ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1922197 | Cc1nc(C2CCN(C(=O)C(O)c3ccc(F)cc3)CC2)cc(=O)[nH]1 | [C][C][=N][C][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2] | Cc1nc6cc(=O)[nH]1.C16CCN4CC1.c15ccc(F)cc1.C4(=O)C5O |
1922198 | COc1ccc2c(=O)n(Cc3snnc3C)ccc2c1OC | [C][O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][S][N][=N][C][=Ring1][Branch1][C][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][O][C] | c14ccc2c(=O)n6ccc2c15.c17snnc1C.CO4.C67.O5C |
1922199 | COc1ccc(-c2cn(CC3CC(=O)N(C4CCCC4)C3)nn2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][N][Branch2][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O][N][=N][Ring1][P][C][=N][Ring2][Ring1][#Branch1] | c15ccc9cn1.C17CC(=O)N8C1.c19cn6nn1.C18CCCC1.CO5.C67 |
1922200 | O=C(NC1COc2ccccc2C1)c1coc(CN2CCOCC2)c1 | [O][=C][Branch1][S][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N] | C15COc2ccccc2C1.c16coc7c1.N14CCOCC1.O=C36.N35.C47 |
1922201 | OCc1nc(NC(CO)Cc2ccc(Cl)cc2)c2ccccc2n1 | [O][C][C][=N][C][Branch2][Ring1][Ring1][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | c15nc4c2ccccc2n1.c16ccc(Cl)cc1.C3(C6)CO.OC5.N34 |
1922202 | CCc1nc(CCNC(=O)CN2CCN(c3ncccn3)CC2)no1 | [C][C][C][=N][C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][O][Ring2][Ring1][#Branch1] | N16CCN7CC1.c18nc9no1.c17ncccn1.C4(=O)C6.C9C5.CC8.N45 |
1922203 | COC(=O)N1CCCCC1C(=O)N1CCc2ccc(OC)cc2CC1 | [C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][=N] | N15CCc2ccc6cc2CC1.N14CCCCC17.C34=O.C57=O.CO3.O6C |
1922204 | Cc1ccc(-c2nc(Cn3ncc(N(C)C)cc3=O)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][Branch2][Ring1][C][C][N][N][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][Ring1][=Branch2][=O][=N][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | n15ncc4cc1=O.Cc1ccc7cc1.c17nc6no1.N4(C)C.C56 |
1922205 | Cc1cc(C)c2c(N(C)Cc3noc(C4CC4)n3)ncnc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][=N][C][=N][C][Ring1][P][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)c2c6ncnc2n1.c17noc8n1.N56C.C18CC1.C57 |
1922206 | CCc1nc(C)c(CNC(=O)C2CCN(C(=O)C3CC3)CC2)s1 | [C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][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][S][Ring2][Ring1][Branch1] | c19nc(C)c%10s1.C17CCN5CC1.C47=O.C58=O.C18CC1.CC9.C6%10.N46 |
1922207 | CCc1cnc(NC(CCO)c2ccc(C)cc2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][Branch1][Ring2][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C] | c15cnc4nc1.c16ccc(C)cc1.C36CCO.CC5.N34 |
1922208 | O=C1NCCCc2[nH]c(C3CC(=O)N(C4CCCC4)C3)nc21 | [O][=C][N][C][C][C][C][NH1][C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O][=N][C][=Ring1][S][Ring2][Ring1][Branch1] | O=C1NCCCc2[nH]c6nc21.C16CC(=O)N5C1.C15CCCC1 |
1922209 | O=C1NCCCc2[nH]c(-c3cc(-c4ccccc4)no3)nc21 | [O][=C][N][C][C][C][C][NH1][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=N][C][=Ring1][S][Ring2][Ring1][Branch1] | O=C1NCCCc2[nH]c5nc21.c15cc6no1.c16ccccc1 |
