ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1935200 | CC#CCSc1nc2ccccc2c(=O)n1C1CC1 | [C][C][#C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][Ring1][Ring1] | c15nc2ccccc2c(=O)n14.CC#CC3.C14CC1.S35 |
1935201 | CCCOC(=O)C(C)Sc1nc2ccccc2c(=O)n1C1CC1 | [C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][Ring1][Ring1] | c17nc2ccccc2c(=O)n16.C3(=O)C5C.CCC4.C16CC1.O34.S57 |
1935202 | CCCOC(=O)C(C)Sc1nnnn1C1CCCC1 | [C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] | c16nnnn15.C2(=O)C4C.C15CCCC1.CCC3.O23.S46 |
1935203 | Cc1cccc2c(N3CCC(O)C3)c(C#N)cnc12 | [C][C][=C][C][=C][C][=C][Branch1][O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][N][=C][Ring2][Ring1][C][Ring1][=C] | Cc1cccc2c4c(C#N)cnc12.N14CCC(O)C1 |
1935204 | COc1ccccc1CCN(C)Cc1ccncc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c12ccccc15.c16ccncc1.C5C3.N34C.CO2.C46 |
1935205 | CC(C)Cc1cc(C(=O)N2CCC3(CC2)OCCCC3O)n(C)n1 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][O][N][Branch1][C][C][N][=Ring2][Ring1][Ring2] | N14CCC2(CC1)OCCCC2O.c16cc5n(C)n1.CC(C)C6.C45=O |
1935206 | Cc1nc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC(O)C2)no1 | [C][C][=N][C][Branch2][Ring2][C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][Branch2] | N16CCN5CC(O)C1.c17n[nH]c2ccccc12.Cc1nc6no1.C57=O |
1935207 | Cc1nc2sccn2c1C(=O)N1Cc2cnc(CC(C)C)nc2C1 | [C][C][N][=C][S][C][=C][N][Ring1][Branch1][C][=Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][#Branch2][C][Ring1][=N] | N13Cc2cnc5nc2C1.Cc1nc2sccn2c14.C5C(C)C.C34=O |
1935208 | CCc1cc(C(=O)NCCc2c[nH]c3c(C)cccc23)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] | c18c[nH]c2c(C)cccc12.c17cc6cc(=O)[nH]1.C46=O.C5C8.CC7.N45 |
1935209 | COCC(c1ccccn1)N(C)C(=O)c1c[nH]c(=O)c2ccccc12 | [C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c16c[nH]c(=O)c2ccccc12.c17ccccn1.C4C57.N35C.C36=O.CO4 |
1935213 | Cc1ccc(C(=O)C(C)Sc2n[nH]c(=O)n2CC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc4cc1.c17n[nH]c(=O)n15.C4(=O)C3C.C16CCCO1.S37.C56 |
1935214 | Cc1ccc(C(=O)CSc2n[nH]c(=O)n2CC2CCCO2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc4cc1C.c17n[nH]c(=O)n15.C16CCCO1.C4(=O)C3.S37.C56 |
1935215 | O=C(c1ccoc1)N1CCN(c2cc(C3CC3)ncn2)CC(O)C1 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][N][Branch1][S][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=N][Ring1][=Branch2][C][C][Branch1][C][O][C][Ring1][P] | N14CCN5CC(O)C1.c15cc7ncn1.c16ccoc1.O=C46.C17CC1 |
1935216 | CN(CCCNC(=O)c1cc(C(F)(F)F)n[nH]1)c1ccccc1 | [C][N][Branch2][Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cc7n[nH]1.c15ccccc1.C3CC4.C7(F)(F)F.CN35.C26=O.N24 |
1935217 | COC1CCCOC12CCN(C(=O)c1cncnc1C)CC2 | [C][O][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][#C] | C14CCCOC12CCN3CC2.c15cncnc1C.C35=O.CO4 |
1935218 | Cc1ccnc(C(NC(=O)c2cc(=O)n(C)c(=O)n2C)C2CC2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][P][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c15cc(=O)n(C)c(=O)n1C.Cc1ccnc6c1.C467.C35=O.C17CC1.N34 |
