Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000002583634	81/37/74/169813774	DWRXFEITVBNRMK-JXOAFFINSA-N	0	258.23	CA	-2.543	0	Anodyne	ref	CAAARN	Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	in-man endogenous
Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000004028557	65/60/36/373656036	DWRXFEITVBNRMK-JVZYCSMKSA-N	0	258.23	CA	-2.543	0	Anodyne	ref	CAAARN	Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=O	in-vitro
O=C(O)/C=C/C(=O)N1CCN(C(=O)/C=C/C(=O)O)CC1	ZINC000004866352	03/32/94/170033294	HOIDOFIZVWXXMG-ZPUQHVIOSA-N	-2	282.252	CA	-1.061	0	Anodyne	ref	CAAARL	O=C([O-])/C=C/C(=O)N1CCN(C(=O)/C=C/C(=O)[O-])CC1	 
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000005765081	13/85/36/170138536	DWRXFEITVBNRMK-JAGXHNFQSA-N	0	258.23	CA	-2.543	0	Anodyne	ref	CAAARN	Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	in-vitro
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O	ZINC000019364242	06/63/75/304066375	KCXVZYZYPLLWCC-UHFFFAOYSA-N	-4	292.244	CA	-2.071	1	Anodyne	mid	CAAAML	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	fda
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O	ZINC000019364242	06/63/69/304066369	KCXVZYZYPLLWCC-UHFFFAOYSA-N	-3	292.244	CA	-2.071	0	Anodyne	ref	CAAARL	O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	fda
Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000021999938	34/82/34/171348234	DWRXFEITVBNRMK-UTSKPXGSSA-N	0	258.23	CA	-2.543	0	Anodyne	ref	CAAARN	Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]c1=O	in-vitro
CN1CCN(C(=O)[C@@H]2NC(=O)CNC2=O)CC1=O	ZINC000644149371	34/79/41/409347941	HDZISQYYDGHBGL-MRVPVSSYSA-N	0	254.246	CA	-3.098	0	Anodyne	ref	CAABRN	CN1CCN(C(=O)[C@@H]2NC(=O)CNC2=O)CC1=O	 
CN1CCN(C(=O)[C@H]2NC(=O)CNC2=O)CC1=O	ZINC000644149372	35/03/06/409350306	HDZISQYYDGHBGL-QMMMGPOBSA-N	0	254.246	CA	-3.098	0	Anodyne	ref	CAABRN	CN1CCN(C(=O)[C@H]2NC(=O)CNC2=O)CC1=O	 
O=C1CNC(=O)[C@H](C(=O)N2CCC3(CCNC3=O)CC2)N1	ZINC000644149375	34/80/59/409348059	HTCSYNVMRCBUJI-SECBINFHSA-N	0	294.311	CA	-2.27	0	Anodyne	ref	CAABRN	O=C1CNC(=O)[C@H](C(=O)N2CCC3(CCNC3=O)CC2)N1	 
O=C1CNC(=O)[C@@H](C(=O)N2CCC3(CCNC3=O)CC2)N1	ZINC000644149376	34/77/17/409347717	HTCSYNVMRCBUJI-VIFPVBQESA-N	0	294.311	CA	-2.27	0	Anodyne	ref	CAABRN	O=C1CNC(=O)[C@@H](C(=O)N2CCC3(CCNC3=O)CC2)N1	 
Cn1cccc1CNC(=O)[C@H]1NC(=O)CNC1=O	ZINC000644149395	34/76/03/409347603	KEBXAIXVASCUNS-SECBINFHSA-N	0	250.258	CA	-1.744	0	Anodyne	ref	CAABRN	Cn1cccc1CNC(=O)[C@H]1NC(=O)CNC1=O	 
Cn1cccc1CNC(=O)[C@@H]1NC(=O)CNC1=O	ZINC000644149396	34/75/73/409347573	KEBXAIXVASCUNS-VIFPVBQESA-N	0	250.258	CA	-1.744	0	Anodyne	ref	CAABRN	Cn1cccc1CNC(=O)[C@@H]1NC(=O)CNC1=O	 
