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)CCC(=O)OCC[N+](C)(C)C ZINC000001677408 383921277 /nfs/dbraw/zinc/92/12/77/383921277.db2.gz NLWFFPJHXLKQFT-UHFFFAOYSA-N 1 3 203.306 0.188 40 5 BCBBHO C[N+](C)(C)CCCSC1=NCCN1 ZINC000001675931 383921186 /nfs/dbraw/zinc/92/11/86/383921186.db2.gz ILMNGSKVQMXEKB-UHFFFAOYSA-N 1 3 202.347 0.775 40 5 BCBBHO