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(NO)[C@H]1CCCCN1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1	ZINC000003820501	132385653	/nfs/dbraw/zinc/38/56/53/132385653.db2.gz	AGYNYDKOTQBWNJ-CYBMUJFWSA-N	1	2	369.447	-0.192	1	30		FBEFLO
COC(=O)COC(=O)[C@H](C)NC=CC=[NH+][C@@H](C)C(=O)OCC(=O)OC	ZINC000045339505	208330936	/nfs/dbraw/zinc/33/09/36/208330936.db2.gz	HBRHLKBKYISHKZ-GHAPDDNBSA-N	1	2	358.347	-0.630	1	30		FBEFLO
CO[C@@H]1CC[C@](C)(O)C(C(=O)[C@]2(C)NC(=O)CC[C@H]([NH3+])C(=O)O2)C1=O	ZINC000053687153	205194791	/nfs/dbraw/zinc/19/47/91/205194791.db2.gz	ARGXGIGYPLWLFT-XMGBLKMYSA-N	1	2	356.375	-0.576	1	30		FBEFLO
CO[C@@H]1CC[C@](C)(O)C(C(=O)[C@@]2(C)NC(=O)CC[C@H]([NH3+])C(=O)O2)C1=O	ZINC000101716338	222282578	/nfs/dbraw/zinc/28/25/78/222282578.db2.gz	ARGXGIGYPLWLFT-HAHWHCPGSA-N	1	2	356.375	-0.576	1	30		FBEFLO