smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c(C#N)c(C)c1Cl ZINC001164994755 722192432 /nfs/dbraw/zinc/19/24/32/722192432.db2.gz PSPQUFOENSAVJL-QFIPXVFZSA-N 0 1 398.913 4.608 20 30 GJEDMN Cc1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c(C#N)c(C)c1Cl ZINC001164994753 722192560 /nfs/dbraw/zinc/19/25/60/722192560.db2.gz PSPQUFOENSAVJL-JOCHJYFZSA-N 0 1 398.913 4.608 20 30 GJEDMN C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N(CCC#N)c1ccccc1 ZINC000004406816 209119288 /nfs/dbraw/zinc/11/92/88/209119288.db2.gz BKTJVCMNDBQZNP-CYBMUJFWSA-N 0 1 384.892 4.644 20 30 GJEDMN