ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1933244 | O=C1CC(COC(=O)c2c[nH]nc2-c2ccccc2F)CN1 | [O][=C][C][C][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][N][Ring2][Ring1][Branch1] | c17ccccc1F.O=C1CC6CN1.c15c[nH]nc17.C35=O.C46.O34 |
1933245 | O=C(CCNc1nc2cc(F)ccc2o1)NCc1ccccn1 | [O][=C][Branch2][Ring1][Ring2][C][C][N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nc2cc(F)ccc2o1.c17ccccn1.O=C3CC4.N46.N35.C57 |
1933246 | COCc1ccc(C2CCCN2C(=O)Nc2nccs2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][O][Ring2][Ring1][C] | c17ccc8o1.C18CCCN13.c16nccs1.C34=O.CO5.C57.N46 |
1933247 | COC(=O)C(c1ccccc1C)N1CCN(C(=O)c2ccco2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | c17ccccc1C.N15CCN4CC1.C3(=O)C57.c16ccco1.C46=O.CO3 |
1933248 | COC(=O)C(NC1CCc2nc(C)nn2C1)c1ccccc1C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][C][C][C][=N][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | C15CCc2nc(C)nn2C1.c16ccccc1C.C3(=O)C46.CO3.N45 |
1933249 | COC1CCCC1OC(=O)c1ccc(-n2nc(C)cc2C)nc1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N] | c16ccc7nc1.n17nc(C)cc1C.C14CCCC15.C36=O.CO4.O35 |
1933250 | O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1Cc1ccccn1 | [O][=C][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=N][N][Ring1][P][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccc2c(c1)OCCCO2.O=c1ccc6nn14.c15ccccn1.C45 |
1933251 | N#Cc1cccc(S(=O)(=O)N(Cc2ccccn2)c2cn[nH]c2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | N#Cc1cccc(S4(=O)=O)c1.c16ccccn1.c15cn[nH]c1.N345.C36 |
1933253 | Cn1cc(COC(=O)c2cc(Cl)ccc2Br)cn1 | [C][N][C][=C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Br][C][=N][Ring1][P] | c15cc(Cl)ccc1Br.Cn1cc6cn1.C35=O.C46.O34 |
1933254 | O=C(CSc1ccc(Br)cn1)N1CCCC1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1] | c14ccc(Br)cn1.N12CCCC1.O=C2C3.S34 |
1933255 | COc1ccnc(N(C)C(C)c2ccc(S(C)(=O)=O)cc2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | c16ccc(S(C)(=O)=O)cc1.c13ccnc5n1.N45C.C46C.CO3 |
1933256 | O=C(CCCOc1ccc(F)cc1)NCc1cn2ccsc2n1 | [O][=C][Branch1][S][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2] | c17cn2ccsc2n1.c15ccc(F)cc1.O=C3CCC4.O45.N36.C67 |
1933257 | COc1ncccc1CNC(=O)c1cc(C(C)C)nc2onc(C)c12 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][=N][=Ring1][=Branch1] | c16cc7nc2onc(C)c12.c14ncccc18.C36=O.C7(C)C.CO4.C58.N35 |
1933258 | O=C(OCC1CCCO1)C1CCN(c2cnccn2)CC1 | [O][=C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | C16CCN5CC1.c15cnccn1.C17CCCO1.O=C36.O34.C47 |
1933259 | Cc1noc(CCC(=O)NCC(=O)Nc2ccc(Cl)cc2)n1 | [C][C][=N][O][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | c16ccc(Cl)cc1.Cc1noc7n1.C7CC3=O.C5C4=O.N35.N46 |
1933260 | CCC(C)NC(=O)c1ccc(NC(=O)C2CCC(C(N)=O)CC2)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c19ccc6cc1.C17CCC8CC1.CCC5C.C39=O.C47=O.C8(N)=O.N35.N46 |
1933261 | CCC(C)NC(=O)c1ccc(NC(=O)c2ccnc3ccccc23)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c19ccnc2ccccc12.c18ccc7cc1.CCC6C.C48=O.C59=O.N46.N57 |
