smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cncc2nc(Cl)[n-]c21 ZINC000260473962 387864100 /nfs/dbraw/zinc/86/41/00/387864100.db2.gz KDAITDITQACOLM-UHFFFAOYSA-N -1 3 225.635 1.788 30 0 BDACHM CCOC(=O)c1cncc2[n-]c(Cl)nc21 ZINC000260473962 387864106 /nfs/dbraw/zinc/86/41/06/387864106.db2.gz KDAITDITQACOLM-UHFFFAOYSA-N -1 3 225.635 1.788 30 0 BDACHM CCOC(=O)c1c[n-]cc2nc(Cl)nc1-2 ZINC000260473962 387864111 /nfs/dbraw/zinc/86/41/11/387864111.db2.gz KDAITDITQACOLM-UHFFFAOYSA-N -1 3 225.635 1.788 30 0 BDACHM