CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000003861047	49/47/63/206494763	LPTITAGPBXDDGR-LYYZXLFJSA-N	0	390.341	GB	-0.367	0	Anodyne	ref	GBAARN	CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	in-vitro
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000004081872	14/60/22/212146022	QCTHLCFVVACBSA-JVNHZCFISA-N	0	379.365	GB	-0.576	0	Anodyne	ref	GBAARN	CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O	in-vitro
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004262101	26/01/96/206260196	LPTITAGPBXDDGR-IBEHDNSVSA-N	0	390.341	GB	-0.367	0	Anodyne	ref	GBAARN	CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	in-man endogenous
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000004282223	51/24/05/206512405	QCTHLCFVVACBSA-SOVHRIKKSA-N	0	379.365	GB	-0.576	0	Anodyne	ref	GBAARN	CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@H](O)[C@@H]1O	in-vitro
CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O	ZINC000004899610	42/16/12/570421612	IBMVEYRWAWIOTN-AVGNSLFASA-N	0	384.481	GB	-0.817	3	Anodyne	high	GBAAHN	CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	 
CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O	ZINC000004899610	42/16/09/570421609	IBMVEYRWAWIOTN-AVGNSLFASA-N	1	384.481	GB	-0.817	0	Anodyne	ref	GBAARO	CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	 
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000013425099	06/07/76/210060776	LPTITAGPBXDDGR-OWYFMNJBSA-N	0	390.341	GB	-0.367	0	Anodyne	ref	GBAARN	CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	in-vitro
NC(N)=NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000035024591	54/85/47/570548547	IUMFVSMNETWFNX-KGLIPLIRSA-N	1	391.432	GB	-0.095	1	Mild	mid	GBEBMO	NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	 
NC(N)=NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000035024591	54/85/35/570548535	IUMFVSMNETWFNX-KGLIPLIRSA-N	2	391.432	GB	-0.095	0	Mild	ref	GBEBRP	NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	 
NC(N)=NCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000035024594	54/86/89/570548689	IUMFVSMNETWFNX-ZIAGYGMSSA-N	1	391.432	GB	-0.095	1	Mild	mid	GBEBMO	NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	 
NC(N)=NCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000035024594	54/86/88/570548688	IUMFVSMNETWFNX-ZIAGYGMSSA-N	2	391.432	GB	-0.095	0	Mild	ref	GBEBRP	NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	 
CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O)cc1	ZINC000064219488	75/36/62/570753662	YSCICEYTNFLQFG-KGLIPLIRSA-N	0	379.417	GB	-0.686	3	Anodyne	high	GBABHN	CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-])cc1	 
CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O)cc1	ZINC000064219488	75/36/61/570753661	YSCICEYTNFLQFG-KGLIPLIRSA-N	1	379.417	GB	-0.686	0	Anodyne	ref	GBABRO	CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-])cc1	 
CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O)cc1	ZINC000064219490	75/36/40/570753640	YSCICEYTNFLQFG-ZIAGYGMSSA-N	0	379.417	GB	-0.686	3	Anodyne	high	GBABHN	CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-])cc1	 
CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O)cc1	ZINC000064219490	75/36/37/570753637	YSCICEYTNFLQFG-ZIAGYGMSSA-N	1	379.417	GB	-0.686	0	Anodyne	ref	GBABRO	CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-])cc1