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+](C)CCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2cnccc2C(=O)c31 ZINC000001538987 209332478 /nfs/dbraw/zinc/33/24/78/209332478.db2.gz ZHAKYGFJVGCOAE-UHFFFAOYSA-N 2 0 394.479 1.198 10 10 investigational GDCERP