smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C[C@H]1OC(=O)Cc2cc3c(c([O-])c21)C(=O)c1c([O-])cccc1C3=O ZINC000006093806 560205246 /nfs/dbraw/zinc/20/52/46/560205246.db2.gz QZENCFIHIPLZMU-LLVKDONJSA-N -2 3 367.313 0.889 1 10 in-vitro FCCFHL CCC[C@H]1O[C@H](CC(=O)[O-])C[C@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@@]12O ZINC000096921448 222139945 /nfs/dbraw/zinc/13/99/45/222139945.db2.gz XDYYASNFOIEXFT-LGIYFBNJSA-N -2 3 364.350 0.666 1 10 FCCFHL CCC[C@H]1O[C@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc([O-])c3C(=O)[C@@]12O ZINC000096921447 222140487 /nfs/dbraw/zinc/14/04/87/222140487.db2.gz XDYYASNFOIEXFT-KSVPUCKHSA-N -2 3 364.350 0.666 1 10 FCCFHL NC(=O)C[C@@H]1OC(=O)Cc2cc3c(c([O-])c21)C(=O)c1c([O-])cccc1C3=O ZINC000005648475 560202607 /nfs/dbraw/zinc/20/26/07/560202607.db2.gz QZENCFIHIPLZMU-NSHDSACASA-N -2 3 367.313 0.889 1 10 in-vitro FCCFHL