smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC(C)(C)c1c([O-])cc([O-])c2c1oc(-c1ccccc1)c(O)c2=O ZINC000005950748 201057066 /nfs/dbraw/zinc/05/70/66/201057066.db2.gz VEXSVXVQCSMKRX-UHFFFAOYSA-N -2 1 338.359 4.040 10 30 in-vitro EIEEML