smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000217030136 509266416 /nfs/dbraw/zinc/26/64/16/509266416.db2.gz JXMVCPUAGNIEJU-UHFFFAOYSA-N 2 2 370.324 2.979 40 70 FFIBLP