CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1	ZINC000000000242	17/19/18/289171918	HCFDWZZGGLSKEP-KRWDZBQOSA-N	0	270.376	CF	2.923	3	Anodyne	high	CFAAHN	CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1	fda
CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1	ZINC000000000242	17/19/12/289171912	HCFDWZZGGLSKEP-KRWDZBQOSA-N	1	270.376	CF	2.923	0	Anodyne	ref	CFAARO	C[NH+](C)CCO[C@@](C)(c1ccccc1)c1ccccn1	fda
COc1ccc(C(=O)CCC(=O)O)c2ccccc12	ZINC000000000446	50/82/48/371508248	FHGJSJFIQNQBCK-UHFFFAOYSA-N	-1	258.273	CF	2.896	0	Anodyne	ref	CFAARM	COc1ccc(C(=O)CCC(=O)[O-])c2ccccc12	in-man
C[C@H](C(=O)O)c1ccc2c(c1)Cc1cccnc1O2	ZINC000000000654	50/81/08/371508108	TVQZAMVBTVNYLA-VIFPVBQESA-N	-1	255.273	CF	2.966	0	Anodyne	ref	CFAARM	C[C@H](C(=O)[O-])c1ccc2c(c1)Cc1cccnc1O2	world
CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12	ZINC000000000867	50/22/26/169502226	RYWSYCQQUDFMAU-UHFFFAOYSA-N	0	258.273	CF	2.999	0	Anodyne	ref	CFAARN	CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12	world
CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1	ZINC000000000928	63/00/30/280630030	SGRYPYWGNKJSDL-UHFFFAOYSA-N	-1	298.298	CF	2.745	0	Bother	ref	CFBARM	CC(C)c1ccc2oc3nc(N)c(C(=O)[O-])cc3c(=O)c2c1	world
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1	ZINC000000000941	50/29/08/169502908	YBBLVLTVTVSKRW-UHFFFAOYSA-N	0	293.374	CF	2.929	0	Mild	ref	CFEARN	CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1	fda
O=C(O)COc1nn(Cc2ccccc2)c2ccccc12	ZINC000000001000	50/78/50/371507850	BYFMCKSPFYVMOU-UHFFFAOYSA-N	-1	282.299	CF	2.548	0	Anodyne	ref	CFAARM	O=C([O-])COc1nn(Cc2ccccc2)c2ccccc12	in-man
O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1	ZINC000000001083	50/32/31/169503231	SWUARLUWKZWEBQ-VQHVLOKHSA-N	0	284.311	CF	2.897	0	Clean	ref	CFCARN	O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1	aggregator in-vitro biogenic
C[C@H](Oc1c(Cl)cccc1Cl)C1=NCCN1	ZINC000000001266	58/81/82/279588182	KSMAGQUYOIHWFS-ZETCQYMHSA-N	1	259.136	CF	2.762	0	Anodyne	ref	CFAARO	C[C@H](Oc1c(Cl)cccc1Cl)C1=[NH+]CCN1	world
CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1	ZINC000000001448	50/76/07/371507607	MIWWSGDADVMLTG-UHFFFAOYSA-N	0	279.321	CF	2.629	0	Bother	ref	CFBARN	CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1	investigational
O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	ZINC000000001785	50/78/02/371507802	FTVWIRXFELQLPI-CYBMUJFWSA-N	-1	272.256	CF	2.51	1	Anodyne	mid	CFAAMM	O=C1C[C@H](c2ccc(O)cc2)Oc2cc([O-])cc(O)c21	in-vitro biogenic
O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	ZINC000000001785	50/77/98/371507798	FTVWIRXFELQLPI-CYBMUJFWSA-N	0	272.256	CF	2.51	0	Anodyne	ref	CFAARN	O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	in-vitro biogenic
CCCN(CCC)CCc1cccc2c1CC(=O)N2	ZINC000000002041	50/81/60/371508160	UHSKFQJFRQCDBE-UHFFFAOYSA-N	1	260.381	CF	2.846	0	Anodyne	ref	CFAARO	CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2	fda
O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000003381	50/78/17/371507817	FRPJSHKMZHWJBE-UHFFFAOYSA-N	0	277.667	CF	2.896	0	Bother	ref	CFBARN	O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl	in-vivo
CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1	ZINC000000004413	50/80/91/371508091	XSVMFMHYUFZWBK-NSHDSACASA-N	0	250.342	CF	2.76	3	Anodyne	high	CFAAHN	CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1	fda
CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1	ZINC000000004413	50/80/85/371508085	XSVMFMHYUFZWBK-NSHDSACASA-N	1	250.342	CF	2.76	0	Anodyne	ref	CFAARO	CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1	fda
NC(=O)N1c2ccccc2CC(=O)c2ccccc21	ZINC000000004724	06/72/32/295067232	CTRLABGOLIVAIY-UHFFFAOYSA-N	0	252.273	CF	2.642	0	Anodyne	ref	CFAARN	NC(=O)N1c2ccccc2CC(=O)c2ccccc21	fda
Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1	ZINC000000004778	28/38/41/302283841	NQDJXKOVJZTUJA-UHFFFAOYSA-N	0	266.304	CF	2.651	0	Anodyne	ref	CFAARN	Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1	fda
O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21	ZINC000000004935	84/68/85/284846885	URFCJEUYXNAHFI-CYBMUJFWSA-N	-1	256.257	CF	2.804	1	Anodyne	mid	CFAAMM	O=C1C[C@H](c2ccccc2)Oc2cc([O-])cc(O)c21	in-man endogenous
O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21	ZINC000000004935	84/68/83/284846883	URFCJEUYXNAHFI-CYBMUJFWSA-N	0	256.257	CF	2.804	0	Anodyne	ref	CFAARN	O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21	in-man endogenous
COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1	ZINC000000004982	50/77/84/371507784	HJORMJIFDVBMOB-LBPRGKRZSA-N	0	275.348	CF	2.62	0	Anodyne	ref	CFAARN	COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1	investigational
C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1	ZINC000000005626	40/86/08/278408608	KSMAGQUYOIHWFS-SSDOTTSWSA-N	1	259.136	CF	2.762	0	Anodyne	ref	CFAARO	C[C@@H](Oc1c(Cl)cccc1Cl)C1=[NH+]CCN1	world
O=C1c2cccc3c2[C@@H](CCC3)CN1[C@H]1CN2CCC1CC2	ZINC000000006363	50/49/75/169504975	CPZBLNMUGSZIPR-RDJZCZTQSA-N	0	296.414	CF	2.657	1	Anodyne	mid	CFAAMN	O=C1c2cccc3c2[C@@H](CCC3)CN1[C@H]1CN2CCC1CC2	in-vitro
O=C1c2cccc3c2[C@@H](CCC3)CN1[C@H]1CN2CCC1CC2	ZINC000000006363	50/49/73/169504973	CPZBLNMUGSZIPR-RDJZCZTQSA-N	1	296.414	CF	2.657	0	Anodyne	ref	CFAARO	O=C1c2cccc3c2[C@@H](CCC3)CN1[C@H]1C[NH+]2CCC1CC2	in-vitro
CCC(=O)NCC[C@H]1CCc2ccc3c(c21)CCO3	ZINC000000007031	50/79/84/371507984	YLXDSYKOBKBWJQ-GFCCVEGCSA-N	0	259.349	CF	2.568	0	Anodyne	ref	CFAARN	CCC(=O)NCC[C@H]1CCc2ccc3c(c21)CCO3	 
O=c1cc(N2CCOCC2)oc2c1ccc1ccccc12	ZINC000000009230	21/84/99/285218499	KKTZALUTXUZPSN-UHFFFAOYSA-N	0	281.311	CF	2.783	0	Bother	ref	CFBARN	O=c1cc(N2CCOCC2)oc2c1ccc1ccccc12	in-vivo
CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	ZINC000000009342	44/61/85/393446185	KYYIDSXMWOZKMP-OAHLLOKOSA-N	0	263.381	CF	2.733	3	Anodyne	high	CFAAHN	CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	fda
CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	ZINC000000009342	44/61/73/393446173	KYYIDSXMWOZKMP-OAHLLOKOSA-N	1	263.381	CF	2.733	0	Anodyne	ref	CFAARO	C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	fda
