smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=C/c1oc(-c2c(O)ccc3ccccc32)c(-c2c(O)ccc3ccccc32)c1[N+](=O)[O-] ZINC000001630405 717088506 /nfs/dbraw/zinc/08/85/06/717088506.db2.gz RZTHTFCFHUMAKQ-UHFFFAOYSA-O 1 0 539.568 5.396 50 50 KKGARO Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(/C=C\c1cccc([N+](=O)[O-])c1)=N\NC(=O)C[N+](C)(C)C ZINC000101130950 717144541 /nfs/dbraw/zinc/14/45/41/717144541.db2.gz YFHFIBWGRXORPO-GVQTYPMCSA-O 1 0 606.732 6.119 50 50 KKGARO