C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1	ZINC000000305598	12/68/56/415126856	XCVMKCYUNNAQAM-UHFFFAOYSA-N	0	303.414	DC	0.482	3	Anodyne	high	DCAAHN	C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1	 
C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1	ZINC000000305598	12/68/47/415126847	XCVMKCYUNNAQAM-UHFFFAOYSA-N	2	303.414	DC	0.482	1	Anodyne	mid	DCAAMP	C1CCN(c2nc(N3CC[NH2+]CC3)nc(N3CCCC3)[nH+]2)C1	 
C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1	ZINC000000305598	12/68/31/415126831	XCVMKCYUNNAQAM-UHFFFAOYSA-N	1	303.414	DC	0.482	0	Anodyne	ref	DCAARO	C1CCN(c2nc(N3CCCC3)nc(N3CC[NH2+]CC3)n2)C1	 
C=CC[C@H]1N(CCCOC)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3	ZINC000004099732	12/80/96/415128096	BZHVGNCPPJLVLZ-GUYIQFIESA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@H]1N(CCCOC)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	 
C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3	ZINC000004099735	13/05/52/415130552	BZHVGNCPPJLVLZ-WUGLTUCPSA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	 
O=C(Nc1snnc1C(=O)O)Nc1snnc1C(=O)O	ZINC000008694242	02/28/95/304022895	LZGOMDYCURBEHX-UHFFFAOYSA-N	-2	316.28	DC	0.43	0	Anodyne	ref	DCABRL	O=C(Nc1snnc1C(=O)[O-])Nc1snnc1C(=O)[O-]	 
CC(=O)C1=C(O)C(=O)N(CCCNCCO)[C@@H]1c1ccccc1	ZINC000019798483	15/06/55/182150655	AKIHMXJLIYUOEU-OAHLLOKOSA-N	1	318.373	DC	0.943	0	Mild	ref	DCEBRO	CC(=O)C1=C(O)C(=O)N(CCC[NH2+]CCO)[C@@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCCNCCO)[C@H]1c1ccccc1	ZINC000019798484	15/06/18/182150618	AKIHMXJLIYUOEU-HNNXBMFYSA-N	1	318.373	DC	0.943	0	Mild	ref	DCEBRO	CC(=O)C1=C(O)C(=O)N(CCC[NH2+]CCO)[C@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCNCCO)[C@@H]1c1ccccc1	ZINC000019798485	15/07/99/182150799	QEEVEESGESRIHZ-CQSZACIVSA-N	0	304.346	DC	0.553	3	Mild	high	DCEBHN	CC(=O)C1=C(O)C(=O)N(CCNCCO)[C@@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCNCCO)[C@@H]1c1ccccc1	ZINC000019798485	15/07/97/182150797	QEEVEESGESRIHZ-CQSZACIVSA-N	0	304.346	DC	0.553	0	Mild	ref	DCEBRN	CC(=O)C1=C(O)C(=O)N(CC[NH2+]CCO)[C@@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCNCCO)[C@H]1c1ccccc1	ZINC000019798486	15/08/29/182150829	QEEVEESGESRIHZ-AWEZNQCLSA-N	0	304.346	DC	0.553	3	Mild	high	DCEBHN	CC(=O)C1=C(O)C(=O)N(CCNCCO)[C@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCNCCO)[C@H]1c1ccccc1	ZINC000019798486	15/08/28/182150828	QEEVEESGESRIHZ-AWEZNQCLSA-N	0	304.346	DC	0.553	0	Mild	ref	DCEBRN	CC(=O)C1=C(O)C(=O)N(CC[NH2+]CCO)[C@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCOCCO)[C@@H]1c1ccccc1	ZINC000020314877	20/58/06/182205806	FTNIOXRIRVRZSU-CQSZACIVSA-N	0	305.33	DC	0.98	0	Mild	ref	DCEBRN	CC(=O)C1=C(O)C(=O)N(CCOCCO)[C@@H]1c1ccccc1	 
CC(=O)C1=C(O)C(=O)N(CCOCCO)[C@H]1c1ccccc1	ZINC000020314882	20/56/81/182205681	FTNIOXRIRVRZSU-AWEZNQCLSA-N	0	305.33	DC	0.98	0	Mild	ref	DCEBRN	CC(=O)C1=C(O)C(=O)N(CCOCCO)[C@H]1c1ccccc1	 
C[C@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)O	ZINC000071405157	11/38/90/396113890	ZVKYCXIUVDEVMO-JTQLQIEISA-N	0	306.37	DC	0.957	2	Anodyne	low	DCABLN	C[C@H](Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1)C(=O)[O-]	 