1922210 | COCCCN1CC2(CCN(C(=O)c3cncnc3C)CC2)CC1=O | [C][O][C][C][C][N][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][#C][C][C][Ring2][Ring1][Ring1][=O] | N17CC2(CCN4CC2)CC1=O.c16cncnc1C.C5CC7.C46=O.CO5 |
1922211 | Cc1nc(N2CCC(OCc3ccccn3)CC2)c2sccc2n1 | [C][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][=C][S][C][=C][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch1] | Cc1nc6c2sccc2n1.N16CCC5CC1.c17ccccn1.O45.C47 |
1922212 | COCCCN1CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)CC1=O | [C][O][C][C][C][N][C][C][Branch2][Ring1][Branch2][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][NH1][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring2][Ring1][C][=O] | N17CC2(CCN4CC2)CC1=O.c16cc(C)n[nH]1.C5CC7.C46=O.CO5 |
1922213 | Cc1cnc(NCCn2nc(C(F)(F)F)cc2C)nc1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][N][=C][Ring2][Ring1][Ring1] | Cc1cnc4nc1.n15nc6cc1C.C6(F)(F)F.C3C5.N34 |
1922214 | COCC(=O)N1CCCC(c2ncnn2CCc2ccccc2)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][=N][C][=N][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | N13CCCC7C1.c17ncnn15.c16ccccc1.C4C3=O.C5C6.CO4 |
1922215 | O=c1c2ccccc2ncn1Cc1nc(-c2cn3ccccc3n2)no1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][=N][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][O][Ring1][=C] | O=c1c2ccccc2ncn14.c16cn2ccccc2n1.c15nc6no1.C45 |
1922216 | COc1cc(C(=O)N2CC3CCC2CN(C(=O)N(C)C)C3)ccn1 | [C][O][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][N][=C][C][=N][Ring2][Ring1][=Branch1] | N14CC2CCC1CN5C2.c17cc8ccn1.C48=O.C56=O.N6(C)C.CO7 |
1922217 | CCCCSc1nc(N)cc(NCc2cc(C)[nH]n2)n1 | [C][C][C][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][=N][N][C][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1][=N][Ring1][#C] | c17nc5cc(N)n1.c16cc(C)[nH]n1.CCCC4.S47.N35.C36 |
1922218 | Cc1ccccc1C(C(=O)NC1(CO)CCCC1)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][N][Branch1][C][C][C] | Cc1ccccc16.C145CCCC1.C36C2=O.N3(C)C.N24.C5O |
1922219 | CC(=O)NCc1nc(-c2ccccn2)nn1Cc1cccc(C)c1 | [C][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c16nc8nn15.c17cccc(C)c1.c18ccccn1.CC3=O.N34.C46.C57 |
1922220 | Cc1nc(CC2CCN(C(=O)c3cnc(N(C)C)nc3C)CC2)no1 | [C][C][=N][C][Branch2][Ring2][C][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2][C][C][C][Ring2][Ring1][C][=N][O][Ring2][Ring1][Branch2] | c16cnc5nc1C.C18CCN4CC1.Cc1nc7no1.C46=O.N5(C)C.C78 |
1922221 | Cc1nn(CC(=O)N(C)Cc2cc(-c3ccncc3)no2)cc1Cl | [C][C][=N][N][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][=Branch1][Cl] | Cc1nn6cc1Cl.c17cc8no1.c18ccncc1.C6C4=O.N45C.C57 |
1922222 | CN(C)c1nc(N(C)CC2(CO)CCOCC2)ncc1F | [C][N][Branch1][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][=C][Ring1][P][F] | c14nc5ncc1F.C167CCOCC1.CN4C.N35C.C36.C7O |
1922223 | O=C(NCCc1ccccc1F)N1CCCC2(CCOC2)C1 | [O][=C][Branch1][=N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch2] | N14CCCC2(CCOC2)C1.c16ccccc1F.O=C34.C5C6.N35 |
