Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	ZINC000003860156	07/99/50/210079950	UDMBCSSLTHHNCD-KQYNXXCUSA-N	-2	347.224	EA	-1.863	0	Anodyne	ref	EAAARL	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	world endogenous
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	ZINC000004228242	14/88/29/210148829	GRSZFWQUAKGDAV-KQYNXXCUSA-N	-3	348.208	EA	-2.152	3	Anodyne	high	EAAAHL	O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	in-man endogenous
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	ZINC000004228242	14/88/26/210148826	GRSZFWQUAKGDAV-KQYNXXCUSA-N	-1	348.208	EA	-2.152	2	Anodyne	low	EAAALM	O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	in-man endogenous
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	ZINC000004228242	14/88/21/210148821	GRSZFWQUAKGDAV-KQYNXXCUSA-N	-1	348.208	EA	-2.152	2	Anodyne	low	EAAALM	O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	in-man endogenous
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	ZINC000004228242	14/88/17/210148817	GRSZFWQUAKGDAV-KQYNXXCUSA-N	-2	348.208	EA	-2.152	0	Anodyne	ref	EAAARL	O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	in-man endogenous
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1	ZINC000004228273	14/79/69/210147969	DAYLJWODMCOQEW-TURQNECASA-O	0	335.229	EA	-2.198	2	Anodyne	low	EAAALN	NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	in-man endogenous
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1	ZINC000004228273	14/79/67/210147967	DAYLJWODMCOQEW-TURQNECASA-O	0	335.229	EA	-2.198	2	Anodyne	low	EAAALN	NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	in-man endogenous
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1	ZINC000004228273	14/79/63/210147963	DAYLJWODMCOQEW-TURQNECASA-O	-1	335.229	EA	-2.198	0	Anodyne	ref	EAAARM	NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1	in-man endogenous
NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)/N=C(\O)CN)C(=O)O	ZINC000013507674	25/53/06/374255306	MVORZMQFXBLMHM-QWRGUYRKSA-N	0	340.384	EA	-1.066	3	Mild	high	EAEAHN	NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	in-man
NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)/N=C(\O)CN)C(=O)O	ZINC000013507674	25/52/99/374255299	MVORZMQFXBLMHM-QWRGUYRKSA-N	0	340.384	EA	-1.066	3	Mild	high	EAEAHN	NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	in-man
NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)/N=C(\O)CN)C(=O)O	ZINC000013507674	25/52/92/374255292	MVORZMQFXBLMHM-QWRGUYRKSA-N	2	340.384	EA	-1.066	2	Mild	low	EAEALP	[NH3+]CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)[O-]	in-man
NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)/N=C(\O)CN)C(=O)O	ZINC000013507674	25/52/82/374255282	MVORZMQFXBLMHM-QWRGUYRKSA-N	2	340.384	EA	-1.066	2	Mild	low	EAEALP	[NH3+]CCCC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(=O)[O-]	in-man
NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)/N=C(\O)CN)C(=O)O	ZINC000013507674	25/52/79/374255279	MVORZMQFXBLMHM-QWRGUYRKSA-N	1	340.384	EA	-1.066	1	Mild	mid	EAEAMO	[NH3+]CCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[NH3+])C(=O)[O-]	in-man
NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)/N=C(\O)CN)C(=O)O	ZINC000013507674	25/52/65/374255265	MVORZMQFXBLMHM-QWRGUYRKSA-N	1	340.384	EA	-1.066	0	Mild	ref	EAEARO	[NH3+]CCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[NH3+])C(=O)[O-]	in-man
O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)(O)OP(=O)(O)O	ZINC000095936501	80/88/86/374808886	STDWHPYQLDCNBQ-SLPGGIOYSA-N	-2	340.114	EA	-3.145	1	Mild	mid	EAEBML	O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)OP(=O)([O-])O[P@](=O)([O-])O	 
