ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
272 | O=C(NCc1ccccc1)c1c[nH]c2c(F)cccc2c1=O | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O] | c15c[nH]c2c(F)cccc2c1=O.c16ccccc1.O=C35.N34.C46 |
273 | CC(C)c1cccc(C(C)C)c1NCc1ccccn1 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15cccc6c13.c14ccccn1.CC5C.C6(C)C.N23.C24 |
274 | CC1CCC(NC(=O)c2cc3ccccc3o2)CC1 | [C][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring2][Ring1][C] | c16cc2ccccc2o1.CC1CCC5CC1.C46=O.N45 |
275 | COc1ccc2[nH]cc(CCNC(=O)c3ccco3)c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2[nH]cc8c2c1.c17ccco1.C8C6.C47=O.CO5.N46 |
276 | COc1ccc2[nH]cc(CCNC(=O)C3CCCO3)c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2[nH]cc8c2c1.C17CCCO1.C8C6.C47=O.CO5.N46 |
279 | CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CCN(C(C)=O)C2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=C][Ring1][O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][=Branch2] | c19c7sc2c1CCN5C2.C39=O.C48=O.C18CC1.C5(C)=O.CC6.O36.N47 |
281 | O=C(Nc1ccnc2[nH]ncc12)c1ccccc1Cl | [O][=C][Branch1][#C][N][C][=C][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccnc2[nH]ncc12.c15ccccc1Cl.O=C35.N34 |
282 | CC(C)Oc1ccccc1C(=O)Nc1ccnc2[nH]ncc12 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1] | c16ccnc2[nH]ncc12.c15ccccc17.CC4C.C37=O.O45.N36 |
283 | Cn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1 | [C][N][N][=N][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cn1nnc4n1.c15ccccc1.c16ccccc1.C3(=O)C56.N34 |
284 | CCOC(=O)Cn1nc(C(F)(F)F)c(Br)c1C | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Br][=C][Ring1][#Branch2][C] | n14nc5c(Br)c1C.C2(=O)C4.C5(F)(F)F.CC3.O23 |
285 | O=C(COc1ccc(Cl)cc1Cl)Nc1nccs1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=N][C][=C][S][Ring1][Branch1] | c14ccc(Cl)cc1Cl.c15nccs1.O=C2C3.O34.N25 |
287 | CC(C)Nc1nc(NC(C)C)nc(N(C)C(N)=O)n1 | [C][C][Branch1][C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][N][=O][=N][Ring1][#C] | c15nc6nc7n1.CC3C.C4(C)C.N27C.C2(N)=O.N35.N46 |
288 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1C(F)(F)F | [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][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | C2(=O)C1=C(C)NC(=O)NC15.c15ccccc14.C4(F)(F)F.CC3.O23 |
289 | CC(=O)N1c2ccccc2C(Nc2ccccc2)CC1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][C] | N13c2ccccc2C(N4)CC1C.c14ccccc1.CC3=O |
291 | CCC(=O)NC1CC(C(C)(C)NC(=O)CC)CC=C1C | [C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][Ring1][=C][C] | C15CC6CC=C1C.CCC2=O.C46(C)C.C3(=O)CC.N25.N34 |
292 | Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 | [N][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][Branch1][C][O][=C][Ring1][P] | c14nc2cc(Cl)ccc2o1.Nc1ccc4c(O)c1 |
293 | O=C(NCc1ccccn1)c1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.c15ccccn1.O=C24.N23.C35 |
295 | NC(=O)c1c(NC(=O)C2CC3CCC2C3)sc2c1CCCC2 | [N][C][=Branch1][C][=O][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][S][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1] | c17c5sc2c1CCCC2.C16CC2CCC1C2.NC7=O.C46=O.N45 |
300 | Cc1ccccc1OCC(=O)Nn1nnnc1Nc1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][N][N][=N][N][=C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2C(=O)Nn1nnnc14.Cc1ccccc13.c15ccccc1.O23.N45 |
302 | Cc1cc(-c2ccccc2)n2[nH]c(=O)c(Br)c2n1 | [C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][NH1][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=Ring1][P] | Cc1cc3n2[nH]c(=O)c(Br)c2n1.c13ccccc1 |
303 | CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C][C][=Branch1][C][=O][O][C] | c18c(C)sc5c17.c16cccs1.C46=O.C37=O.CC8.N45.O3C |
