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
C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	ZINC000000000410	50/77/80/371507780	HQBZLVPZOGIAIQ-DPZKZMLUSA-N	-1	285.387	CF	2.967	3	Anodyne	high	CFABHM	C[C@@H]1[C@H]2C(=O)c3ccc([O-])cc3[C@]1(C)CCN2CC1CC1	 
C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	ZINC000000000410	50/77/78/371507778	HQBZLVPZOGIAIQ-DPZKZMLUSA-N	1	285.387	CF	2.967	2	Anodyne	low	CFABLO	C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CC[N@@H+]2CC1CC1	 
C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	ZINC000000000410	50/77/76/371507776	HQBZLVPZOGIAIQ-DPZKZMLUSA-N	1	285.387	CF	2.967	2	Anodyne	low	CFABLO	C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CC[N@H+]2CC1CC1	 
C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	ZINC000000000410	50/77/72/371507772	HQBZLVPZOGIAIQ-DPZKZMLUSA-N	0	285.387	CF	2.967	0	Anodyne	ref	CFABRN	C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	 
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
COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1	ZINC000000000853	32/27/65/295322765	TVYLLZQTGLZFBW-ZBFHGGJFSA-N	1	263.381	CF	2.635	0	Anodyne	ref	CFAARO	COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](C)C)c1	fda
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=Cc1cc(Br)cc(Br)c1O	ZINC000000001241	50/75/85/371507585	JHZOXYGFQMROFJ-UHFFFAOYSA-N	0	279.915	CF	2.73	2	Anodyne	low	CFAALN	O=Cc1cc(Br)cc(Br)c1O	 
O=Cc1cc(Br)cc(Br)c1O	ZINC000000001241	50/75/75/371507575	JHZOXYGFQMROFJ-UHFFFAOYSA-N	-1	279.915	CF	2.73	0	Anodyne	ref	CFAARM	O=Cc1cc(Br)cc(Br)c1[O-]	 
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
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
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
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
O=C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000000056722	51/83/04/371518304	NDKDFTQNXLHCGO-UHFFFAOYSA-N	-1	297.31	CF	2.61	0	Anodyne	ref	CFAARM	O=C([O-])CNC(=O)OCC1c2ccccc2-c2ccccc21	 
Nc1ccc(OC(F)(F)F)cc1Br	ZINC000000057048	51/81/71/371518171	ROSTYHNIIDIBEG-UHFFFAOYSA-N	0	256.021	CF	2.93	0	Anodyne	ref	CFAARN	Nc1ccc(OC(F)(F)F)cc1Br	 
O=C(O)c1cc(Br)cc(Br)c1O	ZINC000000057140	22/08/54/304220854	BFBZHSOXKROMBG-UHFFFAOYSA-N	-1	295.914	CF	2.615	0	Anodyne	ref	CFAARM	O=C([O-])c1cc(Br)cc(Br)c1O	 
CC(C)(C)NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1	ZINC000000057261	51/87/80/371518780	STJMRWALKKWQGH-JTQLQIEISA-N	1	277.195	CF	2.997	0	Anodyne	ref	CFAARO	CC(C)(C)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1	world
CC(C)(C)NC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1	ZINC000000057262	51/90/15/371519015	STJMRWALKKWQGH-SNVBAGLBSA-N	1	277.195	CF	2.997	0	Anodyne	ref	CFAARO	CC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1	world
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