1933262 | O=C(Cc1cn2ccccc2n1)NC1CCN(c2ccccc2)CC1 | [O][=C][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c16cn2ccccc2n1.C15CCN4CC1.c14ccccc1.O=C3C6.N35 |
1933263 | Cc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Branch1][C][C][O][Ring2][Ring1][Branch2] | c16cccc8c1C.Cc1cc7c(C)o1.N15CCOCC1.C47=O.C58=O.N46 |
1933264 | CC(CNC(=O)c1n[nH]c(=O)[nH]1)COCc1ccccc1 | [C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16n[nH]c(=O)[nH]1.c17ccccc1.CC(C3)C5.C26=O.N25.O34.C47 |
1933265 | CC1CN(C2CCN(Cc3noc(C4CC4)n3)CC2)CCO1 | [C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][S][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][C][Ring1][#C][C][C][O][Ring2][Ring1][Branch1] | CC1CN6CCO1.C16CCN5CC1.c17noc8n1.C18CC1.C57 |
1933266 | O=C(CCNC(=O)Nc1ccc2ccccc2c1)NC1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][C][Ring1][Branch1] | c17ccc2ccccc2c1.O=C3CC6.C18CCCC1.C45=O.N46.N57.N38 |
1933267 | CCOC(C)c1ccc(-c2ccc(NC3CC3)nn2)cc1 | [C][C][O][C][Branch1][C][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][=N][Ring1][#Branch2][C][=C][Ring1][S] | c18ccc9cc1.c19ccc6nn1.C58C.C17CC1.CC4.O45.N67 |
1933269 | CCN(Cc1ccc(C)o1)C(=O)c1coc(CN2CCOCC2)c1 | [C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N] | c18ccc(C)o1.c17coc9c1.N16CCOCC1.N345.C37=O.CC4.C58.C69 |
1933270 | Cc1nc(CCCc2cn[nH]c2)n(CCc2cnc[nH]2)n1 | [C][C][N][=C][Branch1][O][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][N][Branch1][#Branch2][C][C][C][=C][N][=C][NH1][Ring1][Branch1][N][=Ring2][Ring1][Ring2] | Cc1nc4n3n1.c16cn[nH]c1.c15cnc[nH]1.C4CC6.C3C5 |
1933271 | NC(C(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1 | [N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCN4CC1.c14ccccc1O.c15ccccc1.NC5C3=O |
1933272 | O=c1ccnc2sc(NCc3cnn(Cc4ccccc4)c3)nn12 | [O][=C][C][=C][N][=C][S][C][Branch2][Ring1][Branch1][N][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][=N][N][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | O=c1ccnc2sc6nn12.c18cnn7c1.c19ccccc1.N56.C58.C79 |
1933273 | Cc1nc(CCNCc2c[nH]nc2-c2cccnc2)cs1 | [C][C][=N][C][Branch2][Ring1][Ring2][C][C][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring2][Ring1][Ring2] | Cc1nc5cs1.c16c[nH]nc17.c17cccnc1.C5C3.N34.C46 |
1933275 | Cc1n[nH]cc1CNc1ccc2nnc(C(F)(F)F)n2n1 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][=Ring1][=N] | c14ccc2nnc5n2n1.Cc1n[nH]cc16.C5(F)(F)F.C36.N34 |
1933276 | Cc1cc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)on1 | [C][C][C][=C][Branch2][Ring1][O][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][N][=Ring2][Ring1][#Branch1] | c15ncnc2c1cnn27.c17ccc(F)cc1.Cc1cc6on1.C46.N45 |
1933277 | Cn1ncc2c(N3CCCC3c3ccc[nH]3)ncnc21 | [C][N][N][=C][C][=C][Branch1][#C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][NH1][Ring1][Branch1][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1] | Cn1ncc2c4ncnc21.N14CCCC15.c15ccc[nH]1 |
1933278 | Cc1n[nH]c(C)c1CNc1ccc2nnc(C(F)(F)F)n2n1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][=Ring1][=N] | c14ccc2nnc5n2n1.Cc1n[nH]c(C)c16.C5(F)(F)F.C36.N34 |