1935219 | Cc1nc(CN2CCN(c3nccc(-c4ccccn4)n3)CC2)no1 | [C][C][=N][C][Branch2][Ring1][S][C][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][C][Ring2][Ring1][C][=N][O][Ring2][Ring1][Branch2] | N15CCN6CC1.c16nccc8n1.Cc1nc7no1.c18ccccn1.C57 |
1935220 | CCn1c(C)nnc1SCCNC(=O)c1cnc(C)c(C)c1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | c15cnc(C)c(C)c1.n16c7nnc1C.C4C3.C25=O.CC6.S47.N23 |
1935221 | Cc1ocnc1C(=O)NC(C)(C)Cc1ccc(F)cc1 | [C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.Cc1ocnc14.C3(C)(C)C5.C24=O.N23 |
1935222 | CCc1nc2ccc(NC(=O)NCCSc3nc(C)n[nH]3)cc2[nH]1 | [C][C][C][=N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][S][C][=N][C][Branch1][C][C][=N][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring1][=Branch1] | c19nc2ccc8cc2[nH]1.c1%10nc(C)n[nH]1.C45=O.C6C7.CC9.N48.N56.S7%10 |
1935223 | CCCCC1C=CCN1C(=O)Nc1ccc(OC)nc1 | [C][C][C][C][C][C][=C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2] | c15ccc4nc1.C16C=CCN12.CCCC6.C23=O.N35.O4C |
1935224 | CCC1CCCCN1C(=O)COc1cccc(C(C)=O)c1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | C16CCCCN12.c14cccc5c1.C2(=O)C3.C5(C)=O.CC6.O34 |
1935225 | CCOC(=O)c1ccc(OCC(=O)N2CCCC(C)C2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] | c18ccc7cc1.N14CCCC(C)C1.C6C4=O.C38=O.CC5.O35.O67 |
1935226 | COc1cc(C)ccc1OCC(=O)N1CCCC(C)C1 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c14cc(C)ccc15.N12CCCC(C)C1.C3C2=O.CO4.O35 |
1935227 | Cc1nnc(SCCOc2ccccc2Cl)s1 | [C][C][=N][N][=C][Branch1][=C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][S] | c14ccccc1Cl.Cc1nnc6s1.C5C3.S56.O34 |
1935228 | O=C(CSc1nncs1)N1CCCCCC1 | [O][=C][Branch1][#Branch2][C][S][C][=N][N][=C][S][Ring1][Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | N12CCCCCC1.c14nncs1.O=C2C3.S34 |
1935229 | CCC1CCCCN1C(=O)CSc1nc(C)cs1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1] | C14CCCCN12.c15nc(C)cs1.C2(=O)C3.CC4.S35 |
1935230 | COc1cc(C(C)=O)ccc1OCC(=O)N1CC(C)CC(C)C1 | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2] | c14cc6ccc15.N12CC(C)CC(C)C1.C3C2=O.C6(C)=O.CO4.O35 |
1935231 | CCC1CCCCN1C(=O)COc1ccc(C(C)=O)cc1OC | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][O][C] | c14ccc6cc15.C17CCCCN12.C2(=O)C3.C6(C)=O.CC7.O34.O5C |
1935233 | CCN(C(=O)COc1ccc(-n2cnnn2)cc1)C1CCCCC1 | [C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc8cc1.C17CCCCC1.n18cnnn1.C3(=O)C4.N367.CC6.O45 |
1935234 | O=C1c2ccccc2S(=O)(=O)N1Cc1cn2cc(Cl)ccc2n1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2] | O=C1c2ccccc2S(=O)(=O)N13.c14cn2cc(Cl)ccc2n1.C34 |
1935235 | COc1cccc(OC)c1OCCOc1ccccc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccc5c16.c17ccccc1.C2C3.CO4.O5C.O26.O37 |
1935236 | Cn1c(CO)nnc1C1CCCN(Cc2cc3ccccc3s2)C1 | [C][N][C][Branch1][Ring1][C][O][=N][N][=C][Ring1][#Branch1][C][C][C][C][N][Branch1][#C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Ring1][S] | c16cc2ccccc2s1.Cn1c5nnc17.C17CCCN4C1.C5O.C46 |
1935238 | Cc1cc2nc(C(=O)NCCNC(=O)c3cccnc3)cc(C)n2n1 | [C][C][C][=C][N][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Branch1][C][C][N][Ring2][Ring1][Branch1][N][=Ring2][Ring1][Branch2] | Cc1cc2nc8cc(C)n2n1.c19cccnc1.C48=O.C6C7.C59=O.N46.N57 |
