ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
13395 | O=C(CCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][NH1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)[nH]c2ccsc2c1=O.c14ccccc1.O=C3CC5.N34 |
13396 | Cc1ccc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][NH1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=Branch1] | n16c(=O)[nH]c2ccsc2c1=O.Cc1ccc5cc1.C4(=O)CC6.N45 |
13397 | Cc1ccc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][NH1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=Branch1][C] | n16c(=O)[nH]c2ccsc2c1=O.Cc1ccc5cc1C.C4(=O)CC6.N45 |
13398 | O=C(Cn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][NH1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n15c(=O)[nH]c2ccsc2c1=O.c14ccc(F)cc1.O=C3C5.N34 |
13399 | CCOc1ccc(NC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1] | n18c(=O)[nH]c2ccsc2c1=O.c16ccc7cc1.C4(=O)C8.CC5.O56.N47 |
13400 | COc1ccc(NC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1] | n17c(=O)[nH]c2ccsc2c1=O.c15ccc6cc1.C4(=O)C7.CO5.N46 |
13401 | CCn1c(CNC(=O)C(C)(C)C)nc2ccccc21 | [C][C][N][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n15c6nc2ccccc21.C3(=O)C(C)(C)C.CC5.C46.N34 |
13403 | CCCn1c(CNC(=O)COC)nc2ccccc21 | [C][C][C][N][C][Branch1][#Branch2][C][N][C][=Branch1][C][=O][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | n16c7nc2ccccc21.C3(=O)C4.CCC6.C57.N35.O4C |
13404 | CCC(=O)NCc1nc2ccccc2n1Cc1ccccc1C | [C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c16nc2ccccc2n15.c17ccccc1C.CCC3=O.N34.C46.C57 |
13405 | CC(=O)NCc1nc2ccccc2n1Cc1c(F)cccc1Cl | [C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c16nc2ccccc2n15.c17c(F)cccc1Cl.CC3=O.N34.C46.C57 |
13406 | CCC(=O)NCc1nc2ccccc2n1Cc1ccccc1F | [C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16nc2ccccc2n15.c17ccccc1F.CCC3=O.N34.C46.C57 |
13408 | C=C(C)Cn1c(CNC(=O)c2cccs2)nc2ccccc21 | [C][=C][Branch1][C][C][C][N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | n16c7nc2ccccc21.c15cccs1.C=C(C)C6.C35=O.C47.N34 |
13409 | COc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c19nc2ccccc2[nH]1.c15ccc8cc16.C48=O.CO5.N47.C79.O6C |
13410 | O=C(NCc1nc2ccccc2[nH]1)c1cccs1 | [O][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] | c16nc2ccccc2[nH]1.c15cccs1.O=C35.N34.C46 |
13411 | CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1C | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c15nc2ccccc2n1C.C3(=O)C(C)(C)C.CC45.N34 |
13412 | Cc1cc(NCc2ccncc2)ccc1Br | [C][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Br] | Cc1cc4ccc1Br.c15ccncc1.N34.C35 |
13413 | Cc1cccc(C(=O)NC(C)c2nc3ccccc3n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c17nc2ccccc2n1C.Cc1cccc6c1.C46=O.C57C.N45 |
13414 | Cc1cc(Br)ccc1NCc1cccnc1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1cc(Br)ccc13.c14cccnc1.N23.C24 |
13415 | CC(NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c16nc2ccccc2n1C.c15ccc(F)cc1.CC46.C35=O.N34 |
13416 | COc1ccc(C(=O)NC(C)c2nc3ccccc3n2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Branch1][O][C] | c19nc2ccccc2n1C.c15ccc8cc16.C48=O.C79C.CO5.N47.O6C |
13417 | CCCC(=O)NC(C)c1nc2ccccc2n1CC | [C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C] | c16nc2ccccc2n15.CCCC3=O.C46C.N34.C5C |
13418 | CCn1c(C(C)NC(=O)C(C)(C)C)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | n15c6nc2ccccc21.C3(=O)C(C)(C)C.C46C.CC5.N34 |
13419 | CCOC(=O)Cc1nnc2c3ccccc3n(C)c2n1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][=N][Ring1][=C] | c16nnc2c3ccccc3n(C)c2n1.C4(=O)C6.CC5.O45 |
13420 | CCn1c(C(C)NC(=O)COC)nc2ccccc21 | [C][C][N][C][Branch1][=N][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n16c7nc2ccccc21.C3(=O)C4.C57C.CC6.N35.O4C |
13421 | CCn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | n16c7nc2ccccc21.c15ccccc1.C47C.C35=O.CC6.N34 |