O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)(O)OP(=O)(O)O	ZINC000095936501	80/88/80/374808880	STDWHPYQLDCNBQ-SLPGGIOYSA-N	-2	340.114	EA	-3.145	1	Mild	mid	EAEBML	O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)OP(=O)([O-])O[P@@](=O)([O-])O	 
O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)(O)OP(=O)(O)O	ZINC000095936501	80/88/73/374808873	STDWHPYQLDCNBQ-SLPGGIOYSA-N	-2	340.114	EA	-3.145	1	Mild	mid	EAEBML	O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@](=O)([O-])OP(=O)([O-])O	 
O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)(O)OP(=O)(O)O	ZINC000095936501	80/88/67/374808867	STDWHPYQLDCNBQ-SLPGGIOYSA-N	-2	340.114	EA	-3.145	1	Mild	mid	EAEBML	O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)([O-])OP(=O)([O-])O	 
O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)(O)OP(=O)(O)O	ZINC000095936501	80/88/63/374808863	STDWHPYQLDCNBQ-SLPGGIOYSA-N	-3	340.114	EA	-3.145	1	Mild	mid	EAEBML	O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@](=O)([O-])OP(=O)([O-])[O-]	 
O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)(O)OP(=O)(O)O	ZINC000095936501	80/88/43/374808843	STDWHPYQLDCNBQ-SLPGGIOYSA-N	-3	340.114	EA	-3.145	0	Mild	ref	EAEBRL	O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)([O-])OP(=O)([O-])[O-]	 
CN[C@H]1[C@@H](O)[C@@H](NC)[C@@H](O)[C@H]2O[C@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12	ZINC000245256945	83/26/44/374832644	UNFWWIHTNXNPBV-CJTCCEOQSA-N	2	332.353	EA	-2.926	2	Anodyne	low	EAAALP	C[NH2+][C@H]1[C@@H](O)[C@@H]([NH2+]C)[C@@H](O)[C@H]2O[C@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12	 
CN[C@H]1[C@@H](O)[C@@H](NC)[C@@H](O)[C@H]2O[C@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12	ZINC000245256945	83/26/39/374832639	UNFWWIHTNXNPBV-CJTCCEOQSA-N	1	332.353	EA	-2.926	0	Anodyne	ref	EAAARO	CN[C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@@H]2[C@H](O)[C@H]([NH2+]C)[C@@H]1O	 
CN[C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@H]2[C@H](O)[C@H](NC)[C@@H]1O	ZINC000245256946	83/18/78/374831878	UNFWWIHTNXNPBV-FXKFCKPJSA-N	2	332.353	EA	-2.926	2	Anodyne	low	EAAALP	C[NH2+][C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@H]2[C@H](O)[C@H]([NH2+]C)[C@@H]1O	 
CN[C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@H]2[C@H](O)[C@H](NC)[C@@H]1O	ZINC000245256946	83/18/57/374831857	UNFWWIHTNXNPBV-FXKFCKPJSA-N	1	332.353	EA	-2.926	0	Anodyne	ref	EAAARO	CN[C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@H]2[C@H](O)[C@H]([NH2+]C)[C@@H]1O	 
CN[C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@H]2[C@@H](O)[C@H](NC)[C@@H]1O	ZINC000245256947	81/71/64/290817164	UNFWWIHTNXNPBV-OTVOEVQXSA-N	2	332.353	EA	-2.926	2	Anodyne	low	EAAALP	C[NH2+][C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@H]2[C@@H](O)[C@H]([NH2+]C)[C@@H]1O	 
CN[C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@H]2[C@@H](O)[C@H](NC)[C@@H]1O	ZINC000245256947	81/71/61/290817161	UNFWWIHTNXNPBV-OTVOEVQXSA-N	1	332.353	EA	-2.926	0	Anodyne	ref	EAAARO	CN[C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@H]2[C@@H](O)[C@H]([NH2+]C)[C@@H]1O	 
CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12	ZINC000245256948	83/64/63/290836463	UNFWWIHTNXNPBV-PCCVNYQASA-N	2	332.353	EA	-2.926	2	Anodyne	low	EAAALP	C[NH2+][C@H]1[C@@H](O)[C@@H]([NH2+]C)[C@H](O)[C@H]2O[C@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12	 
CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12	ZINC000245256948	83/64/61/290836461	UNFWWIHTNXNPBV-PCCVNYQASA-N	1	332.353	EA	-2.926	0	Anodyne	ref	EAAARO	CN[C@@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@@H]3O[C@@H]2[C@@H](O)[C@H]([NH2+]C)[C@@H]1O