1922224 | CCCc1n[nH]cc1C(=O)N1CCCC1c1nc2ccccc2n1C | [C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c16nc2ccccc2n1C.c15n[nH]cc14.N13CCCC16.CCC5.C34=O |
1922225 | Cc1nc(C)c(C(=O)N2CCC(Cc3cccc(C(N)=O)c3)C2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][Ring1][#C][S][Ring2][Ring1][#Branch1] | Cc1nc(C)c5s1.c18cccc6c1.N14CCC7C1.C45=O.C6(N)=O.C78 |
1922226 | CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)o1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][#C][O][Ring2][Ring1][Ring2] | N14CCN5CC1.c15ncccc16.c17nnc4o1.C6(N)=O.CC7 |
1922227 | Cc1ccnc(NCCCSc2nnc(C)s2)n1 | [C][C][=C][C][=N][C][Branch1][S][N][C][C][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=N][Ring1][P] | Cc1ccnc5n1.c16nnc(C)s1.C3CC4.N35.S46 |
1922228 | O=C(NCC1=CCCCC1)C(c1cccnc1)N1CCCC1 | [O][=C][Branch1][O][N][C][C][=C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | C3C1=CCCCC1.c15cccnc1.O=C2C45.N14CCCC1.N23 |
1922229 | Cc1nc(CCNc2nnc(C3CCC3)o2)sc1C | [C][C][N][=C][Branch2][Ring1][Ring1][C][C][N][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][Ring1][=Branch2][S][C][=Ring1][P][C] | Cc1nc6sc1C.c15nnc7o1.C17CCC1.C6C4.N45 |
1922230 | CCc1ncc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)cn1 | [C][C][C][=N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][O][C][=N][Ring2][Ring1][Branch1] | c17nc8cc(C)n1.c16ncc5cn1.C8(F)(F)F.C35=O.CC6.N34.C47 |
1922232 | COCC(NC(=O)c1ccc2ccn(C)c2c1)c1ccnn1C | [C][O][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=N][N][Ring1][Branch1][C] | c16ccc2ccn(C)c2c1.c17ccnn1C.C4C57.C36=O.CO4.N35 |
1922233 | Cc1cc(=O)c2ccccc2n1CCn1cnnc1 | [C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][N][C][=N][N][=C][Ring1][Branch1] | Cc1cc(=O)c2ccccc2n13.n14cnnc1.C3C4 |
1922234 | CC1(C)CNC(=O)c2nc(-c3cc4cc(F)ccc4[nH]3)[nH]c2C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][P][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][NH1][C][=Ring1][#C][C][Ring2][Ring1][=Branch1] | CC1(C)CNC(=O)c2nc5[nH]c2C1.c15cc2cc(F)ccc2[nH]1 |
1922235 | Cc1noc(-c2ccc(N(C)CCc3scnc3C)nc2)n1 | [C][C][=N][O][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][Branch1][C][C][C][C][C][S][C][=N][C][=Ring1][Branch1][C][N][=C][Ring1][S][=N][Ring2][Ring1][Branch1] | c17ccc5nc1.Cc1noc7n1.c16scnc1C.N45C.C4C6 |
1922236 | Cc1ccc(C(C(=O)N2CCC3(CCCO3)CC2)N(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=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][N][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1] | N14CCC2(CCCO2)CC1.Cc1ccc6cc1.C56C4=O.N5(C)C |
1922237 | CCc1nnc(CNc2ncc(C(C)=O)c(C)n2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][=N][Ring1][#Branch2][S][Ring1][P] | c14ncc5c(C)n1.c16nnc7s1.C5(C)=O.CC6.C37.N34 |
1922238 | O=C(CCN1CCCCCC1=O)NCC1CCOc2ccccc2C1 | [O][=C][Branch1][=N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][N][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | C16CCOc2ccccc2C1.N15CCCCCC1=O.O=C3CC5.N34.C46 |