1933280 | CNC(=O)c1ccc(CNC(=O)Cc2cc(OC)ccc2OC)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | c1%10cc5ccc16.c18ccc9cc1.C4(=O)C%10.C38=O.CN3.C79.N47.O5C.O6C |
1933281 | O=C(OCc1cccnc1)C1CCN(c2cnccn2)CC1 | [O][=C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | C16CCN5CC1.c17cccnc1.c15cnccn1.O=C36.O34.C47 |
1933283 | O=C(CNC(=O)c1cccc(F)c1)NCc1cccc2ccccc12 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c18cccc2ccccc12.c17cccc(F)c1.O=C3C5.C47=O.N45.N36.C68 |
1933284 | O=C(NCc1cccc2ccccc12)c1ccc(C(F)(F)F)nc1 | [O][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2] | c17cccc2ccccc12.c15ccc6nc1.C6(F)(F)F.O=C35.N34.C47 |
1933285 | COc1ccc(OC)c(CC(=O)NCc2ccc(C)cc2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18ccc(C)cc1C.C7C3=O.CO4.O5C.N36.C68 |
1933286 | COc1ccc(OC)c(CC(=O)NCc2cccc(C#N)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18cccc(C#N)c1.C7C3=O.CO4.O5C.N36.C68 |
1933290 | COc1ccc(OC)c(CC(=O)N(C)C(C)c2ccccc2OC)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][#Branch1] | c14ccc5c8c1.c19ccccc16.C8C3=O.N37C.C79C.CO4.O5C.O6C |
1933292 | CCc1cc(NC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)n(C)n1 | [C][C][C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1] | c19nc2ccsc2c(=O)[nH]1.c18cc7n(C)n1.C45=O.N56C.CC8.N47.C69 |
1933293 | COCc1ccc(C2CCCN2C(=O)Nc2c(C)ccn(C)c2=O)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][N][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][N][Branch1][C][C][C][Ring1][Branch2][=O][O][Ring2][Ring1][=Branch1] | c16c(C)ccn(C)c1=O.c17ccc8o1.C18CCCN13.C34=O.CO5.C57.N46 |
1933299 | COc1ccc2c(c1)CCCC2CNC(=O)N(C)Cc1ccncc1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc2c(c1)CCCC2C6.c18ccncc1.C34=O.N47C.CO5.N36.C78 |
1933300 | CCOc1cc(N2CCC(c3cnn(C)c3)CC2)ncn1 | [C][C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][N][=N][C][=N][Ring2][Ring1][C] | c15cc6ncn1.N16CCC7CC1.c17cnn(C)c1.CC4.O45 |
1933301 | CCCCOc1ccccc1CN1CCN(C(C)=O)CC1 | [C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2] | c14ccccc16.N15CCN2CC1.CCCC3.C2(C)=O.O34.C56 |
1933302 | COC(=O)CN1CCC(Nc2cccc(-c3ncon3)c2)CC1 | [C][O][C][=Branch1][C][=O][C][N][C][C][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][=C][Ring1][O][C][C][Ring2][Ring1][C] | N15CCC7CC1.c16cccc8c1.c18ncon1.C4(=O)C5.CO4.N67 |
1933303 | OC1(C(F)(F)F)CCN(Cc2cccs2)CC1 | [O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][S] | OC15CCN3CC1.c14cccs1.C5(F)(F)F.C34 |
1933304 | Cc1ccc(CN2CCC(O)(C(F)(F)F)CC2)s1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O][S][Ring1][P] | N13CCC5(O)CC1.Cc1ccc4s1.C5(F)(F)F.C34 |
1933305 | COc1ccc2c(c1)CCCC2CNC(=O)CCc1ccncc1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc2c(c1)CCCC2C5.c16ccncc1.C3(=O)CC6.CO4.N35 |
1933306 | CC(Cn1cc(Br)cn1)Nc1ccc(C(N)=O)cc1 | [C][C][Branch1][N][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c13ccc4cc1.n15cc(Br)cn1.CC2C5.C4(N)=O.N23 |
1933307 | Cc1ccc2c(c1)N(C(=O)CCCCc1cn[nH]n1)CC2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][C][C][=N][NH1][N][=Ring1][Branch1][C][C][Ring1][P] | Cc1ccc2c(c1)N3CC2.C3(=O)CCCC4.c14cn[nH]n1 |
