ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
44246 | CCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1 | [C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c16ccccc1.c15nnc7s1.c17cccnc1.N345.C36=O.CC4 |
44247 | CCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1 | [C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15ccccc1.c17nnc8s1.c18cccnc1.C3(=O)C4.N367.CC6.O45 |
44248 | CCN(C(=O)CCC1CCCC1)c1nnc(-c2cccnc2)s1 | [C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc7s1.c17cccnc1.C3(=O)CC6.C16CCCC1.N345.CC4 |
44249 | CCCN(C(=O)CC)c1nnc(-c2cccnc2)s1 | [C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc6s1.c16cccnc1.C3(=O)CC.CCC4.N345 |
44250 | CC(=O)N(CC(C)C)c1nnc(-c2cccnc2)s1 | [C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc6s1.c16cccnc1.C4C(C)C.CC3=O.N345 |
44251 | CC(C)CN(C(=O)c1ccco1)c1nnc(-c2cccnc2)s1 | [C][C][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc7s1.c17cccnc1.c16ccco1.CC(C)C4.N345.C36=O |
44252 | O=S(=O)(NCC1CCCCC1)c1ccc(-n2cnnn2)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | O=S4(=O)c1ccc6cc1.C15CCCCC1.n16cnnn1.N34.C35 |
44253 | O=C(C1CCC1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.C15CCC1.O=C35 |
44255 | COc1cccc(N2CCN(C(=O)C3CCC3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N][=C][Ring2][Ring1][C] | c15cccc6c1.N16CCN4CC1.C17CCC1.C47=O.CO5 |
44257 | Cc1ccc(Cl)cc1N1CCN(C(=O)C(C)C)CC1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O] | Cc1ccc(Cl)cc13.N13CCN2CC1.C2(=O)C(C)C |
44258 | Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCC2)CC1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N] | Cc1ccc(Cl)cc14.N14CCN3CC1.C15CCC1.C35=O |
44259 | O=C(c1ccco1)N1CCN(C(=O)C2CCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N] | N13CCN4CC1.c15ccco1.C16CCC1.O=C35.C46=O |
44260 | COc1cccc(C(=O)CSc2nnnn2C)c1 | [C][O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][S] | c13cccc5c1.c16nnnn1C.C5(=O)C4.CO3.S46 |
44261 | CC1CCCC(C)N1C(=O)CSc1nnnn1C | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | CC1CCCC(C)N12.c14nnnn1C.C2(=O)C3.S34 |
44262 | CC(C)N(C(=O)CSc1nnnn1C)C(C)C | [C][C][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][Branch1][C][C][C] | c16nnnn1C.C2(=O)C5.CC3C.N234.C4(C)C.S56 |
44263 | CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C)cc1C | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][P][C] | c16ccc7cc1C.c18nnnn1C.CCC3=O.C4(=O)C5.N36.N47.S58 |
44264 | Cn1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc15.Cn1nnnc16.N15CCOCC1.C3C2=O.S36.N24 |
44265 | Cn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | Cn1nnnc16.C14CCCCC1.C15CCCCC1.C3C2=O.N245.S36 |
44266 | COC(=O)c1cccc(NC(=O)CSc2nnnn2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][P] | c17cccc6c1.c18nnnn1C.C4(=O)C5.C37=O.CO3.N46.S58 |
44267 | CCC(=O)Nc1cc(NC(=O)CSc2nnnn2C)ccc1C | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Ring1][P][C] | c16cc7ccc1C.c18nnnn1C.CCC3=O.C4(=O)C5.N36.N47.S58 |
44268 | CCn1nnnc1SCC(=O)c1ccccc1F | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ccccc1F.n14nnnc15.C2C3=O.CC4.S25 |
44269 | CCn1nnnc1SCC(=O)c1cccc(OC)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c14cccc2c1.n15nnnc16.C3C4=O.CC5.S36.O2C |
44270 | CCn1nnnc1SCC(=O)NC1CCCC1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | n15nnnc16.C14CCCC1.C3C2=O.CC5.S36.N24 |
44271 | CCn1nnnc1SCC(=O)N1CCCCC1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | n14nnnc15.N12CCCCC1.C3C2=O.CC4.S35 |
44273 | CCCn1nnnc1SCC(=O)c1cccc(OC)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c14cccc2c1.n15nnnc16.C3C4=O.CCC5.S36.O2C |
44274 | CCCn1nnnc1SCC(=O)NC1CCCC1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | n15nnnc16.C14CCCC1.C3C2=O.CCC5.S36.N24 |