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1	ZINC000000015335	17/67/91/560176791	HKHOVJYOELRGMV-XYOKQWHBSA-N	-1	280.283	CF	2.643	3	Reactive	high	CFGAHM	N#C/C(=C\c1ccc([O-])c(O)c1)C(=O)Nc1ccccc1	in-vitro
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1	ZINC000000015335	17/67/89/560176789	HKHOVJYOELRGMV-XYOKQWHBSA-N	0	280.283	CF	2.643	0	Reactive	ref	CFGARN	N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1	in-vitro
CC(C)NC[C@@H](O)COc1cccc2ccccc12	ZINC000000020240	50/96/89/371509689	AQHHHDLHHXJYJD-CQSZACIVSA-N	1	259.349	CF	2.578	0	Anodyne	ref	CFAARO	CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12	fda
Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1	ZINC000000020251	50/94/49/371509449	MRBDMNSDAVCSSF-UHFFFAOYSA-N	1	281.359	CF	2.84	0	Anodyne	ref	CFAARO	Cc1ccc(N(CC2=[NH+]CCN2)c2cccc(O)c2)cc1	fda
CC(C)NC[C@H](O)COc1cccc2ccccc12	ZINC000000056556	51/82/11/371518211	AQHHHDLHHXJYJD-AWEZNQCLSA-N	1	259.349	CF	2.578	0	Anodyne	ref	CFAARO	CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc12	fda biogenic
COc1c2occc2c(OC)c2c(=O)cc(C)oc12	ZINC000000056654	18/96/50/286189650	HSMPDPBYAYSOBC-UHFFFAOYSA-N	0	260.245	CF	2.865	0	Anodyne	ref	CFAARN	COc1c2occc2c(OC)c2c(=O)cc(C)oc12	world biogenic
CCNC(=O)/C=C/c1cccc(Br)c1	ZINC000000056762	51/83/97/371518397	LDCXGZCEMNMWIL-VOTSOKGWSA-N	0	254.127	CF	2.598	0	Anodyne	ref	CFAARN	CCNC(=O)/C=C/c1cccc(Br)c1	in-man
Nc1c(Br)cc(Br)cc1C=O	ZINC000000057067	34/41/62/295344162	RCPAZWISSAVDEA-UHFFFAOYSA-N	0	278.931	CF	2.606	0	Anodyne	ref	CFAARN	Nc1c(Br)cc(Br)cc1C=O	in-vitro
c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1	ZINC000000057204	52/08/25/169520825	REYFJDPCWQRWAA-UHFFFAOYSA-N	1	265.36	CF	2.695	0	Anodyne	ref	CFAARO	c1ccc(CN(CC2=[NH+]CCN2)c2ccccc2)cc1	world
CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C	ZINC000000057401	51/82/25/371518225	VRYMTAVOXVTQEF-UHFFFAOYSA-N	0	279.38	CF	2.984	3	Anodyne	high	CFAAHN	CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C	world
CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C	ZINC000000057401	51/82/20/371518220	VRYMTAVOXVTQEF-UHFFFAOYSA-N	1	279.38	CF	2.984	0	Anodyne	ref	CFAARO	CC(=O)Oc1cc(C(C)C)c(OCC[NH+](C)C)cc1C	world
Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1	ZINC000000057537	51/80/75/371518075	ZXVNMYWKKDOREA-UHFFFAOYSA-N	-1	291.734	CF	2.845	0	Anodyne	ref	CFAARM	Cc1cc(CC(=O)[O-])n(C)c1C(=O)c1ccc(Cl)cc1	world
O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12	ZINC000000057657	51/95/71/371519571	COCYGNDCWFKTMF-UHFFFAOYSA-N	0	254.241	CF	2.871	2	Clean	low	CFCALN	O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12	in-vitro biogenic
O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12	ZINC000000057657	51/95/68/371519568	COCYGNDCWFKTMF-UHFFFAOYSA-N	-1	254.241	CF	2.871	0	Clean	ref	CFCARM	O=c1cc(-c2ccccc2)oc2c(O)c([O-])ccc12	in-vitro biogenic
O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21	ZINC000000073693	83/66/84/284836684	URFCJEUYXNAHFI-ZDUSSCGKSA-N	-1	256.257	CF	2.804	1	Anodyne	mid	CFAAMM	O=C1C[C@@H](c2ccccc2)Oc2cc([O-])cc(O)c21	in-man endogenous