1933308 | CC(CO)NC(=O)c1ccccc1NCc1ccco1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc15.c17ccco1.CC3CO.C26=O.N23.N45.C47 |
1933310 | Cc1cccc(NC(=O)Nc2cnn(C)c2)c1Br | [C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][S][Br] | Cc1cccc5c1Br.c16cnn(C)c1.C34=O.N35.N46 |
1933311 | O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc2nccnc2c1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2nccnc2c1.c17cc(F)cc(F)c1.O=C3C5.C47=O.N45.N36 |
1933312 | Cc1ccn(C)c(=O)c1NC(=O)CNC(=O)c1cc(F)cc(F)c1 | [C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | Cc1ccn(C)c(=O)c15.c16cc(F)cc(F)c1.C2(=O)C4.C36=O.N25.N34 |
1933314 | c1coc(Cn2c(SC3CCOCC3)nnc2-c2ccco2)c1 | [C][=C][O][C][Branch2][Ring1][O][C][N][C][Branch1][#Branch2][S][C][C][C][O][C][C][Ring1][=Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch1] | n14c6nnc18.C17CCOCC1.c1coc5c1.c18ccco1.C45.S67 |
1933316 | c1ccc(NCc2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][N][C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][O][Ring1][P][C][=C][Ring2][Ring1][=Branch2] | c19ccc7cc1.c1ccc6cc1.c18nc9no1.N17CCOCC1.N56.C58 |
1933317 | Cc1cc(NC(=O)CCN2CCOCC2C2CCCC2=O)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][=O][=N][O][Ring2][Ring1][=Branch1] | N14CCOCC16.Cc1cc5no1.C16CCCC1=O.C3(=O)CC4.N35 |
1933318 | Cc1cc(NC(=O)CNC(=O)c2ccoc2C)n(-c2ccccn2)n1 | [C][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=Ring2][Ring1][Branch2] | Cc1cc6n8n1.c17ccoc1C.c18ccccn1.C3(=O)C5.C47=O.N36.N45 |
1933319 | CCC(C)(NC(=O)CNC(=O)c1cc(C)cc(C)c1)c1nccs1 | [C][C][C][Branch1][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=N][C][=C][S][Ring1][Branch1] | c16cc(C)cc(C)c1.CCC47C.c17nccs1.C2(=O)C5.C36=O.N24.N35 |
1933320 | Cc1occc1S(=O)(=O)Cc1noc(CC(C)C)n1 | [C][C][O][C][=C][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2] | Cc1occc1S(=O)(=O)C2.c12noc3n1.C3C(C)C |
1933321 | Cc1occc1S(=O)(=O)Cc1ccc(F)cc1F | [C][C][O][C][=C][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | Cc1occc1S(=O)(=O)C2.c12ccc(F)cc1F |
1933322 | CCc1n[nH]c(Sc2ccnc3cc(Br)cnc23)n1 | [C][C][C][=N][NH1][C][Branch2][Ring1][Ring1][S][C][=C][C][=N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][O][Ring1][#Branch1][=N][Ring1][P] | c16ccnc2cc(Br)cnc12.c14n[nH]c5n1.CC4.S56 |
1933323 | c1ccc(-c2nc(NCc3ccc(-n4cncn4)cc3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c17ccc8cc1.c1ccc9cc1.c19nc6no1.n18cncn1.N56.C57 |
1933324 | CCc1noc(C)c1NC(=O)N1CCN(Cc2ccccn2)CC1 | [C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N] | c17noc(C)c16.N14CCN5CC1.c18ccccn1.C34=O.CC7.N36.C58 |
1933325 | CCc1nc(CN(C)C(C(N)=O)c2cccc(F)c2)n[nH]1 | [C][C][C][=N][C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][NH1][Ring2][Ring1][Ring1] | c17cccc(F)c1.c15nc6n[nH]1.C47C(N)=O.N34C.CC5.C36 |
1933326 | CN(Cc1cccnc1)C(=O)Nc1cccc(-c2ncn(C)n2)c1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][N] | c16cccc8c1.c17cccnc1.c18ncn(C)n1.CN35.C34=O.C57.N46 |
1933327 | Cn1nccc1CNc1cc(C#N)ccc1C(F)(F)F | [C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F] | c13cc(C#N)ccc15.Cn1nccc14.C5(F)(F)F.C24.N23 |
