smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@]1(C(=O)Nc2ccccc2)C(=O)N(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2c1c1ccccc1c1cc(F)ccc21 ZINC000077271857 553656708 /nfs/dbraw/zinc/65/67/08/553656708.db2.gz VZMOLSLRYYJXJV-JJWUTGECSA-N -1 0 572.633 4.988 10 5 in-vitro KJBERM CC(C)[C@]1(C(=O)Nc2ccccc2)C(=O)N(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2c1c1ccccc1c1cc(F)ccc21 ZINC000077271862 553656697 /nfs/dbraw/zinc/65/66/97/553656697.db2.gz VZMOLSLRYYJXJV-CURJATOHSA-N -1 0 572.633 4.988 10 5 in-vitro KJBERM