304 | CCc1c(C)sc(NC(=O)c2ccncc2)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][=Branch1][C][=O][O][C] | c18c(C)sc5c17.c16ccncc1.C46=O.C37=O.CC8.N45.O3C |
305 | N#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N | [N][#C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Ring1][N] | N#Cc1c4cc3c(C#N)c1N.c14ccccc1.c13ccco1 |
307 | O=C(COc1ccc(Cl)cc1Cl)N1CCOCC1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc(Cl)cc1Cl.N12CCOCC1.O=C2C3.O34 |
308 | CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1O | [C][C][=Branch1][C][=O][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][P][O] | C16C5OC7C(O)C1O.c18ccccc1.CC3=O.N36.O45.C48.C7O |
311 | Cc1nn(-c2ccccc2)c2nc3c(nc12)c(C)nn3-c1ccccc1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][#Branch1][N][=C][Ring1][#C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nn4c2nc3c(nc12)c(C)nn35.c14ccccc1.c15ccccc1 |
312 | Cc1ccc(NC(=O)COc2ccccc2)cc1F | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][F] | Cc1ccc6cc1F.c15ccccc1.C3(=O)C4.N36.O45 |
315 | CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc(S5(=O)=O)cc1.c17ccccc1.CC3=O.N36.N45.C47 |
317 | NS(=O)(=O)c1ccc(NC(=O)C2CC2c2ccccc2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc4cc1.c16ccccc1.C15CC16.C35=O.N34 |
318 | O=C(Nc1cnn(Cc2ccc(F)cc2)c1)C1CC1c1ccccc1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc(F)cc1.c14cnn6c1.c18ccccc1.C15CC18.O=C35.N34.C67 |
325 | CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c16cc(Cl)ccc1Cl.c15ccc7cc1.CC3=O.C47=O.N35.N46 |
326 | CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c16ccc(Cl)cc1Cl.c15ccc7cc1.CC3=O.C47=O.N35.N46 |
327 | O=C(Nc1ccc(F)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C] | c16ccc(F)cc1.c17ccc8cc1.N15CCCCC1.O=C34.C58=O.N36.N47 |
328 | O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(Cl)c1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14ccccc16.c15cccc(Cl)c1.N13CCCCC1.O=C25.C36=O.N24 |
329 | C=CCn1c(SCC(=O)OC)nc2ccccc2c1=O | [C][=C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n15c6nc2ccccc2c1=O.C4C3=O.C=CC5.S46.O3C |
330 | Cc1c(NC(=O)c2cc[nH]n2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] | Cc1c4c(=O)n6n1C.c16ccccc1.c15cc[nH]n1.C35=O.N34 |
331 | CC(=O)c1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C][=C][Ring2][Ring1][C] | c16c(C)cc(=O)oc1C.c15ccc4cc1.CC5=O.C36=O.N34 |
332 | CN(C(=O)c1ccc(F)cc1)c1ccccc1C(=O)N1CCOCC1 | [C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(F)cc1.c14ccccc16.N13CCOCC1.CN24.C25=O.C36=O |
333 | CCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2ccccc2c(=O)n16.c16ccccc1.C3(=O)C5.CC4.O34.S57 |
334 | NC(=O)CSc1nnc(SCc2ccccc2)s1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | c16nnc7s1.c15ccccc1.NC(=O)C3.S36.S47.C45 |
335 | CCOC(=O)c1c(C)[nH]c(C)c1-c1ccccc1OC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c15c(C)[nH]c(C)c16.c16ccccc14.C25=O.CC3.O23.O4C |
336 | Nc1nc(CSc2ccccn2)nc(Nc2ccccc2)n1 | [N][C][=N][C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Nc1nc4nc6n1.c17ccccn1.c15ccccc1.C36.S37.N45 |
337 | Cc1ccc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.C16CCCN14.C4(=O)C(C)(C)C.C36=O.N35 |
338 | CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][#C][C][Branch1][C][C][C] | S4(=O)(=O)c1ccc(C)cc1.N13CCN4C15.CC3=O.C5(C)C |
340 | O=C(NCC1CCCO1)c1ccc(NC(=O)c2cccs2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc6cc1.C19CCCO1.c17cccs1.O=C38.C47=O.N35.C59.N46 |
341 | CCC(C)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][C] | n14nc5c(Cl)c1C.CCC3C.C2(=O)C4.C5(F)(F)F.N23 |
342 | NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S3(=O)(=O)c1ccc(Br)cc1.C14CCN3CC1.NC4=O |
