CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001543916	35/96/38/210359638	WPVFJKSGQUFQAP-BDAKNGLRSA-N	1	354.367	FA	-1.437	0	Anodyne	ref	FAAARO	CC(C)[C@H]([NH3+])C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	fda
CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001543916	35/96/43/210359643	WPVFJKSGQUFQAP-BDAKNGLRSA-N	0	354.367	FA	-1.437	1	Anodyne	mid	FAAAMN	CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	fda
CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001995484	52/92/23/482529223	WPVFJKSGQUFQAP-IUCAKERBSA-N	0	354.367	FA	-1.437	1	Anodyne	mid	FAAAMN	CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	fda
CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001995484	52/92/09/482529209	WPVFJKSGQUFQAP-IUCAKERBSA-N	1	354.367	FA	-1.437	0	Anodyne	ref	FAAARO	CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	fda
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I	ZINC000003834173	70/78/82/482707882	XQFRJNBWHJMXHO-RRKCRQDMSA-N	-1	354.1	FA	-1.218	3	Anodyne	high	FAAAHM	O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I	world biogenic
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I	ZINC000003834173	70/78/81/482707881	XQFRJNBWHJMXHO-RRKCRQDMSA-N	0	354.1	FA	-1.218	0	Anodyne	ref	FAAARN	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I	world biogenic
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000004096261	52/02/43/483520243	XNSAINXGIQZQOO-SRVKXCTJSA-N	1	362.39	FA	-1.808	2	Anodyne	low	FAAALO	NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	world
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000004096261	52/02/41/483520241	XNSAINXGIQZQOO-SRVKXCTJSA-N	1	362.39	FA	-1.808	2	Anodyne	low	FAAALO	NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	world
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000004096261	52/02/38/483520238	XNSAINXGIQZQOO-SRVKXCTJSA-N	0	362.39	FA	-1.808	1	Anodyne	mid	FAAAMN	NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	world
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000004096261	52/02/33/483520233	XNSAINXGIQZQOO-SRVKXCTJSA-N	0	362.39	FA	-1.808	0	Anodyne	ref	FAAARN	NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1	world
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I	ZINC000004216113	55/45/41/219554541	IPVFGAYTKQKGBM-BYPJNBLXSA-N	-1	372.09	FA	-1.27	3	Anodyne	high	FAAAHM	O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I	investigational
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I	ZINC000004216113	55/45/36/219554536	IPVFGAYTKQKGBM-BYPJNBLXSA-N	0	372.09	FA	-1.27	0	Anodyne	ref	FAAARN	O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I	investigational
O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1	ZINC000004228292	53/29/75/482532975	DCTLYFZHFGENCW-UUOKFMHZSA-N	-1	364.207	FA	-2.859	2	Anodyne	low	FAAALM	O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]3O)c2[nH]1	in-man endogenous
O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1	ZINC000004228292	53/29/71/482532971	DCTLYFZHFGENCW-UUOKFMHZSA-N	-1	364.207	FA	-2.859	2	Anodyne	low	FAAALM	O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]3O)c2[nH]1	in-man endogenous
O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1	ZINC000004228292	53/29/65/482532965	DCTLYFZHFGENCW-UUOKFMHZSA-N	-2	364.207	FA	-2.859	0	Anodyne	ref	FAAARL	O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2[nH]1	in-man endogenous
C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO	ZINC000004521935	17/91/08/210179108	GOSWTRUMMSCNCW-HNNGNKQASA-N	0	351.363	FA	-1.212	0	Anodyne	ref	FAAARN	C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO	in-man endogenous
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCNC(=N)N	ZINC000013493525	03/59/56/211035956	LTLYEAJONXGNFG-DCAQKATOSA-N	0	357.411	FA	-1.251	0	Anodyne	ref	FAAARN	CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)[O-])C(=O)NCCCCNC(N)=[NH2+]	aggregator in-vitro
Nc1ncnc2c1ncn2[C@@H]1O[C@H]([C@@H](O)OP(=O)(O)O)[C@@H](O)[C@@H]1O	ZINC000113844869	86/03/89/482860389	UNEMAULUIZKJFI-YCKNTGOZSA-N	-2	363.223	FA	-2.545	0	Anodyne	ref	FAABRL	Nc1ncnc2c1ncn2[C@@H]1O[C@H]([C@@H](O)OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	 
Nc1ncnc2c1ncn2[C@@H]1O[C@H]([C@H](O)OP(=O)(O)O)[C@@H](O)[C@@H]1O	ZINC000113844870	86/00/28/482860028	UNEMAULUIZKJFI-ZVGAOZORSA-N	-2	363.223	FA	-2.545	0	Anodyne	ref	FAABRL	Nc1ncnc2c1ncn2[C@@H]1O[C@H]([C@H](O)OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O