smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]cnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])O1	ZINC000008217123	571691804	/nfs/dbraw/zinc/69/18/04/571691804.db2.gz	BKUSIKGSPSFQAC-RRKCRQDMSA-N	-4	3	412.188	-1.006	10	0	endogenous,in-man	HAAEHL
O=c1[n-]c(=O)n([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1Br	ZINC000013518134	560218336	/nfs/dbraw/zinc/21/83/36/560218336.db2.gz	IDPVUMJNEZFMNU-UAKXSSHOSA-N	-3	3	403.078	-1.972	10	0	in-vitro	HAAEHL
CCN(CC)C(=O)[S@@](=O)C[C@H](NC(=O)C[C@H](N)C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000035643995	569047016	/nfs/dbraw/zinc/04/70/16/569047016.db2.gz	DRAAJCHXTUZVPN-LAOMSSCUSA-N	-2	3	408.433	-2.316	10	0	in-vitro	HAAEHL
CCN(CC)C(=O)[S@](=O)C[C@H](NC(=O)C[C@H](N)C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000035643999	558794849	/nfs/dbraw/zinc/79/48/49/558794849.db2.gz	DRAAJCHXTUZVPN-XYMBQQPASA-N	-2	3	408.433	-2.316	10	0	in-vitro	HAAEHL
CCN(CC)C(=O)[S@@](=O)C[C@@H](NC(=O)C[C@H](N)C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000035644003	569047032	/nfs/dbraw/zinc/04/70/32/569047032.db2.gz	DRAAJCHXTUZVPN-ZUTLVAOSSA-N	-2	3	408.433	-2.316	10	0	in-vitro	HAAEHL
CCN(CC)C(=O)[S@](=O)C[C@@H](NC(=O)C[C@H](N)C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000035644006	558794811	/nfs/dbraw/zinc/79/48/11/558794811.db2.gz	DRAAJCHXTUZVPN-PTVPGDJQSA-N	-2	3	408.433	-2.316	10	0	in-vitro	HAAEHL
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3[N-]S(=O)(=O)[O-])ccc12	ZINC000087492955	559062011	/nfs/dbraw/zinc/06/20/11/559062011.db2.gz	WTEDCRZHOZSQII-JPIRQXTESA-N	-2	3	417.392	-1.320	10	0		HAAEHL