343 | COC(=O)Cn1c(C(O)c2ccccc2)nc2ccccc21 | [C][O][C][=Branch1][C][=O][C][N][C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n14c5nc2ccccc21.c16ccccc1.C3(=O)C4.C56O.CO3 |
344 | CC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][P][Ring1][#Branch1] | c13c(C)n4c2ccc(O)cc12.c15ccco1.CC3=O.C45 |
345 | O=C(CSc1nnc2n1CCCCC2)Nc1ccc(F)cc1 | [O][=C][Branch1][P][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16nnc2n1CCCCC2.c15ccc(F)cc1.O=C3C4.S46.N35 |
346 | Cc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=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][O][C][=C][Ring2][Ring1][#Branch1] | c14nc2c(c(=O)n(C)c(=O)n2C)n16.Cc1ccc5cc1.C6CO.N45 |
347 | O=C1COc2ccc(C(=O)c3ccccc3)cc2CN1 | [O][=C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][N][Ring2][Ring1][Ring1] | O=C1COc2ccc4cc2CN1.c15ccccc1.C45=O |
349 | Nc1ncnc2[nH]c(SCC(=O)NCc3ccco3)nc12 | [N][C][=N][C][=N][C][NH1][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring2][Ring1][Ring2][=Ring1][S] | Nc1ncnc2[nH]c8nc12.c17ccco1.C6C4=O.S68.N45.C57 |
350 | Nc1ncnc2[nH]c(Sc3ncnc4ccccc34)nc12 | [N][C][=N][C][=N][C][NH1][C][Branch1][S][S][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring2][=Ring1][S] | Nc1ncnc2[nH]c5nc12.c16ncnc2ccccc12.S56 |
351 | N#Cc1cn(CC(=O)NC2CCCCCC2)c2ccccc12 | [N][#C][C][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | N#Cc1cn5c2ccccc12.C14CCCCCC1.C5C3=O.N34 |
352 | N#Cc1cn(CC(=O)NCc2ccccc2)c2ccccc12 | [N][#C][C][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | N#Cc1cn5c2ccccc12.c16ccccc1.C5C3=O.N34.C46 |
353 | Cc1c(C#N)c2ccccc2n1CC(=O)NCC1CCCO1 | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | Cc1c(C#N)c2ccccc2n15.C16CCCO1.C5C3=O.N34.C46 |
354 | Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccco1 | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1c(C#N)c2ccccc2n15.c16ccco1.C5C3=O.N34.C46 |
355 | Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccccc1 | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c(C#N)c2ccccc2n15.c16ccccc1.C5C3=O.N34.C46 |
356 | Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2 | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | Cc1c(C#N)c2ccccc2n15.c16ccc2c(c1)OCO2.C5C3=O.N34.C46 |
357 | Cc1c(C#N)c2ccccc2n1CC(=O)N1CCOCC1 | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1c(C#N)c2ccccc2n14.N13CCOCC1.C4C3=O |
359 | O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccnc1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc6cc1.c18cccnc1.c17cccs1.O=C38.C47=O.N35.N46 |
361 | Cc1cccc(OCC(=O)NCc2cccnc2)c1C | [C][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C] | Cc1cccc5c1C.c17cccnc1.C4C3=O.O45.N36.C67 |
364 | N#Cc1c(N)c(C#N)c(-c2ccc(O)cc2)c2c1CCCC2 | [N][#C][C][=C][Branch1][C][N][C][Branch1][Ring1][C][#N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][C][C][C][Ring1][=Branch1] | N#Cc1c(N)c(C#N)c3c2c1CCCC2.c13ccc(O)cc1 |
366 | CCCN(CCC)S(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc6cc1.CCC3.N345.C4CC.C2(C)=O.N26 |
367 | CCC(CO)NS(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][C][C][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S4(=O)(=O)c1ccc5cc1.CCC3CO.C2(C)=O.N34.N25 |
368 | CC(=O)Nc1ccc(S(=O)(=O)N(C)CCO)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][=C][Ring1][=C] | c15ccc(S4(=O)=O)cc1.CC2=O.N34C.C3CO.N25 |
370 | CC1CCN(C(=O)c2ccccc2Br)CC1 | [C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][Ring1][#C] | CC1CCN3CC1.c14ccccc1Br.C34=O |
371 | COc1ccc(CC(=O)N(C)C2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc6cc1.C15CCCCC1.C6C3=O.N35C.CO4 |
372 | O=C(c1cccnc1)N(Cc1ccccc1)Cc1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccnc1.c16ccccc1.c17ccccc1.O=C25.N234.C36.C47 |
373 | O=C(c1cccc(C(=O)N2CCCC2)c1)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | c15cccc6c1.N14CCCC1.N13CCCC1.O=C35.C46=O |
