CC[C@]1(c2cccc(O)c2)CCCCN(C)C1	ZINC000000000460	66/92/96/342669296	JLICHNCFTLFZJN-HNNXBMFYSA-N	1	233.355	BG	3.156	1	Anodyne	mid	BGAAMO	CC[C@]1(c2cccc(O)c2)CCCC[N@@H+](C)C1	world
CC[C@]1(c2cccc(O)c2)CCCCN(C)C1	ZINC000000000460	66/92/95/342669295	JLICHNCFTLFZJN-HNNXBMFYSA-N	1	233.355	BG	3.156	0	Anodyne	ref	BGAARO	CC[C@]1(c2cccc(O)c2)CCCC[N@H+](C)C1	world
CC[C@@]1(c2cccc(O)c2)CCCCN(C)C1	ZINC000000000854	21/65/81/171216581	JLICHNCFTLFZJN-OAHLLOKOSA-N	1	233.355	BG	3.156	1	Anodyne	mid	BGAAMO	CC[C@@]1(c2cccc(O)c2)CCCC[N@@H+](C)C1	world
CC[C@@]1(c2cccc(O)c2)CCCCN(C)C1	ZINC000000000854	21/65/77/171216577	JLICHNCFTLFZJN-OAHLLOKOSA-N	1	233.355	BG	3.156	0	Anodyne	ref	BGAARO	CC[C@@]1(c2cccc(O)c2)CCCC[N@H+](C)C1	world
CC[N+](C)(C)Cc1ccccc1Br	ZINC000000001041	66/93/06/342669306	AAQOQKQBGPPFNS-UHFFFAOYSA-N	1	243.168	BG	3.045	0	Bother	ref	BGBARO	CC[N+](C)(C)Cc1ccccc1Br	world
Cc1c(-c2cnccn2)ssc1=S	ZINC000000001852	66/93/54/342669354	CKNAQFVBEHDJQV-UHFFFAOYSA-N	0	226.351	BG	3.305	0	Anodyne	ref	BGAARN	Cc1c(-c2cnccn2)ssc1=S	world biogenic
Cc1cccc(C)c1NC1=NCCCS1	ZINC000000002248	04/37/83/179043783	BPICBUSOMSTKRF-UHFFFAOYSA-N	1	220.341	BG	3.208	1	Anodyne	mid	BGAAMO	Cc1cccc(C)c1NC1=[NH+]CCCS1	in-man
Cc1cccc(C)c1NC1=NCCCS1	ZINC000000002248	04/37/82/179043782	BPICBUSOMSTKRF-UHFFFAOYSA-N	0	220.341	BG	3.208	0	Anodyne	ref	BGAARN	Cc1cccc(C)c1NC1=NCCCS1	in-man
c1ccc(-c2cccc(-c3ccccn3)n2)nc1	ZINC000000009065	37/97/09/183379709	DRGAZIDRYFYHIJ-UHFFFAOYSA-N	0	233.274	BG	3.206	0	Anodyne	ref	BGAARN	c1ccc(-c2cccc(-c3ccccn3)n2)nc1	in-vivo
O=C(O)/C=C/c1ccc(Cl)c(Cl)c1	ZINC000000056453	74/81/72/384748172	RRLUFPHCTSFKNR-DUXPYHPUSA-N	-1	217.051	BG	3.091	0	Anodyne	ref	BGAARM	O=C([O-])/C=C/c1ccc(Cl)c(Cl)c1	in-vitro biogenic
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1	ZINC000000056648	18/81/51/170188151	KNHUKKLJHYUCFP-UHFFFAOYSA-N	0	242.702	BG	3.061	0	Anodyne	ref	BGAARN	CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1	world
O=C(O)c1cc(Cl)cc(Cl)c1Cl	ZINC000000056775	67/19/97/342671997	CGFDSIZRJWMQPP-UHFFFAOYSA-N	-1	225.458	BG	3.345	0	Anodyne	ref	BGAARM	O=C([O-])c1cc(Cl)cc(Cl)c1Cl	 