Nc1cc(C(=O)c2ccccc2C(=O)O)ccc1Cl	ZINC000000154508	44/78/47/393447847	MQECGSWGDQIHHD-UHFFFAOYSA-N	-1	275.691	CF	2.851	0	Anodyne	ref	CFAARM	Nc1cc(C(=O)c2ccccc2C(=O)[O-])ccc1Cl	 
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1	ZINC000000163657	54/62/31/371546231	XHBZOAYMBBUURD-UHFFFAOYSA-N	-1	258.273	CF	2.532	1	Anodyne	mid	CFAAMM	COc1ccc(CC(=O)c2ccc([O-])cc2O)cc1	in-vitro
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1	ZINC000000163657	54/62/18/371546218	XHBZOAYMBBUURD-UHFFFAOYSA-N	0	258.273	CF	2.532	0	Anodyne	ref	CFAARN	COc1ccc(CC(=O)c2ccc(O)cc2O)cc1	in-vitro
N#Cc1cc(Br)cc(Br)c1N	ZINC000000165497	87/11/64/294871164	WLZCMGXAEXFAQA-UHFFFAOYSA-N	0	275.931	CF	2.665	0	Mild	ref	CFEARN	N#Cc1cc(Br)cc(Br)c1N	 
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000171247	54/75/91/371547591	DXVSAELNVPXMSQ-UHFFFAOYSA-N	0	257.245	CF	2.834	0	Bother	ref	CFBARN	COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1	 
O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1	ZINC000000241160	24/92/04/304249204	WVDRSXGPQWNUBN-UHFFFAOYSA-N	-2	258.229	CF	2.875	0	Anodyne	ref	CFAARL	O=C([O-])c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1	 
O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1	ZINC000000286854	46/86/08/296468608	PLVUIVUKKJTSDM-UHFFFAOYSA-N	0	254.257	CF	2.798	0	Anodyne	ref	CFAARN	O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1	 
O=[N+]([O-])c1ccc(Br)c2ccncc12	ZINC000000330540	36/29/53/280362953	ULGOLOXWHJEZNZ-UHFFFAOYSA-N	0	253.055	CF	2.906	0	Bother	ref	CFBARN	O=[N+]([O-])c1ccc(Br)c2ccncc12	 
N#Cc1cc(Br)c(O)c(Br)c1	ZINC000000334873	17/92/88/303179288	UPMXNNIRAGDFEH-UHFFFAOYSA-N	-1	276.915	CF	2.789	0	Mild	ref	CFEARM	N#Cc1cc(Br)c([O-])c(Br)c1	in-vitro
CS(=O)(=O)Nc1ccccc1Oc1ccccc1	ZINC000000383567	60/02/73/371600273	WSFHNGGYRUTXFN-UHFFFAOYSA-N	-1	263.318	CF	2.85	1	Anodyne	mid	CFAAMM	CS(=O)(=O)[N-]c1ccccc1Oc1ccccc1	 
CS(=O)(=O)Nc1ccccc1Oc1ccccc1	ZINC000000383567	60/02/69/371600269	WSFHNGGYRUTXFN-UHFFFAOYSA-N	0	263.318	CF	2.85	0	Anodyne	ref	CFAARN	CS(=O)(=O)Nc1ccccc1Oc1ccccc1	 
Nc1c(Br)cccc1Br	ZINC000000388497	34/48/14/295344814	XIRRDAWDNHRRLB-UHFFFAOYSA-N	0	250.921	CF	2.794	0	Anodyne	ref	CFAARN	Nc1c(Br)cccc1Br	 
COc1cc(CCN)ccc1OCc1ccccc1	ZINC000000391540	60/40/52/371604052	GLMWLELOJCRYRI-UHFFFAOYSA-N	1	257.333	CF	2.775	0	Anodyne	ref	CFAARO	COc1cc(CC[NH3+])ccc1OCc1ccccc1	in-vitro
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
O=[N+]([O-])c1cnc(Br)c(Br)c1	ZINC000000967280	51/92/15/296519215	BPMGYPAEPOYAMW-UHFFFAOYSA-N	0	281.891	CF	2.515	0	Bother	ref	CFBARN	O=[N+]([O-])c1cnc(Br)c(Br)c1	 
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
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
O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1	ZINC000001677763	65/23/23/304652323	GGRWZBVSUZZMKS-UHFFFAOYSA-N	1	286.718	CF	2.64	0	Mild	ref	CFEARO	O=C1C[N+](=O)C(c2ccccc2)c2cc(Cl)ccc2N1	world
