smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@@H](O)[C@@H]2CCC[N@H+]2C1 ZINC000028955231 212117416 /nfs/dbraw/zinc/11/74/16/212117416.db2.gz LAWAARLALKUFQQ-CVDCTZTESA-N 1 1 379.456 4.030 10 5 in-vivo GIBEMO