13422 | CCn1c(C(C)NC(=O)c2ccc(F)cc2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n16c7nc2ccccc21.c15ccc(F)cc1.C47C.C35=O.CC6.N34 |
13423 | CCCn1c(C(C)NC(=O)CC)nc2ccccc21 | [C][C][C][N][C][Branch1][N][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | n15c6nc2ccccc21.C3(=O)CC.CCC5.C46C.N34 |
13424 | CCCC(=O)NC(C)c1nc2ccccc2n1CCC | [C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C] | c16nc2ccccc2n15.CCCC3=O.C46C.C5CC.N34 |
13425 | CCCn1c(C(C)NC(=O)COC)nc2ccccc21 | [C][C][C][N][C][Branch1][=N][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n16c7nc2ccccc21.C3(=O)C4.CCC6.C57C.N35.O4C |
13427 | CCCC(=O)NC(C)c1nc2ccccc2n1C(C)C | [C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C] | c16nc2ccccc2n15.CCCC3=O.C46C.C5(C)C.N34 |
13428 | CC(NC(=O)c1ccccc1)c1nc2ccccc2n1C(C)C | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C] | c17nc2ccccc2n16.c15ccccc1.CC47.C35=O.C6(C)C.N34 |
13429 | CC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1C | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c16nc2ccccc2n15.c17ccccc1C.CC3=O.C46C.N34.C57 |
13430 | COCC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1C | [C][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c17nc2ccccc2n16.c18ccccc1C.C4C3=O.C57C.CO4.N35.C68 |
13431 | CC(=O)NC(C)c1nc2ccccc2n1Cc1cc(C)ccc1C | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | c16nc2ccccc2n15.c17cc(C)ccc1C.CC3=O.C46C.N34.C57 |
13432 | CC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1F | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16nc2ccccc2n15.c17ccccc1F.CC3=O.C46C.N34.C57 |
13433 | CCC(=O)NC(C)c1nc2ccccc2n1CC(C)C | [C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][C][C] | c16nc2ccccc2n15.CCC3=O.C5C(C)C.C46C.N34 |
13434 | C=CCn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21 | [C][=C][C][N][C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | n16c7nc2ccccc21.c15ccccc1.C=CC6.C47C.C35=O.N34 |
13435 | CC(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.c15ccccc1.CC46.C35=O.N34 |
13436 | CC(NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.c15ccc(F)cc1.CC46.C35=O.N34 |
13437 | CC(NC(=O)c1c(F)cccc1F)c1nc2ccccc2[nH]1 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.c15c(F)cccc1F.CC46.C35=O.N34 |
13438 | COc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O][C] | c19nc2ccccc2[nH]1.c15ccc8cc16.C48=O.C79C.CO5.N47.O6C |
13439 | Cc1cc(OC(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCC3 | [C][C][=C][C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][#Branch2] | Cc1cc5c2c3c(c(=O)oc2c1)CCC3.c16ccco1.C46=O.O45 |
13440 | Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 | [C][N][C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | Cn1c5nc2ccccc21.C3(=O)C(C)(C)C.C5C4.N34 |
13441 | Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21 | [C][N][C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1c6nc2ccccc21.c15ccccc1.C6C4.C35=O.N34 |
13442 | Cc1cccc(C(=O)NCCc2nc3ccccc3n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c17nc2ccccc2n1C.Cc1cccc6c1.C46=O.C5C7.N45 |
13443 | Cn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 | [C][N][C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1c5nc2ccccc21.c16ccccc1.C3(=O)C6.C5C4.N34 |
13444 | Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 | [C][N][C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1c6nc2ccccc21.c15ccc(Cl)cc1.C6C4.C35=O.N34 |
13445 | Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 | [C][N][C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1c6nc2ccccc21.c15ccc(F)cc1.C6C4.C35=O.N34 |
13446 | COc1ccccc1C(=O)NCCc1nc2ccccc2n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c17nc2ccccc2n1C.c14ccccc16.C36=O.C5C7.CO4.N35 |
13447 | COc1ccc(C(=O)NCCc2nc3ccccc3n2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Branch1][O][C] | c19nc2ccccc2n1C.c15ccc8cc16.C48=O.C7C9.CO5.N47.O6C |
13448 | CCCC(=O)NCCc1nc2ccccc2n1CC | [C][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C] | c16nc2ccccc2n15.CCCC3=O.C4C6.N34.C5C |