CCC(=O)c1ccc2cc(OC)ccc2c1	ZINC000000056841	25/72/79/168257279	LWOTXBQKJLOAOZ-UHFFFAOYSA-N	0	214.264	BG	3.441	0	Anodyne	ref	BGAARN	CCC(=O)c1ccc2cc(OC)ccc2c1	 
C=COC(=O)c1ccc(C(C)(C)C)cc1	ZINC000000056842	67/19/30/342671930	ZLHVSEPPILCZHH-UHFFFAOYSA-N	0	204.269	BG	3.284	0	Anodyne	ref	BGAARN	C=COC(=O)c1ccc(C(C)(C)C)cc1	 
CC(C)(C1CCC(O)CC1)C1CCC(O)CC1	ZINC000000056940	40/73/25/187407325	CDBAMNGURPMUTG-UHFFFAOYSA-N	0	240.387	BG	3.115	0	Anodyne	ref	BGAARN	CC(C)(C1CCC(O)CC1)C1CCC(O)CC1	 
Cc1cc(N)ccc1-c1ccc(N)cc1C	ZINC000000057105	24/45/20/187244520	QYIMZXITLDTULQ-UHFFFAOYSA-N	0	212.296	BG	3.135	0	Anodyne	ref	BGAARN	Cc1cc(N)ccc1-c1ccc(N)cc1C	 
CC(C)OC(=O)Nc1cccc(Cl)c1	ZINC000000057368	16/60/87/167166087	CWJSHJJYOPWUGX-UHFFFAOYSA-N	0	213.664	BG	3.297	0	Anodyne	ref	BGAARN	CC(C)OC(=O)Nc1cccc(Cl)c1	investigational
Cc1ccc2nc(Cl)c(C=O)cc2c1	ZINC000000058232	67/21/28/342672128	FSLNYYZJXMGKHK-UHFFFAOYSA-N	0	205.644	BG	3.009	0	Anodyne	ref	BGAARN	Cc1ccc2nc(Cl)c(C=O)cc2c1	 
O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2	ZINC000000063322	12/86/74/344128674	XFOHWECQTFIEIX-UHFFFAOYSA-N	0	211.22	BG	3.166	0	Bother	ref	BGBARN	O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2	in-vitro
Cc1cc(Cc2ccc(N)c(C)c2)ccc1N	ZINC000000078247	05/92/36/178059236	WECDUOXQLAIPQW-UHFFFAOYSA-N	0	226.323	BG	3.059	0	Anodyne	ref	BGAARN	Cc1cc(Cc2ccc(N)c(C)c2)ccc1N	in-vitro
O=C(O)C1c2ccccc2Oc2ccccc21	ZINC000000078659	82/33/55/383823355	VSBFNCXKYIEYIS-UHFFFAOYSA-N	-1	226.231	BG	3.009	0	Anodyne	ref	BGAARM	O=C([O-])C1c2ccccc2Oc2ccccc21	in-vitro biogenic
COC(=O)C1c2ccccc2Oc2ccccc21	ZINC000000078671	67/31/53/342673153	RFHABUQANXJNQS-UHFFFAOYSA-N	0	240.258	BG	3.097	0	Anodyne	ref	BGAARN	COC(=O)C1c2ccccc2Oc2ccccc21	 
O=C1O/C(=C\c2ccccc2)c2ccccc21	ZINC000000080737	82/51/88/383825188	YRTPZXMEBGTPLM-UVTDQMKNSA-N	0	222.243	BG	3.355	0	Anodyne	ref	BGAARN	O=C1O/C(=C\c2ccccc2)c2ccccc21	 
Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1	ZINC000000086537	67/36/08/342673608	POTDIELOEHTPJN-UHFFFAOYSA-N	0	240.328	BG	3.121	0	Anodyne	ref	BGAARN	Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1	 
