ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1925252 | CNC(=O)Cn1cnc(NC(=O)c2cc3c(s2)CCC(C)(C)C3)n1 | [C][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c17cc2c(s1)CCC(C)(C)C2.n18cnc6n1.C4(=O)C8.C57=O.CN4.N56 |
1925253 | CS(=O)(=O)N1CCCC(Cn2c(-c3cccs3)noc2=O)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][C][Ring1][#Branch2][=O][C][Ring2][Ring1][C] | N14CCCC6C1.n15c7noc1=O.c17cccs1.CS4(=O)=O.C56 |
1925254 | CC(O)(CN1CCN(C(=O)c2ccccc2O)CC1)c1ccccc1 | [C][C][Branch1][C][O][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N14CCN3CC1.c15ccccc1O.c16ccccc1.CC6(O)C4.C35=O |
1925255 | COc1ccccc1NC(=O)NC(CO)Cc1ccc(O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccccc16.c17ccc(O)cc1.C5(C7)CO.C23=O.CO4.N26.N35 |
1925256 | N#Cc1nc(NCC(O)COc2cccc(F)c2)ccc1Cl | [N][#C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring1][Cl] | N#Cc1nc6ccc1Cl.c14cccc(F)c1.C5C(O)C3.N56.O34 |
1925257 | CN(c1cc(C(N)=O)c2ccccc2n1)C1C2CCOC2C1(C)C | [C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][Branch1][C][C][C] | c13cc5c2ccccc2n1.C14C2CCOC2C1(C)C.CN34.C5(N)=O |
1925258 | CCC(Oc1cccc(C)c1)C(=O)Nc1cnc2onc(C)c2c1 | [C][C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][O][N][=C][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16cnc2onc(C)c2c1.c15cccc(C)c1.CCC4C3=O.O45.N36 |
1925260 | Nc1nccnc1C(=O)Nc1cc(CCc2ccccc2)ccn1 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][=C] | Nc1nccnc15.c14cc6ccn1.c17ccccc1.C35=O.C6C7.N34 |
1925261 | C#Cc1cccc(N(Cc2ccco2)C(=O)NCCC(C)O)c1 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][O][=C][Ring2][Ring1][Branch1] | C#Cc1cccc7c1.c18ccco1.C6CC(C)O.N357.C34=O.C58.N46 |
1925262 | O=C1CCC(CNC(=O)N(Cc2cccs2)c2ccccn2)N1 | [O][=C][C][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring2][Ring1][=Branch1] | O=C1CCC8N1.c17ccccn1.c19cccs1.C34=O.N467.C58.N35.C69 |
1925263 | NC(=O)N1CC(OCc2cccc3ccccc23)C1 | [N][C][=Branch1][C][=O][N][C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][S] | c17cccc2ccccc12.N14CC6C1.NC4=O.O56.C57 |
1925264 | CC(=O)N1CCCC1C(=O)N1CCN(Cc2cc(C)on2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=N] | N14CCN5CC1.N13CCCC16.c17cc(C)on1.CC3=O.C46=O.C57 |
1925265 | NC(=O)Nc1cccc(C(=O)N(CC2CC2)c2ccccc2)c1 | [N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c16cccc8c1.c17ccccc1.NC3=O.C48=O.N457.C19CC1.N36.C59 |
1925266 | O=C(NCc1cc[nH]n1)NC1CCCOc2c1ccc1ccccc21 | [O][=C][Branch1][#Branch2][N][C][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][C][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | N4C1CCCOc2c1ccc1ccccc21.c16cc[nH]n1.O=C34.N35.C56 |
1925267 | Cc1cc(C(=O)NCC2(C)CCOCC2)c2cnn(C(C)C)c2n1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][O][C][C][Ring1][#Branch1][=C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1] | Cc1cc5c2cnn6c2n1.C17(C)CCOCC1.C35=O.C6(C)C.N34.C47 |
1925269 | CC(C)c1nc(CNc2cc(-n3cnnn3)ccc2F)cs1 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][C][=C][Ring1][O][F][=C][S][Ring2][Ring1][Ring1] | c15cc8ccc1F.c16nc7cs1.n18cnnn1.CC6C.C47.N45 |
1925270 | C#CCN(C(=O)CCSc1ccccn1)c1nccs1 | [C][#C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][S][Ring1][Branch1] | c16ccccn1.C2(=O)CC4.c15nccs1.C#CC3.N235.S46 |
