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 572218038 /nfs/dbraw/zinc/21/80/38/572218038.db2.gz GTESQZFSESSTNS-UHFFFAOYSA-N 0 1 194.343 4.222 10 0 AIAEMN CC(C)c1cccc(C(C)C)c1S ZINC000034410223 343118397 /nfs/dbraw/zinc/11/83/97/343118397.db2.gz ZLUAYWRNBXHCEW-UHFFFAOYSA-N 0 1 194.343 4.222 10 0 AIAEMN