(C)C.CO4 |
1928359 | CC(C)NC(=O)c1cc2c(c3ccccc3n2C)n1S(C)(=O)=O | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | c16cc2c(c3ccccc3n2C)n1S(C)(=O)=O.CC5C.C46=O.N45 |
1928360 | CCCNC(=O)c1cc2c(c3ccccc3n2C)n1C | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c16cc2c(c3ccccc3n2C)n1C.CCC5.C46=O.N45 |
1928361 | Cc1cnc(CNC(=O)c2cc3c(c4ccccc4n3C)n2C)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=N][Ring2][Ring1][Branch2] | c17cc2c(c3ccccc3n2C)n1C.Cc1cnc8cn1.C57=O.C68.N56 |
1928362 | CN(C)C(=O)c1cc2c(c3ccccc3n2C)n1C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c15cc2c(c3ccccc3n2C)n1C.CN4C.C45=O |
1928363 | Cn1c(C(=O)N2CCCCC2)cc2c1c1ccccc1n2C | [C][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | Cn1c4cc2c1c1ccccc1n2C.N13CCCCC1.C34=O |
1928364 | COCCN(C)C(=O)c1cc2c(c3ccccc3n2C)n1C(C)C | [C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C] | c17cc2c(c3ccccc3n2C)n18.C5C6.N46C.C47=O.C8(C)C.CO5 |
1928365 | CCCNC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C] | c17cc2c(c3ccccc3n2C)n1C5=O.CCC6.C47=O.N5(C)C.N46 |
1928366 | COCCNC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C | [C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C] | c18cc2c(c3ccccc3n2C)n1C5=O.C6C7.C48=O.N5(C)C.CO6.N47 |
1928367 | CC(C)NC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C] | c17cc2c(c3ccccc3n2C)n1C5=O.CC6C.C47=O.N5(C)C.N46 |
1928368 | CN(C)C(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C] | c16cc2c(c3ccccc3n2C)n1C5=O.CN4C.C46=O.N5(C)C |
1928369 | CC(C)NC(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c16cc2c(c3ccccc3n2C)n17.c17ncccn1.CC5C.C46=O.N45 |
1928370 | CN(C)C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c15cc2c(c3ccccc3n2C)n16.c16ncccn1.CN4C.C45=O |
1928371 | COCCn1c(C(=O)N(C)C)cc2c1c1ccccc1n2C(C)C | [C][O][C][C][N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C] | n16c5cc2c1c1ccccc1n27.C4C6.C35=O.N3(C)C.C7(C)C.CO4 |
1928372 | CC(C)n1c2ccccc2c2c1cc(C(=O)N(C)C)n2S(C)(=O)=O | [C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | n15c2ccccc2c2c1cc4n2S(C)(=O)=O.CC5C.C34=O.N3(C)C |
1928373 | COCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C | [C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][N][Ring1][#C][C] | c17cc2c(c3ccccc3n28)n1C.C5C6.C47=O.C8(C)C.CO5.N46 |
1928374 | COCCN(C)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C | [C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][N][Ring1][#C][C] | c17cc2c(c3ccccc3n28)n1C.C5C6.N46C.C47=O.C8(C)C.CO5 |
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