1933328 | Cc1nc(NC(C)C(=O)N2CCOCC2)c2c(C)csc2n1 | [C][C][=N][C][Branch2][Ring1][C][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1nc5c2c(C)csc2n1.N13CCOCC1.C4(C)C3=O.N45 |
1933329 | NC(=O)c1cn(-c2nc(-c3ccccc3)ns2)cn1 | [N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][S][Ring1][O][C][=N][Ring1][S] | c14cn5cn1.c15nc6ns1.c16ccccc1.NC4=O |
1933330 | CCOc1cc(N(C)CCN2CCCC2=O)ncn1 | [C][C][O][C][=C][C][Branch1][#C][N][Branch1][C][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][=N][C][=N][Ring1][S] | c14cc6ncn1.N17CCCC1=O.N56C.C5C7.CC3.O34 |
1933331 | CCOc1cc(N2CCC(c3nc[nH]n3)CC2)ncn1 | [C][C][O][C][=C][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][O][=N][C][=N][Ring1][P] | c15cc6ncn1.N16CCC7CC1.c17nc[nH]n1.CC4.O45 |
1933332 | Cc1cc(Sc2nnc(NCc3ccco3)s2)nnc1C | [C][C][=C][C][Branch2][Ring1][Ring2][S][C][=N][N][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][N][=N][N][=C][Ring2][Ring1][Ring1][C] | Cc1cc7nnc1C.c18nnc5s1.c16ccco1.S78.N45.C46 |
1933333 | CCC1CN(c2nc(C)nc(OC)c2C)CCO1 | [C][C][C][C][N][Branch1][P][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][C][C][O][Ring1][S] | c14nc(C)nc3c1C.C15CN4CCO1.CC5.O3C |
1933334 | Cc1noc(C)c1CN(C)c1cc(Br)ccn1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][C][=N][Ring1][#Branch1] | Cc1noc(C)c14.c13cc(Br)ccn1.N23C.C24 |
1933335 | c1cc(-c2nc(N3CCC(OC4CCOCC4)CC3)no2)co1 | [C][=C][C][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][=N][O][Ring2][Ring1][C][=C][O][Ring2][Ring1][#Branch1] | N17CCC5CC1.c18nc7no1.C16CCOCC1.c1cc8co1.O56 |
1933336 | CN1CCN(S(=O)(=O)c2ccc3ncsc3c2)c2cnccc21 | [C][N][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1ccc2ncsc2c1.CN1CCN4c2cnccc21 |
1933337 | CC(C)CN(C1CCCc2cccnc21)S(=O)(=O)N(C)C | [C][C][Branch1][C][C][C][N][Branch1][#C][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | N3(C1CCCc2cccnc21)S(=O)(=O)N(C)C.CC(C)C3 |
1933338 | Cc1ccc(S(=O)(=O)CC(C)NC(=O)NC2C=CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S(=O)(=O)CC5C)cc1.C16C=CCCC1.C34=O.N35.N46 |
1933339 | Cc1ccc(F)c(N2CCC(NC(=O)c3csnc3C)CC2)c1 | [C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][C][C][Ring1][#C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(F)c5c1.N15CCC6CC1.c17csnc1C.C47=O.N46 |
1933340 | Cc1cncc(C(=O)N2CCOCC2c2nc(C)no2)c1 | [C][C][=C][N][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cncc4c1.N13CCOCC15.c15nc(C)no1.C34=O |
1933341 | Cc1noc(C2COCCN2C(=O)c2oc(C)cc2C)n1 | [C][C][=N][O][C][Branch2][Ring1][Branch2][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][=N][Ring2][Ring1][Ring2] | C15COCCN13.c14oc(C)cc1C.Cc1noc5n1.C34=O |
1933342 | Cc1ccccc1NC(=O)c1c[nH]n(-c2ccc(F)cc2)c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N][=O] | Cc1ccccc14.c15c[nH]n6c1=O.c16ccc(F)cc1.C35=O.N34 |
1933343 | Cc1cc(F)cc(C(=O)NCCC(=O)NCc2ccccn2)c1 | [C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cc7cc(F)c1.c18ccccn1.C5CC4=O.C37=O.N35.N46.C68 |
1933344 | N#Cc1ccc(C(=O)NCCC(=O)NCc2ccccn2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | N#Cc1ccc7cc1.c18ccccn1.C5CC4=O.C37=O.N35.N46.C68 |