1922239 | CN(C)C(C(=O)NCCN1CCOCC1)c1cccc(F)c1 | [C][N][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.N15CCOCC1.C36C2=O.CN3C.C4C5.N24 |
1922240 | CC(C)c1cc(N2CCOC(C(N)=O)C2)nc(N)n1 | [C][C][Branch1][C][C][C][=C][C][Branch1][S][N][C][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][=N][C][Branch1][C][N][=N][Ring1][S] | c15cc3nc(N)n1.N13CCOC4C1.CC5C.C4(N)=O |
1922241 | Cc1cc(=O)c2ccccc2n1Cc1noc(C2CC2)n1 | [C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2] | Cc1cc(=O)c2ccccc2n13.c14noc5n1.C15CC1.C34 |
1922242 | CC1CN(CC(O)CN2CCOCC2)CCN1c1nccs1 | [C][C][C][N][Branch1][#C][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][N][Ring1][S][C][=N][C][=C][S][Ring1][Branch1] | CC1CN3CCN15.N14CCOCC1.C3C(O)C4.c15nccs1 |
1922243 | CC1(C)C2CC=C(COC(=O)c3cnn4cccnc34)C1C2 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Ring1] | CC1(C)C2CC=C(C6)C1C2.c17cnn2cccnc12.C57=O.O56 |
1922244 | CNC(=O)C1CN(CCCN2CCOC2=O)c2ccccc2O1 | [C][N][C][=Branch1][C][=O][C][C][N][Branch1][N][C][C][C][N][C][C][O][C][Ring1][Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1] | C15CN4c2ccccc2O1.N16CCOC1=O.C4CC6.C35=O.CN3 |
1922245 | CCOc1ncccc1CNc1nc(C)ncc1S(C)(=O)=O | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15nc(C)ncc1S(C)(=O)=O.c13ncccc16.CC2.O23.C46.N45 |
1922246 | CCCOCC1CCN(c2nnc(C3CCC3)o2)C1 | [C][C][C][O][C][C][C][C][N][Branch1][S][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][Ring1][=Branch2][C][Ring1][=C] | C17CCN6C1.c16nnc8o1.C18CCC1.CCC4.O45.C57 |
1922247 | CN(C)C(C(=O)NC1(CO)CCCC1)c1ccc(F)cc1 | [C][N][Branch1][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.C145CCCC1.C36C2=O.CN3C.N24.C5O |
1922248 | Cc1ccccc1C(C(=O)NCc1cc(F)c(F)cc1F)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][N][Branch1][C][C][C] | c16cc(F)c(F)cc1F.Cc1ccccc15.C35C2=O.N3(C)C.N24.C46 |
1922249 | O=c1cc(N2CCOCC2)cnn1Cc1nc2ccccc2s1 | [O][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][N][Ring1][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.O=c1cc3cnn14.N13CCOCC1.C45 |
1922250 | Cc1ccnc(NCc2noc(-c3ccccc3)n2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=N][Ring2][Ring1][Ring1] | Cc1ccnc5n1.c16noc7n1.c17ccccc1.N45.C46 |
1922251 | CCn1nc(C)c(CNC(=O)C(c2ccc(C)cc2)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][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][Branch1][C] | n16nc(C)c7c1C.c18ccc(C)cc1.C3(=O)C58.N5(C)C.CC6.C47.N34 |
1922252 | CCCc1nnc(N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)o1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][O][N][C][C][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][C][Ring1][S][O][Ring2][Ring1][Branch1] | c17nc2ccc(C)cc2[nH]1.N15CCC7CC1.c16nnc5o1.CCC6 |
1922253 | CCc1ncc(C(=O)NCCn2nc(C)nc2C)cn1 | [C][C][C][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][=N][Ring2][Ring1][C] | c17ncc5cn1.n16nc(C)nc1C.C35=O.C4C6.CC7.N34 |
