smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1n[nH]c(-n2ccc3nc4ccn(CC[NH+]5CCOCC5)c(=O)c4cc3c2=O)n1	ZINC000040398876	556640859	/nfs/dbraw/zinc/64/08/59/556640859.db2.gz	XIXFMCOUWABAKW-UHFFFAOYSA-N	1	2	439.501	0.873	40	5		ICBBLO
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N1CC[NH+](C)CC1	ZINC000145775064	569255167	/nfs/dbraw/zinc/25/51/67/569255167.db2.gz	RURZCDJUURVKSZ-UHFFFAOYSA-N	1	2	433.494	0.519	40	5		ICBBLO
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000222370929	568640163	/nfs/dbraw/zinc/64/01/63/568640163.db2.gz	AZSTVLLXWIVVKD-UHFFFAOYSA-N	1	2	444.510	0.598	40	5		ICBBLO
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000222376558	568639514	/nfs/dbraw/zinc/63/95/14/568639514.db2.gz	HEQXNICGLQWHSK-UHFFFAOYSA-N	1	2	428.511	0.898	40	5		ICBBLO
CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222539732	568652023	/nfs/dbraw/zinc/65/20/23/568652023.db2.gz	CJZIDEHQYRMDNY-INIZCTEOSA-N	1	2	428.511	0.896	40	5		ICBBLO
CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222539805	568651900	/nfs/dbraw/zinc/65/19/00/568651900.db2.gz	CJZIDEHQYRMDNY-MRXNPFEDSA-N	1	2	428.511	0.896	40	5		ICBBLO
CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222547977	568652549	/nfs/dbraw/zinc/65/25/49/568652549.db2.gz	YMJFEZHJQQDTNG-HNNXBMFYSA-N	1	2	444.510	0.596	40	5		ICBBLO
CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222548038	568652679	/nfs/dbraw/zinc/65/26/79/568652679.db2.gz	YMJFEZHJQQDTNG-OAHLLOKOSA-N	1	2	444.510	0.596	40	5		ICBBLO