ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
6241 | CC1Cc2nn(-c3ccccc3)c(-c3cccnc3)c2C(=O)C1C | [C][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][C] | CC1Cc2nn4c5c2C(=O)C1C.c14ccccc1.c15cccnc1 |
6242 | CC(C)Oc1cccc(NC(=O)c2csnn2)c1 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][=C][Ring1][=C] | c15cccc6c1.c17csnn1.CC4C.C37=O.O45.N36 |
6243 | O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csnn1 | [O][=C][Branch2][Ring1][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=C][S][N][=N][Ring1][Branch1] | c13cc5cc6c1.c14csnn1.C5(F)(F)F.C6(F)(F)F.O=C24.N23 |
6244 | O=C(Nc1cc(Cl)cc(Cl)c1)c1csnn1 | [O][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][S][N][=N][Ring1][Branch1] | c13cc(Cl)cc(Cl)c1.c14csnn1.O=C24.N23 |
6245 | O=C1CCCc2nn(-c3ccccc3)c(-c3cccs3)c21 | [O][=C][C][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][S][Ring2][Ring1][Ring2] | O=C1CCCc2nn4c5c21.c14ccccc1.c15cccs1 |
6246 | O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccncc1 | [O][=C][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C3CC1(O)C(=O)Nc2ccc(Br)cc21.c13ccncc1 |
6247 | NC(=O)C1Cc2ccccc2CN1S(=O)(=O)c1cccs1 | [N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C14Cc2ccccc2CN13.S3(=O)(=O)c1cccs1.NC4=O |
6248 | CNC(=O)C1Cc2ccccc2CN1S(=O)(=O)c1cccs1 | [C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C15Cc2ccccc2CN14.S4(=O)(=O)c1cccs1.C35=O.CN3 |
6252 | CCOC(=O)c1sc2nc3c(cc2c1N)COC(C)(C)C3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][N] | c16sc2nc3c(cc2c1N)COC(C)(C)C3.C46=O.CC5.O45 |
6254 | CCCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O | [C][C][C][N][C][=N][C][=C][Branch2][Ring1][#Branch2][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1][=O] | n15cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O.CCC5 |
6255 | Cc1nnsc1C(=O)Nc1ccc(-c2cnco2)cc1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O] | c14ccc6cc1.Cc1nnsc15.c16cnco1.C35=O.N34 |
6256 | CC(=O)N1CCN(c2ccc(C(=O)c3cccc(F)c3)cc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][#C][C][C][Ring2][Ring1][Branch1] | N14CCN5CC1.c15ccc6cc1.c17cccc(F)c1.CC4=O.C67=O |
6257 | Cc1noc(C)c1-c1nc(CSc2ccc(Cl)cc2)no1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][=C] | Cc1noc(C)c16.c15ccc(Cl)cc1.c16nc4no1.C34.S35 |
6258 | CC(=O)c1cc(F)c(N2CCN(C(=O)c3cccs3)CC2)cc1C | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2][C] | c17cc(F)c5cc1C.N15CCN4CC1.c16cccs1.CC7=O.C46=O |
6259 | O=C(NCCc1ccncc1)Nc1ccc(Cl)cc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c16ccncc1.O=C23.C4C6.N24.N35 |
6260 | Cc1noc(C)c1-c1nc(CSc2ccccn2)no1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][=N] | Cc1noc(C)c16.c16nc4no1.c15ccccn1.C34.S35 |
6263 | Cc1cc(C)n(C(=O)c2ccc(NC(=O)CC(C)C)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=C][Ring1][=N][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n(C5=O)n1.c15ccc4cc1.C3(=O)CC(C)C.N34 |
6266 | CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CCCC2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch2][Ring1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][P] | c15sc2c(c17)CCCC2.c16cccc(C)c1.CC3=O.C47=O.N35.N46 |