1922254 | CN1C(=O)C(c2ccccc2)CC12CCN(C(=O)C1CCC1)CC2 | [C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N] | CN1C(=O)C5CC12CCN3CC2.c15ccccc1.C14CCC1.C34=O |
1922255 | CCCc1nnc(N2CCN(c3ncccc3Cl)CC2)o1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N][O][Ring2][Ring1][C] | N14CCN5CC1.c15ncccc1Cl.c16nnc4o1.CCC6 |
1922256 | Cc1nc(CN2CCN(c3nnc(C)o3)CC2)no1 | [C][C][=N][C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][C][Ring1][N][=N][O][Ring2][Ring1][C] | N14CCN5CC1.Cc1nc6no1.c15nnc(C)o1.C46 |
1922257 | Cc1n[nH]c(CCNc2cc(N)nc(SCc3ccccc3)n2)n1 | [C][C][=N][NH1][C][Branch2][Ring1][O][C][C][N][C][=C][C][Branch1][C][N][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][=N][Ring2][Ring1][#Branch1] | c16cc(N)nc9n1.Cc1n[nH]c7n1.c18ccccc1.C7C4.N46.S59.C58 |
1922258 | COc1coc(C(=O)N2CCCCCC2c2ccco2)cc1=O | [C][O][C][=C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1][=C][C][Ring2][Ring1][Ring2][=O] | c14coc5cc1=O.N13CCCCCC16.c16ccco1.C35=O.CO4 |
1922259 | COc1cccc(C2CNC(=O)c3nc(-c4cccnc4)[nH]c3C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][Ring1][P][=C][Ring2][Ring1][#Branch1] | C17CNC(=O)c2nc6[nH]c2C1.c15cccc7c1.c16cccnc1.CO5 |
1922260 | CCc1ncc(C(=O)NCCSc2nnc(C)s2)cn1 | [C][C][C][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=N][Ring2][Ring1][C] | c17ncc6cn1.c18nnc(C)s1.C36=O.C4C5.CC7.N34.S58 |
1922261 | Cc1nnc(NCCc2noc(C3CCCO3)n2)o1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=N][O][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][Ring1][#Branch2][O][Ring2][Ring1][C] | Cc1nnc5o1.c16noc7n1.C17CCCO1.C4C6.N45 |
1922262 | COCc1cc(N2CCC(OCc3ccccn3)CC2)ncn1 | [C][O][C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][=N][C][=N][Ring2][Ring1][Ring2] | c18cc7ncn1.N17CCC6CC1.c19ccccn1.CO4.C48.O56.C59 |
1922263 | COc1cc(C(=O)N2CC3CCC2CN(S(C)(=O)=O)C3)ccn1 | [C][O][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][=C][C][=N][Ring2][Ring1][Branch1] | N14CC2CCC1CN6C2.c15cc7ccn1.S6(C)(=O)=O.C47=O.CO5 |
1922264 | CN(CCn1cc(-c2cncnc2)nn1)S(C)(=O)=O | [C][N][Branch2][Ring1][Ring2][C][C][N][C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][N][=N][Ring1][O][S][Branch1][C][C][=Branch1][C][=O][=O] | n15cc6nn1.c16cncnc1.S4(C)(=O)=O.CN34.C3C5 |
1922265 | O=c1c2cccn2cnn1Cc1cnn(-c2ccccc2F)c1 | [O][=C][C][=C][C][=C][N][Ring1][Branch1][C][=N][N][Ring1][=Branch2][C][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N] | O=c1c2cccn2cnn13.c15ccccc1F.c14cnn5c1.C34 |
1922266 | CCCc1nnc(N2CCCC(C(=O)c3ccccc3)C2)o1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][O][Ring2][Ring1][Ring1] | N14CCCC5C1.c17nnc4o1.c16ccccc1.CCC7.C56=O |
1922267 | COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)OCCCC2O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][O] | N13CCC2(CC1)OCCCC2O.c14ccc(Cl)cc15.C35=O.CO4 |
1922268 | COc1ncccc1CN1C(=O)COc2cccnc21 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][O] | C4N1C(=O)COc2cccnc21.c13ncccc14.CO3 |
