smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)c1cccs1 ZINC000089845819 570917244 /nfs/dbraw/zinc/91/72/44/570917244.db2.gz XCMITFPAJBRXLW-UHFFFAOYSA-N 0 2 399.415 5.360 20 0 GKADLN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc(C)c(C)cc2C)C1 ZINC000007751627 221009228 /nfs/dbraw/zinc/00/92/28/221009228.db2.gz MRNKJQWCYKFWQQ-XDHOZWIPSA-N 0 2 386.495 5.234 20 0 GKADLN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc(C)c(C)cc2C)C1 ZINC000007751627 221009230 /nfs/dbraw/zinc/00/92/30/221009230.db2.gz MRNKJQWCYKFWQQ-XDHOZWIPSA-N 0 2 386.495 5.234 20 0 GKADLN