smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(Cc2ccccc2)cc1C[NH2+]C1CCCCC1 ZINC000045211383 175329087 /nfs/dbraw/zinc/32/90/87/175329087.db2.gz UHQSCXGPXYYIMK-UHFFFAOYSA-N 0 3 295.426 4.405 1 10 CICFHN CN1CCC(=C2c3ccccc3CCc3ccccc32)CC1 ZINC000005966229 170163505 /nfs/dbraw/zinc/16/35/05/170163505.db2.gz BCTLPBWGLJDKHE-UHFFFAOYSA-N 0 3 289.422 4.313 1 10 CICFHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1CCCCC1 ZINC000045168838 175319837 /nfs/dbraw/zinc/31/98/37/175319837.db2.gz PFQCUDCUBXFIKU-UHFFFAOYSA-N 0 3 281.399 4.482 1 10 CICFHN