44275 | CCCn1nnnc1SCC(=O)N1CCCC1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | n14nnnc15.N12CCCC1.C3C2=O.CCC4.S35 |
44276 | CCCn1nnnc1SCC(=O)N1CCCCC1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | n14nnnc15.N12CCCCC1.C3C2=O.CCC4.S35 |
44277 | CCCn1nnnc1SCC(=O)N1C(C)CCCC1C | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C] | N12C(C)CCCC1C.n14nnnc15.C3C2=O.CCC4.S35 |
44278 | CCCn1nnnc1SCC(=O)N1CCCc2ccccc21 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.n15nnnc16.C4C3=O.CCC5.S46 |
44279 | CCCn1nnnc1SCC(=O)Nc1cc(C)ccc1OC | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | c15cc(C)ccc13.n16nnnc17.C4C2=O.CCC6.S47.N25.O3C |
44280 | CCCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1 | [C][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.CCC7.C3(C)=O.S48.N25.N36 |
44281 | CCCn1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | c14cccc5c1.n16nnnc17.C3C2=O.CCC6.C5(C)=O.S37.N24 |
44282 | CCOc1ccccc1-n1nnnc1SCC(=O)NC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C] | c14ccccc16.n16nnnc17.C5C2=O.CC3.O34.S57.N2C |
44283 | CCOc1ccccc1-n1nnnc1SCC(=O)NC(C)(C)C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | c14ccccc17.n17nnnc18.C6C2=O.C5(C)(C)C.CC3.O34.S68.N25 |
44284 | CCOc1ccccc1-n1nnnc1SCC(=O)N1CCCCC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c14ccccc16.n16nnnc17.N12CCCCC1.C5C2=O.CC3.O34.S57 |
44285 | O=C(CSc1nnnn1-c1cccnc1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c16nnnn15.c15cccnc1.O=C2C3.S36.N24 |
44286 | O=C(CSc1nnnn1-c1cccnc1)NCc1cccs1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][=C][S][Ring1][Branch1] | c17nnnn16.c16cccnc1.c15cccs1.O=C2C4.S47.N23.C35 |
44287 | CC(C)n1nnnc1SCC(=O)c1ccc(F)cc1 | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.n14nnnc15.C2C3=O.CC4C.S25 |
44288 | Cc1ccc(C(=O)CSc2nnnn2C(C)C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc4c(C)c1.c16nnnn15.C4(=O)C3.C5(C)C.S36 |
44289 | Cc1ccc(C)c(C(=O)CSc2nnnn2C(C)C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c4c1.c16nnnn15.C4(=O)C3.C5(C)C.S36 |
44290 | Cc1ccc(C(=O)CSc2nnnn2C(C)C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][C] | Cc1ccc4cc1C.c16nnnn15.C4(=O)C3.C5(C)C.S36 |
44291 | CC(C)n1nnnc1SCC(=O)NC1CCCC1 | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | n15nnnc16.C14CCCC1.C3C2=O.CC5C.S36.N24 |
44292 | CC1Cc2ccccc2N1C(=O)CSc1nnnn1C(C)C | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C] | CC1Cc2ccccc2N13.c16nnnn15.C3(=O)C4.C5(C)C.S46 |
44293 | COc1cccc(NC(=O)CSc2nnnn2C(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1] | c14cccc6c1.c18nnnn17.C3(=O)C5.C7(C)C.CO4.N36.S58 |
44294 | COc1ccc(C)cc1NC(=O)CSc1nnnn1C(C)C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C] | c13ccc(C)cc15.c17nnnn16.C2(=O)C4.C6(C)C.CO3.N25.S47 |
44295 | CC(C)n1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2 | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.n16nnnc17.C4C3=O.CC6C.S47.N35 |
44297 | CC(C)n1nnnc1SCC(=O)Nc1ccccc1F | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc1F.n15nnnc16.C3C2=O.CC5C.S36.N24 |
44298 | COc1ccc(Cl)cc1C(=O)CSc1nnnn1C(C)C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C] | c12ccc(Cl)cc14.c16nnnn15.C4(=O)C3.C5(C)C.CO2.S36 |
44301 | CC(=O)Nc1ccc(C(=O)CSc2nnnn2C(C)C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c18nnnn17.C6(=O)C4.CC3=O.C7(C)C.N35.S48 |
44302 | Cc1cccc(NC(=O)CSc2nnnn2C(C)C)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring1] | Cc1cccc5n1.c17nnnn16.C3(=O)C4.C6(C)C.N35.S47 |
44303 | CCc1cccc(NC(=O)C2CCCN(c3ncccn3)C2)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][Branch1] | c18cccc6c1.C17CCCN5C1.c15ncccn1.C47=O.CC8.N46 |
