smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc([C@@H](Nc2cccc[nH+]2)n2nnc3ccccc32)ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000103763772	555472228	/nfs/dbraw/zinc/47/22/28/555472228.db2.gz	FODWBRRZSDUVCL-PMERELPUSA-N	2	2	564.606	4.444	40	10		KICBLP
O=[N+]([O-])c1cc([C@H](Nc2cccc[nH+]2)n2nnc3ccccc32)ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000103763778	555472213	/nfs/dbraw/zinc/47/22/13/555472213.db2.gz	FODWBRRZSDUVCL-SSEXGKCCSA-N	2	2	564.606	4.444	40	10		KICBLP
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000223187187	571442546	/nfs/dbraw/zinc/44/25/46/571442546.db2.gz	LVHWBGNUPIFLEB-VSGBNLITSA-N	2	2	518.731	4.250	40	10		KICBLP
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000223187246	571442502	/nfs/dbraw/zinc/44/25/02/571442502.db2.gz	LVHWBGNUPIFLEB-IZLXSDGUSA-N	2	2	518.731	4.250	40	10		KICBLP
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000223187298	571442465	/nfs/dbraw/zinc/44/24/65/571442465.db2.gz	LVHWBGNUPIFLEB-WUFINQPMSA-N	2	2	518.731	4.250	40	10		KICBLP
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000223187351	571442470	/nfs/dbraw/zinc/44/24/70/571442470.db2.gz	LVHWBGNUPIFLEB-NSOVKSMOSA-N	2	2	518.731	4.250	40	10		KICBLP