Nc1ccccc1Nc1ccccc1	ZINC000000058285	29/87/78/169298778	NFCPRRWCTNLGSN-UHFFFAOYSA-N	0	184.242	AG	3.012	0	Anodyne	ref	AGAARN	Nc1ccccc1Nc1ccccc1	 
Clc1cnc(Cl)c(Cl)c1	ZINC000000084933	02/65/35/169026535	CNLIIAKAAMFCJG-UHFFFAOYSA-N	0	182.437	AG	3.042	0	Anodyne	ref	AGAARN	Clc1cnc(Cl)c(Cl)c1	 
CC(=O)c1ccc(Cl)c(Cl)c1	ZINC000000152801	32/60/40/166326040	WBPAOUHWPONFEQ-UHFFFAOYSA-N	0	189.041	AG	3.196	0	Anodyne	ref	AGAARN	CC(=O)c1ccc(Cl)c(Cl)c1	in-vitro
O=C(O)c1ccccc1-c1ccccc1	ZINC000000155990	92/89/66/342928966	ILYSAKHOYBPSPC-UHFFFAOYSA-N	-1	198.221	AG	3.052	0	Anodyne	ref	AGAARM	O=C([O-])c1ccccc1-c1ccccc1	 
Fc1ccc(Cl)cc1Cl	ZINC000000157878	08/29/93/169082993	BDJZCCWUSOZUQG-UHFFFAOYSA-N	0	164.994	AG	3.133	0	Anodyne	ref	AGAARN	Fc1ccc(Cl)cc1Cl	 
Clc1cc(Cl)nc(Cl)c1	ZINC000000158339	02/13/19/169021319	FJNNGKMAGDPVIU-UHFFFAOYSA-N	0	182.437	AG	3.042	0	Anodyne	ref	AGAARN	Clc1cc(Cl)nc(Cl)c1	 
Brc1ccc2occc2c1	ZINC000000158636	01/06/98/166010698	AYOVPQORFBWFNO-UHFFFAOYSA-N	0	197.031	AG	3.195	0	Anodyne	ref	AGAARN	Brc1ccc2occc2c1	 
Cc1ccc2ccccc2c1[N+](=O)[O-]	ZINC000000160684	85/48/76/168854876	IZNWACYOILBFEG-UHFFFAOYSA-N	0	187.198	AG	3.056	0	Bother	ref	AGBARN	Cc1ccc2ccccc2c1[N+](=O)[O-]	 
N#CCc1ccc(Cl)c(Cl)c1	ZINC000000164770	10/43/87/169104387	QWZNCAFWRZZJMA-UHFFFAOYSA-N	0	186.041	AG	3.059	0	Mild	ref	AGEARN	N#CCc1ccc(Cl)c(Cl)c1	 
Sc1ccc(Cl)cc1Cl	ZINC000000167078	99/29/26/170992926	FGBVJFREPSJSNG-UHFFFAOYSA-N	-1	179.071	AG	3.282	0	Anodyne	ref	AGAARM	[S-]c1ccc(Cl)cc1Cl	 
c1cc(-c2ccsc2)cs1	ZINC000000334271	20/37/48/518203748	IAAQEGBHNXAHBF-UHFFFAOYSA-N	0	166.27	AG	3.477	0	Anodyne	ref	AGAARN	c1cc(-c2ccsc2)cs1	 
N#CC1(c2ccc(Cl)cc2)CCC1	ZINC000000388379	93/55/14/342935514	XQONXPWVIZZJIL-UHFFFAOYSA-N	0	191.661	AG	3.285	0	Mild	ref	AGEARN	N#CC1(c2ccc(Cl)cc2)CCC1	in-vitro
Clc1cncc(Cl)c1Cl	ZINC000000403158	02/64/27/169026427	KKWRVUBDCJQHBZ-UHFFFAOYSA-N	0	182.437	AG	3.042	0	Anodyne	ref	AGAARN	Clc1cncc(Cl)c1Cl	 
Clc1ccc(Br)cc1	ZINC000000404309	93/87/23/342938723	NHDODQWIKUYWMW-UHFFFAOYSA-N	0	191.455	AG	3.103	0	Anodyne	ref	AGAARN	Clc1ccc(Br)cc1	 
Cc1cc(Cl)ccc1Cl	ZINC000000404354	93/85/42/342938542	KFAKZJUYBOYVKA-UHFFFAOYSA-N	0	161.031	AG	3.302	0	Anodyne	ref	AGAARN	Cc1cc(Cl)ccc1Cl	in-vitro
c1ccc2c(c1)Cc1ccccc1O2	ZINC000000967535	28/34/78/351283478	GJCOSYZMQJWQCA-UHFFFAOYSA-N	0	182.222	AG	3.383	0	Anodyne	ref	AGAARN	c1ccc2c(c1)Cc1ccccc1O2	in-vitro
