smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CCCCCCCCCCCC(C)(C)C(=O)[O-])C(=O)[O-] ZINC000028463533 212620126 /nfs/dbraw/zinc/62/01/26/212620126.db2.gz WEEUFUUPEJFVKW-UHFFFAOYSA-N -2 0 328.493 5.499 10 0 EKAERL O=C([O-])c1ccc2cc(-c3ccc4cc(C(=O)[O-])ccc4c3)ccc2c1 ZINC000065734826 564066939 /nfs/dbraw/zinc/06/69/39/564066939.db2.gz HWEIPTRZTZNYNO-UHFFFAOYSA-N -2 0 342.350 5.056 10 0 in-vitro EKAERL CCCCc1ccc(C(=O)[O-])c(C(=O)[O-])c1C[C@@H](CC)CCCC ZINC000098090181 219082730 /nfs/dbraw/zinc/08/27/30/219082730.db2.gz MTLLASHLZAWEKH-AWEZNQCLSA-N -2 0 334.456 5.185 10 0 EKAERL CCCCc1ccc(C(=O)[O-])c(C(=O)[O-])c1C[C@H](CC)CCCC ZINC000098090182 219083240 /nfs/dbraw/zinc/08/32/40/219083240.db2.gz MTLLASHLZAWEKH-CQSZACIVSA-N -2 0 334.456 5.185 10 0 EKAERL