smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC1=C[C@H](C=N[O-])[C@@](Cl)(OC)C=C1 ZINC000257353182 522649789 /nfs/dbraw/zinc/64/97/89/522649789.db2.gz PTRFXBFONBCLFF-APPZFPTMSA-N -1 3 217.652 1.744 30 30 BDECHM COC1=C[C@@H](C=N[O-])[C@@](Cl)(OC)C=C1 ZINC000257353183 522650088 /nfs/dbraw/zinc/65/00/88/522650088.db2.gz PTRFXBFONBCLFF-CBAPKCEASA-N -1 3 217.652 1.744 30 30 BDECHM COC1=C[C@H](C=N[O-])[C@](Cl)(OC)C=C1 ZINC000257353185 522650277 /nfs/dbraw/zinc/65/02/77/522650277.db2.gz PTRFXBFONBCLFF-VXNVDRBHSA-N -1 3 217.652 1.744 30 30 BDECHM COC1=C[C@@H](C=N[O-])[C@](Cl)(OC)C=C1 ZINC000257353184 522648665 /nfs/dbraw/zinc/64/86/65/522648665.db2.gz PTRFXBFONBCLFF-IONNQARKSA-N -1 3 217.652 1.744 30 30 BDECHM