smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=Cc1c(C)c2cc3nc(cc4nc(c(CCC(=O)[O-])c4C)c4c(C(=O)OC)c([O-])c5c(C)c(cc1n2)[nH]c5=4)c(C)c3=CC ZINC000135867865 574412725 /nfs/dbraw/zinc/41/27/25/574412725.db2.gz FNZFSFLDKUIFNE-WJOKGBTCSA-N -2 1 588.664 6.860 10 5 endogenous,in-man KKBEML