CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1	ZINC000000002176	66/83/43/180668343	BLJRIMJGRPQVNF-JTQLQIEISA-N	1	316.427	DC	0.502	0	Anodyne	ref	DCAARO	CC(C)(C)[NH2+]C[C@H](O)COc1nsnc1N1CCOCC1	fda
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl	ZINC000000113382	51/07/03/580510703	WIIZWVCIJKGZOK-RKDXNWHRSA-N	-1	323.132	DC	0.909	3	Reactive	high	DCGAHM	O=C([N-][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl	fda
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl	ZINC000000113382	51/06/96/580510696	WIIZWVCIJKGZOK-RKDXNWHRSA-N	0	323.132	DC	0.909	0	Reactive	ref	DCGARN	O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl	fda
COc1cc(CN2CCNC(=O)[C@H]2CC(=O)O)cc(OC)c1	ZINC000001236589	68/07/26/395680726	RXOCYZSKLDMEMZ-CYBMUJFWSA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1cc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc(OC)c1	 
COc1cc(CN2CCNC(=O)[C@H]2CC(=O)O)cc(OC)c1	ZINC000001236589	68/07/25/395680725	RXOCYZSKLDMEMZ-CYBMUJFWSA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1cc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc(OC)c1	 
COc1cc(CN2CCNC(=O)[C@H]2CC(=O)O)cc(OC)c1	ZINC000001236589	68/07/24/395680724	RXOCYZSKLDMEMZ-CYBMUJFWSA-N	-1	308.334	DC	0.479	0	Anodyne	ref	DCAARM	COc1cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc(OC)c1	 
COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc(OC)c1	ZINC000001236591	68/06/93/395680693	RXOCYZSKLDMEMZ-ZDUSSCGKSA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1cc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc(OC)c1	 
COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc(OC)c1	ZINC000001236591	68/06/92/395680692	RXOCYZSKLDMEMZ-ZDUSSCGKSA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1cc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc(OC)c1	 
COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc(OC)c1	ZINC000001236591	68/06/91/395680691	RXOCYZSKLDMEMZ-ZDUSSCGKSA-N	-1	308.334	DC	0.479	0	Anodyne	ref	DCAARM	COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc(OC)c1	 
COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1OC	ZINC000001236593	29/76/73/295297673	IVXJAXDNDTZWLE-LLVKDONJSA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1OC	 
COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1OC	ZINC000001236593	29/76/70/295297670	IVXJAXDNDTZWLE-LLVKDONJSA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1OC	 
COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1OC	ZINC000001236593	29/76/62/295297662	IVXJAXDNDTZWLE-LLVKDONJSA-N	-1	308.334	DC	0.479	0	Anodyne	ref	DCAARM	COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1OC	 
COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1OC	ZINC000001236595	29/76/95/295297695	IVXJAXDNDTZWLE-NSHDSACASA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1OC	 
COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1OC	ZINC000001236595	29/76/91/295297691	IVXJAXDNDTZWLE-NSHDSACASA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1OC	 
COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1OC	ZINC000001236595	29/76/87/295297687	IVXJAXDNDTZWLE-NSHDSACASA-N	-1	308.334	DC	0.479	0	Anodyne	ref	DCAARM	COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1OC	 
COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1OC	ZINC000001236687	68/06/38/395680638	FDEWUQADCXNEKR-LLVKDONJSA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1OC	 
COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1OC	ZINC000001236687	68/06/37/395680637	FDEWUQADCXNEKR-LLVKDONJSA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1OC	 
COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1OC	ZINC000001236687	68/06/36/395680636	FDEWUQADCXNEKR-LLVKDONJSA-N	-1	308.334	DC	0.479	0	Anodyne	ref	DCAARM	COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1OC	 
COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1OC	ZINC000001236689	68/06/21/395680621	FDEWUQADCXNEKR-NSHDSACASA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1OC	 
COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1OC	ZINC000001236689	68/06/20/395680620	FDEWUQADCXNEKR-NSHDSACASA-N	0	308.334	DC	0.479	2	Anodyne	low	DCAALN	COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1OC	 
COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1OC	ZINC000001236689	68/06/19/395680619	FDEWUQADCXNEKR-NSHDSACASA-N	-1	308.334	DC	0.479	0	Anodyne	ref	DCAARM	COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1OC	 
Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C	ZINC000001782155	89/56/83/180895683	LVWZTYCIRDMTEY-UHFFFAOYSA-N	-1	311.363	DC	0.766	0	Anodyne	ref	DCAARM	Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C	world
CN1CCN(C(=O)c2cccc(NC(=O)CCC(=O)O)c2)CC1	ZINC000014554088	68/96/30/395689630	ITWCFXXYOKHJBT-UHFFFAOYSA-N	0	319.361	DC	0.877	1	Anodyne	mid	DCAAMN	C[NH+]1CCN(C(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)CC1	 
CN1CCN(C(=O)c2cccc(NC(=O)CCC(=O)O)c2)CC1	ZINC000014554088	68/96/29/395689629	ITWCFXXYOKHJBT-UHFFFAOYSA-N	-1	319.361	DC	0.877	0	Anodyne	ref	DCAARM	CN1CCN(C(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)CC1	 
CC(=O)OCc1c(COC(C)=O)[n+](=O)c2ccccc2n1O	ZINC000100011700	76/22/74/395762274	SLXBTPJDZAYCPX-UHFFFAOYSA-N	1	307.282	DC	0.919	0	Anodyne	ref	DCAARO	CC(=O)OCc1c(COC(C)=O)[n+](=O)c2ccccc2n1O	in-vitro