smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC[NH2+]Cc1c2ccccc2c(C[NH2+]CCN)c2ccccc21 ZINC000019365329 182119392 /nfs/dbraw/zinc/11/93/92/182119392.db2.gz DUOBHOQMGPIAHC-UHFFFAOYSA-N 2 3 322.456 2.090 40 5 DEBBHP