CC(C)(C)NC[C@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1	ZINC000000538582	30/43/77/219304377	MXFWWQICDIZSOA-KRWDZBQOSA-N	1	363.502	FG	3.269	0	Anodyne	ref	FGAARO	CC(C)(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1	world
COCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1	ZINC000000585304	30/50/60/219305060	SADNVKRDSWWFTK-UHFFFAOYSA-N	0	352.478	FG	3.373	3	Anodyne	high	FGAAHN	COCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1	in-vitro
COCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1	ZINC000000585304	30/50/54/219305054	SADNVKRDSWWFTK-UHFFFAOYSA-N	1	352.478	FG	3.373	0	Anodyne	ref	FGAARO	COCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1	in-vitro
CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3[C@]2(c2ccccc2)O1	ZINC000000601291	76/59/16/493765916	PWAJCNITSBZRBL-FQEVSTJZSA-N	0	368.82	FG	3.28	0	Anodyne	ref	FGAARN	CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3[C@]2(c2ccccc2)O1	world
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
N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2n[nH]nc12	ZINC000000603064	25/16/99/210251699	SEDUMQWZEOMXSO-UHFFFAOYSA-N	-1	357.171	FG	3.236	3	Mild	high	FGEAHM	N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2n[n-]nc12	investigational
N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2n[nH]nc12	ZINC000000603064	25/16/95/210251695	SEDUMQWZEOMXSO-UHFFFAOYSA-N	-1	357.171	FG	3.236	3	Mild	high	FGEAHM	N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2[n-]nnc12	investigational
N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2n[nH]nc12	ZINC000000603064	25/16/94/210251694	SEDUMQWZEOMXSO-UHFFFAOYSA-N	-1	357.171	FG	3.236	3	Mild	high	FGEAHM	N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2nn[n-]c12	investigational
N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2n[nH]nc12	ZINC000000603064	25/16/90/210251690	SEDUMQWZEOMXSO-UHFFFAOYSA-N	0	357.171	FG	3.236	0	Mild	ref	FGEARN	N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2n[nH]nc12	investigational
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	ZINC000000607911	76/55/72/493765572	RUZIUYOSRDWYQF-HNNXBMFYSA-N	1	355.434	FG	3.473	1	Anodyne	mid	FGAAMO	COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3	in-man biogenic
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	ZINC000000607911	76/55/71/493765571	RUZIUYOSRDWYQF-HNNXBMFYSA-N	1	355.434	FG	3.473	1	Anodyne	mid	FGAAMO	COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3	in-man biogenic
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	ZINC000000607911	76/55/70/493765570	RUZIUYOSRDWYQF-HNNXBMFYSA-N	0	355.434	FG	3.473	0	Anodyne	ref	FGAARN	COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	in-man biogenic
Cc1nc2ccccc2n1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000860697	33/21/55/219332155	DLUVMRPVZILBOE-UHFFFAOYSA-N	0	351.771	FG	3.143	0	Bother	ref	FGBARN	Cc1nc2ccccc2n1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	in-vitro
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
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1	ZINC000001167681	38/06/86/132380686	LSPJXCGEFJDMHA-UHFFFAOYSA-N	0	363.776	FG	3.35	0	Bother	ref	FGBARN	O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1	in-vitro
O=C1Nc2ccc(Br)cc2C(c2ccccc2Cl)=N[C@H]1O	ZINC000001513991	79/60/56/493796056	KRJKJUWAZOWXNV-HNNXBMFYSA-N	0	365.614	FG	3.21	0	Anodyne	ref	FGAARN	O=C1Nc2ccc(Br)cc2C(c2ccccc2Cl)=N[C@H]1O	in-vitro
O=C1Nc2ccc(Br)cc2C(c2ccccc2Cl)=N[C@@H]1O	ZINC000001513994	79/57/08/493795708	KRJKJUWAZOWXNV-OAHLLOKOSA-N	0	365.614	FG	3.21	0	Anodyne	ref	FGAARN	O=C1Nc2ccc(Br)cc2C(c2ccccc2Cl)=N[C@@H]1O	in-vitro