44304 | Cc1c(Cl)cccc1NC(=O)C1CCCN(c2ncccn2)C1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | Cc1c5cccc1Cl.C16CCCN4C1.c14ncccn1.C36=O.N35 |
44305 | Cc1ccc(Cl)cc1NC(=O)C1CCCN(c2ncccn2)C1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | Cc1ccc(Cl)cc15.C16CCCN4C1.c14ncccn1.C36=O.N35 |
44306 | COc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1][O][C] | c15ccc8cc16.C19CCCN7C1.c17ncccn1.C49=O.CO5.N48.O6C |
44307 | COc1cccc(OC)c1NC(=O)C1CCCN(c2ncccn2)C1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | c14cccc5c17.C18CCCN6C1.c16ncccn1.C38=O.CO4.O5C.N37 |
44308 | CCC(C)(C)NC(=O)C1CCCN(c2ncccn2)C1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | C16CCCN5C1.c15ncccn1.CCC4(C)C.C36=O.N34 |
44309 | CCCc1nc(SCC(=O)NC)c2c(C)c(C)sc2n1 | [C][C][C][C][=N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][P] | c15nc6c2c(C)c(C)sc2n1.C4C3=O.CCC5.S46.N3C |
44310 | O=C(Nc1ccc2c(c1)CCC2)C1CCCN(c2ncccn2)C1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | c15ccc2c(c1)CCC2.C16CCCN4C1.c14ncccn1.O=C36.N35 |
44311 | COc1ccccc1CNC(=O)C1CCCN(c2ncccn2)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | c14ccccc18.C17CCCN6C1.c16ncccn1.C37=O.CO4.C58.N35 |
44312 | COc1cccc(CNC(=O)C2CCCN(c3ncccn3)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | c15cccc9c1.C18CCCN7C1.c17ncccn1.C48=O.CO5.C69.N46 |
44313 | COc1ccc(CCNC(=O)C2CCCN(c3ncccn3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.C18CCCN7C1.c17ncccn1.C9C6.C48=O.CO5.N46 |
44315 | O=C(NC1CCCCCC1)C1CCCN(c2ncccn2)C1 | [O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | C15CCCCCC1.C16CCCN4C1.c14ncccn1.O=C36.N35 |
44316 | Cc1ccc(F)cc1NC(=O)C1CCCN(c2ncccn2)C1 | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | Cc1ccc(F)cc15.C16CCCN4C1.c14ncccn1.C36=O.N35 |
44317 | Cc1ccnc(N2CCCC(C(=O)NC(C)(C)C)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][=N][Ring2][Ring1][Ring1] | Cc1ccnc5n1.N15CCCC6C1.C4(C)(C)C.C36=O.N34 |
44318 | Cc1ccnc(N2CCCC(C(=O)NC3CCCC3)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][=C][=N][Ring2][Ring1][Ring2] | Cc1ccnc5n1.N15CCCC7C1.C16CCCC1.C47=O.N46 |
44319 | Cc1ccnc(N2CCCC(C(=O)NC3CCCCC3)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C][=N][Ring2][Ring1][Branch1] | Cc1ccnc5n1.N15CCCC7C1.C16CCCCC1.C47=O.N46 |
44320 | Cc1ccnc(N2CCCC(C(=O)N3CCc4ccccc43)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=N][N][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | N15CCc2ccccc21.Cc1ccnc6n1.N16CCCC7C1.C57=O |
44321 | Cc1ccnc(N2CCCC(C(=O)NCCc3ccccc3)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | Cc1ccnc6n1.N16CCCC7C1.c18ccccc1.C47=O.C5C8.N45 |
44322 | Cc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.C17CCCN5C1.c15nccc(C)n1.C47=O.N46 |
44323 | Cc1ccnc(N2CCCC(C(=O)Nc3ccccc3C)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=N][Ring2][Ring1][=Branch1] | Cc1ccnc5n1.N15CCCC7C1.c16ccccc1C.C47=O.N46 |
44324 | Cc1cccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | Cc1cccc6c1.C17CCCN5C1.c15nccc(C)n1.C47=O.N46 |
44325 | Cc1ccnc(N2CCCC(C(=O)Nc3c(C)cccc3C)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=N][N][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | c16c(C)cccc1C.Cc1ccnc5n1.N15CCCC7C1.C47=O.N46 |
44326 | COc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c15ccc7cc1.C18CCCN6C1.c16nccc(C)n1.C48=O.CO5.N47 |
44327 | CCOc1ccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16ccc8cc1.C19CCCN7C1.c17nccc(C)n1.C49=O.CC5.O56.N48 |
44328 | CCOc1ccccc1NC(=O)C1CCCN(c2nccc(C)n2)C1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N] | c15ccccc17.C18CCCN6C1.c16nccc(C)n1.C38=O.CC4.O45.N37 |