13449 | CCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 | [C][C][N][C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | n15c6nc2ccccc21.C3(=O)C(C)(C)C.C6C4.CC5.N34 |
13450 | CCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 | [C][C][N][C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | n16c7nc2ccccc21.c15ccccc1.C7C4.C35=O.CC6.N34 |
13451 | CCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n16c7nc2ccccc21.c15cccc(C)c1.C7C4.C35=O.CC6.N34 |
13452 | CCn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 | [C][C][N][C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15c6nc2ccccc21.c17ccccc1.C3(=O)C7.C6C4.CC5.N34 |
13453 | CCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n16c7nc2ccccc21.c15ccc(F)cc1.C7C4.C35=O.CC6.N34 |
13454 | CCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 | [C][C][C][N][C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | n16c7nc2ccccc21.c15ccccc1.CCC6.C7C4.C35=O.N34 |
13455 | CCCn1c(CCNC(=O)c2cccs2)nc2ccccc21 | [C][C][C][N][C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n16c7nc2ccccc21.c15cccs1.CCC6.C7C4.C35=O.N34 |
13456 | CCC(=O)NCCc1nc2ccccc2n1C(C)C | [C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C] | c16nc2ccccc2n15.CCC3=O.C4C6.C5(C)C.N34 |
13457 | CC(=O)NCCc1nc2ccccc2n1Cc1ccccc1C | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c16nc2ccccc2n15.c17ccccc1C.CC3=O.C4C6.N34.C57 |
13458 | CC(=O)NCCc1nc2ccccc2n1Cc1cc(C)ccc1C | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | c16nc2ccccc2n15.c17cc(C)ccc1C.CC3=O.C4C6.N34.C57 |
13459 | CC(=O)NCCc1nc2ccccc2n1Cc1ccccc1F | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16nc2ccccc2n15.c17ccccc1F.CC3=O.C4C6.N34.C57 |
13460 | CCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1F | [C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16nc2ccccc2n15.c17ccccc1F.CCC3=O.C4C6.N34.C57 |
13461 | CC(=O)NCCc1nc2ccccc2n1CC(C)C | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][C][C] | c16nc2ccccc2n15.C5C(C)C.CC3=O.C4C6.N34 |
13462 | C=CCn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 | [C][=C][C][N][C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15c6nc2ccccc21.c17ccccc1.C3(=O)C7.C=CC5.C6C4.N34 |
13463 | C=CCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 | [C][=C][C][N][C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n16c7nc2ccccc21.c15ccc(F)cc1.C=CC6.C7C4.C35=O.N34 |
13465 | O=C(COc1ccccc1F)n1nnc2ccccc21 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=C(C3)n1nnc2ccccc21.c14ccccc1F.O34 |
13466 | COc1ccc(Nc2nc(C)cc(C)c2C(N)=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15nc(C)cc(C)c17.c13ccc6c4c1.C7(N)=O.CO3.N56.O4C |
13467 | CCn1c(C(Cc2ccccc2)NC(=O)COC)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Branch1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | n16c7nc2ccccc21.c18ccccc1.C57C8.C3(=O)C4.CC6.N35.O4C |
13468 | CCCn1c(C(Cc2ccccc2)NC(C)=O)nc2ccccc21 | [C][C][C][N][C][Branch2][Ring1][Ring1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15c6nc2ccccc21.c17ccccc1.C46C7.CCC5.C3(C)=O.N34 |
13471 | CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(OC)c1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c18[nH]c2ccccc2c17.c19cccc6c1.C38=O.C49=O.CC5.O35.N47.O6C |
13472 | CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c15ccccc1.CN23.C24=O.C35 |
13474 | CCC(C)NC(=O)c1ccc(NC(=O)C2CCCO2)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc6cc1.C17CCCO1.CCC5C.C38=O.C47=O.N35.N46 |
13475 | O=C(NC1CCCC1)c1ccc(NC(=O)C2CCCO2)cc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc5cc1.C16CCCC1.C17CCCO1.O=C38.C47=O.N36.N45 |
13476 | CCc1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c1%10ccc6cc1.c19ccc7cc1.C18CCCO1.C49=O.C58=O.CC%10.N46.N57 |
13477 | Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc%10cc1.c19ccc7cc1.C18CCCO1.C49=O.C58=O.C6%10.N46.N57 |
