smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(OC)C(=C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O ZINC000102184654 554893785 /nfs/dbraw/zinc/89/37/85/554893785.db2.gz QTQAWLPCGQOSGP-BMBHCMFXSA-N 0 2 560.644 2.408 10 30 KEEELN