CC(C)Cc1ccc([C@H](C)C(=O)O)cc1	ZINC000000002647	24/43/15/187244315	HEFNNWSXXWATRW-JTQLQIEISA-N	-1	206.285	BG	3.073	0	Anodyne	ref	BGAARM	CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1	fda
O=C1Nc2ccccc2Sc2ccccc21	ZINC000000014023	17/67/84/560176784	RTERDTBXBYNZIS-UHFFFAOYSA-N	0	227.288	BG	3.404	0	Anodyne	ref	BGAARN	O=C1Nc2ccccc2Sc2ccccc21	in-vitro
C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	ZINC000000020228	08/37/34/491083734	SNPPWIUOZRMYNY-VIFPVBQESA-N	0	239.746	BG	3.299	3	Anodyne	high	BGAAHN	C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	fda
C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	ZINC000000020228	08/37/32/491083732	SNPPWIUOZRMYNY-VIFPVBQESA-N	1	239.746	BG	3.299	0	Anodyne	ref	BGAARO	C[C@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	fda
C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	ZINC000000057206	82/20/80/383822080	SNPPWIUOZRMYNY-SECBINFHSA-N	0	239.746	BG	3.299	3	Anodyne	high	BGAAHN	C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	fda
C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	ZINC000000057206	82/20/78/383822078	SNPPWIUOZRMYNY-SECBINFHSA-N	1	239.746	BG	3.299	0	Anodyne	ref	BGAARO	C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	fda
Cc1c(OCC(F)(F)F)ccnc1CCl	ZINC000000058231	17/71/86/560177186	AENYCMZUDXQARW-UHFFFAOYSA-N	1	239.624	BG	3.07	2	Reactive	low	BGGALO	Cc1c(OCC(F)(F)F)cc[nH+]c1CCl	in-vitro
Cc1c(OCC(F)(F)F)ccnc1CCl	ZINC000000058231	17/71/85/560177185	AENYCMZUDXQARW-UHFFFAOYSA-N	0	239.624	BG	3.07	0	Reactive	ref	BGGARN	Cc1c(OCC(F)(F)F)ccnc1CCl	in-vitro
CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1	ZINC000000113398	82/73/87/383827387	HEFNNWSXXWATRW-SNVBAGLBSA-N	-1	206.285	BG	3.073	0	Anodyne	ref	BGAARM	CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1	fda
C[C@@H](Br)C(=O)c1cccc(Cl)c1	ZINC000002509748	18/71/95/560187195	OFNMQTRHMBQQEA-ZCFIWIBFSA-N	0	247.519	BG	3.306	0	Reactive	ref	BGGARN	C[C@@H](Br)C(=O)c1cccc(Cl)c1	in-vitro
c1ccc2c(c1)[nH]c1cccc(OC[C@@H]3CO3)c12	ZINC000002529779	97/20/92/383972092	SVWKIGRDISDRLO-JTQLQIEISA-N	0	239.274	BG	3.099	0	Mild	ref	BGEARN	c1ccc2c(c1)[nH]c1cccc(OC[C@@H]3CO3)c12	in-vitro