1935240 | CCOC(=O)c1ccc(OCC(=O)N2CCCCC2C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][P] | c18ccc7cc1.N14CCCCC1C.C6C4=O.C38=O.CC5.O35.O67 |
1935241 | COc1cc(C(C)=O)ccc1OCCOc1ccccc1F | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14cc7ccc15.c16ccccc1F.C7(C)=O.C2C3.CO4.O25.O36 |
1935242 | CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1F | [C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | S4(=O)(=O)c1ccccc1F.c15ccccc1.C3C2=O.CN34.N25 |
1935246 | COc1ccc(-c2nc(N(C)C)n(C)n2)c(-n2nc(C)cc2C)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][N][=Ring1][=Branch2][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc6c5c1.c16nc4n(C)n1.n15nc(C)cc1C.N4(C)C.CO3 |
1935248 | O=C(CCn1cnnn1)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 | [O][=C][Branch1][#Branch2][C][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][C][NH1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][Ring1][S] | N14CCc2[nH]c6nc2C1.c16cccc(F)c1.O=C4CC5.n15cnnn1 |
1935249 | CCc1nnc(NC(=O)COc2ccccc2O)s1 | [C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][Ring1][P] | c15ccccc1O.c17nnc6s1.C3(=O)C4.CC7.N36.O45 |
1935250 | NC(=O)C1CN(Cc2ccc3cc(Cl)ccc3n2)CCO1 | [N][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][O][C][C][O][Ring2][Ring1][C] | c16ccc2cc(Cl)ccc2n1.C15CN4CCO1.NC5=O.C46 |
1935251 | O=C(c1ccoc1)N1CCN(c2ccc3ccccc3n2)CC(O)C1 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Branch1][C][O][C][Ring2][Ring1][C] | c15ccc2ccccc2n1.N14CCN5CC(O)C1.c16ccoc1.O=C46 |
1935252 | O=C(NCCc1c[nH]cn1)c1ccc2cccc(F)c2n1 | [O][=C][Branch1][O][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N][Ring1][O] | c15ccc2cccc(F)c2n1.c16c[nH]cn1.O=C35.C4C6.N34 |
1935254 | O=C(c1ccc(-c2nc(C3CCOC3)n[nH]2)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][Ring1][S][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc7cc1.c17nc6n[nH]1.N14CCOCC1.C16CCOC1.O=C45 |
1935255 | Cc1nc(CN2CCOC(c3ccccc3)C2)c2ccccn12 | [C][C][=N][C][Branch2][Ring1][Ring2][C][N][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][C][=C][C][=C][N][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1nc5c2ccccn12.N14CCOC6C1.c16ccccc1.C45 |
1935256 | COC(=O)c1c(C)[nH]c(C(=O)NC(C)c2ccccc2OC)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring1][C] | c18c(C)[nH]c7c1C.c19ccccc15.C38=O.C47=O.C69C.CO3.N46.O5C |
1935258 | COc1ccc(CC(=O)N(C)Cc2ccc(SC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c17ccc8cc1.C6C3=O.N35C.CO4.C57.S8C |
1935259 | COc1cccc(CC(=O)N(C)Cc2ccc(SC)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | c14cccc6c1.c17ccc8cc1.C6C3=O.N35C.CO4.C57.S8C |
1935261 | CCn1c(SCC(=O)N(C)Cc2cccnc2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n16c8nc2ccccc21.c17cccnc1.C5C3=O.N34C.CC6.S58.C47 |
1935262 | CN(Cc1cccnc1)C(=O)c1cccc(-n2cnnn2)c1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O] | c15cccc7c1.c16cccnc1.n17cnnn1.CN34.C35=O.C46 |
1935263 | COCC(Cc1ccccc1)NC(=O)c1ccccc1-c1nc[nH]n1 | [C][O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1] | c15ccccc17.c16ccccc1.C3C4C6.c17nc[nH]n1.C25=O.CO3.N24 |