O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21	ZINC000000073693	83/66/83/284836683	URFCJEUYXNAHFI-ZDUSSCGKSA-N	0	256.257	CF	2.804	0	Anodyne	ref	CFAARN	O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21	in-man endogenous
O=C(O)c1ccccc1C(=O)OCc1ccccc1	ZINC000000097700	52/96/99/371529699	XIKIUQUXDNHBFR-UHFFFAOYSA-N	-1	256.257	CF	2.742	0	Anodyne	ref	CFAARM	O=C([O-])c1ccccc1C(=O)OCc1ccccc1	in-vitro
O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12	ZINC000000120273	53/50/96/371535096	VCCRNZQBSJXYJD-UHFFFAOYSA-N	-1	270.24	CF	2.577	0	Anodyne	ref	CFAARM	O=C1C=C([O-])C=C2OC(c3ccccc3)C(=O)C(O)=C12	in-man endogenous
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	ZINC000000156701	54/46/72/371544672	FTVWIRXFELQLPI-ZDUSSCGKSA-N	-1	272.256	CF	2.51	1	Anodyne	mid	CFAAMM	O=C1C[C@@H](c2ccc(O)cc2)Oc2cc([O-])cc(O)c21	in-man metabolite
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	ZINC000000156701	54/46/59/371544659	FTVWIRXFELQLPI-ZDUSSCGKSA-N	0	272.256	CF	2.51	0	Anodyne	ref	CFAARN	O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	in-man metabolite
O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	ZINC000000403496	27/42/51/304274251	ISPVACVJFUIDPD-UHFFFAOYSA-N	-1	281.67	CF	2.827	0	Anodyne	ref	CFAARM	O=C([O-])c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	in-vitro
COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12	ZINC000000899093	65/50/79/371655079	XLTFNNCXVBYBSX-UHFFFAOYSA-N	0	284.267	CF	2.88	1	Anodyne	mid	CFAAMN	COc1c2oc(-c3ccccc3)cc(O)c-2c(O)cc1=O	biogenic in-vivo
COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12	ZINC000000899093	65/50/76/371655076	XLTFNNCXVBYBSX-UHFFFAOYSA-N	-1	284.267	CF	2.88	0	Anodyne	ref	CFAARM	COc1c2oc(-c3ccccc3)cc(O)c-2c([O-])cc1=O	biogenic in-vivo
CCN(C)C(=O)Oc1cccc([C@@H](C)N(C)C)c1	ZINC000000967938	65/50/14/371655014	XSVMFMHYUFZWBK-LLVKDONJSA-N	0	250.342	CF	2.76	3	Anodyne	high	CFAAHN	CCN(C)C(=O)Oc1cccc([C@@H](C)N(C)C)c1	in-vitro
CCN(C)C(=O)Oc1cccc([C@@H](C)N(C)C)c1	ZINC000000967938	65/50/10/371655010	XSVMFMHYUFZWBK-LLVKDONJSA-N	1	250.342	CF	2.76	0	Anodyne	ref	CFAARO	CCN(C)C(=O)Oc1cccc([C@@H](C)[NH+](C)C)c1	in-vitro
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21	ZINC000000985403	65/50/83/371655083	FURUXTVZLHCCNA-AWEZNQCLSA-N	-1	256.257	CF	2.804	1	Anodyne	mid	CFAAMM	O=C1C[C@@H](c2ccc(O)cc2)Oc2cc([O-])ccc21	in-man endogenous
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21	ZINC000000985403	65/50/81/371655081	FURUXTVZLHCCNA-AWEZNQCLSA-N	0	256.257	CF	2.804	0	Anodyne	ref	CFAARN	O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21	in-man endogenous
O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1	ZINC000001529772	71/13/94/169711394	MXXWOMGUGJBKIW-YPCIICBESA-N	0	285.343	CF	2.997	0	Anodyne	ref	CFAARN	O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1	investigational endogenous
CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N	ZINC000001530762	67/95/62/371679562	KCLANYCVBBTKTO-UHFFFAOYSA-N	0	294.395	CF	2.556	3	Anodyne	high	CFAAHN	CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N	fda
CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N	ZINC000001530762	67/95/51/371679551	KCLANYCVBBTKTO-UHFFFAOYSA-N	1	294.395	CF	2.556	0	Anodyne	ref	CFAARO	CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1N	fda
CCCCNc1ccc(C(=O)OCCN(C)C)cc1	ZINC000001530811	67/96/96/371679696	GKCBAIGFKIBETG-UHFFFAOYSA-N	0	264.369	CF	2.617	3	Anodyne	high	CFAAHN	CCCCNc1ccc(C(=O)OCCN(C)C)cc1	fda
CCCCNc1ccc(C(=O)OCCN(C)C)cc1	ZINC000001530811	67/96/82/371679682	GKCBAIGFKIBETG-UHFFFAOYSA-N	1	264.369	CF	2.617	0	Anodyne	ref	CFAARO	CCCCNc1ccc(C(=O)OCC[NH+](C)C)cc1	fda
COc1cc(N[C@@H](C)CCCN)c2ncccc2c1	ZINC000001530862	67/97/08/371679708	INDBQLZJXZLFIT-NSHDSACASA-N	1	259.353	CF	2.783	0	Anodyne	ref	CFAARO	COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1	fda
COc1cc(N[C@H](C)CCCN)c2ncccc2c1	ZINC000001530863	67/96/44/371679644	INDBQLZJXZLFIT-LLVKDONJSA-N	1	259.353	CF	2.783	0	Anodyne	ref	CFAARO	COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1	fda
CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3	ZINC000001641894	20/64/23/346206423	SXYIRMFQILZOAM-USVKDBARSA-N	0	298.379	CF	2.841	0	Reactive	ref	CFGARN	CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3	 
O=P(OCCCl)(OCCCl)OCCCl	ZINC000001666648	18/34/98/560183498	HQUQLFOMPYWACS-UHFFFAOYSA-N	0	285.491	CF	2.861	0	Reactive	ref	CFGARN	O=P(OCCCl)(OCCCl)OCCCl	in-vitro
C=CCNc1ncnc2ccc(Br)cc12	ZINC000001766166	70/66/77/371706677	BCPOLXUSCUFDGE-UHFFFAOYSA-N	0	264.126	CF	2.99	0	Mild	ref	CFEARN	C=CCNc1ncnc2ccc(Br)cc12	in-vitro
COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1	ZINC000002000919	71/18/76/371711876	HJORMJIFDVBMOB-GFCCVEGCSA-N	0	275.348	CF	2.62	0	Anodyne	ref	CFAARN	COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1	investigational
CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1	ZINC000002525885	45/42/16/393454216	KYYIDSXMWOZKMP-HNNXBMFYSA-N	0	263.381	CF	2.733	3	Anodyne	high	CFAAHN	CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1	fda
CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1	ZINC000002525885	45/42/04/393454204	KYYIDSXMWOZKMP-HNNXBMFYSA-N	1	263.381	CF	2.733	0	Anodyne	ref	CFAARO	C[NH+](C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1	fda
Cc1ccc(OC[C@@H](O)[C@@H](C)NC(C)C)c2c1CCC2	ZINC000002530699	80/35/98/169803598	VFIDUCMKNJIJTO-CZUORRHYSA-N	1	277.408	CF	2.61	0	Anodyne	ref	CFAARO	Cc1ccc(OC[C@@H](O)[C@@H](C)[NH2+]C(C)C)c2c1CCC2	 
Cc1ccc(OC[C@H](O)[C@H](C)NC(C)C)c2c1CCC2	ZINC000002575703	74/01/23/371740123	VFIDUCMKNJIJTO-BBRMVZONSA-N	1	277.408	CF	2.61	0	Anodyne	ref	CFAARO	Cc1ccc(OC[C@H](O)[C@H](C)[NH2+]C(C)C)c2c1CCC2	in-vitro
O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2	ZINC000003795819	03/12/74/275031274	CPZBLNMUGSZIPR-NVXWUHKLSA-N	0	296.414	CF	2.657	1	Anodyne	mid	CFAAMN	O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2	fda
O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2	ZINC000003795819	03/12/73/275031273	CPZBLNMUGSZIPR-NVXWUHKLSA-N	1	296.414	CF	2.657	0	Anodyne	ref	CFAARO	O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1C[NH+]2CCC1CC2	fda
