ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
3243 | COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1] | c15sc(C)c(C)c17.c14ccc6cc1.C36=O.C7(N)=O.CO4.N35 |
3245 | Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1 | [C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nc2c(cnn23)c(=O)n14.c14ccc(Cl)cc1.c13ccccc1 |
3246 | CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=C][Ring1][S] | c15ccc7cc1.c17nnc6o1.c16ccco1.CC4.O45 |
3248 | O=C(c1ccco1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.c15ccco1.O=C35 |
3249 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13ccccc1.CO2 |
3250 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC14.c14ccc(F)cc1.CC3.O23 |
3251 | O=C(COc1ccc(Cl)cc1)NCc1cccnc1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc(Cl)cc1.c16cccnc1.O=C2C3.O34.N25.C56 |
3254 | O=C(NCc1ccncc1)c1sc2ccccc2c1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c15sc2ccccc2c1Cl.c16ccncc1.O=C35.N34.C46 |
3255 | Nc1ccccc1SCc1cn2cccnc2n1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2] | c14cn2cccnc2n1.Nc1ccccc15.S35.C34 |
3256 | CCC(C)c1ccc(NC(=O)c2cccnc2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc4cc1.c15cccnc1.CCC6C.C35=O.N34 |
3260 | O=C(Cc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | N13CCN4CC1.c15ccccc1.c16ccccc1.O=C3C5.C4(=O)C6 |
3265 | COc1ccc(C(=O)c2oc3ccccc3c2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][Ring2][Ring1][C] | c15oc2ccccc2c1N.c14ccc6cc1.C56=O.CO4 |
3266 | COc1ccc(-c2csc3ncn(CC(N)=O)c(=O)c23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16csc2ncn5c(=O)c12.c14ccc6cc1.C5C(N)=O.CO4 |
3267 | Cc1cc(N)n(-c2ccc(Br)cc2)n1 | [C][C][C][=C][Branch1][C][N][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=Ring1][=N] | Cc1cc(N)n3n1.c13ccc(Br)cc1 |
3268 | CC(=O)NC(NC(C)=O)c1cccc(Oc2ccccc2)c1 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N] | c19cccc5c1.c16ccccc1.CC3=O.C789.C4(C)=O.N37.N48.O56 |
3272 | COc1cc(OC)cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c16ccc(S(N)(=O)=O)cc1.c14cc5cc7c1.C37=O.CO4.O5C.N36 |
3273 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccccc1.CC4.O34 |
3274 | CC1=C(C(=O)Nc2cccnc2)C(c2ccccc2)n2ncnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C(c2ccccc2)n2ncnc2N1.c14cccnc1.N34 |
3275 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc(Cl)cc1.CC4.O34 |
3276 | COC(=O)C1=C(C)Nc2ncnn2C1c1ccc(O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc(O)cc1.CO3 |
3277 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc(O)cc1.CC4.O34 |
3278 | CC1=C(C(=O)Nc2ccccc2)C(c2ccc(O)cc2)n2ncnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2] | CC1=C(C3=O)C(c2ccc(O)cc2)n2ncnc2N1.c14ccccc1.N34 |
3280 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1cccc(O)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1cccc(O)c1.CC4.O34 |
3281 | COC(=O)C1=C(C)Nc2ncnn2C1c1cccc(O)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1cccc(O)c1.CO3 |
3282 | COC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc4cc1.CO3.O4C |
3283 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc5cc1.CC4.O34.O5C |
3284 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccc5cc1.CC4.O34.O5C |
3285 | COC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccc4cc1.CO3.O4C |
3288 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccc(O)cc1.CC4.O34 |
3289 | COC(=O)C1=C(C)Nc2nnnn2C1c1ccc(O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccc(O)cc1.CO3 |
3290 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1cccc(O)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1cccc(O)c1.CC4.O34 |
