smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCCN(C)CCCN(C)CCC[NH2+]C ZINC000001569420 173346434 /nfs/dbraw/zinc/34/64/34/173346434.db2.gz XRTKMBBIDHUQNP-UHFFFAOYSA-N 2 3 244.427 0.459 50 0 BCAAHP