smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@@H]1CC[C@@H](C)c2ccc(C)[nH+]c2C1 ZINC000015265300 560229917 /nfs/dbraw/zinc/22/99/17/560229917.db2.gz RVJOTNIWFWVNRS-DGCLKSJQSA-N 1 2 215.340 4.022 1 30 biogenic,in-vitro BIEFLO