ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
25207 | CCc1cccc(C)c1NC(=O)Nc1ccccc1OC | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c17cccc(C)c15.c16ccccc14.C23=O.CC7.N25.N36.O4C |
25208 | COC(=O)Nc1ccc(Cc2ccc(NC(=O)OC)cc2)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][=C][Ring1][O][C][=C][Ring2][Ring1][C] | c17ccc9cc1.c1%10ccc8cc1.C35=O.C46=O.CO3.N57.C9%10.N68.O4C |
25209 | COc1ccc(OC)c(NC(=O)Nc2ccc(NC(C)=O)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | c16ccc7c8c1.c19ccc%10cc1.C34=O.C5(C)=O.CO6.O7C.N38.N49.N5%10 |
25210 | CN(C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] | c15ccc(S4(=O)=O)cc1.CN2C.C23=O.N4(C)C.N35 |
25219 | Cc1cccc(NC(=O)Oc2cccc3ccc(C)nc23)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c16cccc2ccc(C)nc12.Cc1cccc7c1.C45=O.N57.O46 |
25224 | CC(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C] | c17cccc5c1.C6(C)(C)C.CC3=O.C24=O.N37.O25.N46 |
25228 | Cc1ccc2cccc(OC(=O)Nc3ccc(F)cc3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=N][Ring2][Ring1][Branch1] | Cc1ccc2cccc6c2n1.c17ccc(F)cc1.C45=O.O46.N57 |
25230 | CCNC(=O)Nc1cc(Cl)c(OC)cc1OC | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C] | c17cc(Cl)c4cc15.C23=O.CC6.N26.N37.O4C.O5C |
25231 | CNC(=O)Nc1c(C)cc(Br)cc1C | [C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C] | c14c(C)cc(Br)cc1C.C23=O.CN2.N34 |
25232 | CSc1ccc(NC(=O)Oc2ccc(NC(C)=O)cc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c19ccc7cc1.c16ccc8cc1.C34=O.C5(C)=O.CS9.N47.O36.N58 |
25233 | CSc1ccc(NC(=O)OCc2ccncc2)cc1 | [C][S][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c18ccc6cc1.c17ccncc1.C34=O.CS8.N46.O35.C57 |
25234 | COc1ccc(OC)c(NC(=O)OCc2cccnc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c16ccc7c8c1.c19cccnc1.C34=O.CO6.O7C.N48.O35.C59 |
25236 | O=C(Nc1c(Cl)cccc1Cl)c1ccco1 | [O][=C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][O][Ring1][Branch1] | c13c(Cl)cccc1Cl.c14ccco1.O=C24.N23 |
25242 | O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccncc1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc(Cl)c(Cl)c1.c14ccncc1.O=C23.N35.O24 |
25243 | CNC(=O)Oc1c(Cl)cc(Cl)cc1Br | [C][N][C][=Branch1][C][=O][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Br] | c14c(Cl)cc(Cl)cc1Br.C23=O.CN3.O24 |
25244 | Cc1ccc(NC(=O)N(C)Cc2ccco2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][Cl] | Cc1ccc6cc1Cl.c17ccco1.C34=O.N45C.N36.C57 |
25245 | COc1cc(Cl)ccc1NC(=O)Nc1ncccn1 | [C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c14cc(Cl)ccc16.c15ncccn1.C23=O.CO4.N26.N35 |
25247 | COc1cccc(OC)c1OC(=O)Nc1cc(F)ccc1F | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c14cccc5c16.c17cc(F)ccc1F.C23=O.CO4.O5C.O26.N37 |
25248 | O=C(Nc1cc(F)ccc1F)Sc1ccc(O)cc1 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13cc(F)ccc1F.c14ccc(O)cc1.O=C2S4.N23 |
25249 | Cc1cccc(NC(=O)Nc2cc(F)ccc2F)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][C] | c16cc(F)ccc1F.Cc1cccc5n1.C34=O.N35.N46 |
