smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=N[N-]c2nnc3c4ccccc4[nH]c3n2)cc([N+](=O)[O-])c1[O-] ZINC000020228196 570248991 /nfs/dbraw/zinc/24/89/91/570248991.db2.gz WUYOASMXPIAVKX-QGMBQPNBSA-N -2 3 379.336 2.575 10 30 GFEEHL CCN=C([S-])NN=Cc1cc(Br)c([O-])c(Br)c1[O-] ZINC000097475181 521508736 /nfs/dbraw/zinc/50/87/36/521508736.db2.gz VZEJIWBPZQGRAT-LNKIKWGQSA-N -3 3 397.092 2.852 10 30 GFEEHL CCNC(=S)N=NCc1cc(Br)c([O-])c(Br)c1[O-] ZINC000097475181 521508745 /nfs/dbraw/zinc/50/87/45/521508745.db2.gz VZEJIWBPZQGRAT-LNKIKWGQSA-N -2 3 397.092 2.852 10 30 GFEEHL