smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@H](C(=O)[O-])C(c1c(Cl)cccc1Cl)[C@@H](C#N)C(=O)[O-] ZINC000001579514 471393193 /nfs/dbraw/zinc/39/31/93/471393193.db2.gz YPZJRLVFKBMTMP-UZRSXYIYSA-N -2 2 327.123 2.526 40 30 in-vitro EFEBLL N#C[C@H](C(=O)[O-])C(c1c(Cl)cccc1Cl)[C@H](C#N)C(=O)[O-] ZINC000001579516 471393270 /nfs/dbraw/zinc/39/32/70/471393270.db2.gz YPZJRLVFKBMTMP-BQBZGAKWSA-N -2 2 327.123 2.526 40 30 in-vitro EFEBLL N#C[C@@H](C(=O)[O-])C(c1c(Cl)cccc1Cl)[C@@H](C#N)C(=O)[O-] ZINC000001579513 471394151 /nfs/dbraw/zinc/39/41/51/471394151.db2.gz YPZJRLVFKBMTMP-RNFRBKRXSA-N -2 2 327.123 2.526 40 30 in-vitro EFEBLL