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O	ZINC000003815418	81/92/22/371819222	PROQIPRRNZUXQM-ZXXIGWHRSA-N	0	288.387	CF	2.58	0	Anodyne	ref	CFAARN	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O	world endogenous
Cc1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1CCC(=O)O	ZINC000003815485	81/91/60/371819160	JNDVEAXZWJIOKB-JYRVWZFOSA-N	-1	296.326	CF	2.833	0	Anodyne	ref	CFAARM	Cc1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1CCC(=O)[O-]	in-vivo
O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1	ZINC000003816934	91/43/17/169914317	IIBSHMFXVWTQSJ-UHFFFAOYSA-N	0	269.638	CF	2.661	0	Anodyne	ref	CFAARN	O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1	investigational
C[C@@H](C(=O)O)c1ccc2c(c1)Cc1cccnc1O2	ZINC000003831354	81/85/49/371818549	TVQZAMVBTVNYLA-SECBINFHSA-N	-1	255.273	CF	2.966	0	Anodyne	ref	CFAARM	C[C@@H](C(=O)[O-])c1ccc2c(c1)Cc1cccnc1O2	world
O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O	ZINC000003869608	82/09/17/371820917	DXDRHHKMWQZJHT-FPYGCLRLSA-N	-2	256.257	CF	2.7	3	Mild	high	CFEAHL	O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1[O-]	world endogenous
O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O	ZINC000003869608	82/09/10/371820910	DXDRHHKMWQZJHT-FPYGCLRLSA-N	0	256.257	CF	2.7	1	Mild	mid	CFEAMN	O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O	world endogenous
O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O	ZINC000003869608	82/09/03/371820903	DXDRHHKMWQZJHT-FPYGCLRLSA-N	-1	256.257	CF	2.7	0	Mild	ref	CFEARM	O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1[O-]	world endogenous
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1	ZINC000003871358	82/03/27/371820327	DANYIYRPLHHOCZ-UHFFFAOYSA-N	-2	284.267	CF	2.88	3	Anodyne	high	CFAAHL	COc1ccc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc1	biogenic in-vivo
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1	ZINC000003871358	82/03/20/371820320	DANYIYRPLHHOCZ-UHFFFAOYSA-N	0	284.267	CF	2.88	2	Anodyne	low	CFAALN	COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1	biogenic in-vivo
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1	ZINC000003871358	82/03/10/371820310	DANYIYRPLHHOCZ-UHFFFAOYSA-N	0	284.267	CF	2.88	2	Anodyne	low	CFAALN	COc1ccc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc1	biogenic in-vivo
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1	ZINC000003871358	82/02/95/371820295	DANYIYRPLHHOCZ-UHFFFAOYSA-N	-1	284.267	CF	2.88	0	Anodyne	ref	CFAARM	COc1ccc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc1	biogenic in-vivo
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12	ZINC000003871576	82/06/86/371820686	KZNIFHPLKGYRTM-UHFFFAOYSA-N	-2	270.24	CF	2.577	3	Anodyne	high	CFAAHL	O=c1cc(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12	world biogenic aggregator
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12	ZINC000003871576	82/06/80/371820680	KZNIFHPLKGYRTM-UHFFFAOYSA-N	0	270.24	CF	2.577	2	Anodyne	low	CFAALN	O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12	world biogenic aggregator
