smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]cnc([O-])c1[N+](=O)[O-] 4262373 171161591 /nfs/dbraw/zinc/16/15/91/171161591.db2.gz OGNJUDFNDMPDSL-UHFFFAOYSA-N -2 1 157.085 -1.684 50 30 AAEAML O=C([O-])CN=Nc1nnn[n-]1 13816642 1424153312 /nfs/dbraw/zinc/15/33/12/1424153312.db2.gz DKWHWJMPDXKULW-DAFODLJHSA-N -2 1 156.105 -1.318 50 30 AAEAML O=C([O-])CN=Nc1nnn[n-]1 100202783 1424451506 /nfs/dbraw/zinc/45/15/06/1424451506.db2.gz DKWHWJMPDXKULW-RJRFIUFISA-N -2 1 156.105 -1.318 50 30 AAEAML N/C(=N\[O-])c1nonc1-c1nnn[n-]1 4344201 1426538100 /nfs/dbraw/zinc/53/81/00/1426538100.db2.gz HHWJFGNGOPKPMI-UHFFFAOYSA-N -2 1 196.130 -1.656 50 30 AAEAML