O=[N+]([O-])c1ccc(OCc2ccccc2)cc1	ZINC000000091993	32/77/84/344327784	YOVUXLHIVNBVKO-UHFFFAOYSA-N	0	229.235	BG	3.174	0	Bother	ref	BGBARN	O=[N+]([O-])c1ccc(OCc2ccccc2)cc1	 
Cc1onc(-c2ccccc2Cl)c1C(=O)O	ZINC000000105306	55/20/15/180552015	UVEPOHNXGXVOJE-UHFFFAOYSA-N	-1	237.642	BG	3.002	0	Anodyne	ref	BGAARM	Cc1onc(-c2ccccc2Cl)c1C(=O)[O-]	 
CCOC(=O)c1c(-c2ccccc2)csc1N	ZINC000000117489	28/73/69/170287369	WYTHTMKMOSPACP-UHFFFAOYSA-N	0	247.319	BG	3.174	0	Anodyne	ref	BGAARN	CCOC(=O)c1c(-c2ccccc2)csc1N	in-vitro
O=C(O)C1(c2ccc(Cl)cc2)CCCC1	ZINC000000119473	82/99/64/383829964	QJNFJEMGWIQMJT-UHFFFAOYSA-N	-1	224.687	BG	3.236	0	Anodyne	ref	BGAARM	O=C([O-])C1(c2ccc(Cl)cc2)CCCC1	 
Cc1ccnc2c1ccc1c(C)ccnc12	ZINC000000120461	82/98/18/383829818	JIVLDFFWTQYGSR-UHFFFAOYSA-N	0	208.264	BG	3.4	0	Bother	ref	BGBARN	Cc1ccnc2c1ccc1c(C)ccnc12	in-vivo
COc1cc(Nc2ccccc2)ccc1N	ZINC000000120608	09/89/44/188098944	PSLCQHFPBXQZLI-UHFFFAOYSA-N	0	214.268	BG	3.021	0	Anodyne	ref	BGAARN	COc1cc(Nc2ccccc2)ccc1N	 
Oc1ccc(/C=N/c2ccc(F)cc2)cc1	ZINC000000121600	26/71/72/183267172	VNNJGDYPPLXJFF-OQLLNIDSSA-N	-1	215.227	BG	3.282	3	Mild	high	BGEAHM	[O-]c1ccc(/C=N/c2ccc(F)cc2)cc1	 
Oc1ccc(/C=N/c2ccc(F)cc2)cc1	ZINC000000121600	26/71/70/183267170	VNNJGDYPPLXJFF-OQLLNIDSSA-N	0	215.227	BG	3.282	0	Mild	ref	BGEARN	Oc1ccc(/C=N/c2ccc(F)cc2)cc1	 
Nc1ccccc1C(=O)Nc1cccc(Cl)c1	ZINC000000122626	67/58/06/342675806	PODFNAVRZPMCEM-UHFFFAOYSA-N	0	246.697	BG	3.175	0	Anodyne	ref	BGAARN	Nc1ccccc1C(=O)Nc1cccc(Cl)c1	 
COc1ccc(C(=O)c2ccc(F)cc2)cc1	ZINC000000129402	06/60/70/175066070	VWGWRNBIAWTWIB-UHFFFAOYSA-N	0	230.238	BG	3.065	0	Anodyne	ref	BGAARN	COc1ccc(C(=O)c2ccc(F)cc2)cc1	 
ON(Cc1ccccc1)Cc1ccccc1	ZINC000000130015	17/20/34/183172034	GXELTROTKVKZBQ-UHFFFAOYSA-N	0	213.28	BG	3.078	0	Anodyne	ref	BGAARN	ON(Cc1ccccc1)Cc1ccccc1	 
CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O	ZINC000000132915	67/63/63/342676363	RDQSIADLBQFVMY-UHFFFAOYSA-N	0	220.312	BG	3.083	0	Mild	ref	BGEARN	CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O	in-man endogenous
Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000133397	82/94/86/383829486	WEAYCYAIVOIUMG-UHFFFAOYSA-N	0	246.331	BG	3.136	0	Anodyne	ref	BGAARN	Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1	 
O=C(c1ccccc1)c1cc(Cl)ccc1O	ZINC000000136128	67/64/86/342676486	OMWSZDODENFLSV-UHFFFAOYSA-N	0	232.666	BG	3.277	2	Anodyne	low	BGAALN	O=C(c1ccccc1)c1cc(Cl)ccc1O	 
O=C(c1ccccc1)c1cc(Cl)ccc1O	ZINC000000136128	67/64/84/342676484	OMWSZDODENFLSV-UHFFFAOYSA-N	-1	232.666	BG	3.277	0	Anodyne	ref	BGAARM	O=C(c1ccccc1)c1cc(Cl)ccc1[O-]	 
CC(C)(c1ccc(N)cc1)c1ccc(N)cc1	ZINC000000153244	27/21/92/188272192	ZYEDGEXYGKWJPB-UHFFFAOYSA-N	0	226.323	BG	3.177	0	Anodyne	ref	BGAARN	CC(C)(c1ccc(N)cc1)c1ccc(N)cc1	 
CCOC(=O)c1cc(Cl)cc(Cl)c1	ZINC000000153336	29/24/71/170292471	JRLNLVFPSMDPLU-UHFFFAOYSA-N	0	219.067	BG	3.17	0	Anodyne	ref	BGAARN	CCOC(=O)c1cc(Cl)cc(Cl)c1	 
CC(C)(C)OC(=O)n1cc(C=O)c2ccccc21	ZINC000000153445	67/53/34/166675334	GDYHUGFAKMUUQL-UHFFFAOYSA-N	0	245.278	BG	3.237	0	Anodyne	ref	BGAARN	CC(C)(C)OC(=O)n1cc(C=O)c2ccccc21	 
O=C(O)c1ccccc1CCc1ccccc1	ZINC000000155141	67/76/61/342677661	IOHPVZBSOKLVMN-UHFFFAOYSA-N	-1	226.275	BG	3.17	0	Anodyne	ref	BGAARM	O=C([O-])c1ccccc1CCc1ccccc1	 
N[C@@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000000155169	67/76/31/342677631	XAFODXGEQUOEKN-ZDUSSCGKSA-N	0	217.699	BG	3.388	3	Anodyne	high	BGAAHN	N[C@@H](c1ccccc1)c1ccc(Cl)cc1	 
N[C@@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000000155169	67/76/28/342677628	XAFODXGEQUOEKN-ZDUSSCGKSA-N	1	217.699	BG	3.388	0	Anodyne	ref	BGAARO	[NH3+][C@@H](c1ccccc1)c1ccc(Cl)cc1	 
N[C@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000000155170	67/77/11/342677711	XAFODXGEQUOEKN-CYBMUJFWSA-N	0	217.699	BG	3.388	3	Anodyne	high	BGAAHN	N[C@H](c1ccccc1)c1ccc(Cl)cc1	 
N[C@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000000155170	67/77/09/342677709	XAFODXGEQUOEKN-CYBMUJFWSA-N	1	217.699	BG	3.388	0	Anodyne	ref	BGAARO	[NH3+][C@H](c1ccccc1)c1ccc(Cl)cc1	 
O=C(c1ccccc1)c1ccc(F)cc1F	ZINC000000155242	67/77/66/342677766	FRHMSTHFVFIPCO-UHFFFAOYSA-N	0	218.202	BG	3.196	0	Anodyne	ref	BGAARN	O=C(c1ccccc1)c1ccc(F)cc1F	 