1935264 | CC1CCCC(OC(=O)c2ccc3c(c2)NC(=O)CS3)C1 | [C][C][C][C][C][C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][Ring1][Branch2][C][Ring2][Ring1][Ring2] | c16ccc2c(c1)NC(=O)CS2.CC1CCCC5C1.C46=O.O45 |
1935265 | CC1CCCC(OC(=O)C2CC(=O)N(Cc3ccccc3)C2)C1 | [C][C][C][C][C][C][Branch2][Ring1][O][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][=Branch1] | CC1CCCC5C1.C16CC(=O)N7C1.c18ccccc1.C46=O.O45.C78 |
1935266 | O=C(CCC(=O)c1ccc(F)cc1)Nc1nnc(C2CC2)s1 | [O][=C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | O=C3CCC5=O.c15ccc(F)cc1.c14nnc6s1.C16CC1.N34 |
1935267 | Cc1cccc(NC(=O)CN(C)C(=O)COc2ccccc2O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring2][Ring1][#Branch1][C] | Cc1cccc8c1C.c16ccccc1O.C3(=O)C7.C4(=O)C5.N47C.N38.O56 |
1935268 | c1ccc(-n2nnnc2CNc2nccc(-c3ccncc3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][N][N][N][=N][N][=C][Ring1][Branch1][C][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][=Branch2] | c15nccc8n1.c1ccc7cc1.n17nnnc16.c18ccncc1.C46.N45 |
1935269 | CS(=O)(=O)c1ccc(-c2cncc(C(=O)N3CCCC3)n2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | CS(=O)(=O)c1ccc6cc1.c16cncc5n1.N14CCCC1.C45=O |
1935270 | COc1ccccc1CN(Cc1ccncc1)C(=O)c1cc(C)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1] | c13ccccc17.c18ccncc1.c16cc(C)no1.N245.C26=O.CO3.C47.C58 |
1935271 | COCCN(Cc1cnn(C)c1)C(=O)CN1CCCCC1=O | [C][O][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | N16CCCCC1=O.c17cnn(C)c1.C2(=O)C6.C3C4.N245.CO3.C57 |
1935272 | O=C(NCCNc1cccnc1)c1cnc(N2CCOCC2)nc1 | [O][=C][Branch1][=N][N][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N] | c18cnc6nc1.c17cccnc1.N16CCOCC1.O=C38.C4C5.N34.N57 |
1935273 | O=C(c1cnc(Nc2ccccc2)nc1)N1CCC1 | [O][=C][Branch2][Ring1][Ring2][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][C][C][C][Ring1][Ring2] | c16cnc4nc1.c15ccccc1.N13CCC1.O=C36.N45 |
1935274 | COc1ccc(CN2CCCOC(CN3CCOCC3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][C][C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | N15CCCOC7C1.c14ccc8cc1.N16CCOCC1.CO4.C58.C67 |
1935275 | O=C(NCC1(O)CCCCC1)c1ccc2cccc(Cl)c2n1 | [O][=C][Branch1][=C][N][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1][=N][Ring1][O] | c15ccc2cccc(Cl)c2n1.C16(O)CCCCC1.O=C35.N34.C46 |
1935276 | Cn1cnnc1CCC(=O)NC1c2ccccc2-c2ccccc21 | [C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | N3C1c2ccccc2-c2ccccc21.Cn1cnnc14.C4CC3=O |
1935277 | COCc1ccc(C(=O)NCc2ccon2)s1 | [C][O][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=C][O][N][=Ring1][Branch1][S][Ring1][=C] | c17ccc6s1.c18ccon1.C36=O.CO4.C47.N35.C58 |
1935278 | O=C(c1cc(=O)nc2sccn12)N1CCNC(c2ccccc2)C1 | [O][=C][Branch1][P][C][=C][C][=Branch1][C][=O][N][=C][S][C][=C][N][Ring1][#Branch2][Ring1][Branch1][N][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c14cc(=O)nc2sccn12.N13CCNC5C1.c15ccccc1.O=C34 |
1935279 | CCCN1C(=O)C2CCC1CN(C(=O)c1cc(C3CC3)[nH]n1)C2 | [C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][C][Ring1][P] | N16C(=O)C2CCC1CN4C2.c15cc7[nH]n1.CCC6.C45=O.C17CC1 |
