smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]n1nnc2c1c1ccccc1c1ccccc21 ZINC000005948918 187248544 /nfs/dbraw/zinc/24/85/44/187248544.db2.gz IHZPELKKLUAFQF-UHFFFAOYSA-N -1 0 235.246 2.975 3 5 BFBFRM Cc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 ZINC000072177358 187276503 /nfs/dbraw/zinc/27/65/03/187276503.db2.gz VYPRWINZZQUWKS-UHFFFAOYSA-N -1 0 242.230 2.666 1 5 BFBFRM O=C([O-])c1cccc2c(=O)[nH]c3ccccc3c12 ZINC000029406489 188283832 /nfs/dbraw/zinc/28/38/32/188283832.db2.gz MGVLGZUCBGQQKX-UHFFFAOYSA-N -1 0 239.230 2.792 1 5 BFBFRM O=C([O-])c1oc2ccc([N+](=O)[O-])c3c2c1CCC3 ZINC000005811596 182598368 /nfs/dbraw/zinc/59/83/68/182598368.db2.gz MYYIPSBHCWZHEN-UHFFFAOYSA-N -1 0 247.206 2.528 1 5 BFBFRM