25252 | O=C(CCC(=O)c1ccccc1)NC1CCc2ccccc21 | [O][=C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N3C1CCc2ccccc21.O=C3CCC4=O.c14ccccc1 |
25253 | CCOC(=O)C(=C1NCCN1)C1OC(=O)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][=Branch1][Branch2][=C][N][C][C][N][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C3(=O)C(=C1NCCN1)C1OC(=O)c2ccccc21.CC4.O34 |
25255 | CCOc1cc2[nH]c(=O)[nH]c(=O)c2cc1OCC | [C][C][O][C][=C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=C][Ring1][N][O][C][C] | c15cc2[nH]c(=O)[nH]c(=O)c2cc16.CC3.O35.O46.C4C |
25258 | O=C(Nc1cccc(F)c1)Sc1ccc(O)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13cccc(F)c1.c14ccc(O)cc1.O=C2S4.N23 |
25260 | COc1ccc(OC(=O)Nc2ccccc2F)cc1 | [C][O][C][=C][C][=C][Branch1][S][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | c15ccc6cc1.c17ccccc1F.C34=O.CO5.O36.N47 |
25261 | CC(=O)Nc1ccc(OC(=O)Nc2ccccc2F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | c17ccc6cc1.c18ccccc1F.CC4=O.C35=O.N47.O36.N58 |
25262 | CCOc1ccccc1OC(=O)Nc1ccccc1F | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc16.c17ccccc1F.C23=O.CC4.O45.O26.N37 |
25265 | CSc1ccc(NC(=O)Oc2ccccc2C(N)=O)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc1.c15ccccc17.C34=O.C7(N)=O.CS8.N46.O35 |
25270 | O=C(Nc1cccc(Cl)c1)OCc1cccnc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cccc(Cl)c1.c16cccnc1.O=C23.N35.O24.C46 |
25271 | COc1cccc(OC(=O)Nc2ccc(F)cc2F)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][C] | c17ccc(F)cc1F.c15cccc6c1.C34=O.CO5.O36.N47 |
25273 | CCc1cccc(NC(=O)OCc2cccnc2)c1 | [C][C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P] | c17cccc6c1.c18cccnc1.C34=O.CC7.N46.O35.C58 |
25274 | COC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C] | c17c(C)[nH]c6c1C.c18ccccc1.C37=O.C46=O.CO3.O45.C58 |
25275 | Cc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.c16c[nH]c2ccccc12.C4C6.N45 |
25277 | C=CCc1ccc(OC(=O)Nc2cccc(OC)c2)c(OC)c1 | [C][=C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c19ccc5c7c1.c18cccc6c1.C=CC9.C34=O.O35.N48.O6C.O7C |
25280 | CC(=O)Nc1cc2c(cc1Cl)-c1ccccc1C2O | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][O] | c14cc2c(cc1Cl)-c1ccccc1C2O.CC3=O.N34 |
25281 | CCOC(=O)C1=C2NCCN2C2=C(CCCC2)C1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][C][C][N][Ring1][Branch1][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C2NCCN2C2=C(CCCC2)C15.c15ccccc1.CC4.O34 |
25282 | CC(=O)Nc1cc2c(cc1Br)-c1ccccc1C2=O | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] | c14cc2c(cc1Br)-c1ccccc1C2=O.CC3=O.N34 |
25284 | CSc1ccc(NC(=O)Nc2ncccc2C)cc1 | [C][S][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P] | c17ccc6cc1.c15ncccc1C.C34=O.CS7.N36.N45 |
25289 | COc1ccc(C23CCCN2c2ccccc2C(=O)N3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | C125CCCN1c1ccccc1C(=O)N2.c14ccc5cc1.CO4 |
25290 | CNC(=O)c1cccc2c1C(C(=O)C(C)(C)C)c1ccccc1-2 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | c14cccc2c1C(C(=O)C(C)(C)C)c1ccccc1-2.C34=O.CN3 |
