smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1cc(-c2ccccc2)n[nH]1 ZINC000150663560 1064277617 /nfs/dbraw/zinc/27/76/17/1064277617.db2.gz DTQMGTXMYTWHCX-ZVBGSRNCSA-N 0 1 614.210 4.421 20 30 KIEDMN