ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
23255 | O=C1NCCCc2nc(Nc3ccccc3)sc21 | [O][=C][N][C][C][C][C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][N][Ring1][P] | O=C1NCCCc2nc4sc21.c15ccccc1.N45 |
23256 | Cc1cccnc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15cnc2c1c(=O)n(C)c(=O)n2C.Cc1cccnc14.C3(=O)C5.N34 |
23257 | CC(C)(C)C(=O)Nc1nnc(COc2ccccc2)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | CC(C)(C)C3=O.c16nnc7s1.c15ccccc1.N36.C47.O45 |
23258 | CCCC(=O)Nc1nnc(COc2ccccc2)s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | c16nnc7s1.c15ccccc1.CCCC3=O.N36.C47.O45 |
23259 | COC(=O)c1cccc(Nc2cc(=O)n(C)c(=O)n2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring1][P] | c14cc(=O)n(C)c(=O)n1C.c16cccc5c1.C36=O.CO3.N45 |
23261 | Nc1cc(N)nc(SCc2cccc(F)c2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][S] | Nc1cc(N)nc5n1.c14cccc(F)c1.S35.C34 |
23262 | CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | c15ccc6cc1.c16nc7no1.c17cccnc1.CC4.O45 |
23264 | CCOC(=O)c1c(OC(C)=O)c2ccccc2n(CC)c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring1][C][C][C][Ring1][S][=O] | c17c6c2ccccc2n8c1=O.C37=O.C4(C)=O.CC5.O35.O46.C8C |
23265 | COc1ccccc1OCC(=O)Nc1cc(C)ccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1] | c14ccccc15.c16cc(C)ccn1.C3C2=O.CO4.O35.N26 |
23266 | COc1cccc(-c2ccc3c(n2)sc2c(=O)[nH]c(=O)[nH]c23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][S][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][Branch2][Ring1][N][=C][Ring2][Ring1][Branch1] | c15ccc2c(n1)sc1c(=O)[nH]c(=O)[nH]c12.c14cccc5c1.CO4 |
23267 | CCN1CCc2nc3sc4c(=O)[nH]c(=O)[nH]c4c3cc2C1 | [C][C][N][C][C][C][=N][C][S][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1] | N15CCc2nc3sc4c(=O)[nH]c(=O)[nH]c4c3cc2C1.CC5 |
23268 | O=c1[nH]c(=O)c2sc3nc4c(cc3c2[nH]1)CCC4 | [O][=C][NH1][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][NH1][Ring1][=C][C][C][C][Ring1][=Branch2] | O=c1[nH]c(=O)c2sc3nc4c(cc3c2[nH]1)CCC4 |
23269 | N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring2][N][=C][Ring1][=Branch1][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][C][Ring2][Ring1][C] | N#Cc1cc2c(nc16)CCC2.c15nc2ccccc2[nH]1.S46.C45 |
23270 | Nc1ncc2c(n1)CC(c1cccc(Cl)c1)CC2=O | [N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=C][=O] | Nc1ncc2c(n1)CC3CC2=O.c13cccc(Cl)c1 |
23271 | CC(=O)Nc1ncc2c(n1)CC(c1cccc(Cl)c1)CC2=O | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=C][=O] | c14ncc2c(n1)CC5CC2=O.c15cccc(Cl)c1.CC3=O.N34 |
23272 | CC(=O)Nc1ncc2c(n1)CC(c1ccccc1Cl)CC2=O | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C][=O] | c14ncc2c(n1)CC5CC2=O.c15ccccc1Cl.CC3=O.N34 |
23273 | CCc1c(C)[nH]c2cc(-c3cccc(F)c3)nn2c1=O | [C][C][C][=C][Branch1][C][C][NH1][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][Ring1][N][C][Ring1][P][=O] | c14c(C)[nH]c2cc5nn2c1=O.c15cccc(F)c1.CC4 |
23274 | Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)c1 | [C][C][=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][=N][C][=C][S][Ring1][Branch1][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | Cc1cccc8c1.c17cccc9c1.c16nccs1.C48=O.C59=O.N47.N56 |
23275 | COC(=O)c1cc(C(=O)NC(C)c2ccccc2)c(=O)[nH]c1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][C][C] | c16cc7c(=O)[nH]c1C.c18ccccc1.C36=O.C47=O.C58C.CO3.N45 |
23276 | CCN(CC)c1cc(C)nc(N2CCOCC2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N] | c15cc(C)nc6n1.N16CCOCC1.N345.CC3.C4C |
23277 | O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | O=S3(=O)c1ccc(F)cc1.N13CCN4CC1.c14ncccn1 |
