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)CCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2cnccc2C(=O)c31 ZINC000001538987 209332481 /nfs/dbraw/zinc/33/24/81/209332481.db2.gz ZHAKYGFJVGCOAE-UHFFFAOYSA-N 1 3 394.479 1.198 10 10 investigational GDCEHO