Cc1ccc2c([nH]c(=O)c3c(=O)cc(C(=O)OCCC(C)C)oc32)c1C	ZINC000000538285	30/48/52/219304852	NFQIAEMCQGTTIR-UHFFFAOYSA-N	0	355.39	FG	3.454	0	Bother	ref	FGBARN	Cc1ccc2c([nH]c(=O)c3c(=O)cc(C(=O)OCCC(C)C)oc32)c1C	world
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2	ZINC000000608233	30/58/74/219305874	QUCQEUCGKKTEBI-UHFFFAOYSA-N	1	352.41	FG	3.385	0	Anodyne	ref	FGAARO	COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2	biogenic in-vivo
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O	ZINC000000899824	07/01/53/291070153	VFLDPWHFBUODDF-FCXRPNKRSA-N	0	368.385	FG	3.37	1	Mild	mid	FGEAMN	COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)ccc1O	aggregator investigational endogenous
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O	ZINC000000899824	07/01/52/291070152	VFLDPWHFBUODDF-FCXRPNKRSA-N	0	368.385	FG	3.37	0	Mild	ref	FGEARN	COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O	aggregator investigational endogenous
CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000000968326	34/73/47/219347347	HYAFETHFCAUJAY-KRWDZBQOSA-N	0	356.447	FG	3.16	2	Anodyne	low	FGAALN	CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	fda
CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1	ZINC000000968326	34/73/42/219347342	HYAFETHFCAUJAY-KRWDZBQOSA-N	-1	356.447	FG	3.16	0	Anodyne	ref	FGAARM	CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1	fda
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000000968327	78/01/28/493780128	HYAFETHFCAUJAY-QGZVFWFLSA-N	0	356.447	FG	3.16	2	Anodyne	low	FGAALN	CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	fda
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1	ZINC000000968327	78/01/22/493780122	HYAFETHFCAUJAY-QGZVFWFLSA-N	-1	356.447	FG	3.16	0	Anodyne	ref	FGAARM	CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1	fda
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	ZINC000001649340	36/43/32/210364332	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	0	354.458	FG	3.202	0	Anodyne	ref	FGAARN	CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	investigational
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1	ZINC000003813061	11/02/94/204110294	MAEIEVLCKWDQJH-UHFFFAOYSA-N	-1	364.423	FG	3.037	0	Anodyne	ref	FGAARM	CCCCNc1cc(C(=O)[O-])cc(S(N)(=O)=O)c1Oc1ccccc1	fda
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O	ZINC000003813088	85/81/97/493858197	GMVPRGQOIOIIMI-DWKJAMRDSA-N	-1	354.487	FG	3.475	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	fda endogenous
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000003830713	49/49/61/210494961	XEYBRNLFEZDVAW-ARSRFYASSA-N	-1	352.471	FG	3.251	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	fda endogenous
Brc1cnc(I)c(Br)c1	ZINC000016125067	17/81/19/220178119	PZQKNKIWCXCOCY-UHFFFAOYSA-N	0	362.79	FG	3.211	0	Anodyne	ref	FGAARN	Brc1cnc(I)c(Br)c1	 
OCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364222	25/35/61/220253561	ZQDWXGKKHFNSQK-NRFANRHFSA-N	1	374.912	FG	3.056	2	Anodyne	low	FGAALO	OCCOCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
OCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364222	25/35/58/220253558	ZQDWXGKKHFNSQK-NRFANRHFSA-N	1	374.912	FG	3.056	1	Anodyne	mid	FGAAMO	OCCOCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
OCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364222	25/35/52/220253552	ZQDWXGKKHFNSQK-NRFANRHFSA-N	0	374.912	FG	3.056	0	Anodyne	ref	FGAARN	OCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
OCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364224	44/40/53/494444053	ZQDWXGKKHFNSQK-OAQYLSRUSA-N	1	374.912	FG	3.056	2	Anodyne	low	FGAALO	OCCOCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
OCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364224	44/40/47/494444047	ZQDWXGKKHFNSQK-OAQYLSRUSA-N	1	374.912	FG	3.056	1	Anodyne	mid	FGAAMO	OCCOCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
OCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000019364224	44/40/40/494444040	ZQDWXGKKHFNSQK-OAQYLSRUSA-N	0	374.912	FG	3.056	0	Anodyne	ref	FGAARN	OCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	fda
CN1CCN(C(=O)c2ccccc2Nc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000021984155	51/24/09/494512409	AUVPMQOLBZFPLV-UHFFFAOYSA-N	1	374.828	FG	3.379	1	Bother	mid	FGBBMO	C[NH+]1CCN(C(=O)c2ccccc2Nc2ccc(Cl)cc2[N+](=O)[O-])CC1	 
CN1CCN(C(=O)c2ccccc2Nc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000021984155	51/24/03/494512403	AUVPMQOLBZFPLV-UHFFFAOYSA-N	0	374.828	FG	3.379	0	Bother	ref	FGBBRN	CN1CCN(C(=O)c2ccccc2Nc2ccc(Cl)cc2[N+](=O)[O-])CC1	 
Cc1nn(C)c(N(C)C)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1	ZINC000028473390	66/99/82/527669982	VRTAOLWUVIWOCE-CIAFOILYSA-N	1	372.469	FG	3.301	2	Mild	low	FGEBLO	Cc1nn(C)c(N(C)C)c1/C=[NH+]/OCc1ccc(C(=O)OC(C)(C)C)cc1	 
Cc1nn(C)c(N(C)C)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1	ZINC000028473390	66/99/75/527669975	VRTAOLWUVIWOCE-CIAFOILYSA-N	0	372.469	FG	3.301	0	Mild	ref	FGEBRN	Cc1nn(C)c(N(C)C)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1	 
O=C(OCc1ccccc1)c1cc(I)ccc1O	ZINC000039952458	21/34/92/208213492	SYPYCOBZYRYNPS-UHFFFAOYSA-N	0	354.143	FG	3.354	0	Anodyne	ref	FGABRN	O=C(OCc1ccccc1)c1cc(I)ccc1O	 
O=C1C(=O)c2cc(Br)cnc2-c2ncc(Br)cc21	ZINC000143460492	53/45/37/495534537	IFZAYEPOLKDKNV-UHFFFAOYSA-N	0	367.984	FG	3.048	0	Clean	ref	FGCBRN	O=C1C(=O)c2cc(Br)cnc2-c2ncc(Br)cc21