23278 | COc1ccc(C)cc1NC(=O)Cn1nnc(-c2ccncc2)n1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O] | c14ccc(C)cc15.n16nnc7n1.c17ccncc1.C3(=O)C6.CO4.N35 |
23279 | O=C(Cn1nnc(-c2ccncc2)n1)Nc1cccc(F)c1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14cccc(F)c1.n15nnc6n1.c16ccncc1.O=C3C5.N34 |
23280 | CS(=O)(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(C)(=O)=O)cc2s1.CS3(=O)=O.N34 |
23281 | O=S(=O)(Cc1ccccc1)Nc1nnc(C(F)(F)F)s1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c15ccccc1.c13nnc4s1.O=S2(=O)C5.C4(F)(F)F.N23 |
23283 | COc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring1][=Branch2][N][Branch1][C][C][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c16nc2c(=O)n(C)c(=O)nc-2n(C)n1.c14ccc6cc15.CO4.O5C |
23284 | CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][Ring1][P] | c19ccccc16.n18nnc9n1.CC5(C)C.C3(=O)C8.C47=O.C17CC1.N35.N46 |
23285 | Cc1ccc(-c2nnn(CC(=O)NC3CC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][=Ring1][N][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.c17nnn6n1.C6C4=O.C15CC1.N45 |
23286 | Cc1ccc(-c2nnn(CC(=O)NC3CC4CCC3C4)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.C16CC2CCC1C2.c18nnn7n1.C7C5=O.N56 |
23287 | Cc1ccc(-c2nnn(CC(=O)NCCC(C)C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.c16nnn5n1.C4CC(C)C.C5C3=O.N34 |
23288 | Cc1ccc(-c2nnn(CC(=O)NCC3COCCO3)n2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][O][C][C][O][Ring1][=Branch1][N][=Ring1][S][O][Ring2][Ring1][Branch1] | Cc1ccc8o1.c18nnn6n1.C17COCCO1.C6C4=O.N45.C57 |
23289 | Cc1ccc(-c2nnn(CC(=O)NC(C)C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][=Ring1][N][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c16nnn5n1.C5C3=O.C4(C)C.N34 |
23290 | Cc1ccc(-c2nnn(CC(=O)NC3CCC(C)CC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.C15CCC(C)CC1.c17nnn6n1.C6C4=O.N45 |
23291 | Cc1ccc(-c2nnn(CC(=O)NCCC3=CCCCC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] | C5CC1=CCCCC1.Cc1ccc7cc1.c17nnn6n1.C6C4=O.N45 |
23292 | Cc1cc(NC(=O)CCCC(=O)Nc2ccc(F)cc2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][Branch1] | C3(=O)CCCC4=O.c16ccc(F)cc1.Cc1cc5no1.N35.N46 |
23293 | O=C(CC1CC2CCC1C2)Nc1nnc(-c2cccnc2)s1 | [O][=C][Branch1][=N][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | C15CC2CCC1C2.c14nnc6s1.c16cccnc1.O=C3C5.N34 |
23294 | COC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccccc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C] | c19c6sc8c1C.c17ccccc1.C39=O.C4(C)=O.C58=O.CO3.N46.N57 |
23295 | CCOC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2] | c19ccc2ccccc2c1.N15CCN6CC1.C6(=O)C8.C45=O.CC7.O47.O89 |
23296 | CCOc1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C | [C][C][O][C][=N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][S][C][N][Ring2][Ring1][Ring2][C] | c15nc2c(c(=O)n6c(=O)n2C)n1C.c17ccc(F)cc1.CC4.O45.C67 |
23298 | CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F | [C][C][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.c16ccccc1F.CC3.O34.C56 |
23299 | Cn1c(=O)c2c(nc(NCc3ccco3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | Cn1c(=O)c2c(nc5n2C)n(C)c1=O.c16ccco1.N45.C46 |
23301 | CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 | [C][C][Branch1][C][O][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.c16ccccc1.CC(O)C3.N34.C56 |
23303 | CC(=O)c1cccc(NC(=O)CSc2ncccn2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P] | c16cccc5c1.c17ncccn1.C3(=O)C4.CC6=O.N35.S47 |
23304 | N#CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 | [N][#C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S3(=O)(=O)c1ccc(Cl)cc1.c15ccc4cc1.N#CC5.N34 |