Cc1ccc(C(C)C)cc1	ZINC000000968246	94/28/67/342942867	HFPZCAJZSCWRBC-UHFFFAOYSA-N	0	134.222	AG	3.118	0	Anodyne	ref	AGAARN	Cc1ccc(C(C)C)cc1	in-man metabolite
O=C1CCCc2ccc3ccccc3c21	ZINC000001037160	37/30/81/169373081	HQVRULPLURPAJY-UHFFFAOYSA-N	0	196.249	AG	3.359	0	Anodyne	ref	AGAARN	O=C1CCCc2ccc3ccccc3c21	in-vitro
Cc1cc(C)c(Br)c(C)c1	ZINC000001081252	94/35/00/342943500	RRTLQRYOJOSPEA-UHFFFAOYSA-N	0	199.091	AG	3.374	0	Anodyne	ref	AGAARN	Cc1cc(C)c(Br)c(C)c1	 
CC[N+](CC)(CC)Cc1ccccc1	ZINC000001496993	71/33/17/167713317	VBQDSLGFSUGBBE-UHFFFAOYSA-N	1	192.326	AG	3.063	0	Bother	ref	AGBARO	CC[N+](CC)(CC)Cc1ccccc1	in-vitro
CCCCCCc1ccc(O)cc1O	ZINC000001576892	85/86/33/166858633	WFJIVOKAWHGMBH-UHFFFAOYSA-N	0	194.274	AG	3.221	0	Anodyne	ref	AGAARN	CCCCCCc1ccc(O)cc1O	in-man endogenous
Cc1ccc(C)c(Br)c1	ZINC000001586375	94/96/11/342949611	QXISTPDUYKNPLU-UHFFFAOYSA-N	0	185.064	AG	3.066	0	Anodyne	ref	AGAARN	Cc1ccc(C)c(Br)c1	 
Cc1cc(C)c(O)c(C(C)(C)C)c1	ZINC000001586423	94/94/69/342949469	OPLCSTZDXXUYDU-UHFFFAOYSA-N	0	178.275	AG	3.307	0	Anodyne	ref	AGAARN	Cc1cc(C)c(O)c(C(C)(C)C)c1	 
Cc1ccc2ccccc2c1	ZINC000001666853	95/55/60/342955560	QIMMUPPBPVKWKM-UHFFFAOYSA-N	0	142.201	AG	3.148	0	Anodyne	ref	AGAARN	Cc1ccc2ccccc2c1	in-vitro
Cc1ccc(Br)cc1C	ZINC000001690022	00/08/57/171000857	QOGHRLGTXVMRLM-UHFFFAOYSA-N	0	185.064	AG	3.066	0	Anodyne	ref	AGAARN	Cc1ccc(Br)cc1C	 
Clc1cccc2ccccc12	ZINC000001693310	02/56/69/169025669	JTPNRXUCIXHOKM-UHFFFAOYSA-N	0	162.619	AG	3.493	0	Anodyne	ref	AGAARN	Clc1cccc2ccccc12	in-vitro
CC(=O)c1cc(Cl)ccc1Cl	ZINC000001693393	32/04/01/166320401	CYNFEPKQDJHIMV-UHFFFAOYSA-N	0	189.041	AG	3.196	0	Anodyne	ref	AGAARN	CC(=O)c1cc(Cl)ccc1Cl	 
c1ccc2c([C@H]3CCCN3)cccc2c1	ZINC000001695092	29/51/04/351295104	FEJHFYHZVJWOOE-CQSZACIVSA-N	1	197.281	AG	3.264	0	Anodyne	ref	AGAARO	c1ccc2c([C@H]3CCC[NH2+]3)cccc2c1	 
CC[C@H](C)CC(C)C	ZINC000001699552	96/04/15/342960415	HDGQICNBXPAKLR-QMMMGPOBSA-N	0	114.232	AG	3.079	0	Anodyne	ref	AGAARN	CC[C@H](C)CC(C)C	 
FC(F)(F)c1ccc(Cl)cc1	ZINC000001706164	07/24/76/169072476	QULYNCCPRWKEMF-UHFFFAOYSA-N	0	180.556	AG	3.359	0	Anodyne	ref	AGAARN	FC(F)(F)c1ccc(Cl)cc1	in-vitro
Cc1cccc(Br)c1C	ZINC000001707943	96/10/32/342961032	WLPXNBYWDDYJTN-UHFFFAOYSA-N	0	185.064	AG	3.066	0	Anodyne	ref	AGAARN	Cc1cccc(Br)c1C	 
