smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1([O-])CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000040434026 717127510 /nfs/dbraw/zinc/12/75/10/717127510.db2.gz MSFDRSZROUKKAE-ZMFCNJQGSA-N 0 0 373.456 4.405 1 50 FIGFRN C[N@+]1([O-])CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000253633713 717166338 /nfs/dbraw/zinc/16/63/38/717166338.db2.gz MSFDRSZROUKKAE-NGMZNZPNSA-N 0 0 373.456 4.405 1 50 FIGFRN C[N@@+]1([O-])CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000253633715 717166218 /nfs/dbraw/zinc/16/62/18/717166218.db2.gz MSFDRSZROUKKAE-SGKLPJTKSA-N 0 0 373.456 4.405 1 50 FIGFRN C[N@+]1([O-])CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000253633712 717166239 /nfs/dbraw/zinc/16/62/39/717166239.db2.gz MSFDRSZROUKKAE-GWLSYYLCSA-N 0 0 373.456 4.405 1 50 FIGFRN C[N+]1([O-])CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000040434028 717127453 /nfs/dbraw/zinc/12/74/53/717127453.db2.gz MSFDRSZROUKKAE-BIJUTJOUSA-N 0 0 373.456 4.405 1 50 FIGFRN C[N@@+]1([O-])CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000253633711 717166285 /nfs/dbraw/zinc/16/62/85/717166285.db2.gz MSFDRSZROUKKAE-CJTVZHHNSA-N 0 0 373.456 4.405 1 50 FIGFRN