smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@H+]43)cc2F)CC1 ZINC001468643861 1069146414 /nfs/dbraw/zinc/14/64/14/1069146414.db2.gz VDLUYDPMSISYEZ-WMZHIEFXSA-N 1 3 449.571 0.993 20 10 ICCDHO CCN1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)cc2F)CC1 ZINC001468643861 1069146402 /nfs/dbraw/zinc/14/64/02/1069146402.db2.gz VDLUYDPMSISYEZ-WMZHIEFXSA-N 1 3 449.571 0.993 20 10 ICCDHO