1925271 | Cc1oc(C(=O)N(C)C(C)Cc2cccs2)cc1S(N)(=O)=O | [C][C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O] | Cc1oc5cc1S(N)(=O)=O.c16cccs1.C4(C)C6.C35=O.N34C |
1925272 | O=C(NCCCC(=O)N1CCc2ccccc2C1)NC1C=CCCC1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][C][C][=C][C][C][C][Ring1][=Branch1] | N15CCc2ccccc2C1.C6CCC5=O.C17C=CCCC1.O=C34.N36.N47 |
1925273 | COC(=O)c1ccc(Cn2ccnc2-c2ccccn2)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][P] | c14ccc6s1.n15ccnc17.c17ccccn1.C34=O.CO3.C56 |
1925274 | O=C(NCCn1c(-c2cnccn2)noc1=O)C1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][O][C][Ring1][O][=O][C][C][C][C][C][Ring1][Branch1] | n16c7noc1=O.c17cnccn1.C15CCCC1.O=C35.C4C6.N34 |
1925275 | CC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc2nnnn2c1 | [C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][C][=Ring1][=Branch2] | c16ccc2nnnn2c1.C5C(F)(F)F.CC47.C17CC1.N345.C36=O |
1925276 | CC1(OC(=O)CCCNC(=O)C2CC2)CCCC1 | [C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][P] | CC15CCCC1.C3(=O)CCC6.C47=O.C17CC1.O35.N46 |
1925278 | CCC(C)NC(=O)NCc1ccc(C)cc1OC1CCOC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][C][C][O][C][Ring1][Branch1] | c18ccc(C)cc15.C14CCOC1.CCC6C.C23=O.N26.N37.C78.O45 |
1925279 | Cc1cc(CC(=O)N2CCOCC2CC(=O)c2ccccc2)no1 | [C][C][=C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][#Branch1] | N13CCOCC15.Cc1cc6no1.c14ccccc1.C6C3=O.C5C4=O |
1925280 | O=C(CC1COCCN1C(=O)CCc1nc[nH]n1)c1ccccc1 | [O][=C][Branch2][Ring1][#Branch1][C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][N][=C][NH1][N][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C14COCCN12.c13ccccc1.C2(=O)CC5.c15nc[nH]n1.O=C3C4 |
1925282 | CCCn1nnnc1CN1CCCC1CC(=O)c1ccccc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14nnnc16.N12CCCC15.c13ccccc1.C5C3=O.CCC4.C26 |
1925283 | CC(CNC(=O)N1CC2CC=CCC2C1)CC1(C)OCCO1 | [C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1] | N14CC2CC=CCC2C1.C16(C)OCCO1.CC(C5)C6.C34=O.N35 |
1925284 | CC1CCN(C)c2ccccc2N1S(=O)(=O)c1cccnc1 | [C][C][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | CC1CCN(C)c2ccccc2N13.S3(=O)(=O)c1cccnc1 |
1925285 | CCOC(=O)c1nnc(NC(=O)c2cccc(OC(F)F)c2)s1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][S][Ring2][Ring1][C] | c19cccc6c1.c18nnc7s1.O6C(F)F.C38=O.C49=O.CC5.O35.N47 |
1925286 | Cc1ccc2c(Cn3nnnc3C)cc(=O)oc2c1C | [C][C][=C][C][=C][C][Branch1][#Branch2][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=Branch1][C][=O][O][C][Ring1][=C][=C][Ring2][Ring1][C][C] | Cc1ccc2c5cc(=O)oc2c1C.n14nnnc1C.C45 |
1925287 | Cc1ccc2c(Cn3nnnc3C)cc(=O)oc2c1 | [C][C][=C][C][=C][C][Branch1][#Branch2][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=Branch1][C][=O][O][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2c5cc(=O)oc2c1.n14nnnc1C.C45 |
1925288 | CCc1ccc2c(Cn3nnnc3C)cc(=O)oc2c1 | [C][C][C][=C][C][=C][C][Branch1][#Branch2][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=Branch1][C][=O][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2c6cc(=O)oc2c1.n14nnnc1C.CC5.C46 |
1925290 | O=C(OCc1ccc(-n2cccn2)cc1)c1cncc(F)c1 | [O][=C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16ccc7cc1.c15cncc(F)c1.n17cccn1.O=C35.O34.C46 |
