smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Cl)cc(Cl)cc1/C=N/c1cccc(O)c1 ZINC000000101076 567818217 /nfs/dbraw/zinc/81/82/17/567818217.db2.gz PQSMXZWBTGBSCT-FRKPEAEDSA-N -2 0 282.126 4.155 50 30 CIEARL CCCCCCCCCCCCOP(=O)([O-])[O-] ZINC000001673633 541109253 /nfs/dbraw/zinc/10/92/53/541109253.db2.gz TVACALAUIQMRDF-UHFFFAOYSA-N -2 0 266.318 4.017 50 30 in-vivo CIEARL