smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2-c2c1cc([O-])c1ccccc21 ZINC000000487753 387488760 /nfs/dbraw/zinc/48/87/60/387488760.db2.gz CMGHSVGJLXOGMT-UHFFFAOYSA-N -1 3 246.265 3.757 50 10 BHCAHM [O-]c1ccc(Cl)cc1CNc1ccccc1 ZINC000019879465 183272956 /nfs/dbraw/zinc/27/29/56/183272956.db2.gz XVJFPGCDFSGVRA-UHFFFAOYSA-N -1 3 233.698 3.658 50 10 BHCAHM Cc1ccc(NCc2cc(Cl)ccc2[O-])cc1 ZINC000019964486 342965357 /nfs/dbraw/zinc/96/53/57/342965357.db2.gz DRDMVHBANUKDEK-UHFFFAOYSA-N -1 3 247.725 3.966 50 10 BHCAHM Cc1ccccc1NCc1cc(Cl)ccc1[O-] ZINC000019965047 179305792 /nfs/dbraw/zinc/30/57/92/179305792.db2.gz JBVUIVLGMSTLDH-UHFFFAOYSA-N -1 3 247.725 3.966 50 10 BHCAHM