6267 | CC(C)(C)C(=O)Nc1ccc(-c2csnn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c14ccc5cc1.CC(C)(C)C3=O.c15csnn1.N34 |
6269 | Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N(C)C)CCC3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][O][=C][Ring2][Ring1][=Branch1] | c16sc2c(c18)CCC2.Cc1cccc7c1.C47=O.C58=O.N5(C)C.N46 |
6270 | O=C(Nc1ccc(-c2csnn2)cc1)c1csnn1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][S][N][=N][Ring1][Branch1] | c14ccc6cc1.c16csnn1.c15csnn1.O=C35.N34 |
6271 | O=C(Nc1ccc(-c2csnn2)cc1)c1cccs1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | c14ccc6cc1.c16csnn1.c15cccs1.O=C35.N34 |
6272 | CCn1cc(C(=O)OC)c(=O)c2cc(C(F)(F)F)ccc21 | [C][C][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1] | n15cc4c(=O)c2cc6ccc21.C6(F)(F)F.C34=O.CC5.O3C |
6276 | CCCC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2 | [C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][C][O][Ring1][S] | c16cc2c(cc14)OCCO2.CCCC6=O.c15cccs1.C35=O.N34 |
6277 | CNc1scnc1S(=O)(=O)c1ccc(C)cc1 | [C][N][C][S][C][=N][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c12scnc1S(=O)(=O)c1ccc(C)cc1.CN2 |
6279 | Cc1noc(C)c1-c1nc(CS(=O)(=O)c2ccccc2)no1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][#C] | C3S(=O)(=O)c1ccccc1.Cc1noc(C)c14.c14nc3no1 |
6281 | CC(C)(C)NC(=O)NCc1ccc(-c2csnn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c17ccc8cc1.c18csnn1.CC5(C)C.C34=O.N35.N46.C67 |
6282 | O=C(NCc1ccc(-c2csnn2)cc1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc8cc1.c16ccccc1.c18csnn1.O=C34.N35.C57.N46 |
6283 | Cc1nn(C(=O)c2ccc3c(c2)OCO3)c(N)c1-c1ccccc1 | [C][C][=N][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nn(C4=O)c(N)c15.c14ccc2c(c1)OCO2.c15ccccc1 |
6284 | Cc1noc(C)c1C(=O)NCc1ccc(-c2csnn2)cc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | Cc1noc(C)c15.c16ccc7cc1.c17csnn1.C35=O.N34.C46 |
6285 | Cc1cccc(NC(=O)Nc2cccc3ccccc23)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c17cccc2ccccc12.Cc1cccc6n1.C45=O.N46.N57 |
6286 | COC(=O)c1ccc2nc(NC(=O)c3ccccc3N)sc2c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6sc2c1.c18ccccc1N.C47=O.C58=O.CO4.N56 |
6288 | NC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][Ring1][=N][=C][Ring1][P] | c17ccc2nc5sc2c1.c16cccs1.NC7=O.C46=O.N45 |
6290 | Nc1c(Br)cc(-c2csnn2)cc1Br | [N][C][=C][Branch1][C][Br][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][N][Br] | Nc1c(Br)cc3cc1Br.c13csnn1 |
6291 | CC(C)(C)C(=O)NCc1ccc(-c2csnn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c15ccc6cc1.CC(C)(C)C3=O.c16csnn1.N34.C45 |
6292 | O=C(NCc1ccc(-c2csnn2)cc1)C1CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][C][Ring1][Ring1] | c16ccc7cc1.c17csnn1.O=C35.C15CC1.N34.C46 |
6293 | CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | n16c7nnc18.c15ccc(Cl)cc1.C4C3=O.C18CC1.CC6.S47.N35 |
6294 | O=C(N1CCOCC1)N1CCN(c2cc(Cl)ccc2Cl)CC1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C] | c15cc(Cl)ccc1Cl.N14CCN5CC1.N13CCOCC1.O=C34 |
6295 | COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3o2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1] | c19nc2ccccc2o1.c15cc6nc8n1.C4(=O)C7.CO5.O6C.N48.S79 |
