smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(N)=C[N+](=O)[O-] 5112587 169168155 /nfs/dbraw/zinc/16/81/55/169168155.db2.gz QPRATAOCXWOIPO-UHFFFAOYSA-N 0 2 103.081 -1.021 50 5 in-vitro AABALN Nc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] 4761886 171014181 /nfs/dbraw/zinc/01/41/81/171014181.db2.gz SNNFJRQZJGEAQU-UHFFFAOYSA-N 0 2 172.100 -1.446 50 5 in-vitro AABALN