smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCNc1[nH+]c2ccc([N+](=O)[O-])cc2c2[nH]c3ccccc3c21 ZINC000169309463 534616268 /nfs/dbraw/zinc/61/62/68/534616268.db2.gz CFGZWQGLNCXRCB-UHFFFAOYSA-N 2 1 335.367 3.538 1 5 EHBFMP Cn1c2ccccc2c2c1c1cc([N+](=O)[O-])ccc1[nH+]c2NCCC[NH3+] ZINC000169309498 534711764 /nfs/dbraw/zinc/71/17/64/534711764.db2.gz SWOOLGGRJYZVMR-UHFFFAOYSA-N 2 1 349.394 3.549 1 5 EHBFMP