smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(Cc2c([O-])c(CN3CCN(C)CC3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2[O-])CC1 ZINC000150339332 571457370 /nfs/dbraw/zinc/45/73/70/571457370.db2.gz OFKXUVPCDIHNPX-AWGHMAJYSA-N -2 3 656.733 -0.455 40 10 KBCBHL