smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)CC2)no1 ZINC000191153735 510525762 /nfs/dbraw/zinc/52/57/62/510525762.db2.gz VMCOZBLUFSDWQL-UHFFFAOYSA-N -1 2 354.813 2.584 10 10 FFCELM