CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1	ZINC000000049150	54/07/64/462540764	HMNDTWGMDYIPIJ-UHFFFAOYSA-N	0	342.402	EE	2.08	2	Anodyne	low	EEAALN	CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1	 
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1	ZINC000000049150	54/07/58/462540758	HMNDTWGMDYIPIJ-UHFFFAOYSA-N	-1	342.402	EE	2.08	0	Anodyne	ref	EEAARM	CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)s1	 
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000006339389	68/31/78/462683178	WFBJXOSYXVXMGA-SJORKVTESA-N	0	330.428	EE	2.222	1	Anodyne	mid	EEAAMN	O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1	 
O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000006339389	68/31/73/462683173	WFBJXOSYXVXMGA-SJORKVTESA-N	-1	330.428	EE	2.222	0	Anodyne	ref	EEAARM	O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1	 
O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000006339392	68/34/67/462683467	WFBJXOSYXVXMGA-IAGOWNOFSA-N	0	330.428	EE	2.222	1	Anodyne	mid	EEAAMN	O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1	 
O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000006339392	68/34/61/462683461	WFBJXOSYXVXMGA-IAGOWNOFSA-N	-1	330.428	EE	2.222	0	Anodyne	ref	EEAARM	O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1	 
O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000006339411	68/28/07/462682807	WFBJXOSYXVXMGA-IRXDYDNUSA-N	0	330.428	EE	2.222	1	Anodyne	mid	EEAAMN	O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1	 
O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000006339411	68/28/02/462682802	WFBJXOSYXVXMGA-IRXDYDNUSA-N	-1	330.428	EE	2.222	0	Anodyne	ref	EEAARM	O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1	 
O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000006339414	68/29/21/462682921	WFBJXOSYXVXMGA-DLBZAZTESA-N	0	330.428	EE	2.222	1	Anodyne	mid	EEAAMN	O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1	 
O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000006339414	68/29/18/462682918	WFBJXOSYXVXMGA-DLBZAZTESA-N	-1	330.428	EE	2.222	0	Anodyne	ref	EEAARM	O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1	 
COCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1	ZINC000012138568	84/50/14/462845014	XXEJUQWLNZAXJA-UHFFFAOYSA-N	-1	342.351	EE	2.013	0	Anodyne	ref	EEAARM	COCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	 
COCCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1	ZINC000012138699	30/27/79/211302779	VTTGIUMIJSSPSP-UHFFFAOYSA-N	-1	342.351	EE	2.013	0	Anodyne	ref	EEAARM	COCCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1	 
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]	ZINC000085205448	64/08/72/463640872	HYIMSNHJOBLJNT-UHFFFAOYSA-N	0	346.339	EE	2.176	0	Bother	ref	EEBARN	COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]	fda biogenic