3291 | COC(=O)C1=C(C)Nc2nnnn2C1c1cccc(O)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1cccc(O)c1.CO3 |
3292 | COC(=O)C1=C(C)Nc2nnnn2C1c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccc(Cl)cc1.CO3 |
3293 | CC1=C(C(=O)Nc2cccnc2)C(c2ccccc2)n2nnnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C(c2ccccc2)n2nnnc2N1.c14cccnc1.N34 |
3294 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccccc1.CC4.O34 |
3295 | COC(=O)C1=C(C)Nc2nnnn2C1c1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccccc1.CO3 |
3297 | CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2C1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C(c2ccccc2)Nc2nnnn2C1c1ccccc1.CC4.O34 |
3298 | CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccnc2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][S] | CS(=O)(=O)c1ccc(Cl)c4c1.c15cccnc1.C35=O.N34 |
3300 | N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCCC1 | [N][#C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][N][C][C][C][C][Ring1][Branch1] | N#Cc1nc4oc13.c14ccc(Cl)cc1.N13CCCC1 |
3301 | N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCCC1 | [N][#C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Ring1][N][N][C][C][C][C][C][Ring1][=Branch1] | N#Cc1nc4oc13.c14ccc(F)cc1.N13CCCCC1 |
3302 | CC1CN(c2oc(-c3ccccc3)nc2C#N)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring2][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][#N][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2] | CC1CN4CC(C)O1.c14oc5nc1C#N.c15ccccc1 |
3303 | Cc1ccc(-c2nc(C#N)c(N3CC(C)OC(C)C3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15nc(C#N)c4o1.N14CC(C)OC(C)C1.Cc1ccc5cc1 |
3304 | Cc1ccc(-c2nc(C#N)c(N3CCCC3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C] | c15nc(C#N)c4o1.Cc1ccc5cc1.N14CCCC1 |
3305 | CC(C)CNc1oc(-c2ccc(F)cc2)nc1C#N | [C][C][Branch1][C][C][C][N][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][#N] | c14oc5nc1C#N.c15ccc(F)cc1.CC(C)C3.N34 |
3306 | CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8n16.c18cccnc1.c16ccccc1.C3(=O)C5.CC4.O34.S57 |
3311 | CCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][S][Ring1][O] | S5(=O)(=O)c1ccc6s1.c16csc(C)n1.N345.CC3.C4C |
3312 | O=C(CSc1nccc(C(F)(F)F)n1)c1cccnc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15nccc4n1.c13cccnc1.O=C3C2.C4(F)(F)F.S25 |
3313 | CC(C)(C)OC(=O)N1CCCN(C(=O)c2cccs2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | N14CCCN5CC1.c17cccs1.CC6(C)C.C34=O.C57=O.O36 |
3316 | Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)s2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][S][Ring1][#C][=C][S][Ring2][Ring1][Ring2] | c15ccc(S4(=O)=O)s1.N14CCCCCC1.Cc1nc5cs1 |
3317 | c1cncc(Nc2nc(-c3cccs3)cs2)c1 | [C][=C][N][=C][C][Branch2][Ring1][C][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][S][Ring1][#Branch2][=C][Ring1][P] | c1cncc5c1.c14nc6cs1.c16cccs1.N45 |
3318 | Cc1nc(-c2ccc(S(=O)(=O)NCC3CC3)s2)cs1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][S][Ring1][=N][=C][S][Ring2][Ring1][C] | c17ccc(S5(=O)=O)s1.Cc1nc7cs1.C16CC1.N45.C46 |
3319 | Cc1c(Cl)cccc1NC(=O)N1CCC(O)CC1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | Cc1c4cccc1Cl.N13CCC(O)CC1.C23=O.N24 |
3320 | O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(O)CC1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | c15ccc4cc1.N13CCC(O)CC1.O4C(F)(F)F.O=C23.N25 |
3321 | COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | C4(=O)C1=C(C)Nc2nc5nn2C1c1cccnc1.c15ccccc1.CO4 |
3322 | O=C(Nc1ccc(F)cc1OC(F)(F)F)N1CCC(O)CC1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | c15ccc(F)cc14.N13CCC(O)CC1.O4C(F)(F)F.O=C23.N25 |