O=C(O)C1(c2ccc(Cl)cc2Cl)CC1	ZINC000000155670	83/70/41/383837041	MIBWNJWOBDYPRS-UHFFFAOYSA-N	-1	231.078	BG	3.11	0	Anodyne	ref	BGAARM	O=C([O-])C1(c2ccc(Cl)cc2Cl)CC1	 
CC(=O)c1cc(C(F)(F)F)ccc1F	ZINC000000157373	83/53/51/383835351	PYEGOARCMCIYCW-UHFFFAOYSA-N	0	206.138	BG	3.047	0	Anodyne	ref	BGAARN	CC(=O)c1cc(C(F)(F)F)ccc1F	 
Brc1nc2ccccc2s1	ZINC000000158626	09/85/51/188098551	DRLMMVPCYXFPEP-UHFFFAOYSA-N	0	214.087	BG	3.059	0	Anodyne	ref	BGAARN	Brc1nc2ccccc2s1	 
CC(=O)c1cccc(OCc2ccccc2)c1	ZINC000000160664	47/80/58/166478058	FGQMEAWGAUALJQ-UHFFFAOYSA-N	0	226.275	BG	3.468	0	Anodyne	ref	BGAARN	CC(=O)c1cccc(OCc2ccccc2)c1	in-vitro
FC(F)(F)c1ccc(Br)cc1	ZINC000000164872	89/25/81/180892581	XLQSXGGDTHANLN-UHFFFAOYSA-N	0	225.007	BG	3.468	0	Anodyne	ref	BGAARN	FC(F)(F)c1ccc(Br)cc1	 
COc1cc2ccccc2c(=O)c2ccsc12	ZINC000000173536	02/77/66/175027766	ZSGIVIUNURDDJL-UHFFFAOYSA-N	0	242.299	BG	3.423	0	Bother	ref	BGBARN	COc1cc2ccccc2c(=O)c2ccsc12	 
O=C(O)c1cccnc1SCc1ccccc1	ZINC000000217951	68/04/03/342680403	OJNZDGDYAXCHPB-UHFFFAOYSA-N	-1	245.303	BG	3.072	0	Anodyne	ref	BGAARM	O=C([O-])c1cccnc1SCc1ccccc1	 
COc1cc(C)c(/C=C/C(C)=O)c(C)c1C	ZINC000000235432	68/09/40/342680940	NMRRLIHKRCVLLQ-VOTSOKGWSA-N	0	218.296	BG	3.223	0	Mild	ref	BGEARN	COc1cc(C)c(/C=C/C(C)=O)c(C)c1C	 
COc1ccc(C(=O)c2ccc(C)cc2)cc1	ZINC000000240957	06/61/11/175066111	IHMWJDNMIIEDDN-UHFFFAOYSA-N	0	226.275	BG	3.235	0	Anodyne	ref	BGAARN	COc1ccc(C(=O)c2ccc(C)cc2)cc1	 
Oc1ccc(NCc2cccs2)cc1	ZINC000000250523	27/68/66/183276866	RCGVPMFFTDNWMF-UHFFFAOYSA-N	0	205.282	BG	3.066	0	Anodyne	ref	BGAARN	Oc1ccc(NCc2cccs2)cc1	 
Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000000295268	77/76/42/181777642	KZUCBEYDRUCBCS-UHFFFAOYSA-N	0	247.301	BG	3.393	0	Anodyne	ref	BGAARN	Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	in-vivo
O=[N+]([O-])c1cc(Br)ccc1Cl	ZINC000000332360	27/33/41/188273341	DJRYWPGOQTUJMQ-UHFFFAOYSA-N	0	236.452	BG	3.011	0	Bother	ref	BGBARN	O=[N+]([O-])c1cc(Br)ccc1Cl	 
CCC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000362579	24/43/63/168244363	LFULEKSKNZEWOE-UHFFFAOYSA-N	0	218.083	BG	3.342	0	Anodyne	ref	BGAARN	CCC(=O)Nc1ccc(Cl)c(Cl)c1	in-vitro