13478 | Cc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCO2)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | Cc1ccccc15.c18ccc6cc1.C17CCCO1.C38=O.C47=O.N35.N46 |
13479 | O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)C2CCCO2)cc1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | c19ccc(F)cc1.c18ccc6cc1.C17CCCO1.O=C38.C47=O.N35.C59.N46 |
13480 | CCc1cccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | c1%10cccc6c1.c19ccc7cc1.C18CCCO1.C49=O.C58=O.CC%10.N46.N57 |
13481 | O=C(NCc1cccs1)c1ccc(NC(=O)C2CCCO2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc6cc1.c19cccs1.C17CCCO1.O=C38.C47=O.N35.C59.N46 |
13482 | O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)C2CCCO2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc(F)cc1.c18ccc6cc1.C17CCCO1.O=C38.C47=O.N35.N46 |
13483 | CCc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | S4(=O)(=O)c1ccc2[nH]c(=O)sc2c1.c16cccc5c1.CC6.N45 |
13484 | NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | NS(=O)(=O)c1ccc4cc1.c15ccc(Cl)cc1Cl.C35=O.N34 |
13486 | COc1ccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | C4(=O)CS(=O)(=O)c1c[nH]c2ccccc12.c15ccc6cc1.CO5.N46 |
13487 | O=C(CS(=O)(=O)c1c[nH]c2ccccc12)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=C3CS(=O)(=O)c1c[nH]c2ccccc12.c14ccc(F)cc1.N34 |
13488 | Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | C4(=O)CS(=O)(=O)c1c[nH]c2ccccc12.Cc1ccc(C)c5c1.N45 |
13489 | Cc1ccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | C4(=O)CS(=O)(=O)c1c[nH]c2ccccc12.Cc1ccc5c(C)c1.N45 |
13490 | O=C(CS(=O)(=O)c1c[nH]c2ccccc12)NC1CCCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | O=C3CS(=O)(=O)c1c[nH]c2ccccc12.C14CCCCC1.N34 |
13491 | Cn1cc(S(=O)(=O)CC(=O)N2CCCCCC2)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | Cn1cc(S(=O)(=O)CC3=O)c2ccccc21.N13CCCCCC1 |
13493 | Cn1cc(S(=O)(=O)CC(=O)N2CCOCC2)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1cc(S(=O)(=O)CC3=O)c2ccccc21.N13CCOCC1 |
13494 | COc1cc2c(cc1OC)CN(C(=O)c1ccco1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][P] | c14cc2c(cc15)CN3CC2.c16ccco1.C36=O.CO4.O5C |
13498 | COC(=O)C=c1sc2nc(=O)c(C)nn2c1=O | [C][O][C][=Branch1][C][=O][C][=C][S][C][=N][C][=Branch1][C][=O][C][Branch1][C][C][=N][N][Ring1][Branch2][C][Ring1][O][=O] | C3(=O)C=c1sc2nc(=O)c(C)nn2c1=O.CO3 |
13501 | COc1cc2[nH]c(=O)n(CCCC(=O)NC3CC3)c(=O)c2cc1OC | [C][O][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][=C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc2[nH]c(=O)n8c(=O)c2cc16.C8CCC4=O.C17CC1.CO5.N47.O6C |
13502 | O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCCC1 | [O][=C][Branch1][P][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | n16ccc2ccccc2c1=O.C5CC4=O.N14CCCC1.O=C3C6.N35 |
13504 | COc1cc2c(cc1OC)C(C(Cl)(Cl)Cl)OC(=O)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][O][C][=Branch1][C][=O][C][Ring1][#C] | c13cc2c(cc14)C(C(Cl)(Cl)Cl)OC(=O)C2.CO3.O4C |
13505 | Cc1cc(C)n(CC(O)COc2ccccc2Br)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][P][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][=Ring2][Ring1][C] | Cc1cc(C)n5n1.c14ccccc1Br.C5C(O)C3.O34 |
13507 | Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3[nH]2)n1 | [C][C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=Ring2][Ring1][=Branch1] | c17nc2ccccc2[nH]1.Cc1cc5n7n1.c16cccs1.C46=O.N45 |
13508 | Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc3ccccc3[nH]2)n1 | [C][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=Ring2][Ring1][Branch2] | c17nc2ccccc2[nH]1.Cc1cc5n7n1.c16ccc(F)cc1.C46=O.N45 |
13509 | Cc1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Ring1][C] | C14(C#N)C(=O)Nc2ccccc21.Cc1ccc5cc1C.N45 |
13510 | COc1ccccc1NC1(C#N)C(=O)Nc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | C14(C#N)C(=O)Nc2ccccc21.c13ccccc15.CO3.N45 |
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