smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=S)[nH]c([O-])c1C=Nc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1O ZINC000095471016 569371841 /nfs/dbraw/zinc/37/18/41/569371841.db2.gz ZVSANMZDQMKDPP-UHFFFAOYSA-N -1 2 432.443 -0.954 50 10 IBCALM