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)c2c(O)c3ccc(O)c(O)c3oc-2c(CC=C(C)C)c1=O ZINC000005849308 209190849 /nfs/dbraw/zinc/19/08/49/209190849.db2.gz INSDJDFCZJWKAI-UHFFFAOYSA-N -3 2 396.439 4.741 1 30 in-vitro GJEFLL C=CC(C)(C)c1c(O)cc(O)c2c1oc1c3c(c(O)cc1c2=O)OC(C)(C)C=C3 ZINC000015121027 212117725 /nfs/dbraw/zinc/11/77/25/212117725.db2.gz VDIZUJPZYMJMRS-UHFFFAOYSA-N -2 2 394.423 4.711 1 30 GJEFLL