Cc1nnc(CNC(=O)[C@@H]2NC(=O)CNC2=O)o1	ZINC000644149421	34/65/82/409346582	MGJMMAQMYPQPSX-SSDOTTSWSA-N	0	253.218	CA	-2.391	0	Anodyne	ref	CAABRN	Cc1nnc(CNC(=O)[C@@H]2NC(=O)CNC2=O)o1	 
Cc1nnc(CNC(=O)[C@H]2NC(=O)CNC2=O)o1	ZINC000644149422	34/71/19/409347119	MGJMMAQMYPQPSX-ZETCQYMHSA-N	0	253.218	CA	-2.391	0	Anodyne	ref	CAABRN	Cc1nnc(CNC(=O)[C@H]2NC(=O)CNC2=O)o1	 
Cc1n[nH]c(C)c1CNC(=O)[C@H]1NC(=O)CNC1=O	ZINC000644149452	34/68/33/409346833	PTUHDOBAAJHYKE-SECBINFHSA-N	0	265.273	CA	-1.743	0	Anodyne	ref	CAABRN	Cc1n[nH]c(C)c1CNC(=O)[C@H]1NC(=O)CNC1=O	 
Cc1n[nH]c(C)c1CNC(=O)[C@@H]1NC(=O)CNC1=O	ZINC000644149453	34/75/08/409347508	PTUHDOBAAJHYKE-VIFPVBQESA-N	0	265.273	CA	-1.743	0	Anodyne	ref	CAABRN	Cc1n[nH]c(C)c1CNC(=O)[C@@H]1NC(=O)CNC1=O	 
CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1NC(=O)CNC1=O	ZINC000644149480	34/64/89/409346489	UJAUJDVIBNIDEC-PSASIEDQSA-N	0	296.327	CA	-1.883	0	Anodyne	ref	CAABRN	CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1NC(=O)CNC1=O	 
CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@H]1NC(=O)CNC1=O	ZINC000644149481	34/76/92/409347692	UJAUJDVIBNIDEC-SCZZXKLOSA-N	0	296.327	CA	-1.883	0	Anodyne	ref	CAABRN	CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@H]1NC(=O)CNC1=O	 
CC(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)CNC1=O	ZINC000644149482	34/71/53/409347153	UJAUJDVIBNIDEC-WCBMZHEXSA-N	0	296.327	CA	-1.883	0	Anodyne	ref	CAABRN	CC(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)CNC1=O	 
CC(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)CNC1=O	ZINC000644149483	34/77/88/409347788	UJAUJDVIBNIDEC-WPRPVWTQSA-N	0	296.327	CA	-1.883	0	Anodyne	ref	CAABRN	CC(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)CNC1=O	 
O=C1CNC(=O)[C@@H](C(=O)NCC(=O)N2CCCCC2)N1	ZINC000644149487	34/85/10/409348510	UQVXLJALBAJTES-JTQLQIEISA-N	0	282.3	CA	-2.27	0	Anodyne	ref	CAABRN	O=C1CNC(=O)[C@@H](C(=O)NCC(=O)N2CCCCC2)N1	 
O=C1CNC(=O)[C@H](C(=O)NCC(=O)N2CCCCC2)N1	ZINC000644149488	34/76/35/409347635	UQVXLJALBAJTES-SNVBAGLBSA-N	0	282.3	CA	-2.27	0	Anodyne	ref	CAABRN	O=C1CNC(=O)[C@H](C(=O)NCC(=O)N2CCCCC2)N1	 
Cn1ccnc1CNC(=O)[C@H]1NC(=O)CNC1=O	ZINC000644149526	34/65/66/409346566	ZVOWHJRELPDTOW-MRVPVSSYSA-N	1	251.246	CA	-2.349	2	Anodyne	low	CAABLO	Cn1cc[nH+]c1CNC(=O)[C@H]1NC(=O)CNC1=O	 
Cn1ccnc1CNC(=O)[C@H]1NC(=O)CNC1=O	ZINC000644149526	34/65/60/409346560	ZVOWHJRELPDTOW-MRVPVSSYSA-N	0	251.246	CA	-2.349	0	Anodyne	ref	CAABRN	Cn1ccnc1CNC(=O)[C@H]1NC(=O)CNC1=O	 
Cn1ccnc1CNC(=O)[C@@H]1NC(=O)CNC1=O	ZINC000644149527	34/83/16/409348316	ZVOWHJRELPDTOW-QMMMGPOBSA-N	1	251.246	CA	-2.349	2	Anodyne	low	CAABLO	Cn1cc[nH+]c1CNC(=O)[C@@H]1NC(=O)CNC1=O	 
Cn1ccnc1CNC(=O)[C@@H]1NC(=O)CNC1=O	ZINC000644149527	34/83/08/409348308	ZVOWHJRELPDTOW-QMMMGPOBSA-N	0	251.246	CA	-2.349	0	Anodyne	ref	CAABRN	Cn1ccnc1CNC(=O)[C@@H]1NC(=O)CNC1=O