smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(-c2nnn[n-]2)oc2c(C=Cc3ccc(OCCCCc4ccccc4)cc3)cccc12 ZINC000002004569 554008859 /nfs/dbraw/zinc/00/88/59/554008859.db2.gz KBTDCXSSQDGWLL-NTCAYCPXSA-N -1 1 464.525 5.545 20 0 JKADMM O=c1cc(-c2nn[n-]n2)oc2c(C=Cc3ccc(OCCCCc4ccccc4)cc3)cccc12 ZINC000002004569 554008861 /nfs/dbraw/zinc/00/88/61/554008861.db2.gz KBTDCXSSQDGWLL-NTCAYCPXSA-N -1 1 464.525 5.545 20 0 JKADMM O=S(=O)([N-]c1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2CCC23CCCC3)c1 ZINC001164400159 718845541 /nfs/dbraw/zinc/84/55/41/718845541.db2.gz RGOJQCKERZBYAU-UHFFFAOYSA-N -1 1 478.952 5.152 20 0 JKADMM