CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21	ZINC000000003742	61/53/56/406615356	OGJPXUAPXNRGGI-UHFFFAOYSA-N	-1	319.336	DD	1.268	3	Anodyne	high	DDAAHM	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)cc21	world
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21	ZINC000000003742	61/53/42/406615342	OGJPXUAPXNRGGI-UHFFFAOYSA-N	0	319.336	DD	1.268	0	Anodyne	ref	DDAARN	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21	world
CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1	ZINC000001530729	67/29/23/406672923	VMXUWOKSQNHOCA-LCYFTJDESA-N	0	314.411	DD	1.459	1	Bother	mid	DDBAMN	CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1	in-man
CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1	ZINC000001530729	67/29/16/406672916	VMXUWOKSQNHOCA-LCYFTJDESA-N	1	314.411	DD	1.459	0	Bother	ref	DDBARO	CNC(=C[N+](=O)[O-])NCCSCc1ccc(C[NH+](C)C)o1	in-man
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1	ZINC000001926472	90/19/44/180901944	YMTPGRMYKKKBTG-LLVKDONJSA-N	-1	316.279	DD	1.481	0	Anodyne	ref	DDAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1	ZINC000001926474	90/20/51/180902051	YMTPGRMYKKKBTG-NSHDSACASA-N	-1	316.279	DD	1.481	0	Anodyne	ref	DDAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1	 
O=C1c2ccccc2-c2ccc(C(=O)[C@@H](O)S(=O)(=O)O)cc21	ZINC000002324960	68/53/14/406685314	TVZARGXMZUKYCE-HNNXBMFYSA-N	-1	318.306	DD	1.287	0	Anodyne	ref	DDAARM	O=C1c2ccccc2-c2ccc(C(=O)[C@@H](O)S(=O)(=O)[O-])cc21	 
O=C1c2ccccc2-c2ccc(C(=O)[C@H](O)S(=O)(=O)O)cc21	ZINC000002324961	68/50/41/406685041	TVZARGXMZUKYCE-OAHLLOKOSA-N	-1	318.306	DD	1.287	0	Anodyne	ref	DDAARM	O=C1c2ccccc2-c2ccc(C(=O)[C@H](O)S(=O)(=O)[O-])cc21	 
O[C@@H](CNC[C@@H](O)COc1ccccc1)COc1ccccc1	ZINC000003145183	71/12/87/406711287	VLWOYPVPCIUXFG-IYBDPMFKSA-N	0	317.385	DD	1.456	3	Anodyne	high	DDAAHN	O[C@@H](CNC[C@@H](O)COc1ccccc1)COc1ccccc1	 
O[C@@H](CNC[C@@H](O)COc1ccccc1)COc1ccccc1	ZINC000003145183	71/12/74/406711274	VLWOYPVPCIUXFG-IYBDPMFKSA-N	1	317.385	DD	1.456	0	Anodyne	ref	DDAARO	O[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1)COc1ccccc1	 
O[C@@H](CNC[C@H](O)COc1ccccc1)COc1ccccc1	ZINC000003145184	71/01/10/406710110	VLWOYPVPCIUXFG-HOTGVXAUSA-N	0	317.385	DD	1.456	3	Anodyne	high	DDAAHN	O[C@@H](CNC[C@H](O)COc1ccccc1)COc1ccccc1	 
O[C@@H](CNC[C@H](O)COc1ccccc1)COc1ccccc1	ZINC000003145184	71/01/03/406710103	VLWOYPVPCIUXFG-HOTGVXAUSA-N	1	317.385	DD	1.456	0	Anodyne	ref	DDAARO	O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1)COc1ccccc1	 
O[C@H](CNC[C@@H](O)COc1ccccc1)COc1ccccc1	ZINC000003145185	71/40/08/406714008	VLWOYPVPCIUXFG-HZPDHXFCSA-N	0	317.385	DD	1.456	3	Anodyne	high	DDAAHN	O[C@H](CNC[C@@H](O)COc1ccccc1)COc1ccccc1	 
O[C@H](CNC[C@@H](O)COc1ccccc1)COc1ccccc1	ZINC000003145185	71/40/05/406714005	VLWOYPVPCIUXFG-HZPDHXFCSA-N	1	317.385	DD	1.456	0	Anodyne	ref	DDAARO	O[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)COc1ccccc1	 
O=C(O)CCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000012403838	84/36/54/406843654	MTHOJGOAXGZCDV-ZDUSSCGKSA-N	-1	320.345	DD	1.399	0	Anodyne	ref	DDAARM	O=C([O-])CCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1	 
O=C(O)CCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000012403839	84/36/75/406843675	MTHOJGOAXGZCDV-CYBMUJFWSA-N	-1	320.345	DD	1.399	0	Anodyne	ref	DDAARM	O=C([O-])CCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1	 
O=C(O)/C=C/C(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1	ZINC000012403840	20/13/43/518201343	DAFSCTZJTKKQFA-YBJDMEARSA-N	-1	318.329	DD	1.175	0	Anodyne	ref	DDAARM	O=C([O-])/C=C/C(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1	 
O=C(O)/C=C/C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1	ZINC000012403841	75/73/07/181757307	DAFSCTZJTKKQFA-KTRBRXNASA-N	-1	318.329	DD	1.175	0	Anodyne	ref	DDAARM	O=C([O-])/C=C/C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1	 
CCOC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000013624472	86/45/84/406864584	QOIWASGSKDPLJK-OLZOCXBDSA-N	-1	311.378	DD	1.679	0	Anodyne	ref	DDAARM	CCOC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
CCOC(=O)C1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000013624474	86/47/80/406864780	QOIWASGSKDPLJK-STQMWFEESA-N	-1	311.378	DD	1.679	0	Anodyne	ref	DDAARM	CCOC(=O)C1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
CCOC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000013624476	86/46/31/406864631	QOIWASGSKDPLJK-CHWSQXEVSA-N	-1	311.378	DD	1.679	0	Anodyne	ref	DDAARM	CCOC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CCOC(=O)C1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000013624478	86/45/30/406864530	QOIWASGSKDPLJK-QWHCGFSZSA-N	-1	311.378	DD	1.679	0	Anodyne	ref	DDAARM	CCOC(=O)C1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1