O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C(=O)[C@@H]13)O2	ZINC000000429285	23/52/66/374235266	UUKNQAYEDYLCKR-VLXAULBPSA-N	0	322.361	DB	-0.425	1	Anodyne	mid	DBAAMN	O=C([O-])[C@@H]1[C@@H]2C=C[C@@]3(CN(CCC[NH+]4CCOCC4)C(=O)[C@@H]13)O2	 
O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C(=O)[C@@H]13)O2	ZINC000000429285	23/52/45/374235245	UUKNQAYEDYLCKR-VLXAULBPSA-N	-1	322.361	DB	-0.425	0	Anodyne	ref	DBAARM	O=C([O-])[C@@H]1[C@@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C(=O)[C@@H]13)O2	 
Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O	ZINC000001676919	34/85/00/295348500	KRVABEGPNKGLOT-UHFFFAOYSA-N	0	319.286	DB	-0.418	0	Anodyne	ref	DBAARN	Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O	in-vivo
CCOC(=O)CNC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000002083248	24/70/67/374247067	ZOONJGSLKPDXCV-LBPRGKRZSA-N	0	324.333	DB	-0.047	0	Anodyne	ref	DBAARN	CCOC(=O)CNC(=O)[C@H](CO)NC(=O)OCc1ccccc1	 
CCOC(=O)CNC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	ZINC000002271999	25/15/11/374251511	ZOONJGSLKPDXCV-GFCCVEGCSA-N	0	324.333	DB	-0.047	0	Anodyne	ref	DBAARN	CCOC(=O)CNC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	 
O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C(=O)[C@@H]13)O2	ZINC000004991772	18/69/31/181186931	UUKNQAYEDYLCKR-JFILPPLUSA-N	0	322.361	DB	-0.425	1	Anodyne	mid	DBAAMN	O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(CCC[NH+]4CCOCC4)C(=O)[C@@H]13)O2	 
O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C(=O)[C@@H]13)O2	ZINC000004991772	18/69/27/181186927	UUKNQAYEDYLCKR-JFILPPLUSA-N	-1	322.361	DB	-0.425	0	Anodyne	ref	DBAARM	O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C(=O)[C@@H]13)O2	 
CN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	ZINC000032917510	45/98/21/374459821	ASNQSIBASOFEOP-UHFFFAOYSA-N	-1	300.292	DB	-0.163	0	Anodyne	ref	DBAARM	CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	 
O=C(O)C1=C2C(=O)N(CCCN3CCOCC3)C[C@]23C[C@H](C1)O3	ZINC000045796175	26/99/78/257269978	YYWQTWBSBJGFAO-MEDUHNTESA-N	0	322.361	DB	-0.136	1	Anodyne	mid	DBAAMN	O=C([O-])C1=C2C(=O)N(CCC[NH+]3CCOCC3)C[C@]23C[C@H](C1)O3	 
O=C(O)C1=C2C(=O)N(CCCN3CCOCC3)C[C@]23C[C@H](C1)O3	ZINC000045796175	26/99/76/257269976	YYWQTWBSBJGFAO-MEDUHNTESA-N	0	322.361	DB	-0.136	0	Anodyne	ref	DBAARN	O=C([O-])C1=C2C(=O)N(CCCN3CCOCC3)C[C@]23C[C@H](C1)O3	 
O=C(O)C1=C2C(=O)N(CCCN3CCOCC3)C[C@@]23C[C@@H](C1)O3	ZINC000045796176	26/99/40/257269940	YYWQTWBSBJGFAO-BZNIZROVSA-N	0	322.361	DB	-0.136	1	Anodyne	mid	DBAAMN	O=C([O-])C1=C2C(=O)N(CCC[NH+]3CCOCC3)C[C@@]23C[C@@H](C1)O3	 
O=C(O)C1=C2C(=O)N(CCCN3CCOCC3)C[C@@]23C[C@@H](C1)O3	ZINC000045796176	26/99/38/257269938	YYWQTWBSBJGFAO-BZNIZROVSA-N	0	322.361	DB	-0.136	0	Anodyne	ref	DBAARN	O=C([O-])C1=C2C(=O)N(CCCN3CCOCC3)C[C@@]23C[C@@H](C1)O3	 
O=Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c2ccccc12	ZINC000063772486	28/86/94/184288694	WJFHBZYDHHWPRW-VYDRJRHOSA-N	0	307.302	DB	-0.574	0	Anodyne	ref	DBAARN	O=Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c2ccccc12	 
O=Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c2ccccc12	ZINC000063772489	44/16/98/392441698	WJFHBZYDHHWPRW-AIEDFZFUSA-N	0	307.302	DB	-0.574	0	Anodyne	ref	DBAARN	O=Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c2ccccc12	 
O=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c2ccccc12	ZINC000101254786	25/20/58/382252058	WJFHBZYDHHWPRW-KJWHEZOQSA-N	0	307.302	DB	-0.574	0	Anodyne	ref	DBAARN	O=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c2ccccc12	 
O=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c2ccccc12	ZINC000101254795	80/94/89/193809489	WJFHBZYDHHWPRW-ARILJUKYSA-N	0	307.302	DB	-0.574	0	Anodyne	ref	DBAARN	O=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c2ccccc12	 
O=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12	ZINC000149558706	05/06/95/186050695	WJFHBZYDHHWPRW-UXXRCYHCSA-N	0	307.302	DB	-0.574	0	Anodyne	ref	DBAARN	O=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12	 
O=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c2ccccc12	ZINC000169619878	68/50/56/392685056	WJFHBZYDHHWPRW-NIFZNCRKSA-N	0	307.302	DB	-0.574	0	Anodyne	ref	DBAARN	O=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c2ccccc12