O=C1c2ccc(Cl)cc2CCc2cccnc21	ZINC000002569976	84/39/90/182843990	WMQNOYVVLMIZDV-UHFFFAOYSA-N	0	243.693	BG	3.065	0	Anodyne	ref	BGAARN	O=C1c2ccc(Cl)cc2CCc2cccnc21	in-vitro
C[C@H](Br)C(=O)c1cccc(Cl)c1	ZINC000003284958	18/88/99/560188899	OFNMQTRHMBQQEA-LURJTMIESA-N	0	247.519	BG	3.306	0	Reactive	ref	BGGARN	C[C@H](Br)C(=O)c1cccc(Cl)c1	in-vitro
c1ccc2c(c1)[nH]c1cccc(OC[C@H]3CO3)c12	ZINC000012336756	31/15/04/384311504	SVWKIGRDISDRLO-SNVBAGLBSA-N	0	239.274	BG	3.099	0	Mild	ref	BGEARN	c1ccc2c(c1)[nH]c1cccc(OC[C@H]3CO3)c12	in-vitro
CC(C)Cc1cccc([C@@H](C)C(=O)O)c1	ZINC000013646196	86/90/99/342869099	SFVKLYXPBKITCE-SNVBAGLBSA-N	-1	206.285	BG	3.073	0	Anodyne	ref	BGAARM	CC(C)Cc1cccc([C@@H](C)C(=O)[O-])c1	in-vivo
CC(C)Cc1cccc([C@H](C)C(=O)O)c1	ZINC000013646198	10/57/91/188105791	SFVKLYXPBKITCE-JTQLQIEISA-N	-1	206.285	BG	3.073	0	Anodyne	ref	BGAARM	CC(C)Cc1cccc([C@H](C)C(=O)[O-])c1	in-vivo
Cc1cc2c(s1)Nc1ccccc1NC2=O	ZINC000022057594	29/35/40/178293540	LVTDAJJOMLNXFS-UHFFFAOYSA-N	0	230.292	BG	3.366	0	Anodyne	ref	BGAARN	Cc1cc2c(s1)Nc1ccccc1NC2=O	in-vitro
CN(C)C[C@@H](c1ccccc1)C1(O)CCCCC1	ZINC000026738326	79/78/58/384797858	QOVGVRHIJYHFST-HNNXBMFYSA-N	0	247.382	BG	3.027	3	Anodyne	high	BGABHN	CN(C)C[C@@H](c1ccccc1)C1(O)CCCCC1	in-vitro
CN(C)C[C@@H](c1ccccc1)C1(O)CCCCC1	ZINC000026738326	79/78/48/384797848	QOVGVRHIJYHFST-HNNXBMFYSA-N	1	247.382	BG	3.027	0	Anodyne	ref	BGABRO	C[NH+](C)C[C@@H](c1ccccc1)C1(O)CCCCC1	in-vitro
CN(C)C[C@H](c1ccccc1)C1(O)CCCCC1	ZINC000026738336	79/88/81/384798881	QOVGVRHIJYHFST-OAHLLOKOSA-N	0	247.382	BG	3.027	3	Anodyne	high	BGABHN	CN(C)C[C@H](c1ccccc1)C1(O)CCCCC1	in-vitro
CN(C)C[C@H](c1ccccc1)C1(O)CCCCC1	ZINC000026738336	79/88/77/384798877	QOVGVRHIJYHFST-OAHLLOKOSA-N	1	247.382	BG	3.027	0	Anodyne	ref	BGABRO	C[NH+](C)C[C@H](c1ccccc1)C1(O)CCCCC1	in-vitro
C[C@H](NC(C)(C)C)C(=O)c1ccccc1Cl	ZINC000033647597	25/56/43/385255643	AYTXQMWGRNAJBA-VIFPVBQESA-N	0	239.746	BG	3.299	3	Anodyne	high	BGAAHN	C[C@H](NC(C)(C)C)C(=O)c1ccccc1Cl	in-vitro
C[C@H](NC(C)(C)C)C(=O)c1ccccc1Cl	ZINC000033647597	25/56/34/385255634	AYTXQMWGRNAJBA-VIFPVBQESA-N	1	239.746	BG	3.299	0	Anodyne	ref	BGAARO	C[C@H]([NH2+]C(C)(C)C)C(=O)c1ccccc1Cl	in-vitro