3323 | O=C(COc1ccc(F)cc1)Nc1nccs1 | [O][=C][Branch1][=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.c15nccs1.O=C2C3.O34.N25 |
3324 | CC1Sc2sc(=O)sc2SC(C)(C)C1=O | [C][C][S][C][S][C][=Branch1][C][=O][S][C][=Ring1][=Branch1][S][C][Branch1][C][C][Branch1][C][C][C][Ring1][=N][=O] | CC1Sc2sc(=O)sc2SC(C)(C)C1=O |
3325 | FC(F)(F)c1ccnc(-n2ccc(-c3cccs3)n2)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][Branch1][P][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][=N][Ring1][S] | c14ccnc5n1.n15ccc6n1.c16cccs1.FC4(F)F |
3326 | Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccccc1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc5ccc14.c16ccccc1.C5(F)(F)F.C24=O.N23.C36 |
3327 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(NC(C)=O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)NC(=O)NC16.c16ccc5cc1.C3(C)=O.CC4.O24.N35 |
3328 | Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | Cc1nc4ccc13.N12CCCCC1.C4(F)(F)F.C23=O |
3329 | c1ccc(-c2csc3ncnc(NC4CC4)c23)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][=N][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c17csc2ncnc5c12.c1ccc7cc1.C16CC1.N56 |
3330 | FC(F)(F)c1ccnc(NCc2ccc3c(c2)OCO3)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][P] | c17ccc2c(c1)OCO2.c16ccnc5n1.FC6(F)F.N45.C47 |
3331 | Cc1nc(C(F)(F)F)ccc1C(=O)NCC1CC1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1] | Cc1nc5ccc14.C5(F)(F)F.C24=O.C16CC1.N23.C36 |
3332 | c1ccc(-c2csc3ncn4nnnc4c23)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][N][=C][N][N][=N][N][=C][Ring1][Branch1][C][Ring1][N][=Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15csc2ncn3nnnc3c12.c1ccc5cc1 |
3333 | COc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][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][Ring2][Ring1][Ring1] | S5(=O)(=O)c1ccc(F)cc1.c13ccc4c6c1.CO3.O4C.N56 |
3334 | c1ccc(-c2csc3ncn4cnnc4c23)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][N][=C][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][N][=Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15csc2ncn3cnnc3c12.c1ccc5cc1 |
3335 | O=C(NC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1ccco1 | [O][=C][Branch2][Ring1][#C][N][C][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | C15CCN4CC1.c14nccc7n1.c16ccco1.C7(F)(F)F.O=C36.N35 |
3336 | CC(C)(C)OC(=O)N1CCN(C(=O)c2cccs2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N14CCN5CC1.c17cccs1.CC6(C)C.C34=O.C57=O.O36 |
3337 | COc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N] | c17ccccc18.N14CCN5CC1.C6(C)(C)C.C34=O.C25=O.CO7.N38.O26 |
3338 | c1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][S][C][=N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c18csc2ncnc6c12.c1ccc8cc1.c17ccccn1.N56.C57 |
3339 | CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c15ccc(S4(=O)=O)cc1Cl.N14CCCCC1.CC3=O.N35 |
3340 | Cc1ccc(-c2csc3ncn4nnnc4c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][N][=C][N][N][=N][N][=C][Ring1][Branch1][C][Ring1][N][=Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15csc2ncn3nnnc3c12.Cc1ccc5cc1 |
3341 | Cc1nc(-c2ccccn2)nc(N2CCOCC2)c1Cl | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][Cl] | Cc1nc4nc3c1Cl.c14ccccn1.N13CCOCC1 |
3343 | COc1cccc(CC(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][=Branch1] | c15cccc7c1.c16ccc8cc1.c18csc(C)n1.C7C4=O.CO5.N46 |
3344 | CCCc1cnc(N2CCCN(C(=O)OC(C)(C)C)CC2)nc1 | [C][C][C][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2] | N16CCCN4CC1.c17cnc6nc1.C5(C)(C)C.CCC7.C34=O.O35 |
3345 | NC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][C][Ring1][S] | C14CCN3CC1.c13nccc5n1.C5(F)(F)F.NC4=O |