6296 | CSc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 | [C][S][C][=N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][S][Ring1][P] | c15nc2ccc(S4(=O)=O)cc2s1.N14CCCC1.CS5 |
6297 | COc1cccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | c15cccc7c1.c16ccc8cc1.c19ccncc1.C47=O.C89=O.CO5.N46 |
6298 | CCN(CC)S(=O)(=O)c1ccc2nc(SC)sc2c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][Ring1][S][C][S][C][Ring1][#Branch1][=C][Ring1][O] | S5(=O)(=O)c1ccc2nc6sc2c1.N345.CC3.C4C.S6C |
6299 | COC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc2c(c1)ncn26.C16CCCCC1.C34=O.CO3.N45 |
6300 | CCOC(=O)c1sc(S(N)(=O)=O)c(C(=O)OCC)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Ring1][=C][C] | c16sc(S(N)(=O)=O)c7c1C.C26=O.C37=O.CC4.O24.O35.C5C |
6301 | CCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | CCN1C(=O)C(O)(CC4=O)c2ccccc21.c14ccc2c(c1)OCO2 |
6303 | O=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][N][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15c(Cl)cc(Cl)c2cccnc12.N14CCOCC1.O=C34.O35 |
6304 | CCOC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C] | c18ccc9cc1.C1%10CCCO1.C34=O.C59=O.CC6.O36.N48.N57.C7%10 |
6305 | Cc1csc(-c2ccc(-c3csnn3)cc2)n1 | [C][C][=C][S][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring1][S] | c14ccc5cc1.Cc1csc4n1.c15csnn1 |
6306 | COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)COC3=O)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][Branch1] | c17ccc2c(c1)COC2=O.c15cc6cc8c1.C48=O.CO5.O6C.N47 |
6307 | COC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc8cc1.C19CCCO1.C34=O.C58=O.CO3.N47.N56.C69 |
6308 | CCOC(=O)c1csc(-c2ccc(-c3csnn3)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring1][S] | c17ccc8cc1.c16csc7n1.c18csnn1.C46=O.CC5.O45 |
6309 | N#CCn1c2ccccc2c2nc3ccccc3nc21 | [N][#C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][P] | n14c2ccccc2c2nc3ccccc3nc21.N#CC4 |
6311 | Cc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][O][Ring2][Ring1][Ring2] | c16nnc7n1C.Cc1ccc5o1.c17cccs1.C5(=O)C4.S46 |
6312 | Cc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)CCCC3)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | Cc1ccc2c(c1)C(O)(CC4=O)C(=O)N2.c14ccc2c(c1)CCCC2 |
6313 | Cc1occc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c14c(C)n(C)n6c1=O.Cc1occc15.c16ccccc1.C35=O.N34 |
6314 | Cc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)OCO3)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | Cc1ccc2c(c1)C(O)(CC4=O)C(=O)N2.c14ccc2c(c1)OCO2 |
6315 | Cc1n[nH]c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | Cc1n[nH]c(C)c14.c15ccc6cc1.c16ccccc1.C35=O.N34 |
6316 | COc1ccc(OC)c(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][=C][Ring2][Ring1][#Branch1] | C6(=O)CC1(O)C(=O)Nc2ccc(C)cc21.c14ccc5c6c1.CO4.O5C |
6318 | CC(C)(C)C(=O)Oc1ccc(-c2csnn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c14ccc5cc1.CC(C)(C)C3=O.c15csnn1.O34 |
6320 | Cc1n[nH]c(C)c1NC(=O)c1ccc(Cl)cc1Cl | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.Cc1n[nH]c(C)c13.C24=O.N23 |