CCN(CC)P(N(CC)CC)N(CC)CC	ZINC000000391998	68/60/95/342686095	FDIOSTIIZGWENY-UHFFFAOYSA-N	1	247.367	BG	3.239	0	Anodyne	ref	BGAARO	CCN(CC)[PH+](N(CC)CC)N(CC)CC	 
COc1ccc(Nc2ccc(OC)cc2)cc1	ZINC000000392385	86/22/64/383862264	VCOONNWIINSFBA-UHFFFAOYSA-N	0	229.279	BG	3.447	0	Anodyne	ref	BGAARN	COc1ccc(Nc2ccc(OC)cc2)cc1	 
O=C(Cc1ccccc1)OCCc1ccccc1	ZINC000000393780	77/38/74/351773874	ZOZIRNMDEZKZHM-UHFFFAOYSA-N	0	240.302	BG	3.015	0	Anodyne	ref	BGAARN	O=C(Cc1ccccc1)OCCc1ccccc1	in-man endogenous
N#C[C@@H](c1ccc(Cl)cc1)c1ccccn1	ZINC000000394124	05/75/70/181057570	TVLXKCIMEBLREH-LBPRGKRZSA-N	0	228.682	BG	3.39	0	Mild	ref	BGEARN	N#C[C@@H](c1ccc(Cl)cc1)c1ccccn1	 
Nc1ccccc1C(=O)c1ccc(Cl)cc1	ZINC000000394816	68/61/40/342686140	APHLSUBLNQBFTM-UHFFFAOYSA-N	0	231.682	BG	3.153	0	Anodyne	ref	BGAARN	Nc1ccccc1C(=O)c1ccc(Cl)cc1	 
O=C(O)Cc1ccc(Oc2ccccc2)cc1	ZINC000000395757	49/16/08/182491608	VARVNFDGRLLTCI-UHFFFAOYSA-N	-1	228.247	BG	3.106	0	Anodyne	ref	BGAARM	O=C([O-])Cc1ccc(Oc2ccccc2)cc1	in-vitro
CC(C)Oc1cccc(Br)c1	ZINC000000403355	30/40/69/167304069	JYWJZIQSPRFCDB-UHFFFAOYSA-N	0	215.09	BG	3.236	0	Anodyne	ref	BGAARN	CC(C)Oc1cccc(Br)c1	 
Nc1nc2cc(Cl)c(Cl)cc2s1	ZINC000000404080	68/67/38/342686738	GHKHTBMTSUEBJD-UHFFFAOYSA-N	0	219.096	BG	3.185	0	Anodyne	ref	BGAARN	Nc1nc2cc(Cl)c(Cl)cc2s1	 
COc1ccc(Br)c(C)c1C	ZINC000000404122	86/46/74/383864674	WOWNZZYJCUUIFC-UHFFFAOYSA-N	0	215.09	BG	3.075	0	Anodyne	ref	BGAARN	COc1ccc(Br)c(C)c1C	 
O=Cc1ccc(OCc2cccc(F)c2)cc1	ZINC000000450399	86/89/52/383868952	DNKSIIHRKWTIRH-UHFFFAOYSA-N	0	230.238	BG	3.217	0	Anodyne	ref	BGAARN	O=Cc1ccc(OCc2cccc(F)c2)cc1	 
Cc1ccc2c(c1)[C@@H](c1ccccc1)CC(=O)O2	ZINC000000522145	68/92/05/342689205	SUHIZPDCJOQZLN-CYBMUJFWSA-N	0	238.286	BG	3.436	0	Anodyne	ref	BGAARN	Cc1ccc2c(c1)[C@@H](c1ccccc1)CC(=O)O2	in-vitro
Cc1ccc2c(c1)[C@H](c1ccccc1)CC(=O)O2	ZINC000000522146	68/90/75/342689075	SUHIZPDCJOQZLN-ZDUSSCGKSA-N	0	238.286	BG	3.436	0	Anodyne	ref	BGAARN	Cc1ccc2c(c1)[C@H](c1ccccc1)CC(=O)O2	in-vitro
Cc1cc(C)c(I)c(C)c1	ZINC000001048861	88/94/62/383889462	GTPNXFKONRIHRW-UHFFFAOYSA-N	0	246.091	BG	3.216	0	Anodyne	ref	BGAARN	Cc1cc(C)c(I)c(C)c1	 