1925291 | CC(CC(O)c1ccco1)NC(=O)NCCC1CCC1 | [C][C][Branch1][=N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][Ring2] | CC4CC6O.c16ccco1.C17CCC1.C23=O.C5C7.N24.N35 |
1925292 | O=C(NC1CC2CCC1O2)N1CCC2(CCCCC2)C1 | [O][=C][Branch1][=N][N][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2] | N14CCC2(CCCCC2)C1.C15CC2CCC1O2.O=C34.N35 |
1925293 | C#CCN(CC#C)Cc1cc(Br)cc2cccnc12 | [C][#C][C][N][Branch1][Ring2][C][C][#C][C][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c16cc(Br)cc2cccnc12.C#CC3.N345.C4C#C.C56 |
1925294 | COC(=O)C1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CC(C)O1 | [C][O][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][Ring1] | C128CC3CC(CC(C3)C1)C2.C17CN6CC(C)O1.C57=O.C68=O.CO5 |
1925295 | CC1CN(C(=O)Nc2cccc3[nH]ccc23)CC(c2ccsc2)O1 | [C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][O][Ring2][Ring1][#Branch1] | c16cccc2[nH]ccc12.CC1CN4CC7O1.c17ccsc1.C45=O.N56 |
1925296 | Cc1noc(C)c1N(C)C(=O)NCc1ccc(C(=O)NC2CC2)cc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N] | Cc1noc(C)c17.c1%10ccc9cc1.N37C.C34=O.C59=O.C18CC1.N46.C6%10.N58 |
1925297 | COc1cc(C)c(C(C)NC(=O)c2[nH]c(C)cc2C)cc1OC | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc(C)c8cc15.c17[nH]c(C)cc1C.C68C.C37=O.CO4.N36.O5C |
1925298 | Cc1cc(C(=O)Cn2nnnc2C)c(Cl)cc1F | [C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][Branch1][C][Cl][C][=C][Ring1][S][F] | Cc1cc3c(Cl)cc1F.n14nnnc1C.C3(=O)C4 |
1925299 | O=S(=O)(CCC1CCCO1)N1CC=C(c2ccccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CC=C(c2ccccc2)CC1.O=S3(=O)CC4.C14CCCO1 |
1925300 | CC(OC1CCCCCC1)C(=O)N(C)Cc1ncnn1C | [C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=N][N][Ring1][Branch1][C] | C14CCCCCC1.c16ncnn1C.CC3C2=O.N25C.O34.C56 |
1925301 | COc1ccsc1S(=O)(=O)NCCNc1ccccc1 | [C][O][C][C][=C][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccsc1S5(=O)=O.c16ccccc1.C3C4.CO2.N35.N46 |
1925302 | CC(NC(=O)N1CCOC(c2cccs2)C1)c1nnc2n1CCC2 | [C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][O][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1] | c16nnc2n1CCC2.N14CCOC7C1.c17cccs1.CC56.C34=O.N35 |
1925303 | COc1ncc(Cl)c(NCCCc2nc(C(C)C)no2)n1 | [C][O][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][N][C][C][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2][=N][Ring2][Ring1][Ring1] | c13ncc(Cl)c5n1.c16nc7no1.C4CC6.C7(C)C.CO3.N45 |
1925306 | CCS(=O)(=O)c1ccc(CC(=O)OCc2cc(C)oc2C)cc1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][O][C][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | CCS(=O)(=O)c1ccc5cc1.c16cc(C)oc1C.C5C3=O.O34.C46 |
1925307 | CC(=O)NC1CCCN(C(=O)C[S+]([O-])c2cccc(F)c2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][C] | C4(=O)C[S+]([O-])c1cccc(F)c1.C15CCCN4C1.CC3=O.N35 |
1925308 | Cc1nc(C)n(Cc2cccc(NCC(=O)N(C)CC3CC3)c2)n1 | [C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][C][Branch1][P][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring1][=C][Ring1][S][N][=Ring2][Ring1][#Branch1] | Cc1nc(C)n8n1.c1%10cccc7c1.C5C4=O.N46C.C19CC1.C8%10.N57.C69 |