6321 | NC(=O)c1c(NC(=O)C2CC2c2ccccc2)sc2c1CCCC2 | [N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][P][C][C][C][C][Ring1][=Branch1] | c16c4sc2c1CCCC2.c17ccccc1.C15CC17.NC6=O.C35=O.N34 |
6322 | COc1cc(NS(=O)(=O)N2CCCC2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c13cc6cc4c15.N6S(=O)(=O)N1CCCC1.CO3.O4C.O5C |
6324 | Cc1c(NS(=O)(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C] | Cc1c3c(=O)n4n1C.N3S(=O)(=O)N1CCCC1.c14ccccc1 |
6325 | Cc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n(C4=O)n1.S3(=O)(=O)c1ccccc1.C14CCCN13 |
6326 | CCOC(=O)Nc1cc2c(cc1C(C)=O)OCO2 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][O][C][O][Ring1][#Branch2] | c16cc2c(cc17)OCO2.C34=O.C7(C)=O.CC5.O35.N46 |
6327 | CCc1nnc(N2C(=O)c3ccccc3C2(O)c2ccccc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] | N15C(=O)c2ccccc2C1(O)c1ccccc1.c14nnc5s1.CC4 |
6328 | O=C(Nc1cccc(-c2nnco2)c1)c1cccs1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][=C][Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | c14cccc6c1.c16nnco1.c15cccs1.O=C35.N34 |
6332 | CC(C)S(=O)(=O)c1nnn(-c2cc(Cl)cc(Cl)c2)c1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][N][=N][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=N][N] | CC(C)S(=O)(=O)c1nnn3c1N.c13cc(Cl)cc(Cl)c1 |
6333 | O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch2][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | C156Oc2ccccc2O1.N14CCCC1.C6(F)(F)F.O=C34.N35 |
6334 | NC(=O)CSc1nc2ccc(Cl)cc2s1 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] | c14nc2ccc(Cl)cc2s1.NC(=O)C3.S34 |
6335 | CC1Sc2ccc(Cl)cc2-c2nc(N)ncc21 | [C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][Ring1][S] | CC1Sc2ccc(Cl)cc2-c2nc(N)ncc21 |
6336 | O=S(=O)(N=c1cccc[nH]1)c1ccc(C(F)(F)F)cc1Cl | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][=C][C][=C][C][=C][NH1][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | O=S(=O)(N=c1cccc[nH]1)c1ccc2cc1Cl.C2(F)(F)F |
6337 | COc1ccc(NC(=O)c2cncc(Br)c2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc6cc15.c17cncc(Br)c1.C37=O.CO4.N36.O5C |
6338 | CN(C)C(=O)CSc1nnc(COc2ccccc2)n1C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C] | c18nnc7n1C.c15ccccc1.C3(=O)C6.CN3C.S68.C47.O45 |
6339 | CCOC(=O)C1(c2ccccc2)NC(=O)c2ccccc2N1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P] | C156NC(=O)c2ccccc2N1.c16ccccc1.C35=O.CC4.O34 |
6340 | Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)no1 | [C][C][=C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=N][O][Ring2][Ring1][Ring2] | S3(=O)(=O)c1ccc5cc1Cl.Cc1cc4no1.C5(F)(F)F.N34 |
6341 | O=S(=O)(Nc1ncccn1)c1ccc(C(F)(F)F)cc1Cl | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | O=S2(=O)c1ccc4cc1Cl.c13ncccn1.C4(F)(F)F.N23 |
6343 | CCn1c(COc2cccc3cccnc23)nnc1SCC(N)=O | [C][C][N][C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][N][=C][Ring1][P][S][C][C][Branch1][C][N][=O] | c15cccc2cccnc12.n17c8nnc19.C6C(N)=O.CC7.C48.O45.S69 |
6344 | Cn1c(SCC(N)=O)nnc1-c1sc2ccccc2c1Cl | [C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c15sc2ccccc2c1Cl.Cn1c4nnc15.C3C(N)=O.S34 |
