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@@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O ZINC000095911568 565179627 /nfs/dbraw/zinc/17/96/27/565179627.db2.gz MQMJAAMHVGEVTB-FWMKHJMESA-N -1 0 316.262 -1.212 1 10 biogenic,in-vitro DACFRM