smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(-c2cc(=O)c3c([O-])cccc3o2)cc1 ZINC000096922786 185130974 /nfs/dbraw/zinc/13/09/74/185130974.db2.gz QQHLULOHMMCVMA-UHFFFAOYSA-N -2 1 282.251 2.864 1 0 CFAFML Cc1nc2c(s1)Cc1cccc(OCP(=O)([O-])[O-])c1-2 ZINC000045387395 175372728 /nfs/dbraw/zinc/37/27/28/175372728.db2.gz DLAWXUQOWZHAQZ-UHFFFAOYSA-N -2 1 297.272 2.537 1 0 CFAFML O=Cc1c([O-])cccc1-c1coc2cc([O-])ccc2c1=O ZINC000033830328 290859136 /nfs/dbraw/zinc/85/91/36/290859136.db2.gz RHAHSJPCMYFQTA-UHFFFAOYSA-N -2 1 282.251 2.684 1 0 biogenic,in-vitro CFAFML Cc1ccc(OCP(=O)([O-])[O-])c2c1Cc1scnc1-2 ZINC000045358902 175362435 /nfs/dbraw/zinc/36/24/35/175362435.db2.gz FTRHUXRCCTYSFE-UHFFFAOYSA-N -2 1 297.272 2.537 1 0 CFAFML