smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2cc(NN=C3C(C)=NCCN=C3C)ccc2[nH]1 ZINC000022036685 171350268 /nfs/dbraw/zinc/35/02/68/171350268.db2.gz UOSSUCDWBYDXSX-QZQOTICOSA-N 0 3 282.351 3.259 1 10 CGCFHN