1935280 | COC(=O)c1cc(CSc2ccc(F)cc2)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Ring1][=C][C] | c15cc6oc1C.c17ccc(F)cc1.C35=O.CO3.C46.S47 |
1935281 | CCc1ccccc1NC(=O)CN(C)C(=O)COc1ccccc1O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c18ccccc17.c15ccccc1O.C2(=O)C6.C3(=O)C4.N36C.CC8.N27.O45 |
1935284 | O=C(c1cccc(-n2cnnc2)n1)N1CCN(c2ncccn2)CC1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=N][Ring1][O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15cccc6n1.N13CCN4CC1.c14ncccn1.n16cnnc1.O=C35 |
1935286 | O=C(CCn1c(CO)nc2ccccc21)NCCN1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1] | n16c7nc2ccccc21.N15CCOCC1.O=C3CC6.C4C5.C7O.N34 |
1935287 | CC(=O)c1ccc(OCCCC(=O)N2CC(C)OC(C)C2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | N13CC(C)OC(C)C1.c16ccc5cc1.C4CCC3=O.CC6=O.O45 |
1935290 | O=C(CN1CCCCC1=O)N1CCC(c2cc(=O)[nH]cn2)CC1 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][C][Branch1][N][C][=C][C][=Branch1][C][=O][NH1][C][=N][Ring1][#Branch1][C][C][Ring1][=N] | N14CCCCC1=O.N13CCC5CC1.c15cc(=O)[nH]cn1.O=C3C4 |
1935291 | O=C(Nc1cc(F)cc(F)c1F)N1CCCC(O)(CO)CC1 | [O][=C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][F][N][C][C][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][C][Ring1][#Branch2] | c14cc(F)cc(F)c1F.N13CCCC5(O)CC1.O=C23.N24.C5O |
1935293 | Cc1cccc(CN(CC2CCCO2)C(=O)c2ncoc2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1cccc8c1.c16ncoc1C.C17CCCO1.N345.C36=O.C48.C57 |
1935294 | Cc1[nH]c(-c2ccccc2)nc1C(=O)NC1c2ccccc2CC1O | [C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O] | N3C1c2ccccc2CC1O.Cc1[nH]c5nc14.c15ccccc1.C34=O |
1935295 | CC(=O)NC(C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N] | c17ccc(F)cc1.c16nc7cs1.C5(C)C4=O.CC3=O.N35.N46 |
1935296 | COCC1(C(=O)NC2(Cc3cccc(C)c3)CC2)CCC1 | [C][O][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][O][C][C][C][Ring2][Ring1][C] | c1%10cccc(C)c1.C178CCC1.C169CC1.C47=O.CO5.C58.N46.C9%10 |
1935297 | CC(C)Cc1nnc(NC(=O)COc2ccccc2O)s1 | [C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][Ring1][P] | c15ccccc1O.c17nnc6s1.CC(C)C7.C3(=O)C4.N36.O45 |
1935298 | CN(CCn1cccn1)C(=O)c1cc(S(N)(=O)=O)ccc1F | [C][N][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][F] | c14cc(S(N)(=O)=O)ccc1F.n15cccn1.CN23.C3C5.C24=O |
1935299 | COCc1cc(CN(C)C(=O)C2CC(=O)OC23CCCCC3)n[nH]1 | [C][O][C][C][=C][C][Branch2][Ring1][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1][=N][NH1][Ring2][Ring1][Branch1] | C17CC(=O)OC12CCCCC2.c18cc9n[nH]1.N46C.C47=O.CO5.C58.C69 |
1935300 | Cc1cccc2nc(C(=O)N(Cc3cocn3)Cc3cocn3)cn12 | [C][C][=C][C][=C][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][O][C][=N][Ring1][Branch1][C][C][=C][O][C][=N][Ring1][Branch1][=C][N][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] | Cc1cccc2nc7cn12.c18cocn1.c19cocn1.C47=O.N456.C58.C69 |
1935301 | c1ccc(COCc2nc(C3CCOCC3)n[nH]2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][NH1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c1ccc7cc1.c16nc8n[nH]1.C18CCOCC1.C47.O45.C56 |
1935304 | Cc1csc(C(C)N(C)C(=O)c2cccc3nccnc23)n1 | [C][C][=C][S][C][Branch2][Ring1][O][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | c16cccc2nccnc12.Cc1csc7n1.C57C.N45C.C46=O |
