smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(C(=O)[C@@H](CC)Cc1c([O-])[nH]c(=O)[nH]c1=O)=C([O-])C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715172	569873868	/nfs/dbraw/zinc/87/38/68/569873868.db2.gz	LDJOZKIBPSFPQI-RYUDHWBXSA-N	-2	3	472.523	2.106	10	0		JEAEHL
Cc1ccc(S(=O)(=O)[N-][N-]C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(N)cc2)cc1	ZINC000048547556	569846460	/nfs/dbraw/zinc/84/64/60/569846460.db2.gz	MUBSCISCFXYAST-STZFKDTASA-N	-2	3	495.517	2.266	10	0		JEAEHL
CCC(C(=O)[C@H](CC)Cc1c([O-])[nH]c(=O)[nH]c1=O)=C([O-])C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715186	569873895	/nfs/dbraw/zinc/87/38/95/569873895.db2.gz	LDJOZKIBPSFPQI-NEPJUHHUSA-N	-2	3	472.523	2.106	10	0		JEAEHL
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc2cccc3c2c(c1)C(=O)[N-]C3=O	ZINC000041124627	526304853	/nfs/dbraw/zinc/30/48/53/526304853.db2.gz	XPHLSGAZGXQGFX-IBGZPJMESA-N	-2	3	463.471	2.179	10	0		JEAEHL
CCC(C(=O)[C@@H](CC)Cc1c([O-])[nH]c(=O)[nH]c1=O)=C([O-])C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715142	569873837	/nfs/dbraw/zinc/87/38/37/569873837.db2.gz	LDJOZKIBPSFPQI-NWDGAFQWSA-N	-2	3	472.523	2.106	10	0		JEAEHL
CCC(C(=O)[C@H](CC)Cc1c([O-])[nH]c(=O)[nH]c1=O)=C([O-])C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715158	569873847	/nfs/dbraw/zinc/87/38/47/569873847.db2.gz	LDJOZKIBPSFPQI-VXGBXAGGSA-N	-2	3	472.523	2.106	10	0		JEAEHL
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc2cccc3c2c(c1)C(=O)[N-]C3=O	ZINC000041124629	527648577	/nfs/dbraw/zinc/64/85/77/527648577.db2.gz	XPHLSGAZGXQGFX-LJQANCHMSA-N	-2	3	463.471	2.179	10	0		JEAEHL