25291 | COc1cc2c(cc1OC)C1c3ccccc3C(=O)N1CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c14cc2c(cc15)C1c3ccccc3C(=O)N1CC2.CO4.O5C |
25292 | Cc1cc2c(cc1N)c(-c1ccccc1)nc(=O)n2C(C)C | [C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Branch1][C][=O][N][Ring1][S][C][Branch1][C][C][C] | Cc1cc2c(cc1N)c4nc(=O)n23.c14ccccc1.C3(C)C |
25293 | OC(c1ccc(-c2ccccc2)cc1)(c1ccccn1)N1CCOCC1 | [O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6cc1.c16ccccc1.c14ccccn1.N13CCOCC1.OC345 |
25294 | Cn1c(=O)c(C2OC(=O)c3ccccc32)c2n(c1=O)CCN2 | [C][N][C][=Branch1][C][=O][C][Branch1][P][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][N][Branch1][Branch1][C][Ring1][P][=O][C][C][N][Ring1][#Branch1] | Cn1c(=O)c(C2OC(=O)c3ccccc32)c2n(c1=O)CCN2 |
25295 | CN1CN(C)C(N)=C(C2OC(=O)c3ccccc32)C1=O | [C][N][C][N][Branch1][C][C][C][Branch1][C][N][=C][Branch1][P][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring2][Ring1][C][=O] | CN1CN(C)C(N)=C(C2OC(=O)c3ccccc32)C1=O |
25296 | CC(O)(c1ccc(-c2ccccc2)cc1)c1cccnc1 | [C][C][Branch1][C][O][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc5cc1.c15ccccc1.c14cccnc1.CC34O |
25297 | O=C1c2ccccc2CC(O)(c2ccccc2)C2CCCCN12 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][N][Ring2][Ring1][=Branch1][Ring1][=Branch1] | O=C1c2ccccc2CC3(O)C2CCCCN12.c13ccccc1 |
25298 | Cn1nc(-c2ccc(O)cc2)c2ccccc2c1=O | [C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | Cn1nc3c2ccccc2c1=O.c13ccc(O)cc1 |
25299 | COc1cc2c(cc1OC)C1(c3ccccc3)CCC(=O)N1CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][N][C][C][Ring2][Ring1][Ring2] | c14cc2c(cc15)C16CCC(=O)N1CC2.c16ccccc1.CO4.O5C |
25300 | CCC(CC)(CC)C1(O)c2ccccc2C(=O)N1C | [C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | CCC(CC)(CC)C1(O)c2ccccc2C(=O)N1C |
25301 | CN(CC1(C)OCCO1)S(=O)(=O)c1ccccc1N | [C][N][Branch1][N][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | S3(=O)(=O)c1ccccc1N.C14(C)OCCO1.CN23.C24 |
25302 | COc1ccc(Cl)cc1NC(=O)n1ccnc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1] | c13ccc(Cl)cc14.C2(=O)n1ccnc1.CO3.N24 |
25303 | CCOc1ccc(NC(=O)Oc2cccc3cccnc23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c18cccc2cccnc12.c17ccc9cc1.C45=O.CC6.O67.N59.O48 |
25304 | CSc1ccc(NC(=O)Oc2cccc3cccnc23)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c16cccc2cccnc12.c18ccc7cc1.C45=O.CS8.N57.O46 |
25309 | COc1ccc(NC(=O)Oc2cccc3cccnc23)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c17cccc2cccnc12.c16ccc9c8c1.C45=O.CO6.N59.O47.O8C |
25313 | O=C(Nc1cccc(F)c1)n1cnc2ccccc21 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=C3n1cnc2ccccc21.c14cccc(F)c1.N34 |
25314 | Cc1ccc(NC(=O)N(C)Cc2ccco2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][C] | Cc1ccc6cc1C.c17ccco1.C34=O.N45C.N36.C57 |
25315 | CCc1cccc(CC)c1NC(=O)Oc1ccncc1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16cccc7c15.c14ccncc1.C23=O.CC6.C7C.N35.O24 |
25316 | COc1cc(OC)c(NC(=O)Nc2cccnc2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Cl] | c15cc6c7cc1Cl.c18cccnc1.C34=O.CO5.O6C.N37.N48 |
