smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000032497022 343236206 /nfs/dbraw/zinc/23/62/06/343236206.db2.gz JRZFNDSCZVTJGQ-HNNXBMFYSA-N 2 2 247.386 2.238 50 10 BECALP CN(C)c1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000032497021 343236007 /nfs/dbraw/zinc/23/60/07/343236007.db2.gz JRZFNDSCZVTJGQ-OAHLLOKOSA-N 2 2 247.386 2.238 50 10 BECALP