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)cc3[nH+]c3ccc(OC)cc32)CC1 ZINC000013063255 534930202 /nfs/dbraw/zinc/93/02/02/534930202.db2.gz RJYBCCMXEPCTHV-UHFFFAOYSA-N 2 0 369.896 4.582 50 10 FJCARP C[NH+]1CCN(c2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)CC1 ZINC000003878361 132385833 /nfs/dbraw/zinc/38/58/33/132385833.db2.gz QZKGUNQLVFEEBA-UHFFFAOYSA-N 2 0 368.484 4.883 50 10 in-vivo FJCARP