C[C@@H](NC(C)(C)C)C(=O)c1ccccc1Cl	ZINC000033647599	25/74/49/385257449	AYTXQMWGRNAJBA-SECBINFHSA-N	0	239.746	BG	3.299	3	Anodyne	high	BGAAHN	C[C@@H](NC(C)(C)C)C(=O)c1ccccc1Cl	in-vitro
C[C@@H](NC(C)(C)C)C(=O)c1ccccc1Cl	ZINC000033647599	25/74/43/385257443	AYTXQMWGRNAJBA-SECBINFHSA-N	1	239.746	BG	3.299	0	Anodyne	ref	BGAARO	C[C@@H]([NH2+]C(C)(C)C)C(=O)c1ccccc1Cl	in-vitro
C[C@H](NC(C)(C)C)C(=O)c1ccc(Cl)cc1	ZINC000033647601	25/60/97/385256097	IELBAACIVCODPI-VIFPVBQESA-N	0	239.746	BG	3.299	3	Anodyne	high	BGAAHN	C[C@H](NC(C)(C)C)C(=O)c1ccc(Cl)cc1	in-vivo
C[C@H](NC(C)(C)C)C(=O)c1ccc(Cl)cc1	ZINC000033647601	25/60/90/385256090	IELBAACIVCODPI-VIFPVBQESA-N	1	239.746	BG	3.299	0	Anodyne	ref	BGAARO	C[C@H]([NH2+]C(C)(C)C)C(=O)c1ccc(Cl)cc1	in-vivo
C[C@@H](NC(C)(C)C)C(=O)c1ccc(Cl)cc1	ZINC000033647603	25/63/09/385256309	IELBAACIVCODPI-SECBINFHSA-N	0	239.746	BG	3.299	3	Anodyne	high	BGAAHN	C[C@@H](NC(C)(C)C)C(=O)c1ccc(Cl)cc1	in-vivo
C[C@@H](NC(C)(C)C)C(=O)c1ccc(Cl)cc1	ZINC000033647603	25/62/99/385256299	IELBAACIVCODPI-SECBINFHSA-N	1	239.746	BG	3.299	0	Anodyne	ref	BGAARO	C[C@@H]([NH2+]C(C)(C)C)C(=O)c1ccc(Cl)cc1	in-vivo
CCCCc1ccc([C@@H](C)C(=O)O)cc1	ZINC000036157909	02/18/85/169021885	FEFPDZIYEWFQFK-SNVBAGLBSA-N	-1	206.285	BG	3.217	0	Anodyne	ref	BGAARM	CCCCc1ccc([C@@H](C)C(=O)[O-])cc1	in-vitro
CCCCc1ccc([C@H](C)C(=O)O)cc1	ZINC000036157911	02/27/53/169022753	FEFPDZIYEWFQFK-JTQLQIEISA-N	-1	206.285	BG	3.217	0	Anodyne	ref	BGAARM	CCCCc1ccc([C@H](C)C(=O)[O-])cc1	in-vitro
COc1cccc(C2=CCCC[C@H]2CN(C)C)c1	ZINC000065739678	24/87/79/175248779	NLNQAKPOVVMNEG-AWEZNQCLSA-N	1	245.366	BG	3.44	0	Anodyne	ref	BGAARO	COc1cccc(C2=CCCC[C@H]2C[NH+](C)C)c1	in-vitro
COc1cccc(C2=CCCC[C@@H]2CN(C)C)c1	ZINC000065739680	24/89/12/175248912	NLNQAKPOVVMNEG-CQSZACIVSA-N	1	245.366	BG	3.44	0	Anodyne	ref	BGAARO	COc1cccc(C2=CCCC[C@@H]2C[NH+](C)C)c1	in-vitro
Cc1cc2c(s1)Nc1ccccc1N=C2N	ZINC000100005589	29/25/69/178292569	ZTTWQKYKGNLCCA-UHFFFAOYSA-N	1	229.308	BG	3.151	1	Anodyne	mid	BGAAMO	Cc1cc2c(s1)Nc1ccccc1NC2=[NH2+]	in-vitro
Cc1cc2c(s1)Nc1ccccc1N=C2N	ZINC000100005589	29/25/68/178292568	ZTTWQKYKGNLCCA-UHFFFAOYSA-N	0	229.308	BG	3.151	0	Anodyne	ref	BGAARN	Cc1cc2c(s1)Nc1ccccc1NC2=N	in-vitro