1925309 | O=C(NCCc1nc[nH]n1)Nc1ccc(Cl)c(Br)c1 | [O][=C][Branch1][O][N][C][C][C][N][=C][NH1][N][=Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Br][=C][Ring1][Branch2] | c15ccc(Cl)c(Br)c1.c16nc[nH]n1.O=C23.C4C6.N24.N35 |
1925311 | Cc1cnc(CNc2cccc(CS(=O)(=O)c3ccccc3)c2)o1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][N][C][=C][C][=C][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][O][Ring2][Ring1][#Branch1] | C7S(=O)(=O)c1ccccc1.c15cccc7c1.Cc1cnc6o1.C46.N45 |
1925312 | COc1cc(C(=O)NC(C)CCN2CCOCC2)ccc1F | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][F] | c14cc7ccc1F.N16CCOCC1.C5(C)CC6.C37=O.CO4.N35 |
1925313 | Cc1nc(CCNC(=O)Nc2cnc(C3CC3)nc2)sc1C | [C][C][N][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][S][C][=Ring2][Ring1][Ring2][C] | Cc1nc8sc1C.c17cnc9nc1.C8C6.C45=O.C19CC1.N46.N57 |
1925314 | O=C(NCC1CCCO1)N1CCC(C(O)C(F)(F)F)CC1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][C][C][C][Branch1][=N][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N] | N13CCC6CC1.C6(O)C(F)(F)F.C15CCCO1.O=C23.N24.C45 |
1925315 | COc1cccc(-c2cc(C(=O)N(C)Cc3ncnn3C)[nH]n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=N][N][Ring1][Branch1][C][NH1][N][=Ring1][S][=C][Ring2][Ring1][=Branch1] | c15cccc9c1.c19cc7[nH]n1.c18ncnn1C.C47=O.N46C.CO5.C68 |
1925316 | N#Cc1cccc(NCC(O)COc2ccccc2Br)n1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][Ring1] | N#Cc1cccc6n1.c14ccccc1Br.C5C(O)C3.N56.O34 |
1925317 | c1cc(NC2CCCc3cn[nH]c32)nc(C2CC2)n1 | [C][=C][C][Branch1][#C][N][C][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][Ring1][=Branch2][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Ring1] | N4C1CCCc2cn[nH]c21.c1cc4nc5n1.C15CC1 |
1925318 | CCC(NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1)c1nc(C)n[nH]1 | [C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][NH1][Ring1][=N][C][=N][C][Branch1][C][C][=N][NH1][Ring1][=Branch1] | c18ccc4cc1.c16cc8n[nH]1.c17nc(C)n[nH]1.CCC57.C36=O.N35.O4C |
1925319 | CC(NC(Cc1ccccc1)CN1CCOCC1)c1cnccn1 | [C][C][Branch2][Ring1][#Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1] | c16ccccc1.N14CCOCC1.c15cnccn1.C3(C4)C6.CC25.N23 |
1925320 | Cc1cc(NC(=O)N2CCOC3(CCCC3)C2)nnc1C | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][=N][N][=C][Ring2][Ring1][Ring1][C] | N15CCOC2(CCCC2)C1.Cc1cc6nnc1C.C45=O.N46 |
1925321 | CC(Cc1nc2ccccc2s1)NCc1ncnn1C | [C][C][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][C][=N][C][=N][N][Ring1][Branch1][C] | c15nc2ccccc2s1.c16ncnn1C.CC3C5.N34.C46 |
1925322 | COCC(NC(C)Cc1ccsc1)c1ccco1 | [C][O][C][C][Branch1][=C][N][C][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | c16ccsc1.c15ccco1.C2C35.C4(C)C6.CO2.N34 |
1925323 | COCC(NC(C)c1cnn(-c2ccccn2)c1C)c1ccco1 | [C][O][C][C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1] | c17cnn8c1C.c18ccccn1.c16ccco1.C3C46.C57C.CO3.N45 |
1925325 | COc1cc2ccc(N3CCC(C(=O)N(C)C)CC3)nc2cc1OC | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc2ccc7nc2cc16.N17CCC8CC1.C48=O.N4(C)C.CO5.O6C |
1925326 | CC(=O)N(c1nc(CNc2ccn(CC(F)F)n2)cs1)C1CC1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][=N][C][Branch2][Ring1][C][C][N][C][C][=C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][N][=Ring1][=Branch2][=C][S][Ring1][S][C][C][C][Ring1][Ring1] | c15nc9cs1.c16ccn8n1.C8C(F)F.CC3=O.N357.C17CC1.C49.N46 |