COc1ccc(-c2cccc(C(=O)O)c2)cc1	ZINC000001132980	03/44/95/175034495	VWDMBLJBLIUXFS-UHFFFAOYSA-N	-1	228.247	BG	3.06	0	Anodyne	ref	BGAARM	COc1ccc(-c2cccc(C(=O)[O-])c2)cc1	 
COc1ccc(-c2cccc(C=O)c2)cc1	ZINC000001257551	03/44/72/175034472	MMXLQHMKFDEKHM-UHFFFAOYSA-N	0	212.248	BG	3.175	0	Anodyne	ref	BGAARN	COc1ccc(-c2cccc(C=O)c2)cc1	 
Sc1nnc(SCc2ccccc2)s1	ZINC000001299285	27/36/38/188273638	UBLXSSRRVRLOEO-UHFFFAOYSA-N	0	240.378	BG	3.119	1	Anodyne	mid	BGAAMN	S=c1[nH]nc(SCc2ccccc2)s1	 
Sc1nnc(SCc2ccccc2)s1	ZINC000001299285	27/36/36/188273636	UBLXSSRRVRLOEO-UHFFFAOYSA-N	-1	240.378	BG	3.119	0	Anodyne	ref	BGAARM	S=c1[n-]nc(SCc2ccccc2)s1	 
CC(C)(C)c1cc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000001519015	93/01/37/355930137	KWEGNNIENUBTCE-UHFFFAOYSA-N	0	218.256	BG	3.374	0	Bother	ref	BGBARN	CC(C)(C)c1cc2cc([N+](=O)[O-])ccc2[nH]1	 
C#Cc1ccc2c(c1)C(C)(C)CCS2	ZINC000001537155	22/54/70/188225470	KVHNVHGCQWNGLG-UHFFFAOYSA-N	0	202.322	BG	3.441	0	Mild	ref	BGEARN	C#Cc1ccc2c(c1)C(C)(C)CCS2	 
CCCCN(CCCC)C(=S)S	ZINC000001587358	90/92/72/383909272	SZRLKIKBPASKQH-UHFFFAOYSA-N	-1	205.392	BG	3.103	0	Anodyne	ref	BGAARM	CCCCN(CCCC)C(=S)[S-]	 
Cc1ccc(C(=O)C(=O)c2ccc(C)cc2)cc1	ZINC000001590056	37/18/16/178371816	BCWCEHMHCDCJAD-UHFFFAOYSA-N	0	238.286	BG	3.369	0	Clean	ref	BGCARN	Cc1ccc(C(=O)C(=O)c2ccc(C)cc2)cc1	in-vivo
O=C(c1ccc(Cl)cc1)C(F)(F)F	ZINC000001598725	70/52/08/342705208	DYPQUENOGZXOGE-UHFFFAOYSA-N	0	208.566	BG	3.085	0	Anodyne	ref	BGAARN	O=C(c1ccc(Cl)cc1)C(F)(F)F	 
Nc1ccc2cc(Br)ccc2c1	ZINC000001600009	70/50/82/342705082	UBLKHAWYJFEPDX-UHFFFAOYSA-N	0	222.085	BG	3.185	0	Anodyne	ref	BGAARN	Nc1ccc2cc(Br)ccc2c1	in-vitro
CCc1ccc(C(=O)O)c2ccccc12	ZINC000001600595	78/76/97/171787697	PLFCGQDMWZGHOQ-UHFFFAOYSA-N	-1	200.237	BG	3.1	0	Anodyne	ref	BGAARM	CCc1ccc(C(=O)[O-])c2ccccc12	in-vitro
c1ccc(NCCNc2ccccc2)cc1	ZINC000001648199	91/43/22/383914322	NOUUUQMKVOUUNR-UHFFFAOYSA-N	0	212.296	BG	3.211	0	Anodyne	ref	BGAARN	c1ccc(NCCNc2ccccc2)cc1	 
COc1cc(C)c(Br)c(C)c1	ZINC000001670356	92/13/14/383921314	RAWZVIWEDAGMPW-UHFFFAOYSA-N	0	215.09	BG	3.075	0	Anodyne	ref	BGAARN	COc1cc(C)c(Br)c(C)c1	 
