smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCN(/C(=[NH+]\c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000017255438 520639366 /nfs/dbraw/zinc/63/93/66/520639366.db2.gz LKPUWIZUBWPXIH-IZHYLOQSSA-N 1 3 378.564 5.008 40 30 GKEBHO CN1CCN(CCCCn2c3ccccc3[s+]c3ccc(=NN=N)cc2-3)CC1 ZINC000016958787 221374595 /nfs/dbraw/zinc/37/45/95/221374595.db2.gz OZENPWLWODGIFL-UHFFFAOYSA-N 1 3 394.548 5.259 40 30 GKEBHO CCN(CC)CCN(/C(=[NH+]/c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000005499373 570442948 /nfs/dbraw/zinc/44/29/48/570442948.db2.gz LKPUWIZUBWPXIH-OCOZRVBESA-N 1 3 378.564 5.008 40 30 GKEBHO