c1ccc(CNCCCNCc2ccccc2)cc1	ZINC000001684571	69/71/93/371697193	RXLUOFXICZSZIB-UHFFFAOYSA-N	1	254.377	CF	2.956	1	Anodyne	mid	CFAAMO	c1ccc(CNCCC[NH2+]Cc2ccccc2)cc1	 
c1ccc(CNCCCNCc2ccccc2)cc1	ZINC000001684571	69/71/85/371697185	RXLUOFXICZSZIB-UHFFFAOYSA-N	2	254.377	CF	2.956	0	Anodyne	ref	CFAARP	c1ccc(C[NH2+]CCC[NH2+]Cc2ccccc2)cc1	 
Cc1cnc(Br)c(Br)c1	ZINC000001726760	70/32/22/371703222	BZUZAZMAGVFIBS-UHFFFAOYSA-N	0	250.921	CF	2.915	0	Anodyne	ref	CFAARN	Cc1cnc(Br)c(Br)c1	 
C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	ZINC000001999400	71/22/07/371712207	HQBZLVPZOGIAIQ-SDDDUWNISA-N	-1	285.387	CF	2.967	3	Anodyne	high	CFAAHM	C[C@H]1[C@H]2C(=O)c3ccc([O-])cc3[C@]1(C)CCN2CC1CC1	in-man
C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	ZINC000001999400	71/22/00/371712200	HQBZLVPZOGIAIQ-SDDDUWNISA-N	1	285.387	CF	2.967	2	Anodyne	low	CFAALO	C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CC[N@@H+]2CC1CC1	in-man
C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	ZINC000001999400	71/21/96/371712196	HQBZLVPZOGIAIQ-SDDDUWNISA-N	1	285.387	CF	2.967	2	Anodyne	low	CFAALO	C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CC[N@H+]2CC1CC1	in-man
C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	ZINC000001999400	71/21/88/371712188	HQBZLVPZOGIAIQ-SDDDUWNISA-N	0	285.387	CF	2.967	0	Anodyne	ref	CFAARN	C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	in-man
O=C(O)c1ccc(Br)cc1Br	ZINC000002034442	23/28/48/304232848	NAGGYODWMPFKJQ-UHFFFAOYSA-N	-1	279.915	CF	2.91	0	Anodyne	ref	CFAARM	O=C([O-])c1ccc(Br)cc1Br	 
COC(=O)[C@@]1(O)c2ccccc2-c2ccc(Cl)cc21	ZINC000002036069	37/87/89/277378789	LINPVWIEWJTEEJ-OAHLLOKOSA-N	0	274.703	CF	2.729	0	Anodyne	ref	CFAARN	COC(=O)[C@@]1(O)c2ccccc2-c2ccc(Cl)cc21	 
COC(=O)[C@]1(O)c2ccccc2-c2ccc(Cl)cc21	ZINC000002036070	71/33/67/371713367	LINPVWIEWJTEEJ-HNNXBMFYSA-N	0	274.703	CF	2.729	0	Anodyne	ref	CFAARN	COC(=O)[C@]1(O)c2ccccc2-c2ccc(Cl)cc21	 
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
COc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1	ZINC000002527304	80/30/76/169803076	ZCUFFSHMOAEEIL-UHFFFAOYSA-N	0	282.299	CF	2.511	0	Anodyne	ref	CFAARN	COc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1	 
Cc1cc(Br)ncc1Br	ZINC000002559923	66/68/77/291666877	WWJLJUAHQHXDGM-UHFFFAOYSA-N	0	250.921	CF	2.915	0	Anodyne	ref	CFAARN	Cc1cc(Br)ncc1Br	 
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H]1CO1	ZINC000002567352	73/81/17/371738117	NVPOUMXZERMIJK-QWHCGFSZSA-N	0	263.337	CF	2.521	0	Mild	ref	CFEARN	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H]1CO1	in-vitro
CCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl	ZINC000002569921	73/86/64/371738664	IEUHWNLWVMLHHC-UHFFFAOYSA-N	-1	280.082	CF	2.663	0	Anodyne	ref	CFAARM	CCOC(=O)C=C([O-])c1cc(F)c(Cl)nc1Cl	in-vitro
