smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH+]1CCN(c2c3ccc(Cl)cc3nc3ccc(OC)cc32)CC1 ZINC000013063255 534930218 /nfs/dbraw/zinc/93/02/18/534930218.db2.gz RJYBCCMXEPCTHV-UHFFFAOYSA-N 1 3 369.896 4.582 50 10 FJCAHO CN1CCN(c2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)CC1 ZINC000003878361 132385834 /nfs/dbraw/zinc/38/58/34/132385834.db2.gz QZKGUNQLVFEEBA-UHFFFAOYSA-N 1 3 368.484 4.883 50 10 in-vivo FJCAHO