3347 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc(F)cc1.CC4.O34 |
3348 | COC(=O)C1=C(C)Nc2ncnn2C1c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc(F)cc1.CO3 |
3349 | COc1ccc(OC)c(Nc2nc3nonc3n3c(C)nnc23)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][C][Branch1][C][C][=N][N][=C][Ring1][=N][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c16nc2nonc2n2c(C)nnc12.c14ccc5c7c1.CO4.O5C.N67 |
3350 | CC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)n2nnnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C(c2cccnc2)n2nnnc2N1.c14ccccc1.N34 |
3351 | CC1=C(C(=O)Nc2cccnc2)C(c2cccnc2)n2nnnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C(c2cccnc2)n2nnnc2N1.c14cccnc1.N34 |
3353 | CCCc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][S][Ring2][Ring1][C] | c17nc(C)cc(C)n1.c16nnc5s1.C3(=O)C4.CCC6.N35.S47 |
3355 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccc(F)cc1.CC4.O34 |
3356 | CC(C)Sc1nnc2c3ccccc3n(C)c2n1 | [C][C][Branch1][C][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][=N][Ring1][=C] | c15nnc2c3ccccc3n(C)c2n1.CC4C.S45 |
3357 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OC)c(OC)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccc5c6c1.CC4.O34.O5C.O6C |
3358 | CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2C1c1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | C3(=O)C1=C(c2ccccc2)Nc2ncnn2C1c1cccnc1.CC4.O34 |
3359 | COC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15c(C)cccc1C.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
3360 | CCN(CC)C(=O)Cn1c(=O)oc2cc(Cl)ccc21 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O] | n16c(=O)oc2cc(Cl)ccc21.C3(=O)C6.N345.CC4.C5C |
3361 | COc1nc(Nc2ccc(F)cc2)nc(OC)n1 | [C][O][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][Ring1][O][C][=N][Ring1][S] | c13nc4nc5n1.c16ccc(F)cc1.CO3.N56.O4C |
3362 | COc1cc(NC(=O)c2ccccc2Cl)c2ncccc2c1 | [C][O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c14cc5c2ncccc2c1.c16ccccc1Cl.C36=O.CO4.N35 |
3363 | COc1cc(-c2ncc3ccccn23)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc7cc5c16.c17ncc2ccccn12.CO4.O5C.O6C |
3364 | Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CCCO3)cc12 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][Ring2][Ring1][#Branch1][=Ring1][=C] | Cc1nn8c2sc6cc12.c18ccccc1.C17CCCO1.C46=O.N45.C57 |
3365 | Cc1nn(-c2ccccc2)c2sc(C(=O)NCC(C)C)cc12 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][Ring2][Ring1][Branch1][=Ring1][N] | Cc1nn6c2sc5cc12.c16ccccc1.C4C(C)C.C35=O.N34 |
3366 | Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCC3)cc12 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][Ring2][Ring1][Branch1][=Ring1][N] | Cc1nn6c2sc5cc12.c16ccccc1.N14CCCC1.C45=O |
3371 | O=C(OCn1nnc2ccccc2c1=O)c1ccco1 | [O][=C][Branch2][Ring1][C][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][O][Ring1][Branch1] | n15nnc2ccccc2c1=O.c14ccco1.O=C34.O3C5 |
3372 | O=C(OCn1nnc2ccccc2c1=O)c1ccncc1 | [O][=C][Branch2][Ring1][C][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15nnc2ccccc2c1=O.c14ccncc1.O=C34.O3C5 |
3373 | O=C(OCn1nnc2ccccc2c1=O)c1cccnc1 | [O][=C][Branch2][Ring1][C][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15nnc2ccccc2c1=O.c14cccnc1.O=C34.O3C5 |
3374 | Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(F)cc1 | [C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1nc2cc(Cl)ccc2c(=O)n13.c13ccc(F)cc1 |
3375 | Cc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1] | n16nnc2ccccc2c1=O.Cc1ccc5cc1.C45=O.O4C6 |
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