44329 | CCC(=O)Nc1ccc(NC(=O)C2CCCCC2)nc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][#C] | c16ccc5nc1.C17CCCCC1.CCC3=O.C47=O.N36.N45 |
44330 | CCC(=O)Nc1cnc(NC(=O)C2CCCCC2)cc1C | [C][C][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C] | c16cnc5cc1C.C17CCCCC1.CCC3=O.C47=O.N36.N45 |
44331 | Cc1ccnc(N2CCCC(C(=O)NCc3ccco3)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C][=N][Ring2][Ring1][Branch1] | Cc1ccnc6n1.N16CCCC7C1.c18ccco1.C47=O.N45.C58 |
44332 | Cc1cc(C)c(NC(=O)C2CCCN(c3nccc(C)n3)C2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] | Cc1cc(C)c6c(C)c1.C17CCCN5C1.c15nccc(C)n1.C47=O.N46 |
44333 | COc1ccccc1NC(=O)C1CCCN(c2nccc(C)n2)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N] | c14ccccc16.C17CCCN5C1.c15nccc(C)n1.C37=O.CO4.N36 |
44334 | Cc1ccnc(N2CCCC(C(=O)NC3CCCCC3C)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][S][=N][Ring2][Ring1][=Branch1] | Cc1ccnc5n1.N15CCCC7C1.C16CCCCC1C.C47=O.N46 |
44335 | COc1ccc(CNC(=O)C2CCCN(c3nccc(C)n3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.C18CCCN7C1.c17nccc(C)n1.C48=O.CO5.C69.N46 |
44336 | CCOc1cccc(NC(=O)C2CCCN(c3nccc(C)n3)C2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | c16cccc8c1.C19CCCN7C1.c17nccc(C)n1.C49=O.CC5.O56.N48 |
44337 | O=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)c1cnccn1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c16ccc5nc1.C18CCCCC1.c17cnccn1.O=C37.C48=O.N36.N45 |
44338 | O=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)c1ccccn1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccc5nc1.C18CCCCC1.c17ccccn1.O=C37.C48=O.N36.N45 |
44339 | CCC(=O)Nc1ccc(NC(=O)C2CCCCC2)cn1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][#C] | c15ccc6cn1.C17CCCCC1.CCC3=O.C47=O.N35.N46 |
44340 | Cc1ccnc(N2CCCC(C(=O)NC(C)C)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][N][=N][Ring2][Ring1][C] | Cc1ccnc5n1.N15CCCC6C1.C36=O.C4(C)C.N34 |
44341 | Cc1ccnc(N2CCCC(C(=O)NCc3ccc(F)cc3)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=N][N][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | Cc1ccnc6n1.N16CCCC7C1.c18ccc(F)cc1.C47=O.N45.C58 |
44342 | CCC(=O)Nc1cc(C)c(NC(=O)c2ccc(OC)cc2)cn1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][Ring2][Ring1][C] | c16cc(C)c7cn1.c18ccc5cc1.CCC3=O.C48=O.N36.N47.O5C |
44343 | CCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=N][Ring1][=N] | c14ccc5cn1.C3(=O)C(C)(C)C.CCCC2=O.N24.N35 |
44344 | CCCC(=O)Nc1ccc(NC(=O)C2CCCCC2)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][#C] | c15ccc6cn1.C17CCCCC1.CCCC3=O.C47=O.N35.N46 |
44345 | CCCC(=O)Nc1cc(C)c(NC(=O)CCC)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][=N][Ring1][=N] | c14cc(C)c5cn1.CCCC2=O.C3(=O)CCC.N24.N35 |
44346 | CCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][Ring1][=C] | c15ccc6cn1.CCCC3=O.c17ccco1.C47=O.N35.N46 |
44347 | CCCC(=O)Nc1cc(C)c(NC(=O)c2ccco2)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][Ring1][#C] | c15cc(C)c6cn1.CCCC3=O.c17ccco1.C47=O.N35.N46 |
44348 | CCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring1][S] | c15ccc6cn1.c17ccccc1F.CCCC3=O.C47=O.N35.N46 |
44349 | CCCC(=O)Nc1cc(C)c(NC(=O)c2ccccc2F)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring1][P] | c15cc(C)c6cn1.c17ccccc1F.CCCC3=O.C47=O.N35.N46 |
44350 | CCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][Ring1][S] | c15ccc6cn1.c17cccc(F)c1.CCCC3=O.C47=O.N35.N46 |
44351 | CCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][Ring1][P] | c16ccc7cn1.c18ccc5cc1.CCCC3=O.C48=O.N36.N47.O5C |
44352 | CCCC(=O)Nc1cc(C)c(NC(=O)C(C)C)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=N][Ring1][=N] | c14cc(C)c5cn1.CCCC2=O.C3(=O)C(C)C.N24.N35 |
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