1925327 | Cc1nnnn1Cc1csc(-c2ccccn2)n1 | [C][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O] | Cc1nnnn13.c14csc5n1.c15ccccn1.C34 |
1925328 | CC1CCOC1C(=O)N1CCCSc2ccc(Cl)cc21 | [C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N] | N13CCCSc2ccc(Cl)cc21.CC1CCOC14.C34=O |
1925329 | NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(N)cc2)CC1 | [N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1] | C146CCN3CC1.c15ccc(N)cc1.c16ccccc1.NC4=O.C35=O |
1925330 | Cc1ccccc1Cc1nc(C[S+]([O-])c2cccc(F)c2)no1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][P][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][O][Ring1][#C] | C4[S+]([O-])c1cccc(F)c1.Cc1ccccc15.c13nc4no1.C35 |
1925331 | CCCN(CCO)c1ccc2cccc(Br)c2n1 | [C][C][C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][C][Br][C][Ring1][#Branch1][=N][Ring1][O] | c15ccc2cccc(Br)c2n1.CCC3.N345.C4CO |
1925332 | Cc1ccc(NCc2c[nH]nc2-c2cccs2)cc1C(=O)N(C)C | [C][C][=C][C][=C][Branch1][P][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1ccc5cc16.c17c[nH]nc18.c18cccs1.C36=O.N3(C)C.N45.C47 |
1925333 | Cc1nc(C(=O)OCCN2CC(C)OC(C)C2)c2n1CCCC2 | [C][C][=N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][N][Ring2][Ring1][C][C][C][C][C][Ring1][=Branch1] | Cc1nc6c2n1CCCC2.N15CC(C)OC(C)C1.C36=O.C4C5.O34 |
1925335 | NC(=O)CN(CCC1CCCCC1)c1ccc2nccnc2n1 | [N][C][=Branch1][C][=O][C][N][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2nccnc2n1.C16CCCCC1.NC(=O)C3.N345.C4C6 |
1925336 | COCCCN(Cc1ccncc1)c1ncc(C#N)cc1Cl | [C][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Cl] | c15ncc(C#N)cc1Cl.c16ccncc1.C2CC3.N345.CO2.C46 |
1925337 | CC(CO)NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc7nn16.c16ccccc1.c17ccco1.CC4CO.C35=O.N34 |
1925338 | Cc1ccc(-c2n[nH]cc2CN2CCSc3ccccc32)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][Ring2][Ring1][Branch1] | N14CCSc2ccccc21.Cc1ccc6o1.c16n[nH]cc15.C45 |
1925340 | Cc1cncc(NCc2c[nH]nc2-c2ccccc2)c1 | [C][C][=C][N][=C][C][Branch2][Ring1][C][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1cncc4c1.c15c[nH]nc16.c16ccccc1.N34.C35 |
1925341 | CC(C)COC1CCN(C(=O)c2cccc3[nH]cnc23)CC1 | [C][C][Branch1][C][C][C][O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][P] | c17cccc2[nH]cnc12.C16CCN4CC1.CC(C)C5.C47=O.O56 |
1925342 | CC(NC(=O)c1cccc2[nH]cnc12)c1ccc(-n2cncn2)cc1 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O] | c15cccc2[nH]cnc12.c16ccc7cc1.n17cncn1.CC46.C35=O.N34 |
1925343 | CC(C)OC(=O)COC(=O)c1ccc2ccccc2n1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c17ccc2ccccc2n1.C3(=O)C6.CC5C.C47=O.O35.O46 |
1925344 | CN(C1CCN(c2ccc3nccn3n2)CC1)S(C)(=O)=O | [C][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][N][=Ring1][=Branch2][C][C][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc2nccn2n1.C16CCN5CC1.S4(C)(=O)=O.CN46 |
1925346 | Cc1ocnc1C(=O)OCc1ccn(-c2c(F)cccc2F)n1 | [C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][=C][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=Ring1][=N] | c17c(F)cccc1F.Cc1ocnc15.c16ccn7n1.C35=O.O34.C46 |
