smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNCC1	ZINC000261866053	154203343	/nfs/dbraw/zinc/20/33/43/154203343.db2.gz	GNEQUCJGOGASCA-UHFFFAOYSA-N	-1	3	328.350	-0.695	50	5		EBBAHM
C[C@]1(O)CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000253418458	420853236	/nfs/dbraw/zinc/85/32/36/420853236.db2.gz	QBQCDQBMPGJEGO-ZDUSSCGKSA-N	-1	3	343.361	-0.144	50	5		EBBAHM
O=C(COC(=O)c1c[nH]c(=O)[n-]c1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000002638204	379598124	/nfs/dbraw/zinc/59/81/24/379598124.db2.gz	FTHKCTBVAMXRML-UHFFFAOYSA-N	-1	3	334.244	-0.233	50	5		EBBAHM
C[C@@]1(O)CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000253418455	420853707	/nfs/dbraw/zinc/85/37/07/420853707.db2.gz	QBQCDQBMPGJEGO-CYBMUJFWSA-N	-1	3	343.361	-0.144	50	5		EBBAHM
CS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000032771350	375976514	/nfs/dbraw/zinc/97/65/14/375976514.db2.gz	MZNZLFTXASBFPI-UHFFFAOYSA-N	-1	3	337.379	-0.188	50	5		EBBAHM
COC(=O)c1[n-][nH]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100568131	219101785	/nfs/dbraw/zinc/10/17/85/219101785.db2.gz	AVLIIDGTGZSEEU-NXEZZACHSA-N	-1	3	332.272	-0.107	50	5		EBBAHM
COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CN1	ZINC000365946754	378129401	/nfs/dbraw/zinc/12/94/01/378129401.db2.gz	PYUYUCQVEVJREN-DTWKUNHWSA-N	-1	3	329.334	-0.223	50	5		EBBAHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003434377	210038292	/nfs/dbraw/zinc/03/82/92/210038292.db2.gz	ASQPFRSBXFPNGJ-UHFFFAOYSA-N	-1	3	349.259	-0.239	50	5		EBBAHM