smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000020572734	182233807	/nfs/dbraw/zinc/23/38/07/182233807.db2.gz	YHPKTHXEJDIYGX-UHFFFAOYSA-N	-1	3	301.324	0.399	40	5		DCBBHM
O=[N+]([O-])c1cc2nc(N(CCO)CCO)[n-]c2cc1[N+](=O)[O-]	ZINC000016383580	182042960	/nfs/dbraw/zinc/04/29/60/182042960.db2.gz	BLGWLKPGQWOBJN-UHFFFAOYSA-N	-1	3	311.254	0.170	40	5		DCBBHM
O=c1[n-]c(=O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c[nH]1	ZINC000001590300	285197007	/nfs/dbraw/zinc/19/70/07/285197007.db2.gz	FJACEYIVAAFHEQ-UHFFFAOYSA-N	-1	3	312.263	0.185	40	5		DCBBHM
CC(=O)NCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000035132916	395719117	/nfs/dbraw/zinc/71/91/17/395719117.db2.gz	SHCOVKSOXGYHHA-UHFFFAOYSA-N	-1	3	321.742	0.663	40	5		DCBBHM
COc1ccc([N+](=O)[O-])c2c1CCN2C(=O)C[C@H](N)C(=O)[O-]	ZINC000208215267	1177141372	/nfs/dbraw/zinc/14/13/72/1177141372.db2.gz	ATNVWKDWOLQDKH-QMMMGPOBSA-N	-1	3	309.278	0.295	40	5		DCBBHM