1925347 | Cc1cc(OCc2nc(C(F)(F)F)cs2)nnc1C | [C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=N][N][=C][Ring1][P][C] | Cc1cc4nnc1C.c15nc6cs1.C6(F)(F)F.O34.C35 |
1925348 | O=C(c1cc(-c2ccc(Cl)c(Cl)c2)ns1)N1CCC(O)C1 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][S][Ring1][=N][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1] | c15ccc(Cl)c(Cl)c1.c14cc5ns1.N13CCC(O)C1.O=C34 |
1925349 | Cn1cccc1C(=O)N1CCC(S(=O)(=O)NC2CC2)C1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N] | N13CCC(S4(=O)=O)C1.Cn1cccc16.C36=O.C15CC1.N45 |
1925350 | COc1ccc(OC)c(C(O)CNc2ncnc3nccnc23)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][N][C][=N][C][=N][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c17ncnc2nccnc12.c14ccc5c8c1.C8(O)C6.CO4.O5C.N67 |
1925351 | c1ccc(-c2nc(CCNc3ncnc4ncccc34)co2)cc1 | [C][=C][C][=C][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][C][C][C][N][C][=N][C][=N][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c16ncnc2ncccc12.c1ccc8cc1.c18nc7co1.C7C5.N56 |
1925352 | CC(O)CC1CCCN1C(=O)NC(c1nc2ccccc2[nH]1)C(C)C | [C][C][Branch1][C][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Branch1][C][C][C] | c17nc2ccccc2[nH]1.C16CCCN13.C57C(C)C.CC(O)C6.C34=O.N45 |
1925353 | Cc1ncsc1C(=O)NCCNC(=O)N1CCC(C)CC(C)C1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][=Branch2] | N14CCC(C)CC(C)C1.Cc1ncsc17.C27=O.C5C6.C34=O.N25.N36 |
1925355 | CN(CCc1nccs1)Cc1nc(N)nc(N(C)C)n1 | [C][N][Branch1][#Branch2][C][C][C][=N][C][=C][S][Ring1][Branch1][C][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2] | c16nc4nc(N)n1.c15nccs1.CN23.C2C5.N4(C)C.C36 |
1925356 | NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NCCC2=CCCC2)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][C] | NS(=O)(=O)c1cc5c(F)c(Cl)c1.C4CC1=CCCC1.C35=O.N34 |
1925357 | CC(CO)NC(=O)c1ccc(NCC2CCC2)cc1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Ring2][C][=C][Ring1][N] | c17ccc6cc1.CC4CO.C18CCC1.C37=O.N34.N56.C58 |
1925358 | CCC(CO)NC(=O)c1ccc(NCC2CCC2)cc1 | [C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Ring2][C][=C][Ring1][N] | c17ccc6cc1.CCC4CO.C18CCC1.C37=O.N34.N56.C58 |
1925359 | c1ccc(C(CC2CCOC2)Nc2ncccn2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c1ccc6cc1.c14ncccn1.C15CCOC1.C36C5.N34 |
1925360 | OC(CNCc1cc(Cl)ccc1F)c1cccnc1 | [O][C][Branch1][S][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cc(Cl)ccc1F.c14cccnc1.OC4C2.N23.C35 |
1925361 | OC(CNCc1cc(C(F)(F)F)ccc1Cl)c1cccnc1 | [O][C][Branch2][Ring1][#Branch1][C][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cc6ccc1Cl.c14cccnc1.OC4C2.C6(F)(F)F.N23.C35 |
1925362 | Cc1cc(CN(CCO)c2ccc(Br)cc2)on1 | [C][C][C][=C][Branch2][Ring1][Ring1][C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][N][=Ring1][P] | c15ccc(Br)cc1.Cc1cc6on1.N345.C4CO.C36 |
1925363 | CCc1ncc(CN(C)S(=O)(=O)c2cn(C(C)C)cn2)s1 | [C][C][C][=N][C][=C][Branch2][Ring1][O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=N][Ring1][Branch2][S][Ring2][Ring1][Ring1] | S4(=O)(=O)c1cn5cn1.c16ncc7s1.N34C.C5(C)C.CC6.C37 |
1925364 | CCOC(=O)Cn1cccc(NC(=O)c2ccsc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=C][=O] | n18cccc6c1=O.c17ccsc1.C3(=O)C8.C47=O.CC5.O35.N46 |
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