OCc1ccc(Sc2ccccc2)cc1	ZINC000001675834	16/57/76/183165776	PGOAWMRWDZJQTB-UHFFFAOYSA-N	0	216.305	BG	3.33	0	Anodyne	ref	BGAARN	OCc1ccc(Sc2ccccc2)cc1	in-vitro
Clc1cc(-c2ccccc2)nc(Cl)n1	ZINC000001681184	70/88/47/342708847	VRNSMZDBMUSIFT-UHFFFAOYSA-N	0	225.078	BG	3.45	0	Anodyne	ref	BGAARN	Clc1cc(-c2ccccc2)nc(Cl)n1	 
O=C(OC[C@@H]1CC=CCC1)[C@@H]1CC=CCC1	ZINC000001681474	33/66/62/357336662	FJPFRSQDAFMEKD-CHWSQXEVSA-N	0	220.312	BG	3.242	0	Anodyne	ref	BGABRN	O=C(OC[C@@H]1CC=CCC1)[C@@H]1CC=CCC1	 
O=C(OC[C@H]1CC=CCC1)[C@H]1CC=CCC1	ZINC000001681475	33/63/70/357336370	FJPFRSQDAFMEKD-STQMWFEESA-N	0	220.312	BG	3.242	0	Anodyne	ref	BGABRN	O=C(OC[C@H]1CC=CCC1)[C@H]1CC=CCC1	 
CCOC(/C=C/c1ccccc1)OCC	ZINC000001684785	92/57/77/187925777	VYKDEWVAUWARRX-ZHACJKMWSA-N	0	206.285	BG	3.099	0	Anodyne	ref	BGAARN	CCOC(/C=C/c1ccccc1)OCC	 
CCOc1ccc(C(=O)c2ccccc2)cc1	ZINC000001692066	53/86/00/170538600	IBRIFDGHXDFGBY-UHFFFAOYSA-N	0	226.275	BG	3.316	0	Anodyne	ref	BGAARN	CCOc1ccc(C(=O)c2ccccc2)cc1	 
O=C(O)C(Cc1ccccc1)Cc1ccccc1	ZINC000001693352	92/27/61/383922761	RBLAOGBEJPHFHW-UHFFFAOYSA-N	-1	240.302	BG	3.173	0	Anodyne	ref	BGAARM	O=C([O-])C(Cc1ccccc1)Cc1ccccc1	in-vitro
CCCCCCI	ZINC000001699881	18/40/98/560184098	ANOOTOPTCJRUPK-UHFFFAOYSA-N	0	212.074	BG	3.002	0	Reactive	ref	BGGARN	CCCCCCI	in-vitro
FC(F)(F)c1cccc(Br)c1	ZINC000001699999	89/51/14/180895114	NNMBNYHMJRJUBC-UHFFFAOYSA-N	0	225.007	BG	3.468	0	Anodyne	ref	BGAARN	FC(F)(F)c1cccc(Br)c1	 
Cc1cc2ccc(Br)cc2[nH]1	ZINC000001705021	29/55/72/178295572	PTDPLQDPOIVTQW-UHFFFAOYSA-N	0	210.074	BG	3.239	0	Anodyne	ref	BGAARN	Cc1cc2ccc(Br)cc2[nH]1	 
COc1c(C)cc(Br)cc1C	ZINC000001716980	92/00/10/174920010	MMARFGDTMJBIBK-UHFFFAOYSA-N	0	215.09	BG	3.075	0	Anodyne	ref	BGAARN	COc1c(C)cc(Br)cc1C	 
Cc1c[nH]c2ccc(Br)cc12	ZINC000001723987	64/13/57/177641357	GDQXDVJFMLNXHX-UHFFFAOYSA-N	0	210.074	BG	3.239	0	Anodyne	ref	BGAARN	Cc1c[nH]c2ccc(Br)cc12	 
O=C(O)c1cc(Cl)c(Cl)cc1Cl	ZINC000001726278	71/14/22/342711422	PTFNNDHASFGWFI-UHFFFAOYSA-N	-1	225.458	BG	3.345	0	Anodyne	ref	BGAARM	O=C([O-])c1cc(Cl)c(Cl)cc1Cl