23305 | C#CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 | [C][#C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.C#CC2(C)C.N23 |
23306 | Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(F)cc1.Cc1ccccc14.C24.N23 |
23307 | CC(C)C(NS(=O)(=O)c1ccc(F)cc1)C(C)C | [C][C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] | S3(=O)(=O)c1ccc(F)cc1.CC(C)C2C(C)C.N23 |
23310 | COc1ccc(S(=O)(=O)NCc2ccco2)cc1Br | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][Br] | c13ccc(S5(=O)=O)cc1Br.c16ccco1.CO3.N45.C46 |
23311 | Cc1ccccc1CNS(=O)(=O)c1cccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S3(=O)(=O)c1cccs1.Cc1ccccc14.C24.N23 |
23313 | COc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c19ccc2c(c1)OCO2.c15ccc8cc16.C8C4=O.CO5.N47.C79.O6C |
23314 | NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | C14CCN3CC1.c15ccccc1.C3(=O)CC5.NC4=O |
23315 | C=CCN(CC=C)C(=O)CSc1nc(C)cc(N)n1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][N][=N][Ring1][Branch2] | c16nc(C)cc(N)n1.C2(=O)C5.C=CC3.N234.C4C=C.S56 |
23316 | Cc1cc(N)nc(SCC(=O)NCCc2ccccc2)n1 | [C][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc(N)nc7n1.c16ccccc1.C5C3=O.C4C6.S57.N34 |
23318 | Cc1cccc2c3c4n(c12)CC1COC4(CCC3)O1 | [C][C][=C][C][=C][C][C][=C][N][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][O][C][Ring1][Branch2][Branch1][=Branch1][C][C][C][Ring1][N][O][Ring1][Branch2] | Cc1cccc2c3c4n(c12)CC1COC4(CCC3)O1 |
23319 | CC(C)c1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.N13CCCCC1.C4C3=O.S5(C)(=O)=O.CC7C.N456 |
23320 | COc1ccc(C)cc1N(CC(=O)N1CCOCC1)S(C)(=O)=O | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccc(C)cc16.N12CCOCC1.C4C2=O.S5(C)(=O)=O.N456.CO3 |
23321 | CC(C)C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][#C] | c16cn2ccccc2n1.c15cccc6c1.CC(C)C4=O.N45 |
23323 | CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.C16CCCCC1.CS4(=O)=O.C3C2=O.N345.N26 |
23324 | CC(C)c1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | S4(=O)(=O)c1ccccc1.c16ccc5cc1.C3C(N)=O.CC6C.N345 |
23325 | NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 | [N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c14ccccc1Cl.NC(=O)C2.N234 |
23327 | Cc1cccc(C)c1N(CC(=O)N1CCOCC1)S(C)(=O)=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cccc(C)c15.N12CCOCC1.C3C2=O.S4(C)(=O)=O.N345 |
23328 | CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | S5(=O)(=O)c1ccc3cc1.c16ccccc1.C2(=O)C4.N456.CN2.O3C |
23329 | CCOc1ccccc1N(CC(N)=O)S(C)(=O)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc16.C4C(N)=O.S5(C)(=O)=O.N456.CC2.O23 |
23330 | COc1ccc(N(CC(N)=O)S(C)(=O)=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][Ring1][O][C][=C][Ring1][P] | c12ccc6c3c1.C4C(N)=O.S5(C)(=O)=O.N456.CO2.O3C |
23331 | O=C(CSc1ccccc1)NCc1ccccc1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c15ccccc1.O=C2C4.S46.N23.C35 |
23332 | Cc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1ccc6cc1Cl.N13CCCC1.C4C3=O.S5(C)(=O)=O.N456 |
23333 | Cc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1ccc6cc1Cl.N13CCOCC1.C4C3=O.S5(C)(=O)=O.N456 |
23334 | COC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16cc(Cl)ccc13.C2(=O)C4.S5(C)(=O)=O.N456.CO2.O3C |
23335 | Cc1ccc(C)c(N(CC(N)=O)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][S] | Cc1ccc(C)c4c1.C2C(N)=O.S3(C)(=O)=O.N234 |
23336 | CNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc(Cl)ccc1C.C2(=O)C3.S4(C)(=O)=O.N345.CN2 |
23337 | Cc1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.c17ccccc1F.C3(=O)C4.S5(C)(=O)=O.N457.N36 |
23338 | Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.c16ccc(F)cc1.C2(=O)C3.S4(C)(=O)=O.N346.N25 |