6345 | Cc1oc2nc(SCC(=O)NC3CCCCC3)nc(N)c2c1C | [C][C][O][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][C][N][=C][Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1oc2nc7nc(N)c2c1C.C16CCCCC1.C5C4=O.S57.N46 |
6346 | Cc1csc(Cc2ccc(-c3csnn3)cc2)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring1][P] | c15ccc6cc1.Cc1csc4n1.c16csnn1.C45 |
6347 | CCOC(=O)c1csc(Cc2ccc(-c3csnn3)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring1][P] | c18ccc9cc1.c16csc7n1.c19csnn1.C46=O.CC5.O45.C78 |
6348 | O=C(Oc1cccc2cccnc12)N1CCCCC1 | [O][=C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15cccc2cccnc12.N14CCCCC1.O=C34.O35 |
6349 | COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCO2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c17ccc2c(c1)OCCO2.c16ccccc15.C36=O.C47=O.CO3.N45 |
6350 | COc1ccccc1NC(=O)c1ccc(-c2csnn2)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c14ccccc15.c16ccc7cc1.c17csnn1.C36=O.CO4.N35 |
6352 | COc1ccc(C(=O)CSc2ccccn2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c13ccc6cc14.c17ccccn1.C6(=O)C5.CO3.S57.O4C |
6353 | O=C(NCc1ccco1)c1ccc(-c2csnn2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c15ccc7cc1.c16ccco1.c17csnn1.O=C35.N34.C46 |
6354 | O=C(NCc1cccc(Cl)c1)c1ccc(-c2csnn2)cc1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c16cccc(Cl)c1.c15ccc7cc1.c17csnn1.O=C35.N34.C46 |
6355 | O=C(Cn1cnc2ccccc21)NCCc1ccccc1 | [O][=C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15cnc2ccccc21.c16ccccc1.O=C3C5.C4C6.N34 |
6357 | Cc1cc(C)c(NC(=O)Cn2cnc3ccccc32)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1cc(C)c5c(C)c1.n16cnc2ccccc21.C4(=O)C6.N45 |
6358 | CCOC(=O)c1ncoc1-c1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14ncoc15.C24=O.CC3.O23 |
6360 | N#Cc1ccc(S(=O)(=O)Nc2cccnc2)c(Cl)c1 | [N][#C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P] | N#Cc1ccc(S3(=O)=O)c(Cl)c1.c14cccnc1.N34 |
6362 | COc1ccc2c(c1OC)C(=O)N(c1ccc3cn[nH]c3c1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch1][=C][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][C] | c14ccc2c(c15)C(=O)N6C2.c16ccc2cn[nH]c2c1.CO4.O5C |
6363 | COc1ccc(C=C2NC(=O)c3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring1][P][O][C] | C1=6NC(=O)c2ccccc21.c14ccc(C=6)cc15.CO4.O5C |
6364 | COc1ccc2c(c1OC)C(=O)N(c1ccc(Cl)cc1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S] | c13ccc2c(c14)C(=O)N5C2.c15ccc(Cl)cc1.CO3.O4C |
6366 | Cc1cc(NC(=O)CCOc2ccc(F)cc2)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][C] | c15ccc(F)cc1.Cc1cc6no1.C3(=O)CC4.N36.O45 |
6367 | O=C(CCOc1ccc(F)cc1)Nc1nccs1 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][=C][S][Ring1][Branch1] | c14ccc(F)cc1.O=C2CC3.c15nccs1.O34.N25 |
6369 | COCc1cc(C)nc2sc(C(=O)NC3CCCCC3)c(N)c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][N][C][Ring2][Ring1][Ring2][=Ring1][#C] | c18cc(C)nc2sc7c(N)c12.C16CCCCC1.C47=O.CO5.C58.N46 |
6370 | O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14cc(Cl)cc(Cl)c1.O=C35.N34 |
6371 | O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14ccc6cc1.C6(F)(F)F.O=C35.N34 |
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