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)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1C#N	ZINC000001842330	79/88/36/493798836	FBMYKMYQHCBIGU-GOSISDBHSA-N	1	363.461	FG	3.39	0	Mild	ref	FGEARO	CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)COc1ccccc1C#N	investigational
CC(C)(C)NC[C@@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1	ZINC000001846283	02/10/27/204021027	MXFWWQICDIZSOA-QGZVFWFLSA-N	1	363.502	FG	3.269	0	Anodyne	ref	FGAARO	CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1	world
CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3[C@@]2(c2ccccc2)O1	ZINC000002012726	37/73/73/210377373	PWAJCNITSBZRBL-HXUWFJFHSA-N	0	368.82	FG	3.28	0	Anodyne	ref	FGAARN	CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3[C@@]2(c2ccccc2)O1	world
COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC	ZINC000002017514	80/02/92/493800292	OXZMQFKVNVQMLI-UHFFFAOYSA-N	1	359.466	FG	3.438	0	Anodyne	ref	FGAARO	COc1ccc(CC[NH+](C)CCc2ccc(OC)c(OC)c2)cc1OC	in-vitro
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
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1	ZINC000002507610	04/22/78/204042278	MQPLMBSDWYIIID-UHFFFAOYSA-N	0	367.352	FG	3.206	0	Anodyne	ref	FGAARN	NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1	in-vitro
CCOc1cc(/C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O	ZINC000002560267	18/78/00/560187800	YKLMGKWXBLSKPK-ZSOIEALJSA-N	-1	354.431	FG	3.475	3	Reactive	high	FGGAHM	CCOc1cc(/C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1[O-]	in-vitro
CCOc1cc(/C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O	ZINC000002560267	18/77/96/560187796	YKLMGKWXBLSKPK-ZSOIEALJSA-N	0	354.431	FG	3.475	0	Reactive	ref	FGGARN	CCOc1cc(/C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O	in-vitro
COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccc3ccccc23)c1	ZINC000002761895	18/84/64/560188464	KPTMSQHTGZMEFU-UHFFFAOYSA-N	0	365.389	FG	3.324	0	Reactive	ref	FGGARN	COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccc3ccccc23)c1	in-vitro
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O	ZINC000003805921	85/80/93/493858093	PXGPLTODNUVGFL-NAPLMKITSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O	in-man endogenous
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)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21	ZINC000003813078	85/79/74/493857974	KAQKFAOMNZTLHT-OZUDYXHBSA-N	-1	352.471	FG	3.409	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@@H]21	fda endogenous
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]1CCCCCCC(=O)O	ZINC000003830202	88/21/17/203882117	GMVPRGQOIOIIMI-CHCORRSHSA-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
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000003830709	85/79/39/493857939	PXGPLTODNUVGFL-YNNPMVKQSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	world
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000003830710	17/95/59/210179559	PXGPLTODNUVGFL-CKXCCYAOSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGAARM	CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
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
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000003830714	52/64/49/219526449	XEYBRNLFEZDVAW-GKEZHNTDSA-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-]	in-vitro
C[C@@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000003871772	85/88/28/493858828	ZGGNJJJYUVRADP-SCLBCKFNSA-N	0	363.841	FG	3.058	0	Anodyne	ref	FGAARN	C[C@@H](Cc1ccc(OCC(=O)[O-])cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1	in-vitro
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
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
CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(C#N)cn2)c1O	ZINC000003941595	86/13/33/493861333	NKPHEWJJTGPRSL-OCCSQVGLSA-N	-1	368.368	FG	3.068	1	Mild	mid	FGEAMM	CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(C#N)cn2)c1[O-]	in-vitro
CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(C#N)cn2)c1O	ZINC000003941595	86/13/30/493861330	NKPHEWJJTGPRSL-OCCSQVGLSA-N	0	368.368	FG	3.068	0	Mild	ref	FGEARN	CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(C#N)cn2)c1O	in-vitro
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
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000004095842	12/08/57/204120857	PXGPLTODNUVGFL-JZFBHDEDSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-man endogenous
CCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O	ZINC000004097074	12/02/26/204120226	IXAQOQZEOGMIQS-SSQFXEBMSA-N	-1	352.471	FG	3.129	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-]	in-man endogenous
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O	ZINC000004097121	00/14/96/207001496	CIMMACURCPXICP-PNQRDDRVSA-N	-1	354.487	FG	3.475	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	in-man endogenous
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000004097122	00/17/22/207001722	CBOMORHDRONZRN-QLOYDKTKSA-N	-1	350.455	FG	3.027	0	Anodyne	ref	FGAARM	CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-man endogenous
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O	ZINC000004097164	86/42/85/493864285	DZUXGQBLFALXCR-CDIPTNKSSA-N	-1	356.503	FG	3.267	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	in-man endogenous
CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1C#N	ZINC000004212206	86/92/92/493869292	FBMYKMYQHCBIGU-SFHVURJKSA-N	1	363.461	FG	3.39	0	Mild	ref	FGEARO	CC(C)(Cc1c[nH]c2ccccc12)[NH2+]C[C@H](O)COc1ccccc1C#N	investigational
CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2	ZINC000004214740	12/70/26/204127026	GJSLOMWRLALDCT-UHFFFAOYSA-N	1	351.841	FG	3.333	2	Anodyne	low	FGABLO	C[NH+](C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2	world
CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2	ZINC000004214740	12/70/21/204127021	GJSLOMWRLALDCT-UHFFFAOYSA-N	0	351.841	FG	3.333	0	Anodyne	ref	FGABRN	CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2	world
Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1	ZINC000004324633	87/33/61/493873361	LVOVQRPAMXCXTM-UHFFFAOYSA-N	0	363.439	FG	3.407	0	Anodyne	ref	FGAARN	Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1	in-vitro
O=C(O)CCCC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O	ZINC000004536260	88/17/08/493881708	SXWGPVJGNOLNHT-RMQNAGPKSA-N	-2	366.454	FG	3.223	0	Anodyne	ref	FGABRL	O=C([O-])CCCC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)[O-]	in-vitro
O=C(O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCCO	ZINC000004546738	88/16/56/493881656	PTJFJXLGRSTECQ-OLZRQKBQSA-N	-1	352.471	FG	3.131	0	Anodyne	ref	FGABRM	O=C([O-])CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCCO	in-vitro
O=C(O)CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCCO	ZINC000004629872	54/77/53/210547753	PTJFJXLGRSTECQ-PSPARDEHSA-N	-1	352.471	FG	3.131	0	Anodyne	ref	FGABRM	O=C([O-])CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCCO	in-man endogenous
O=C(O)CCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O	ZINC000004632132	54/70/67/210547067	SXWGPVJGNOLNHT-VFLUTPEKSA-N	-2	366.454	FG	3.223	0	Anodyne	ref	FGAARL	O=C([O-])CCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	in-man aggregator endogenous
CC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000004654922	15/15/31/204151531	ANOICLBSJIMQTA-WXGBOJPQSA-N	-1	350.455	FG	3.027	0	Anodyne	ref	FGABRM	CC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-man endogenous
