COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1	ZINC000000598089	76/57/77/493765777	URCVCIZFVQDVPM-UHFFFAOYSA-N	0	371.418	FG	3.34	1	Anodyne	mid	FGAAMN	COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1	investigational
COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1	ZINC000000598089	76/57/70/493765770	URCVCIZFVQDVPM-UHFFFAOYSA-N	-1	371.418	FG	3.34	0	Anodyne	ref	FGAARM	COc1ccc(S(=O)(=O)[N-]c2cccnc2Nc2ccc(O)cc2)cc1	investigational
CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	ZINC000000602192	76/60/38/493766038	BTIHMVBBUGXLCJ-HNNXBMFYSA-N	0	354.458	FG	3.202	0	Anodyne	ref	FGAARN	CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	in-vitro
O=C(OC[C@H](O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12	ZINC000000607910	07/35/34/291073534	GWOFUCIGLDBNKM-CYBMUJFWSA-N	1	372.808	FG	3.142	2	Anodyne	low	FGAALO	O=C(OC[C@H](O)CO)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12	world aggregator
O=C(OC[C@H](O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12	ZINC000000607910	07/35/22/291073522	GWOFUCIGLDBNKM-CYBMUJFWSA-N	0	372.808	FG	3.142	0	Anodyne	ref	FGAARN	O=C(OC[C@H](O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12	world aggregator
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
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1	ZINC000001050726	30/96/74/210309674	RDFIQTZRJRVFHK-UHFFFAOYSA-N	0	373.261	FG	3.295	0	Anodyne	ref	FGAARN	CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1	 
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1	ZINC000001050726	30/96/80/210309680	RDFIQTZRJRVFHK-UHFFFAOYSA-N	-1	373.261	FG	3.295	3	Anodyne	high	FGAAHM	CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1	 
COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1	ZINC000001487129	01/00/69/204010069	PDTYLGXVBIWRIM-UHFFFAOYSA-N	1	353.401	FG	3.079	0	Anodyne	ref	FGAARO	COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1	 
CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	ZINC000001530751	56/74/54/520567454	XIQVNETUBQGFHX-JOCHJYFZSA-N	0	357.494	FG	3.343	3	Mild	high	FGEAHN	CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	fda
CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	ZINC000001530751	56/74/32/520567432	XIQVNETUBQGFHX-JOCHJYFZSA-N	1	357.494	FG	3.343	0	Mild	ref	FGEARO	CC[NH+](CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	fda
CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	ZINC000001530752	56/89/65/520568965	XIQVNETUBQGFHX-QFIPXVFZSA-N	0	357.494	FG	3.343	3	Mild	high	FGEAHN	CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	fda
CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	ZINC000001530752	56/89/55/520568955	XIQVNETUBQGFHX-QFIPXVFZSA-N	1	357.494	FG	3.343	0	Mild	ref	FGEARO	CC[NH+](CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	fda
O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1	ZINC000001552174	01/24/88/204012488	RRGUKTPIGVIEKM-UHFFFAOYSA-N	0	369.469	FG	3.465	0	Anodyne	ref	FGAARN	O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1	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
c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2	ZINC000001668768	36/56/65/210365665	PEYUIKBAABKQKQ-AFHBHXEDSA-N	0	354.358	FG	3.219	0	Anodyne	ref	FGAARN	c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2	in-man endogenous
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1	ZINC000002019929	37/66/94/210376694	XXRVYAFBUDSLJX-UHFFFAOYSA-N	0	363.797	FG	3.293	0	Anodyne	ref	FGAARN	CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1	world
c1cc2c(cc1[C@H]1OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2	ZINC000002557132	81/10/53/493811053	PEYUIKBAABKQKQ-GOFCXKROSA-N	0	354.358	FG	3.219	0	Anodyne	ref	FGAARN	c1cc2c(cc1[C@H]1OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2	in-man endogenous