25317 | COc1cc(OC)c(NC(=O)n2ccnc2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][S][Cl] | c14cc5c6cc1Cl.C3(=O)n1ccnc1.CO4.O5C.N36 |
25319 | COc1cc(OC)c(NC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1][Cl] | c16cc7c8cc1Cl.c19ccc2[nH]ncc2c1.C45=O.CO6.O7C.N48.N59 |
25320 | COc1cc(Cl)ccc1NC(=O)n1ccnc1 | [C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1] | c13cc(Cl)ccc14.C2(=O)n1ccnc1.CO3.N24 |
25321 | COc1cc(Cl)ccc1NC(=O)Nc1cnccn1 | [C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14cc(Cl)ccc16.c15cnccn1.C23=O.CO4.N26.N35 |
25322 | CSc1ccc(NC(=O)NC2CCCC2)cc1 | [C][S][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc5cc1.C16CCCC1.C34=O.CS7.N35.N46 |
25323 | Cc1cccc(C(C)C)c1NC(=O)NC1CCCC1 | [C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | Cc1cccc6c14.C15CCCC1.C6(C)C.C23=O.N24.N35 |
25325 | CSc1ccc(NC(=O)Oc2cccc3ccc(C)nc23)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c16cccc2ccc(C)nc12.c18ccc7cc1.C45=O.CS8.N57.O46 |
25329 | CC(Cc1ccccc1)N(C)C(=O)c1ccccc1 | [C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c14ccccc1.CC3C5.N23C.C24=O |
25330 | CC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c15ccccc1.CC3(C)C.N234.C25=O.C46 |
25331 | O=S(=O)(CCCc1ccccc1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)CCC3.c13ccccc1.N12CCOCC1 |
25333 | CC(=O)NC(CC(C)C)C(=O)Oc1cccc2ccccc12 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.C6(CC(C)C)C3=O.CC4=O.N46.O35 |
25335 | CNC(=O)Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 | [C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc7cc1.c18ccc(Cl)cc1.C34=O.C58=O.CN4.O36.N57 |
25337 | O=C(Nc1nc2ccccc2[nH]1)Nc1cc(F)ccc1F | [O][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c15nc2ccccc2[nH]1.c16cc(F)ccc1F.O=C34.N35.N46 |
25338 | Cc1ccc2cccc(OC(=O)Nc3cc(F)ccc3F)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch1] | Cc1ccc2cccc6c2n1.c17cc(F)ccc1F.C45=O.O46.N57 |
25340 | COc1cc(NC(=O)c2ccco2)ccc1NC(C)=O | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][Branch1][C][C][=O] | c15cc6ccc17.c18ccco1.C38=O.C4(C)=O.CO5.N36.N47 |
25341 | N#CC1c2ccccc2C=CN1S(=O)(=O)c1ccccc1 | [N][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#CC1c2ccccc2C=CN13.S3(=O)(=O)c1ccccc1 |
25343 | COc1cc(NC(=O)C2CCC(=O)N2)cc2ccccc12 | [C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c14cc5cc2ccccc12.C16CCC(=O)N1.C36=O.CO4.N35 |
25344 | COc1ccc(OC(=O)Nc2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch1][P][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c18ccccc17.C34=O.CO5.O36.N48.O7C |
25346 | COc1ccc(Cl)cc1NC(=O)Nc1ccc(CCO)cc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2] | c14ccc(Cl)cc15.c16ccc7cc1.C23=O.C7CO.CO4.N25.N36 |
25349 | CCOc1ccccc1OC(=O)Nc1ccccc1OC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c15ccccc16.c18ccccc17.C23=O.CC4.O45.O26.N38.O7C |
25352 | COc1cc(Cl)ccc1NC(=O)Oc1cccc(NC(C)=O)c1 | [C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c15cc(Cl)ccc17.c16cccc8c1.C23=O.C4(C)=O.CO5.N37.O26.N48 |