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Cl)C(=O)O	ZINC000002570191	73/77/67/371737767	TUUQJNHCVFJMPU-LLVKDONJSA-N	-1	299.754	CF	2.86	0	Anodyne	ref	CFAARM	CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Cl)C(=O)[O-]	 
O=C(O)c1ccc(Cl)c(I)c1	ZINC000002571851	24/45/75/304244575	SDRURVZKYHGDAP-UHFFFAOYSA-N	-1	282.464	CF	2.643	0	Anodyne	ref	CFAARM	O=C([O-])c1ccc(Cl)c(I)c1	 
CCOC(=O)CC(=O)c1cccc(C(F)(F)F)c1	ZINC000002575917	74/02/37/371740237	YCHPVUWFIZXXPI-UHFFFAOYSA-N	-1	260.211	CF	2.841	0	Anodyne	ref	CFAARM	CCOC(=O)C=C([O-])c1cccc(C(F)(F)F)c1	 
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1CO1	ZINC000002579350	74/02/09/371740209	NVPOUMXZERMIJK-STQMWFEESA-N	0	263.337	CF	2.521	0	Mild	ref	CFEARN	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1CO1	in-vitro
COC(=O)/C=C/c1ccc(CBr)cc1	ZINC000002583896	18/83/25/560188325	ZSRCGGBALFGALF-VOTSOKGWSA-N	0	255.111	CF	2.768	0	Reactive	ref	CFGARN	COC(=O)/C=C/c1ccc(CBr)cc1	in-vitro
OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1	ZINC000003632771	82/05/20/304820520	OGCGXUGBDJGFFY-MRXNPFEDSA-N	1	253.345	CF	2.675	0	Anodyne	ref	CFAARO	OC(c1ccccc1)(c1ccccc1)[C@H]1CCC[NH2+]1	in-vitro
OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1	ZINC000003632772	82/03/30/304820330	OGCGXUGBDJGFFY-INIZCTEOSA-N	1	253.345	CF	2.675	0	Anodyne	ref	CFAARO	OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[NH2+]1	 
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@@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=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
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
Nc1c(Br)cc(Br)cc1[N+](=O)[O-]	ZINC000004271983	45/70/92/393457092	OBTUHOVIVLDLLD-UHFFFAOYSA-N	0	295.918	CF	2.702	0	Bother	ref	CFBARN	Nc1c(Br)cc(Br)cc1[N+](=O)[O-]	 
COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1	ZINC000004651118	86/96/25/371869625	VXEGSRKPIUDPQT-UHFFFAOYSA-N	1	283.375	CF	2.604	2	Clean	low	CFCALO	COc1ccc(N2CCN(c3ccc([NH3+])cc3)CC2)cc1	in-vitro
COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1	ZINC000004651118	86/96/14/371869614	VXEGSRKPIUDPQT-UHFFFAOYSA-N	0	283.375	CF	2.604	0	Clean	ref	CFCARN	COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1	in-vitro
Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21	ZINC000005116719	06/77/91/170067791	NTHPAPBPFQJABD-LLVKDONJSA-N	1	279.343	CF	2.889	2	Anodyne	low	CFAALO	Cn1cc(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21	world
Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21	ZINC000005116719	06/77/89/170067789	NTHPAPBPFQJABD-LLVKDONJSA-N	1	279.343	CF	2.889	2	Anodyne	low	CFAALO	Cn1cc(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21	world
Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21	ZINC000005116719	06/77/88/170067788	NTHPAPBPFQJABD-LLVKDONJSA-N	0	279.343	CF	2.889	1	Anodyne	mid	CFAAMN	Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21	world
Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21	ZINC000005116719	06/77/86/170067786	NTHPAPBPFQJABD-LLVKDONJSA-N	0	279.343	CF	2.889	0	Anodyne	ref	CFAARN	Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21	world
CN1CCN2c3ccc(O)cc3Cc3ccccc3[C@@H]2C1	ZINC000005140856	88/03/41/371880341	YTMQIPGEXLWJTN-SFHVURJKSA-N	1	280.371	CF	2.79	1	Anodyne	mid	CFABMO	C[N@H+]1CCN2c3ccc(O)cc3Cc3ccccc3[C@@H]2C1	 
CN1CCN2c3ccc(O)cc3Cc3ccccc3[C@@H]2C1	ZINC000005140856	88/03/38/371880338	YTMQIPGEXLWJTN-SFHVURJKSA-N	1	280.371	CF	2.79	1	Anodyne	mid	CFABMO	C[N@@H+]1CCN2c3ccc(O)cc3Cc3ccccc3[C@@H]2C1	 
CN1CCN2c3ccc(O)cc3Cc3ccccc3[C@@H]2C1	ZINC000005140856	88/03/25/371880325	YTMQIPGEXLWJTN-SFHVURJKSA-N	0	280.371	CF	2.79	0	Anodyne	ref	CFABRN	CN1CCN2c3ccc(O)cc3Cc3ccccc3[C@@H]2C1	 
Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F	ZINC000005331496	08/61/94/170086194	ZTEHQPVGEHUXHI-UHFFFAOYSA-N	0	260.224	CF	2.547	0	Bother	ref	CFBARN	Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F	in-vitro
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O	ZINC000005999205	16/64/52/170166452	DXYUAIFZCFRPTH-UHFFFAOYSA-N	-2	284.267	CF	2.88	3	Anodyne	high	CFAAHL	COc1cc2c(=O)c(-c3ccc([O-])cc3)coc2cc1[O-]	in-man endogenous
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O	ZINC000005999205	16/64/50/170166450	DXYUAIFZCFRPTH-UHFFFAOYSA-N	0	284.267	CF	2.88	1	Anodyne	mid	CFAAMN	COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O	in-man endogenous
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O	ZINC000005999205	16/64/48/170166448	DXYUAIFZCFRPTH-UHFFFAOYSA-N	-1	284.267	CF	2.88	0	Anodyne	ref	CFAARM	COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1[O-]	in-man endogenous
CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1	ZINC000007997952	10/97/55/282109755	HCFDWZZGGLSKEP-QGZVFWFLSA-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	ZINC000007997952	10/97/54/282109754	HCFDWZZGGLSKEP-QGZVFWFLSA-N	1	270.376	CF	2.923	0	Anodyne	ref	CFAARO	C[NH+](C)CCO[C@](C)(c1ccccc1)c1ccccn1	fda
O=C(O)c1cc(O)c2c(Cl)cc(Cl)cc2n1	ZINC000008660423	22/60/06/304226006	BGKFPRIGXAVYNX-UHFFFAOYSA-N	-1	258.06	CF	2.945	0	Anodyne	ref	CFAARM	O=C([O-])c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1	in-vivo
Cc1c(Br)cnc(Cl)c1[N+](=O)[O-]	ZINC000008698178	03/25/53/260032553	BLJOCKNDWUTFEN-UHFFFAOYSA-N	0	251.467	CF	2.714	0	Bother	ref	CFBARN	Cc1c(Br)cnc(Cl)c1[N+](=O)[O-]	 
Cc1cc(I)cnc1Br	ZINC000012359344	47/27/65/393472765	WJPSANINUBHCFE-UHFFFAOYSA-N	0	297.921	CF	2.757	0	Anodyne	ref	CFAARN	Cc1cc(I)cnc1Br	 
FC(F)(F)Oc1ccc(OC2CCNCC2)cc1	ZINC000012359744	95/58/17/371955817	RPQOTFPZKNHYFB-UHFFFAOYSA-N	1	261.243	CF	2.716	0	Anodyne	ref	CFAARO	FC(F)(F)Oc1ccc(OC2CC[NH2+]CC2)cc1