1922269 | CN(C)C(C(=O)NCc1c(F)cccc1Cl)c1cccc(F)c1 | [C][N][Branch1][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16c(F)cccc1Cl.c15cccc(F)c1.C35C2=O.CN3C.N24.C46 |
1922270 | CCCn1nc(C)c(CNC(=O)C(c2ccc(F)cc2)N(C)C)c1C | [C][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][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][Branch1][C] | n16nc(C)c7c1C.c18ccc(F)cc1.C3(=O)C58.CCC6.N5(C)C.C47.N34 |
1922271 | CCn1cnnc1CCNc1nc(C)nc2onc(C)c12 | [C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][N][C][=N][C][Branch1][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][O][=Ring1][=Branch1] | c14nc(C)nc2onc(C)c12.n15cnnc16.C6C3.CC5.N34 |
1922272 | Cc1ccc2nc(CNC(=O)C(c3cccc(F)c3)N(C)C)[nH]c2c1 | [C][C][=C][C][=C][N][=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][NH1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | Cc1ccc2nc7[nH]c2c1.c18cccc(F)c1.C4(=O)C68.N6(C)C.C57.N45 |
1922273 | Cc1ccnc(NC2CCN(C(=O)N3CCCC3)CC2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Ring2] | Cc1ccnc6n1.C17CCN4CC1.N15CCCC1.C45=O.N67 |
1922274 | O=c1cc(N2CCCC2)cnn1CCCc1ccccc1 | [O][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][N][Ring1][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1cc3cnn14.c15ccccc1.N13CCCC1.C4CC5 |
1922275 | O=c1cnc2ccccc2n1Cc1cncn1C1CCCCC1 | [O][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][N][=C][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | O=c1cnc2ccccc2n13.c14cncn15.C15CCCCC1.C34 |
1922276 | CCCOC(C)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 | [C][C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C] | N13CCN6CC1.c17ccc(Cl)cc1.C5(C)C3=O.CCC4.O45.C67 |
1922277 | Cc1ccccc1C(C(=O)N(C)Cc1c(C)nn(C)c1C)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][N][Branch1][C][C][C] | c16c(C)nn(C)c1C.Cc1ccccc15.C35C2=O.N24C.N3(C)C.C46 |
1922278 | CCc1nnc(CNC(=O)c2cnc(-c3cccnc3)nc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][S][Ring2][Ring1][Branch1] | c16cnc9nc1.c17nnc8s1.c19cccnc1.C46=O.CC7.C58.N45 |
1922280 | Cc1cccc(C(C(=O)NC(C)(C)CN2CCOCC2)N(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][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][=C][Ring2][Ring1][#Branch1] | Cc1cccc7c1.N16CCOCC1.C47C3=O.C5(C)(C)C6.N4(C)C.N35 |
1922281 | CC(C)c1noc(-c2cnc(-c3ccncc3)nc2)n1 | [C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][=N][Ring1][P] | c15cnc6nc1.c14noc5n1.c16ccncc1.CC4C |
1922283 | Cc1nc(NC2CCc3ccccc3C2)c2c(C)noc2n1 | [C][C][=N][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][Branch1][C][C][=N][O][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1nc4c2c(C)noc2n1.C15CCc2ccccc2C1.N45 |
1922284 | OCc1nc(NCc2noc(-c3ccco3)n2)c2ccccc2n1 | [O][C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][#Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | c16nc5c2ccccc2n1.c17noc8n1.c18ccco1.OC6.N45.C47 |
