smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1O	ZINC000005048329	525357371	/nfs/dbraw/zinc/35/73/71/525357371.db2.gz	RZZPDXZPRHQOCG-LPTSXCQYSA-O	-1	0	489.335	-1.599	50	5	biogenic	JABARM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000006507065	554547847	/nfs/dbraw/zinc/54/78/47/554547847.db2.gz	RZZPDXZPRHQOCG-OJAKKHQRSA-O	-1	0	489.335	-1.599	50	5	endogenous,world	JABARM
Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)n1	ZINC000008455649	554599859	/nfs/dbraw/zinc/59/98/59/554599859.db2.gz	BUYDXJIRGZDGJT-TVQRCGJNSA-N	-1	0	481.476	-1.004	50	5		JABARM
Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)n1	ZINC000008455650	527327893	/nfs/dbraw/zinc/32/78/93/527327893.db2.gz	BUYDXJIRGZDGJT-NOZJJQNGSA-N	-1	0	481.476	-1.004	50	5		JABARM
Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@@H]23)n1	ZINC000008455651	527327875	/nfs/dbraw/zinc/32/78/75/527327875.db2.gz	BUYDXJIRGZDGJT-ZANVPECISA-N	-1	0	481.476	-1.004	50	5		JABARM
Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@@H]23)n1	ZINC000008455652	554599919	/nfs/dbraw/zinc/59/99/19/554599919.db2.gz	BUYDXJIRGZDGJT-RNCFNFMXSA-N	-1	0	481.476	-1.004	50	5		JABARM
O=c1[n-]c(=O)c(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)n[nH]1	ZINC000009463139	555232978	/nfs/dbraw/zinc/23/29/78/555232978.db2.gz	GALMWSRTCCDRIX-UHFFFAOYSA-N	-1	0	467.464	-1.286	50	5		JABARM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O	ZINC000012660526	195080471	/nfs/dbraw/zinc/08/04/71/195080471.db2.gz	RZZPDXZPRHQOCG-FOUMNBMASA-O	-1	0	489.335	-1.599	50	5	biogenic	JABARM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O	ZINC000036382611	569773719	/nfs/dbraw/zinc/77/37/19/569773719.db2.gz	RZZPDXZPRHQOCG-GWNIPJSYSA-O	-1	0	489.335	-1.599	50	5	biogenic	JABARM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000096023557	569731911	/nfs/dbraw/zinc/73/19/11/569731911.db2.gz	RZZPDXZPRHQOCG-JHEVNIALSA-O	-1	0	489.335	-1.599	50	5		JABARM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000101145080	569784490	/nfs/dbraw/zinc/78/44/90/569784490.db2.gz	RZZPDXZPRHQOCG-SQNXGDPESA-O	-1	0	489.335	-1.599	50	5		JABARM
C[N+](C)(C)CCO[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OP(=O)([O-])[O-]	ZINC000113978818	569862738	/nfs/dbraw/zinc/86/27/38/569862738.db2.gz	RMOSPTYKMVGFJG-UVLFVVEUSA-O	-1	0	489.335	-1.599	50	5		JABARM
C[N+](C)(C)CCO[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OP(=O)([O-])[O-]	ZINC000113978820	569862775	/nfs/dbraw/zinc/86/27/75/569862775.db2.gz	RMOSPTYKMVGFJG-ARRZDZPQSA-O	-1	0	489.335	-1.599	50	5		JABARM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000215821427	569877744	/nfs/dbraw/zinc/87/77/44/569877744.db2.gz	RZZPDXZPRHQOCG-WKSBVSIWSA-O	-1	0	489.335	-1.599	50	5		JABARM