smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000013549724	220073250	/nfs/dbraw/zinc/07/32/50/220073250.db2.gz	FIRWJEJVFFGXSH-RYUDHWBXSA-N	-2	1	351.359	-0.893	10	0		FBAEML
Nc1ncnc2c1ncn2CCOC[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000038823587	208206352	/nfs/dbraw/zinc/20/63/52/208206352.db2.gz	VQIHLCFUFNQXPS-UHFFFAOYSA-N	-2	1	353.168	-0.323	10	0	in-man	FBAEML
Nc1ncnc2c1ncn2CCOC[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000038823587	208206349	/nfs/dbraw/zinc/20/63/49/208206349.db2.gz	VQIHLCFUFNQXPS-UHFFFAOYSA-N	-2	1	353.168	-0.323	10	0	in-man	FBAEML
CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-]	ZINC000262300050	534922140	/nfs/dbraw/zinc/92/21/40/534922140.db2.gz	PYIQWSBHCALHCK-MRVPVSSYSA-N	-2	1	361.376	-0.584	10	0		FBAEML
CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-]	ZINC000262300051	535054092	/nfs/dbraw/zinc/05/40/92/535054092.db2.gz	PYIQWSBHCALHCK-QMMMGPOBSA-N	-2	1	361.376	-0.584	10	0		FBAEML
COC(=O)CC[C@H]([N-]S(=O)(=O)[N-]C(=O)OC(C)(C)C)C(=O)OC	ZINC000584660528	484620083	/nfs/dbraw/zinc/62/00/83/484620083.db2.gz	QMBFCJPBMGHFFD-QMMMGPOBSA-N	-2	1	354.381	-0.160	10	0		FBAEML