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12	ZINC000003871576	82/06/72/371820672	KZNIFHPLKGYRTM-UHFFFAOYSA-N	0	270.24	CF	2.577	2	Anodyne	low	CFAALN	O=c1cc(O)cc2oc(-c3ccc(O)cc3)cc(O)c1-2	world biogenic aggregator
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12	ZINC000003871576	82/06/56/371820656	KZNIFHPLKGYRTM-UHFFFAOYSA-N	-1	270.24	CF	2.577	0	Anodyne	ref	CFAARM	O=c1cc(-c2ccc(O)cc2)oc2cc([O-])cc(O)c12	world biogenic aggregator
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12	ZINC000003871633	82/07/78/371820778	FXNFHKRTJBSTCS-UHFFFAOYSA-N	-2	270.24	CF	2.577	3	Clean	high	CFCAHL	O=c1cc(-c2ccccc2)oc2cc([O-])c(O)c([O-])c12	aggregator biogenic in-vivo
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12	ZINC000003871633	82/07/71/371820771	FXNFHKRTJBSTCS-UHFFFAOYSA-N	0	270.24	CF	2.577	2	Clean	low	CFCALN	O=c1c(O)c(O)cc2oc(-c3ccccc3)cc(O)c1-2	aggregator biogenic in-vivo
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12	ZINC000003871633	82/07/66/371820766	FXNFHKRTJBSTCS-UHFFFAOYSA-N	0	270.24	CF	2.577	2	Clean	low	CFCALN	O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12	aggregator biogenic in-vivo
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12	ZINC000003871633	82/07/56/371820756	FXNFHKRTJBSTCS-UHFFFAOYSA-N	-1	270.24	CF	2.577	0	Clean	ref	CFCARM	O=c1cc(-c2ccccc2)oc2cc([O-])c(O)c(O)c12	aggregator biogenic in-vivo
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12	ZINC000003872070	82/07/49/371820749	RTIXKCRFFJGDFG-UHFFFAOYSA-N	-2	254.241	CF	2.871	3	Anodyne	high	CFAAHL	O=c1cc(-c2ccccc2)oc2cc([O-])cc([O-])c12	in-man endogenous
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12	ZINC000003872070	82/07/44/371820744	RTIXKCRFFJGDFG-UHFFFAOYSA-N	0	254.241	CF	2.871	2	Anodyne	low	CFAALN	O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12	in-man endogenous
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12	ZINC000003872070	82/07/37/371820737	RTIXKCRFFJGDFG-UHFFFAOYSA-N	0	254.241	CF	2.871	2	Anodyne	low	CFAALN	O=c1cc(O)cc2oc(-c3ccccc3)cc(O)c1-2	in-man endogenous
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12	ZINC000003872070	82/07/29/371820729	RTIXKCRFFJGDFG-UHFFFAOYSA-N	-1	254.241	CF	2.871	0	Anodyne	ref	CFAARM	O=c1cc(-c2ccccc2)oc2cc([O-])cc(O)c12	in-man endogenous
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O	ZINC000003872492	91/87/37/169918737	PROQIPRRNZUXQM-PXOUGSPUSA-N	0	288.387	CF	2.58	0	Anodyne	ref	CFAARN	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O	world
Cc1ccc(OC[C@H](O)[C@@H](C)NC(C)C)c2c1CCC2	ZINC000003872880	81/98/65/371819865	VFIDUCMKNJIJTO-CJNGLKHVSA-N	1	277.408	CF	2.61	0	Anodyne	ref	CFAARO	Cc1ccc(OC[C@H](O)[C@@H](C)[NH2+]C(C)C)c2c1CCC2	in-vitro
Cc1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c2c1CCC2	ZINC000003872881	82/04/34/371820434	VFIDUCMKNJIJTO-XJKSGUPXSA-N	1	277.408	CF	2.61	0	Anodyne	ref	CFAARO	Cc1ccc(OC[C@@H](O)[C@H](C)[NH2+]C(C)C)c2c1CCC2	in-vitro
CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3	ZINC000003960338	82/58/80/371825880	YLXDSYKOBKBWJQ-LBPRGKRZSA-N	0	259.349	CF	2.568	0	Anodyne	ref	CFAARN	CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3	fda