1922285 | CC1(C)CNC(=O)c2nc(C3COCCO3)[nH]c2C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][C][O][C][C][O][Ring1][=Branch1][NH1][C][=Ring1][O][C][Ring2][Ring1][C] | CC1(C)CNC(=O)c2nc4[nH]c2C1.C14COCCO1 |
1922286 | CCCCSc1nc(N)cc(NCc2cccnc2)n1 | [C][C][C][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][#C] | c17nc5cc(N)n1.c16cccnc1.CCCC4.S47.N35.C36 |
1922287 | Cc1cc(CC2COCC2NC(=O)c2c[nH]c(C)cc2=O)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][C][=C][C][Ring1][#Branch1][=O][O][N][=Ring2][Ring1][=Branch1] | c15c[nH]c(C)cc1=O.Cc1cc6on1.C17COCC14.C35=O.C67.N34 |
1922288 | CC(=O)N1CC(NC(=O)CCc2c(C)nc(=O)[nH]c2C)C(C2CC2)C1 | [C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][C][=Branch1][C][=O][NH1][C][=Ring1][Branch2][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch1] | N13CC5C(C2CC2)C1.c16c(C)nc(=O)[nH]c1C.C4(=O)CC6.CC3=O.N45 |
1922290 | Cc1ccnc(N(C)CC2(CO)CCOCC2)n1 | [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][Ring1][P] | Cc1ccnc4n1.C156CCOCC1.N34C.C35.C6O |
1922291 | CN(C)C(=O)N1CC2CCC(C1)N(Cc1cnc[nH]1)C2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Ring1][=N] | N14CC2CCC(C1)N5C2.c16cnc[nH]1.CN3C.C34=O.C56 |
1922292 | CSc1nccn1-c1ccc(C(=O)N2CCCC2C(C)C)cc1 | [C][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][C][C][=C][Ring1][S] | c16ccc4cc1.c17nccn16.N13CCCC15.C34=O.C5(C)C.CS7 |
1922293 | CC(C)(C)c1ncc(NC(=O)c2cccc(N3CCOC3=O)c2)cn1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][=C][Ring1][N][C][=N][Ring2][Ring1][Branch1] | c17ncc5cn1.c16cccc8c1.N18CCOC1=O.CC7(C)C.C46=O.N45 |
1922294 | Cn1ccc(NC(=O)CSc2nccn2C)n1 | [C][N][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][=N][Ring1][S] | Cn1ccc5n1.c16nccn1C.C3(=O)C4.N35.S46 |
1922296 | O=C1c2cc(Cl)ccc2NC2(CCOCC2)N1C1CC1 | [O][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][N][Ring1][S][C][C][C][Ring1][Ring1] | O=C1c2cc(Cl)ccc2NC2(CCOCC2)N13.C13CC1 |
1922297 | Cc1noc(C)c1CCCNC(=O)C(c1cccc(F)c1)N(C)C | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][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] | Cc1noc(C)c15.c16cccc(F)c1.C2(=O)C46.C5CC3.N4(C)C.N23 |
1922298 | Cn1c(Cn2ccnc2)nnc1C1CCCN(Cc2cnc[nH]2)C1 | [C][N][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=N][N][=C][Ring1][O][C][C][C][C][N][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Ring1][N] | Cn1c5nnc17.C17CCCN3C1.n14ccnc1.c16cnc[nH]1.C45.C36 |
1922300 | COCCc1nc(-c2n[nH]c3c2CCCC3)n(C2CCCCC2)n1 | [C][O][C][C][C][N][=C][Branch1][=C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2] | c17n[nH]c2c1CCCC2.c15nc7n6n1.C16CCCCC1.C4C5.CO4 |
1922301 | CC(=O)NC1CCN(c2nnc(C(C)(C)C)o2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][C][Ring1][=C] | C15CCN4C1.c14nnc6o1.C6(C)(C)C.CC3=O.N35 |
1922303 | CC(C)c1cc(N2CC3CCCC(C3)C2)nc(N)n1 | [C][C][Branch1][C][C][C][=C][C][Branch1][S][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][=N][C][Branch1][C][N][=N][Ring1][S] | N14CC2CCCC(C2)C1.c15cc4nc(N)n1.CC5C |
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