O=C(NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1O)c1ccccc1	ZINC000004954743	17/91/69/204179169	RIGXBXPAOGDDIG-UHFFFAOYSA-N	-1	351.771	FG	3.081	0	Bother	ref	FGBARM	O=C(NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1[O-])c1ccccc1	in-vitro
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O	ZINC000005260819	92/23/53/493922353	XEYBRNLFEZDVAW-OBUVHCMGSA-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-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O	ZINC000005513160	93/36/54/493933654	BHMBVRSPMRCCGG-IAVHXZOJSA-N	-1	352.471	FG	3.251	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	in-vitro
CC/C=C/C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000005761919	22/48/64/204224864	CBOMORHDRONZRN-YYFRSVFISA-N	-1	350.455	FG	3.027	0	Anodyne	ref	FGABRM	CC/C=C/C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O	ZINC000005973277	94/73/62/493947362	PXGPLTODNUVGFL-IVHNRCPMSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGABRM	CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	in-vitro
CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O	ZINC000005978047	23/38/84/204233884	QPXXPLNAYDQELM-QNXXGYPUSA-N	-1	354.487	FG	3.475	0	Mild	ref	FGEARM	CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	in-man
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O	ZINC000005978187	94/78/51/493947851	GMVPRGQOIOIIMI-JCPCGATGSA-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-man endogenous
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O	ZINC000005978194	44/76/72/209447672	GMVPRGQOIOIIMI-FZYGRIMQSA-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
O=C(NCCCCCCCCNC(=O)C(Cl)Cl)C(Cl)Cl	ZINC000006845427	20/64/52/560206452	FAOMZVDZARKPFJ-UHFFFAOYSA-N	0	366.116	FG	3.167	0	Reactive	ref	FGGARN	O=C(NCCCCCCCCNC(=O)C(Cl)Cl)C(Cl)Cl	in-vitro
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000008552290	23/59/14/207235914	PXGPLTODNUVGFL-VCKDCIDJSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGABRM	CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000008552291	09/65/69/494096569	PXGPLTODNUVGFL-XNTKLVSTSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGABRM	CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000008552292	09/66/16/494096616	PXGPLTODNUVGFL-LFQRMHLBSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGABRM	CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000008552293	09/65/01/494096501	PXGPLTODNUVGFL-WTKFZEAQSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-man endogenous
CC(C)(C)OC(=O)N1CCC(OCc2nc(-c3ccncc3)no2)CC1	ZINC000009691689	28/30/19/207283019	LHZWKWCEAXQUMX-UHFFFAOYSA-N	0	360.414	FG	3.048	0	Anodyne	ref	FGAARN	CC(C)(C)OC(=O)N1CCC(OCc2nc(-c3ccncc3)no2)CC1	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O	ZINC000012494893	00/10/29/220001029	PXGPLTODNUVGFL-UAAPODJFSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	investigational endogenous
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H](O)C[C@H]1O	ZINC000012495508	23/55/68/494235568	PXGPLTODNUVGFL-HMALSPAFSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)[O-])[C@H](O)C[C@H]1O	in-man endogenous
CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000012496286	23/58/04/494235804	LOLJEILMPWPILA-AMFHKTBMSA-N	-1	352.471	FG	3.251	0	Mild	ref	FGEARM	CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-man endogenous
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000012496397	38/33/90/207383390	VKTIONYPMSCHQI-XAGFEHLVSA-N	-1	354.487	FG	3.475	0	Anodyne	ref	FGAARM	CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-man endogenous
CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O	ZINC000012496520	38/24/54/207382454	WMHAOJIJVNDMKA-BRIYLRKRSA-N	-1	358.519	FG	3.491	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	in-man endogenous