1935305 | Cc1[nH]nc(CCC(=O)NCCNc2cccnc2)c1C | [C][C][NH1][N][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring2][Ring1][Ring1][C] | Cc1[nH]nc7c1C.c16cccnc1.C7CC3=O.C4C5.N34.N56 |
1935306 | CN(CCC(O)c1ccccc1)C(=O)c1nn(C)c2c1CCCC2 | [C][N][Branch1][#C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1] | c15nn(C)c2c1CCCC2.c16ccccc1.C4CC6O.CN34.C35=O |
1935307 | CC(C)OC(C)C(=O)N(Cc1cocn1)Cc1cocn1 | [C][C][Branch1][C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][O][C][=N][Ring1][Branch1][C][C][=C][O][C][=N][Ring1][Branch1] | C4(C)C2=O.c17cocn1.c18cocn1.CC3C.N256.O34.C57.C68 |
1935309 | O=C(NCc1cn2c(n1)SCC2)c1cnc(N2CCOCC2)nc1 | [O][=C][Branch1][P][N][C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][C][Ring1][=Branch1][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N] | c17cn2c(n1)SCC2.c16cnc5nc1.N15CCOCC1.O=C36.N34.C47 |
1935310 | Cc1cccc(C(=O)NC(C)C(=O)NC(C)c2ccncc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cccc7c1.c18ccncc1.C5(C)C4=O.C37=O.C68C.N35.N46 |
1935311 | CC(NC(=O)CCC(=O)c1ccc(F)cc1)c1ccncc1 | [C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | C2(=O)CCC4=O.c14ccc(F)cc1.c15ccncc1.CC35.N23 |
1935312 | CCc1ccc(C(C)NC(=O)c2cccn2C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c16ccc7cc1.c15cccn1C.C47C.C35=O.CC6.N34 |
1935313 | CN(CCc1ccccn1)C(=O)CC1CCc2ccccc21 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | C3(=O)CC1CCc2ccccc21.c15ccccn1.CN34.C4C5 |
1935314 | CC(C)c1nnsc1CNC(=O)c1cccc(-n2cnnc2)n1 | [C][C][Branch1][C][C][C][N][=N][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=N][Ring1][O] | c15cccc8n1.c16nnsc17.n18cnnc1.CC6C.C35=O.C47.N34 |
1935315 | CC(C)N1CCOC(CC(=O)NCCCc2ccccc2F)C1 | [C][C][Branch1][C][C][N][C][C][O][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Ring2] | N14CCOC6C1.c17ccccc1F.C6C3=O.C5CC7.CC4C.N35 |
1935316 | Cc1cc(C)n(C2CN(Cc3cc4c(cc3Cl)OCO4)C2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][O][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][O][Ring1][Branch2][C][Ring1][#C][N][=Ring2][Ring1][Branch1] | c16cc2c(cc1Cl)OCO2.Cc1cc(C)n7n1.C17CN5C1.C56 |
1935318 | COc1ccccc1OC(=O)c1cccc(OC)c1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C] | c17cccc5c16.c13ccccc14.C27=O.CO3.O24.O5C.O6C |
1935319 | Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c(C)n1C(C)C | [C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][Branch1][C][C][N][Ring2][Ring1][Branch1][C][Branch1][C][C][C] | Cc1cc6c(C)n17.N14CCN5CC1.c15ccc(O)cc1.C46=O.C7(C)C |
1935320 | O=C1CCCN1CCCNC(=O)C1(c2ccc(Cl)cc2)CCC1 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][O] | c17ccc(Cl)cc1.O=C1CCCN16.C157CCC1.C6CC4.C35=O.N34 |
1935321 | Cc1cc2ccccc2n1CCNC(=O)C1CC(=O)Nc2ccccc21 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | C3(=O)C1CC(=O)Nc2ccccc21.Cc1cc2ccccc2n15.C5C4.N34 |
1935322 | Cc1cccc(-n2nc(C)nc2C(C)Oc2ccc(F)cc2F)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch1] | c14ccc(F)cc1F.Cc1cccc6n1.n16nc(C)nc15.C35C.O34 |
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