374 | CC1CCCCN1C(=O)c1ccc(C(=O)N2CCCCC2C)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][#C] | CC1CCCCN13.c15ccc6cc1.N14CCCCC1C.C35=O.C46=O |
375 | CN(C1CCCCC1)S(=O)(=O)c1ccccc1 | [C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S2(=O)(=O)c1ccccc1.C13CCCCC1.CN23 |
376 | CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(Cl)cc1.CC1CCCCN12 |
378 | COc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc(S4(=O)=O)cc1.C15CCCCC1.N45C.CO3 |
379 | CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 | [C][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] | S4(=O)(=O)c1ccc2cc1.c15ccccc1.N345.CC3.O2C |
381 | Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(F)cc1.Cc1ccccc13.N23 |
382 | O=S(=O)(NCCc1ccccc1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(F)cc1.c14ccccc1.C2C4.N23 |
383 | CC1CCCCN1S(=O)(=O)c1ccc(F)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(F)cc1.CC1CCCCN12 |
385 | O=C(c1ccc(Cl)cc1)N1CCc2ccccc2C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccc(Cl)cc1.O=C34 |
386 | CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c16ccc3cc1.c17ccccc1.N245.C26=O.CC4.C57.O3C |
387 | CCN(C(=O)c1ccc(OC)cc1)C1CCCCC1 | [C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1] | c16ccc3cc1.C15CCCCC1.N245.C26=O.CC4.O3C |
388 | O=C(c1ccccc1Cl)N1CCc2ccccc2C1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccccc1Cl.O=C34 |
389 | O=C(NCc1ccccn1)c1ccc(Cl)cc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.c15ccccn1.O=C24.N23.C35 |
390 | O=C(NCC1CCCO1)c1ccc(Cl)cc1Cl | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.C15CCCO1.O=C24.N23.C35 |
391 | COc1ccc(CNC(=O)c2ccccc2Br)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][P] | c14ccc7cc1.c16ccccc1Br.C36=O.CO4.C57.N35 |
392 | COc1ccccc1CNC(=O)c1ccccc1Br | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c13ccccc16.c15ccccc1Br.C25=O.CO3.C46.N24 |
393 | CC1CCCN(C(=O)c2ccccc2Br)C1 | [C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring1][#C] | CC1CCCN3C1.c14ccccc1Br.C34=O |
394 | CC1CC(C)CN(C(=O)c2ccccc2Br)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring1][S] | CC1CC(C)CN3C1.c14ccccc1Br.C34=O |
395 | O=C(c1ccccc1Br)N1CCCCC1CO | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][C][C][C][Ring1][=Branch1][C][O] | c13ccccc1Br.N12CCCCC14.O=C23.C4O |
398 | COc1ccc(CC(=O)N(C)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc6cc1.c15ccccc1.C6C3=O.N35C.CO4 |
399 | COc1ccc(CC(=O)N2CC(C)CC(C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][P] | N13CC(C)CC(C)C1.c14ccc5cc1.C5C3=O.CO4 |
400 | CCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring1] | c19c6cccc17.c15ccc8cc1.C39=O.CC4.O45.N38.O6C.O7C |
401 | COc1ccc(CNC(=O)c2c(OC)cccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2] | c18c5cccc16.c14ccc9cc1.C38=O.CO4.C79.N37.O5C.O6C |
402 | COc1cccc(OC)c1C(=O)N(Cc1ccccc1)C(C)C | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | c13cccc4c17.c18ccccc1.C27=O.N256.C6(C)C.CO3.O4C.C58 |
403 | COc1cccc(OC)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | c14cccc5c17.N13CCN6CC1.c16ccc(F)cc1.C37=O.CO4.O5C |
404 | C=CCN(CC=C)C(=O)c1c(OC)cccc1OC | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C] | c17c3cccc14.C=CC5.N256.C6C=C.C27=O.O3C.O4C |
406 | O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cc5ccc1Cl.c14cccnc1.C5(F)(F)F.O=C24.N23 |
408 | O=C(Nc1cc(Cl)ccc1Cl)c1cccnc1 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cc(Cl)ccc1Cl.c14cccnc1.O=C24.N23 |
410 | O=C(Nc1cc(Cl)cc(Cl)c1)c1cccnc1 | [O][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cc(Cl)cc(Cl)c1.c14cccnc1.O=C24.N23 |
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