smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc([S-])c(C(C)C)c1 ZINC000020431093 572218035 /nfs/dbraw/zinc/21/80/35/572218035.db2.gz GTESQZFSESSTNS-UHFFFAOYSA-N -1 0 194.343 4.222 10 0 AIAERM CC(C)c1cccc(C(C)C)c1[S-] ZINC000034410223 343118394 /nfs/dbraw/zinc/11/83/94/343118394.db2.gz ZLUAYWRNBXHCEW-UHFFFAOYSA-N -1 0 194.343 4.222 10 0 AIAERM