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+](CCC[N@H+](C)CCC1CCCCC1)CCC1CCCCC1 ZINC000005699200 181274348 /nfs/dbraw/zinc/27/43/48/181274348.db2.gz ZZNJEMPUFRGQTM-UHFFFAOYSA-N 2 1 322.581 5.181 40 0 DKABMP