1933345 | O=C(CCNC(=O)c1ccc(F)c(F)c1F)NCc1ccccn1 | [O][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccc(F)c(F)c1F.c17ccccn1.O=C2CC4.C36=O.N34.N25.C57 |
1933346 | Cc1cc(F)ccc1C(=O)NCCC(=O)NCc1ccccn1 | [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cc(F)ccc16.c17ccccn1.C4CC3=O.C26=O.N24.N35.C57 |
1933347 | O=C(CCNC(=O)c1cccc2c1CCC2)NCc1ccccn1 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c17cccc2c1CCC2.c18ccccn1.O=C3CC5.C47=O.N45.N36.C68 |
1933348 | Cc1ccc(C(=O)NCCC(=O)NCc2ccccn2)c(F)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | Cc1ccc7c(F)c1.c18ccccn1.C5CC4=O.C37=O.N35.N46.C68 |
1933349 | COCCNC(=O)N(CC(C)C)C1CCCc2cccnc21 | [C][O][C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2] | N47C1CCCc2cccnc21.C7C(C)C.C5C6.C34=O.CO5.N36 |
1933350 | C#CCC(OC(=O)c1ccnc(N(C)C)c1)c1ccccn1 | [C][#C][C][C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccnc4c1.c16ccccn1.C#CCC36.C25=O.N4(C)C.O23 |
1933351 | Cc1csc2nc(C=Cc3cncs3)[nH]c(=O)c12 | [C][C][=C][S][C][N][=C][Branch1][#Branch2][C][=C][C][=C][N][=C][S][Ring1][Branch1][NH1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=C] | Cc1csc2nc(C=4)[nH]c(=O)c12.C=4c1cncs1 |
1933352 | O=C(OCc1cncs1)c1ccc(N2CCCC2)nc1 | [O][=C][Branch1][#Branch2][O][C][C][=C][N][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][O] | c16ccc5nc1.c17cncs1.N15CCCC1.O=C36.O34.C47 |
1933353 | CC(C)COC1CCN(C(=O)Nc2ccnn2C(C)(C)C)C1 | [C][C][Branch1][C][C][C][O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P] | C16CCN3C1.c17ccnn18.CC(C)C5.C8(C)(C)C.C34=O.O56.N47 |
1933355 | Cc1cccc(NCc2nc(C3CC3)n[nH]2)c1C(=O)N1CCCC1 | [C][C][=C][C][=C][C][Branch1][P][N][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][=C][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cc1cccc6c17.c18nc9n[nH]1.N14CCCC1.C19CC1.C47=O.N56.C58 |
1933357 | Cc1nc(C#N)c(C#N)n1Cc1csc(-c2ccccn2)n1 | [C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][N][Ring1][=Branch2][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O] | Cc1nc(C#N)c(C#N)n13.c14csc5n1.c15ccccn1.C34 |
1933359 | Cc1ccc(-c2ncc(CN3CCCC(O)c4ccccc43)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][S][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1] | N15CCCC(O)c2ccccc21.Cc1ccc7o1.c17ncc6s1.C56 |
1933360 | COC(=O)c1cc(CN2CC(C)Oc3ccc(Cl)cc32)c[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][=C][NH1][Ring2][Ring1][C] | N15CC(C)Oc2ccc(Cl)cc21.c16cc7c[nH]1.C46=O.CO4.C57 |
1933361 | CCNC(=O)c1cc(NCc2cccc(OC)c2)nc2ccccc12 | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c18cc7nc2ccccc12.c19cccc4c1.C38=O.CC5.N35.N67.C69.O4C |
1933362 | CC(C)C1OCCC1CNc1ncnc2[nH]ncc12 | [C][C][Branch1][C][C][C][O][C][C][C][Ring1][Branch1][C][N][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1] | c14ncnc2[nH]ncc12.C15OCCC16.CC5C.C36.N34 |
1933363 | CC(C)(C)C1OCCC1CNC(=O)Nc1ccncc1 | [C][C][Branch1][C][C][Branch1][C][C][C][O][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | C16OCCC17.c15ccncc1.CC6(C)C.C23=O.C47.N24.N35 |
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