COc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O	ZINC000002576433	81/12/37/493811237	VJQOZRFYJNWSFO-CQSZACIVSA-N	0	374.389	FG	3.436	0	Anodyne	ref	FGAARN	COc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O	in-vitro
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
COc1ccnc(C[S@@](=O)c2nc3cc(-n4cccc4)ccc3[nH]2)c1C	ZINC000003813639	85/75/88/493857588	HRRXCXABAPSOCP-SANMLTNESA-N	0	366.446	FG	3.373	0	Anodyne	ref	FGAARN	COc1ccnc(C[S@@](=O)c2nc3cc(-n4cccc4)ccc3[nH]2)c1C	investigational
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O	ZINC000003830200	85/80/37/493858037	GMVPRGQOIOIIMI-QUPGDWQGSA-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-]	in-vitro
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000003830786	11/19/96/204111996	JKKFKPJIXZFSSB-CVYDXHPNSA-N	-1	350.436	FG	3.293	0	Anodyne	ref	FGAARM	C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CCC2=O	in-man
O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21	ZINC000003860918	52/72/69/219527269	BELBBZDIHDAJOR-UHFFFAOYSA-N	0	354.383	FG	3.109	0	Mild	ref	FGEARN	O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21	in-man
CCCC[C@@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000003871836	85/93/99/493859399	PGGUOGKHUUUWAF-ZWKOTPCHSA-N	0	362.47	FG	3.201	0	Mild	ref	FGEARN	CCCC[C@@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1	 
CCCC[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000003871837	85/93/19/493859319	PGGUOGKHUUUWAF-QZTJIDSGSA-N	0	362.47	FG	3.201	0	Mild	ref	FGEARN	CCCC[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1	 
CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000003871838	85/92/95/493859295	PGGUOGKHUUUWAF-ROUUACIJSA-N	0	362.47	FG	3.201	0	Mild	ref	FGEARN	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	aggregator in-vitro
CCCC[C@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000003871839	85/93/01/493859301	PGGUOGKHUUUWAF-MSOLQXFVSA-N	0	362.47	FG	3.201	0	Mild	ref	FGEARN	CCCC[C@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	 
O=C(OC[C@@H](O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12	ZINC000003872687	85/90/53/493859053	GWOFUCIGLDBNKM-ZDUSSCGKSA-N	1	372.808	FG	3.142	2	Anodyne	low	FGAALO	O=C(OC[C@@H](O)CO)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12	world aggregator
O=C(OC[C@@H](O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12	ZINC000003872687	85/90/47/493859047	GWOFUCIGLDBNKM-ZDUSSCGKSA-N	0	372.808	FG	3.142	0	Anodyne	ref	FGAARN	O=C(OC[C@@H](O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12	world aggregator
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O	ZINC000003876186	85/90/75/493859075	JKKFKPJIXZFSSB-CBZIJGRNSA-N	-1	350.436	FG	3.293	0	Anodyne	ref	FGAARM	C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O	fda endogenous
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CCC2=O	ZINC000003876187	85/93/71/493859371	JKKFKPJIXZFSSB-KONPQCLYSA-N	-1	350.436	FG	3.293	0	Anodyne	ref	FGAARM	C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@H]1CCC2=O	 
Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1	ZINC000003950132	38/60/89/132386089	GPSZYOIFQZPWEJ-UHFFFAOYSA-N	0	368.466	FG	3.071	0	Anodyne	ref	FGAARN	Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1	investigational
O=C1OC2(c3ccccc31)c1ccc(O)c(O)c1Oc1c2ccc(O)c1O	ZINC000004416138	87/64/49/493876449	PHLYOKFVXIVOJC-UHFFFAOYSA-N	0	364.309	FG	3.077	0	Clean	ref	FGCARN	O=C1OC2(c3ccccc31)c1ccc(O)c(O)c1Oc1c2ccc(O)c1O	in-vivo
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O	ZINC000004649679	15/15/01/204151501	LBTVHXHERHESKG-UHFFFAOYSA-N	0	372.417	FG	3.209	1	Anodyne	mid	FGAAMN	COc1cc(CCC(=O)C=C(O)CCc2ccc(O)c(OC)c2)ccc1O	in-man endogenous
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O	ZINC000004649679	15/14/96/204151496	LBTVHXHERHESKG-UHFFFAOYSA-N	0	372.417	FG	3.209	0	Anodyne	ref	FGAARN	COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O	in-man endogenous