CCCCCC(=O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O	ZINC000012496524	23/56/67/494235667	LOLJEILMPWPILA-RLXHZABYSA-N	-1	352.471	FG	3.251	0	Mild	ref	FGEARM	CCCCCC(=O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O	in-man endogenous
CCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)CCCC(=O)O	ZINC000012496544	38/33/84/207383384	UXVRTOKOJOMENI-WLPVFMORSA-N	-1	352.471	FG	3.129	0	Anodyne	ref	FGABRM	CCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)CCCC(=O)[O-]	in-man endogenous
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)C(=O)C[C@H]1O	ZINC000012496636	38/25/45/207382545	XEYBRNLFEZDVAW-CLQOMRTCSA-N	-1	352.471	FG	3.251	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)[O-])C(=O)C[C@H]1O	in-man endogenous
CCCCCC(=O)CC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O	ZINC000012496925	23/57/06/494235706	VKTIONYPMSCHQI-JPRPWBOBSA-N	-1	354.487	FG	3.475	0	Anodyne	ref	FGAARM	CCCCCC(=O)CC[C@@H]1[C@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O	in-man endogenous
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O	ZINC000012503216	37/06/98/263370698	XEYBRNLFEZDVAW-BRNHSORCSA-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-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC	ZINC000013125934	27/89/55/494278955	WGCXTGBZBFBQPP-ZYONDNFOSA-N	0	366.498	FG	3.34	0	Anodyne	ref	FGAARN	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC	ZINC000013132550	27/86/92/494278692	PJDMFGSFLLCCAO-NVRZHKMMSA-N	0	368.514	FG	3.131	0	Anodyne	ref	FGAARN	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC	aggregator in-vitro
CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O	ZINC000013339034	06/49/23/220064923	BHMBVRSPMRCCGG-KIUOMDKCSA-N	-1	352.471	FG	3.251	0	Anodyne	ref	FGAARM	CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O	ZINC000013339035	06/49/56/220064956	BHMBVRSPMRCCGG-ZDDFUZLGSA-N	-1	352.471	FG	3.251	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCCCCC(=O)CC[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000013339095	06/43/87/220064387	VKTIONYPMSCHQI-KGILNJEGSA-N	-1	354.487	FG	3.475	0	Anodyne	ref	FGABRM	CCCCCC(=O)CC[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
COc1cc(CCC(=O)C[C@@H](O)CCc2ccc(O)c(OC)c2)ccc1O	ZINC000013377888	52/93/93/204529393	RSAHICAPUYTWHW-INIZCTEOSA-N	0	374.433	FG	3.001	0	Anodyne	ref	FGAARN	COc1cc(CCC(=O)C[C@@H](O)CCc2ccc(O)c(OC)c2)ccc1O	in-vitro biogenic
COc1cc(CCC(=O)C[C@H](O)CCc2ccc(O)c(OC)c2)ccc1O	ZINC000013377889	45/98/13/207459813	RSAHICAPUYTWHW-MRXNPFEDSA-N	0	374.433	FG	3.001	0	Anodyne	ref	FGAARN	COc1cc(CCC(=O)C[C@H](O)CCc2ccc(O)c(OC)c2)ccc1O	in-vitro biogenic
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000013509284	28/79/72/494287972	PXGPLTODNUVGFL-ZWAKLXPCSA-N	-1	354.487	FG	3.043	0	Anodyne	ref	FGAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-man endogenous
CCCCCC(=O)CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000013515357	07/08/28/220070828	VKTIONYPMSCHQI-PIFCNHPMSA-N	-1	354.487	FG	3.475	0	Anodyne	ref	FGABRM	CCCCCC(=O)CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000013521609	28/86/24/494288624	BHMBVRSPMRCCGG-DFVNJMEGSA-N	-1	352.471	FG	3.251	0	Anodyne	ref	FGAARM	CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21	ZINC000013521648	07/08/59/220070859	NCYSTSFUYSFMEO-OBLTVXDOSA-N	-1	350.455	FG	3.185	0	Anodyne	ref	FGAARM	CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@@H]21	in-vitro
CCCCCC(=O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000013539158	46/53/85/207465385	LOLJEILMPWPILA-XCTNVWNWSA-N	-1	352.471	FG	3.251	0	Mild	ref	FGEARM	CCCCCC(=O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000013540213	92/13/93/519921393	YRTJDWROBKPZNV-KMXMBPPJSA-N	-1	350.455	FG	3.459	0	Mild	ref	FGEARM	CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-man endogenous