smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O	ZINC000022913966	556328214	/nfs/dbraw/zinc/32/82/14/556328214.db2.gz	XBCHWAJOVFEHOL-UHFFFAOYSA-N	1	0	443.526	0.123	40	5		ICBBRO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O	ZINC000022913983	556328347	/nfs/dbraw/zinc/32/83/47/556328347.db2.gz	YENJKXBDFGBHOG-UHFFFAOYSA-N	1	0	427.527	0.423	40	5		ICBBRO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CC(N)=O)N[C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000033722725	556627209	/nfs/dbraw/zinc/62/72/09/556627209.db2.gz	QWDFWGBBKHHBQF-HPXJRWHBSA-N	1	0	449.423	0.704	40	5		ICBBRO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@]21c2ccccc2NC1=O	ZINC000101342563	557273383	/nfs/dbraw/zinc/27/33/83/557273383.db2.gz	QWDFWGBBKHHBQF-NMZZKHSVSA-N	1	0	449.423	0.704	40	5		ICBBRO