23340 | Cc1ccc(C)c(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c6c1.C17CCCC1.C4C3=O.S5(C)(=O)=O.N456.N37 |
23341 | CS(=O)(=O)N(CC(N)=O)c1ccc(Oc2ccccc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | c17ccc3cc1.c14ccccc1.CS6(=O)=O.C5C(N)=O.N567.O34 |
23342 | CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | S3(=O)(=O)c1ccc2c(c1)OCCO2.c15ccccc14.CC5.N34 |
23343 | Cc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6c(C)c1.N13CCCCC1.C4C3=O.S5(C)(=O)=O.N456 |
23344 | CNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | c18ccc4cc1.c15ccccc1.C3(=O)C6.S7(C)(=O)=O.N678.CN3.O45 |
23345 | CCc1ccccc1N(CC(=O)N1CCOCC1)S(C)(=O)=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.N12CCOCC1.C3C2=O.S4(C)(=O)=O.N345.CC6 |
23346 | CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccccc1C.C2(=O)C3.N345.CN2 |
23348 | CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(F)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.c17ccccc1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
23349 | COc1ccc(NC(=O)CSc2ccccc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14ccc7c5c1.c18ccccc1.C3(=O)C6.CO4.N37.S68.O5C |
23350 | CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1 | [C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S2(=O)(=O)c1ccccc1.c13ccc4cc1.CN23.C4(N)=O |
23351 | CCOc1ccccc1N(CC(=O)NC1CCCC1)S(C)(=O)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc17.C18CCCC1.C5C2=O.S6(C)(=O)=O.N567.CC3.O34.N28 |
23352 | COc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c14ccc7cc1.C5(C)C3=O.N13CCCC1.S6(C)(=O)=O.N567.CO4 |
23353 | COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccccc1F.C2(=O)C3.N345.CO2 |
23354 | CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc6c1.C2(=O)C3.C6(F)(F)F.S4(C)(=O)=O.N345.CN2 |
23355 | Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc2c(c1)OCCO2.Cc1cc5cc(C)c1.N45 |
23356 | Cc1ccc(C)c(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c6c1.N13CCCC1.C4C3=O.S5(C)(=O)=O.N456 |
23357 | COC(=O)CN(c1ccccc1Br)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1Br.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23358 | COC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(Br)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23359 | Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | S3(=O)(=O)c1ccc2c(c1)OCCO2.Cc1cccc(C)c14.N34 |
23360 | COc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.N13CCCC1.C5C3=O.S6(C)(=O)=O.N567.CO4 |
23361 | CCOc1ccccc1N(CC(=O)OC)S(C)(=O)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc17.C5C2=O.S6(C)(=O)=O.N567.CC3.O34.O2C |
23362 | COC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16cc(C)ccc13.C2(=O)C4.S5(C)(=O)=O.N456.CO2.O3C |
23363 | COc1ccc(NC(=O)C2COc3ccccc3O2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | C18COc2ccccc2O1.c15ccc7cc16.C48=O.CO5.N47.O6C |
23364 | CS(=O)(=O)N(CC(N)=O)c1cccc2ccccc12 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.CS4(=O)=O.C3C(N)=O.N345 |
23365 | CS(=O)(=O)N(CC(=O)N1CCCCC1)c1cccc(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.N12CCCCC1.CS4(=O)=O.C3C2=O.N345 |
23366 | COc1ccc(Cl)cc1N(CC(=O)N1CCCC1)S(C)(=O)=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccc(Cl)cc16.N12CCCC1.C4C2=O.S5(C)(=O)=O.N456.CO3 |
23367 | CCc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccccc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c15ccccc14.C2C(N)=O.N234.CC5 |
23368 | COc1ccc(N(CC(N)=O)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#C] | c12ccc5cc1.C3C(N)=O.S4(C)(=O)=O.N345.CO2 |
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