smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)CC[NH+]1CCCN2CCN(CCC[N@H+](CCC(N)=O)CC2)CC1 ZINC000027552669 482633979 /nfs/dbraw/zinc/63/39/79/482633979.db2.gz BEBMMPLEUZRJRH-UHFFFAOYSA-N 2 1 368.526 -1.247 10 0 FAAEMP