smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(SC)cc1S 71792093 168256823 /nfs/dbraw/zinc/25/68/23/168256823.db2.gz MWTBGEISMVEHJC-UHFFFAOYSA-N 0 2 186.301 2.706 30 0 AFACLN CC(C)Oc1ccccc1S 39198706 343205819 /nfs/dbraw/zinc/20/58/19/343205819.db2.gz XGMRHSDVJHSXPS-UHFFFAOYSA-N 0 2 168.261 2.763 30 0 AFACLN