C=CCO[C@H]1[C@@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12	ZINC000002524520	48/46/67/570484667	DPWZGYIZQCRJHC-HQZQWKOLSA-N	0	390.476	GE	2.323	0	Mild	ref	GEEARN	C=CCO[C@H]1[C@@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12	 
O=C(O)c1cc(I)c(O)c(I)c1	ZINC000004099416	51/16/51/531511651	XREKTVACBXQCSB-UHFFFAOYSA-N	-2	389.914	GE	2.3	1	Anodyne	mid	GEAAML	O=C([O-])c1cc(I)c([O-])c(I)c1	in-vitro
O=C(O)c1cc(I)c(O)c(I)c1	ZINC000004099416	51/16/40/531511640	XREKTVACBXQCSB-UHFFFAOYSA-N	-1	389.914	GE	2.3	0	Anodyne	ref	GEAARM	O=C([O-])c1cc(I)c(O)c(I)c1	in-vitro
C=CCO[C@@H]1[C@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]21	ZINC000004100809	21/54/35/206215435	DPWZGYIZQCRJHC-JRBOJVLQSA-N	0	390.476	GE	2.323	0	Mild	ref	GEEARN	C=CCO[C@@H]1[C@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]21	 
C=CCO[C@H]1[C@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12	ZINC000004100811	12/14/01/209121401	DPWZGYIZQCRJHC-ZZAJFKAYSA-N	0	390.476	GE	2.323	0	Mild	ref	GEEARN	C=CCO[C@H]1[C@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12	 
C=CCO[C@@H]1[C@@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12	ZINC000004100812	04/17/54/571041754	DPWZGYIZQCRJHC-OXVGXARHSA-N	0	390.476	GE	2.323	0	Mild	ref	GEEARN	C=CCO[C@@H]1[C@@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12	 
Nc1c(I)cc(I)cc1C(=O)O	ZINC000004271976	51/29/25/531512925	RFIBDMCPIREZKC-UHFFFAOYSA-N	-1	388.93	GE	2.176	0	Anodyne	ref	GEAARM	Nc1c(I)cc(I)cc1C(=O)[O-]	 
COC(=O)[C@@H](CN1CCN(C)CC1)[C@H](O)c1cc(-c2ccccc2Cl)on1	ZINC000096316093	22/87/83/570228783	IPNZWUHFAVPORJ-KSSFIOAISA-N	0	393.871	GE	2.065	1	Anodyne	mid	GEAAMN	COC(=O)[C@@H](CN1CCN(C)CC1)[C@H](O)c1cc(-c2ccccc2Cl)on1	 
COC(=O)[C@@H](CN1CCN(C)CC1)[C@H](O)c1cc(-c2ccccc2Cl)on1	ZINC000096316093	22/87/79/570228779	IPNZWUHFAVPORJ-KSSFIOAISA-N	1	393.871	GE	2.065	0	Anodyne	ref	GEAARO	COC(=O)[C@@H](CN1CC[NH+](C)CC1)[C@H](O)c1cc(-c2ccccc2Cl)on1	 
COC(=O)[C@H](CN1CCN(C)CC1)[C@H](O)c1cc(-c2ccccc2Cl)on1	ZINC000096316094	30/71/91/208307191	IPNZWUHFAVPORJ-KDOFPFPSSA-N	0	393.871	GE	2.065	1	Anodyne	mid	GEAAMN	COC(=O)[C@H](CN1CCN(C)CC1)[C@H](O)c1cc(-c2ccccc2Cl)on1	 
COC(=O)[C@H](CN1CCN(C)CC1)[C@H](O)c1cc(-c2ccccc2Cl)on1	ZINC000096316094	30/71/87/208307187	IPNZWUHFAVPORJ-KDOFPFPSSA-N	1	393.871	GE	2.065	0	Anodyne	ref	GEAARO	COC(=O)[C@H](CN1CC[NH+](C)CC1)[C@H](O)c1cc(-c2ccccc2Cl)on1	 
COC(=O)[C@@H](CN1CCN(C)CC1)[C@@H](O)c1cc(-c2ccccc2Cl)on1	ZINC000096316095	22/90/05/570229005	IPNZWUHFAVPORJ-KBXCAEBGSA-N	0	393.871	GE	2.065	1	Anodyne	mid	GEAAMN	COC(=O)[C@@H](CN1CCN(C)CC1)[C@@H](O)c1cc(-c2ccccc2Cl)on1	 
COC(=O)[C@@H](CN1CCN(C)CC1)[C@@H](O)c1cc(-c2ccccc2Cl)on1	ZINC000096316095	22/90/01/570229001	IPNZWUHFAVPORJ-KBXCAEBGSA-N	1	393.871	GE	2.065	0	Anodyne	ref	GEAARO	COC(=O)[C@@H](CN1CC[NH+](C)CC1)[C@@H](O)c1cc(-c2ccccc2Cl)on1	 
COC(=O)[C@H](CN1CCN(C)CC1)[C@@H](O)c1cc(-c2ccccc2Cl)on1	ZINC000096316096	30/61/99/208306199	IPNZWUHFAVPORJ-RDTXWAMCSA-N	0	393.871	GE	2.065	1	Anodyne	mid	GEAAMN	COC(=O)[C@H](CN1CCN(C)CC1)[C@@H](O)c1cc(-c2ccccc2Cl)on1	 
COC(=O)[C@H](CN1CCN(C)CC1)[C@@H](O)c1cc(-c2ccccc2Cl)on1	ZINC000096316096	30/61/92/208306192	IPNZWUHFAVPORJ-RDTXWAMCSA-N	1	393.871	GE	2.065	0	Anodyne	ref	GEAARO	COC(=O)[C@H](CN1CC[NH+](C)CC1)[C@@H](O)c1cc(-c2ccccc2Cl)on1	 
C=CCO[C@H]1[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000239562578	43/03/67/570430367	DPWZGYIZQCRJHC-BCRJPVCJSA-N	0	390.476	GE	2.323	0	Mild	ref	GEEARN	C=CCO[C@H]1[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O	 
C=CCO[C@@H]1[C@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]21	ZINC000239562579	43/03/42/570430342	DPWZGYIZQCRJHC-WMDQAZIPSA-N	0	390.476	GE	2.323	0	Mild	ref	GEEARN	C=CCO[C@@H]1[C@H](O)[C@H](O)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]21	 
C=CCO[C@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000239562580	00/01/36/519000136	DPWZGYIZQCRJHC-ZWJPJJENSA-N	0	390.476	GE	2.323	0	Mild	ref	GEEARN	C=CCO[C@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O