smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c2ccc(NN=C3C(C)=NCC[NH+]=C3C)cc2[nH+]1 ZINC000022036685 171350266 /nfs/dbraw/zinc/35/02/66/171350266.db2.gz UOSSUCDWBYDXSX-QZQOTICOSA-N 2 2 282.351 3.259 1 10 CGCFLP