C[C@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)O	ZINC000071405157	11/38/85/396113885	ZVKYCXIUVDEVMO-JTQLQIEISA-N	0	306.37	DC	0.957	1	Anodyne	mid	DCABMN	C[C@H](Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)C(=O)[O-]	 
C[C@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)O	ZINC000071405157	11/38/80/396113880	ZVKYCXIUVDEVMO-JTQLQIEISA-N	-1	306.37	DC	0.957	0	Anodyne	ref	DCABRM	C[C@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)[O-]	 
C[C@@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)O	ZINC000071405158	11/33/48/396113348	ZVKYCXIUVDEVMO-SNVBAGLBSA-N	0	306.37	DC	0.957	2	Anodyne	low	DCABLN	C[C@@H](Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1)C(=O)[O-]	 
C[C@@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)O	ZINC000071405158	11/33/43/396113343	ZVKYCXIUVDEVMO-SNVBAGLBSA-N	0	306.37	DC	0.957	1	Anodyne	mid	DCABMN	C[C@@H](Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)C(=O)[O-]	 
C[C@@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)O	ZINC000071405158	11/33/37/396113337	ZVKYCXIUVDEVMO-SNVBAGLBSA-N	-1	306.37	DC	0.957	0	Anodyne	ref	DCABRM	C[C@@H](Nc1nc(N2CCCC2)nc(N2CCCC2)n1)C(=O)[O-]	 
C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3	ZINC000239562540	33/02/34/416330234	BZHVGNCPPJLVLZ-FDZNKFEOSA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	 
C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3	ZINC000239562542	33/00/60/416330060	BZHVGNCPPJLVLZ-QCPCCJPKSA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@@H]1N(CCCOC)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	 
C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3	ZINC000239562544	32/99/21/416329921	BZHVGNCPPJLVLZ-ZUSNOYAUSA-N	-1	307.346	DC	0.834	0	Mild	ref	DCEARM	C=CC[C@@H]1N(CCCOC)C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@]21O3	 
O=C(NC1CCCCC1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000261338444	74/16/15/303741615	ARMAVMZGUZJQPS-NWDGAFQWSA-N	1	301.412	DC	0.1	2	Anodyne	low	DCABLO	O=C(NC1CCCCC1)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
O=C(NC1CCCCC1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000261338444	74/16/10/303741610	ARMAVMZGUZJQPS-NWDGAFQWSA-N	0	301.412	DC	0.1	0	Anodyne	ref	DCABRN	O=C(NC1CCCCC1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
CCOC(=O)Cn1cc(-c2snnc2C(=O)OCC)nn1	ZINC000261338475	07/10/41/203071041	IPIJGUATUZHADL-UHFFFAOYSA-N	0	311.323	DC	0.536	0	Anodyne	ref	DCABRN	CCOC(=O)Cn1cc(-c2snnc2C(=O)OCC)nn1	 
O=C(c1ccc(Cl)cc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000261338541	07/00/09/203070009	ZMMGPLAXIOUYJT-NWDGAFQWSA-N	1	314.794	DC	0.551	2	Anodyne	low	DCABLO	O=C(c1ccc(Cl)cc1)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
O=C(c1ccc(Cl)cc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000261338541	07/00/07/203070007	ZMMGPLAXIOUYJT-NWDGAFQWSA-N	0	314.794	DC	0.551	0	Anodyne	ref	DCABRN	O=C(c1ccc(Cl)cc1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21