smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1NCc1cccc(Cl)c1[O-] ZINC000124613051 590067619 /nfs/dbraw/zinc/06/76/19/590067619.db2.gz PASRBOOEIMJCQG-UHFFFAOYSA-N -1 1 247.725 3.966 20 10 BHCDMM Cc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000124615487 590067087 /nfs/dbraw/zinc/06/70/87/590067087.db2.gz AONYVVROQYKRNI-UHFFFAOYSA-N -1 1 247.725 3.966 20 10 BHCDMM CN(Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000160198103 711806080 /nfs/dbraw/zinc/80/60/80/711806080.db2.gz JONCRBVFDIBRPM-UHFFFAOYSA-N -1 1 247.725 3.682 20 10 BHCDMM [O-]c1c(Cl)cccc1CNc1ccccc1 ZINC000162821076 634581330 /nfs/dbraw/zinc/58/13/30/634581330.db2.gz XJJHVWFSLPIPIP-UHFFFAOYSA-N -1 1 233.698 3.658 20 10 BHCDMM