smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cc(Nc2ccc(Oc3ccccc3)cc2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000217757033 527459221 /nfs/dbraw/zinc/45/92/21/527459221.db2.gz UMJCMRKISSSKBP-UHFFFAOYSA-N 1 2 372.403 5.401 40 70 FKIBLO Nc1cc(Nc2ccc(Oc3ccccc3)cc2)[nH+]c(-c2ccc(F)cc2)n1 ZINC000217757033 527459216 /nfs/dbraw/zinc/45/92/16/527459216.db2.gz UMJCMRKISSSKBP-UHFFFAOYSA-N 1 2 372.403 5.401 40 70 FKIBLO