25353 | COC(=O)c1ccccc1OC(=O)Nc1ccc(OC)cc1OC | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c18ccc6cc17.c19ccccc15.C29=O.C34=O.CO2.O35.N48.O6C.O7C |
25355 | CSc1ccc(NC(=O)N2CCC(C)CC2)cc1 | [C][S][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc5cc1.N14CCC(C)CC1.C34=O.CS6.N35 |
25357 | COc1ccc(OC(=O)Nc2ccc(SC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17ccc8cc1.C34=O.CO5.O36.N47.S8C |
25365 | Cc1cc(S(=O)(=O)c2ccccc2)c(C)s1 | [C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][#C] | Cc1cc(S(=O)(=O)c2ccccc2)c(C)s1 |
25366 | COc1ccc(OC(=O)Nc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17ccc(F)cc1.C34=O.CO5.O36.N47 |
25369 | COC(=O)c1ccccc1OC(=O)Nc1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccccc15.c16ccc(F)cc1.C27=O.C34=O.CO2.O35.N46 |
25371 | O=c1[nH]c(=Cc2cccc(O)c2)c(=O)[nH]c1=Cc1cccc(O)c1 | [O][=C][NH1][C][=Branch1][=N][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring1][#C][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | O=c1[nH]c(=Cc2cccc(O)c2)c(=O)[nH]c1=Cc1cccc(O)c1 |
25373 | c1ccc2c(c1)nnn2CCCn1nnc2ccccc21 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c1ccc2c(c1)nnn23.n14nnc2ccccc21.C3CC4 |
25375 | Cc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | C3S(=O)(=O)c1ccc(C)cc1.Cc1ccc3cc1 |
25378 | COc1ccc(N2C(=O)CC2c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc4cc1.N14C(=O)CC15.c15ccccc1.CO3 |
25380 | Nc1cc(Br)cc(Br)c1 | [N][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2] | Nc1cc(Br)cc(Br)c1 |
25381 | CC(C)(Oc1ccc(Br)cc1)C(N)=O | [C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O] | c13ccc(Br)cc1.CC2(C)C(N)=O.O23 |
25382 | CC(C)c1cc(OC(=O)N(C)C)ccc1N(C)C | [C][C][Branch1][C][C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][N][N][Branch1][C][C][C] | c16cc4ccc15.CC6C.C23=O.N3(C)C.N5(C)C.O24 |
25383 | CC(=O)Oc1cc(OC(C)=O)c(Cl)cc1Cl | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][C][Cl][C][=C][Ring1][O][Cl] | c14cc5c(Cl)cc1Cl.CC2=O.C3(C)=O.O24.O35 |
25384 | CCOC(=O)c1occ(Br)c1Br | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][Br][C][=Ring1][=Branch1][Br] | c14occ(Br)c1Br.C24=O.CC3.O23 |
25385 | CC(=O)Oc1c(C)c(C)c(OC(C)=O)c2ccccc12 | [C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | c15c(C)c(C)c6c2ccccc12.CC3=O.C4(C)=O.O35.O46 |
25388 | CC1CCCC(C)N1C(=O)Nc1cccc(F)c1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | CC1CCCC(C)N12.c14cccc(F)c1.C23=O.N34 |
25389 | COc1ccc(OC(=O)Nc2c(C)cccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C] | c17c(C)cccc1C.c15ccc6cc1.C34=O.CO5.O36.N47 |
25391 | COc1ccc(-c2ccc(OC)c(OC)c2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring1][S][O][C] | c13ccc7cc16.c17ccc4c5c1.CO3.O4C.O5C.O6C |
25392 | CC(=O)Oc1cc(OC(C)=O)c(C(C)(C)C)cc1OC(C)=O | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C][Branch1][C][C][=O] | c15cc6c8cc17.C8(C)(C)C.CC2=O.C3(C)=O.C4(C)=O.O25.O36.O47 |
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