Cc1c(S(=O)(=O)O)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C	ZINC000006069214	23/60/35/204236035	UJCACMLMPLLRGW-UHFFFAOYSA-N	-1	374.414	FG	3.495	0	Clean	ref	FGCARM	Cc1c(S(=O)(=O)[O-])oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C	in-vitro biogenic
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O	ZINC000006852897	98/35/68/493983568	GMVPRGQOIOIIMI-HXJYNXCLSA-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-]	 
COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O	ZINC000008472480	18/16/67/210181667	VJQOZRFYJNWSFO-AWEZNQCLSA-N	0	374.389	FG	3.436	0	Anodyne	ref	FGAARN	COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O	in-vitro biogenic
COc1ccnc(C[S@](=O)c2nc3cc(-n4cccc4)ccc3[nH]2)c1C	ZINC000009084028	11/39/92/494113992	HRRXCXABAPSOCP-AREMUKBSSA-N	0	366.446	FG	3.373	0	Anodyne	ref	FGAARN	COc1ccnc(C[S@](=O)c2nc3cc(-n4cccc4)ccc3[nH]2)c1C	investigational
c1cc2c(cc1[C@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2	ZINC000018037965	42/19/93/494421993	PEYUIKBAABKQKQ-WZBLMQSHSA-N	0	354.358	FG	3.219	0	Anodyne	ref	FGAARN	c1cc2c(cc1[C@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2	in-man endogenous
O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\O	ZINC000018128386	42/49/07/494424907	DDLZLOKCJHBUHD-WAVHTBQISA-N	-1	356.179	FG	3.416	1	Mild	mid	FGEAMM	O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\[O-]	in-vivo
O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\O	ZINC000018128386	42/49/03/494424903	DDLZLOKCJHBUHD-WAVHTBQISA-N	0	356.179	FG	3.416	0	Mild	ref	FGEARN	O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\O	in-vivo
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
COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2	ZINC000019535046	26/79/44/220267944	AEQDJSLRWYMAQI-QGZVFWFLSA-N	0	355.434	FG	3.377	0	Anodyne	ref	FGAARN	COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2	in-vitro biogenic
COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2	ZINC000019535049	26/89/43/220268943	AEQDJSLRWYMAQI-KRWDZBQOSA-N	0	355.434	FG	3.377	0	Anodyne	ref	FGAARN	COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2	investigational biogenic
Cc1cc([C@@H](C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	ZINC000019862652	46/34/29/494463429	CPRAGQJXBLMUEL-MRXNPFEDSA-N	0	364.449	FG	3.013	0	Anodyne	ref	FGAARN	Cc1cc([C@@H](C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	in-vitro
Cc1cc([C@H](C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	ZINC000019862654	46/25/49/494462549	CPRAGQJXBLMUEL-INIZCTEOSA-N	0	364.449	FG	3.013	0	Anodyne	ref	FGAARN	Cc1cc([C@H](C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1	in-vitro
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC	ZINC000022012325	33/50/27/211335027	UVSWWUWQVAQPJR-UHFFFAOYSA-N	0	368.521	FG	3.497	3	Anodyne	high	FGAAHN	COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC	investigational
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC	ZINC000022012325	33/50/23/211335023	UVSWWUWQVAQPJR-UHFFFAOYSA-N	1	368.521	FG	3.497	0	Anodyne	ref	FGAARO	COc1ccc(CCN2CC[NH+](CCCc3ccccc3)CC2)cc1OC	investigational
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)O	ZINC000034769068	61/99/18/211619918	GMVPRGQOIOIIMI-AIJKCLAYSA-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-]	 
c1cc2c(cc1[C@@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2	ZINC000038147404	76/54/47/206765447	PEYUIKBAABKQKQ-ILWKUFEGSA-N	0	354.358	FG	3.219	0	Anodyne	ref	FGAARN	c1cc2c(cc1[C@@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2	in-man
Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1	ZINC000039129916	12/00/74/494120074	BCZUAADEACICHN-UHFFFAOYSA-N	0	359.418	FG	3.224	0	Anodyne	ref	FGAARN	Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1	investigational
Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	ZINC000040442496	14/25/36/494142536	WJRRGYBTGDJBFX-UHFFFAOYSA-N	1	371.466	FG	3.377	2	Anodyne	low	FGAALO	Cc1[nH+]cc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	in-man
Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	ZINC000040442496	14/25/30/494142530	WJRRGYBTGDJBFX-UHFFFAOYSA-N	0	371.466	FG	3.377	0	Anodyne	ref	FGAARN	Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C	in-man
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O	ZINC000043130413	26/70/13/494267013	RVAQIUULWULRNW-UHFFFAOYSA-N	-1	364.405	FG	3.254	3	Anodyne	high	FGAAHM	CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c([O-])cc1O	investigational
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O	ZINC000043130413	26/70/08/494267008	RVAQIUULWULRNW-UHFFFAOYSA-N	0	364.405	FG	3.254	0	Anodyne	ref	FGAARN	CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O	investigational
CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC	ZINC000043152558	27/12/96/494271296	JHDKZFFAIZKUCU-ZRDIBKRKSA-N	1	358.486	FG	3.239	0	Mild	ref	FGEARO	CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CC[NH+](CC)CC	investigational
COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	ZINC000043199596	27/67/54/494276754	HLXSCTYHLQHQDJ-KRWDZBQOSA-N	0	366.2	FG	3.415	0	Anodyne	ref	FGAARN	COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	in-vitro
COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	ZINC000043199597	30/27/26/208302726	HLXSCTYHLQHQDJ-QGZVFWFLSA-N	0	366.2	FG	3.415	0	Anodyne	ref	FGAARN	COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1	in-vitro
c1cc2c(cc1[C@@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2	ZINC000043458244	18/86/75/210188675	PEYUIKBAABKQKQ-FEBSWUBLSA-N	0	354.358	FG	3.219	0	Anodyne	ref	FGAARN	c1cc2c(cc1[C@@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2	in-man endogenous
CCCCC[C@H](O)/C=C/[C@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O	ZINC000043681923	04/65/95/210046595	GMVPRGQOIOIIMI-ZDHXRDDOSA-N	-1	354.487	FG	3.475	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](CCCCCCC(=O)[O-])C(=O)C[C@H]1O	in-vitro
COc1cccc(-c2cc(NCc3ccc4c(c3)OCO4)nc(N)n2)c1	ZINC000044063027	33/75/18/494337518	FABQUVYDAXWUQP-UHFFFAOYSA-N	1	350.378	FG	3.075	1	Anodyne	mid	FGAAMO	COc1cccc(-c2cc(NCc3ccc4c(c3)OCO4)nc(N)[nH+]2)c1	in-vitro
COc1cccc(-c2cc(NCc3ccc4c(c3)OCO4)nc(N)n2)c1	ZINC000044063027	33/75/15/494337515	FABQUVYDAXWUQP-UHFFFAOYSA-N	0	350.378	FG	3.075	0	Anodyne	ref	FGAARN	COc1cccc(-c2cc(NCc3ccc4c(c3)OCO4)nc(N)n2)c1	in-vitro
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	ZINC000068251434	31/40/53/221314053	SFNSLLSYNZWZQG-VQIMIIECSA-N	1	374.448	FG	3.392	2	Mild	low	FGEALO	C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	investigational
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	ZINC000068251434	31/40/51/221314051	SFNSLLSYNZWZQG-VQIMIIECSA-N	1	374.448	FG	3.392	2	Mild	low	FGEALO	C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	investigational
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	ZINC000068251434	31/40/49/221314049	SFNSLLSYNZWZQG-VQIMIIECSA-N	0	374.448	FG	3.392	0	Mild	ref	FGEARN	CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	investigational
COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F	ZINC000095616286	96/96/16/221969616	ZFLWDHHVRRZMEI-CYBMUJFWSA-N	0	356.3	FG	3.347	0	Anodyne	ref	FGAARN	COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F	in-vivo
COc1cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)cc(C(F)(F)F)c1	ZINC000096170447	06/78/99/222067899	NLNGWFLRRRYNIL-PLNGDYQASA-N	0	355.316	FG	3.395	0	Anodyne	ref	FGAARN	COc1cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)cc(C(F)(F)F)c1	in-vitro
CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000098023167	22/10/16/222221016	DYTOQURYRYYNOR-UHFFFAOYSA-N	1	366.509	FG	3.498	2	Anodyne	low	FGAALO	CC(C)CCNc1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1	 
CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000098023167	22/10/11/222221011	DYTOQURYRYYNOR-UHFFFAOYSA-N	0	366.509	FG	3.498	0	Anodyne	ref	FGAARN	CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1	 
Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1	ZINC000098209140	06/27/84/495062784	BEMNJULZEQTDJY-UHFFFAOYSA-N	1	356.389	FG	3.352	2	Anodyne	low	FGAALO	Cc1[nH]c2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)ccc2[nH+]1	in-vitro
Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1	ZINC000098209140	06/27/81/495062781	BEMNJULZEQTDJY-UHFFFAOYSA-N	1	356.389	FG	3.352	2	Anodyne	low	FGAALO	Cc1[nH]c2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH+]1	in-vitro
Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1	ZINC000098209140	06/27/77/495062777	BEMNJULZEQTDJY-UHFFFAOYSA-N	0	356.389	FG	3.352	0	Anodyne	ref	FGAARN	Cc1nc2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)ccc2[nH]1	in-vitro
COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F	ZINC000100001883	23/21/12/222232112	ZFLWDHHVRRZMEI-ZDUSSCGKSA-N	0	356.3	FG	3.347	0	Anodyne	ref	FGAARN	COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F	in-vivo
O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12	ZINC000101661736	23/42/33/132234233	BYTKNUOMWLJVNQ-UHFFFAOYSA-N	0	371.414	FG	3.129	0	Anodyne	ref	FGAARN	O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12	in-vitro
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@H]1CCC2=O	ZINC000105017316	18/06/68/210180668	JKKFKPJIXZFSSB-HPFXQQBRSA-N	-1	350.436	FG	3.293	0	Anodyne	ref	FGAARM	C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@H]1CCC2=O	 
CC(C)C1=C/C(=C2/NNC(=O)N2c2ccc3c(ccn3C)c2)C(=O)C=C1O	ZINC000109565954	89/09/06/494890906	MWTUOSWPJOUADP-XDJHFCHBSA-N	0	364.405	FG	3.031	0	Mild	ref	FGEARN	CC(C)C1=CC(=C2NNC(=O)N2c2ccc3c(ccn3C)c2)C(=O)CC1=O	in-vitro
COc1cc(-c2ncn(/C=C/C(=O)OC(C)C)n2)cc(C(F)(F)F)c1	ZINC000115889190	65/55/27/494655527	NLNGWFLRRRYNIL-SNAWJCMRSA-N	0	355.316	FG	3.395	0	Anodyne	ref	FGAARN	COc1cc(-c2ncn(/C=C/C(=O)OC(C)C)n2)cc(C(F)(F)F)c1	 
COC(=O)c1ccc2c(c1)[nH]c1ncnc(NCCCN3CCCCC3)c12	ZINC000205794939	62/56/21/222625621	SIBCJMZHJZDUNK-UHFFFAOYSA-N	1	367.453	FG	3.186	0	Anodyne	ref	FGAARO	COC(=O)c1ccc2c(c1)[nH]c1ncnc(NCCC[NH+]3CCCCC3)c12	in-vitro
CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	ZINC000213573342	27/51/94/571275194	SFNSLLSYNZWZQG-QFBILLFUSA-N	1	374.448	FG	3.392	2	Mild	low	FGEALO	C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	 
CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	ZINC000213573342	27/51/92/571275192	SFNSLLSYNZWZQG-QFBILLFUSA-N	1	374.448	FG	3.392	2	Mild	low	FGEALO	C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	 
CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	ZINC000213573342	27/51/90/571275190	SFNSLLSYNZWZQG-QFBILLFUSA-N	0	374.448	FG	3.392	0	Mild	ref	FGEARN	CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1	 
NCCCNc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1	ZINC000223222658	03/28/61/497032861	UYYZTTPXKIYERF-UHFFFAOYSA-N	1	364.457	FG	3.325	0	Anodyne	ref	FGAARO	[NH3+]CCCNc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1	 
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	ZINC000301055013	04/30/75/210043075	SFNSLLSYNZWZQG-APWZRJJASA-N	1	374.448	FG	3.392	2	Mild	low	FGEALO	C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	 
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	ZINC000301055013	04/30/73/210043073	SFNSLLSYNZWZQG-APWZRJJASA-N	1	374.448	FG	3.392	2	Mild	low	FGEALO	C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	 
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	ZINC000301055013	04/30/67/210043067	SFNSLLSYNZWZQG-APWZRJJASA-N	0	374.448	FG	3.392	0	Mild	ref	FGEARN	CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	 
CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	ZINC000301055014	80/58/84/529805884	SFNSLLSYNZWZQG-LPHOPBHVSA-N	1	374.448	FG	3.392	2	Mild	low	FGEALO	C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1