C=Cc1ccc2ccccc2c1	ZINC000001725142	22/33/99/166223399	KXYAVSFOJVUIHT-UHFFFAOYSA-N	0	154.212	AG	3.483	0	Anodyne	ref	AGAARN	C=Cc1ccc2ccccc2c1	in-vitro
O=C(O)c1cccc(-c2ccccc2)c1	ZINC000001729991	00/22/81/171002281	XNLWJFYYOIRPIO-UHFFFAOYSA-N	-1	198.221	AG	3.052	0	Anodyne	ref	AGAARM	O=C([O-])c1cccc(-c2ccccc2)c1	 
c1ccc2c(c1)ccc1cccnc12	ZINC000001733810	29/87/08/351298708	WZJYKHNJTSNBHV-UHFFFAOYSA-N	0	179.222	AG	3.388	0	Bother	ref	AGBARN	c1ccc2c(c1)ccc1cccnc12	 
CC1=C(C)C(C)C(C)=C1C	ZINC000001756689	96/38/18/342963818	WQIQNKQYEUMPBM-UHFFFAOYSA-N	0	136.238	AG	3.309	0	Anodyne	ref	AGAARN	CC1=C(C)C(C)C(C)=C1C	 
C(=N/c1ccccc1)\Nc1ccccc1	ZINC000001866990	04/70/59/166047059	ZQUVDXMUKIVNOW-UHFFFAOYSA-N	0	196.253	AG	3.459	1	Mild	mid	AGEAMN	C(=N/c1ccccc1)\Nc1ccccc1	 
C(=N/c1ccccc1)\Nc1ccccc1	ZINC000001866990	04/70/58/166047058	ZQUVDXMUKIVNOW-UHFFFAOYSA-N	1	196.253	AG	3.459	0	Mild	ref	AGEARO	C(\Nc1ccccc1)=[NH+]/c1ccccc1	 
Clc1ccc(Cl)c(Cl)n1	ZINC000002033905	02/28/88/169022888	GPAKJVMKNDXBHH-UHFFFAOYSA-N	0	182.437	AG	3.042	0	Anodyne	ref	AGAARN	Clc1ccc(Cl)c(Cl)n1	 
CCc1ccccc1Br	ZINC000002039057	96/85/90/342968590	HVRUGFJYCAFAAN-UHFFFAOYSA-N	0	185.064	AG	3.012	0	Anodyne	ref	AGAARN	CCc1ccccc1Br	 
c1ccc2c([C@@H]3CCCN3)cccc2c1	ZINC000002042071	30/34/17/351303417	FEJHFYHZVJWOOE-AWEZNQCLSA-N	1	197.281	AG	3.264	0	Anodyne	ref	AGAARO	c1ccc2c([C@@H]3CCC[NH2+]3)cccc2c1	 
Oc1ccc2c(c1)[nH]c1ccccc12	ZINC000002132858	30/38/53/351303853	GWPGDZPXOZATKL-UHFFFAOYSA-N	0	183.21	AG	3.027	0	Anodyne	ref	AGAARN	Oc1ccc2c(c1)[nH]c1ccccc12	 
CCc1cccc(Br)c1	ZINC000002530963	97/49/40/342974940	ZRFJYAZQMFCUIX-UHFFFAOYSA-N	0	185.064	AG	3.012	0	Anodyne	ref	AGAARN	CCc1cccc(Br)c1	 
FC(F)(F)c1ccc2cc[nH]c2c1	ZINC000002564310	07/26/63/169072663	BPYBYPREOVLFED-UHFFFAOYSA-N	0	185.148	AG	3.187	0	Anodyne	ref	AGAARN	FC(F)(F)c1ccc2cc[nH]c2c1	 
CC(=O)/C=C/c1c(C)cc(C)cc1C	ZINC000003080738	04/47/31/171044731	LWXBQPWVAVMPDK-AATRIKPKSA-N	0	188.27	AG	3.214	0	Mild	ref	AGEARN	CC(=O)/C=C/c1c(C)cc(C)cc1C	 
Clc1ccc2oc(Cl)nc2c1	ZINC000014988042	02/45/49/169024549	JOXBFDPBVQGJOJ-UHFFFAOYSA-N	0	188.013	AG	3.135	0	Anodyne	ref	AGAARN	Clc1ccc2oc(Cl)nc2c1	 
Cc1cc(Cl)nc(C(F)(F)F)c1	ZINC000020443884	76/11/89/168761189	KAYVWTDOIYYSDL-UHFFFAOYSA-N	0	195.571	AG	3.062	0	Anodyne	ref	AGAARN	Cc1cc(Cl)nc(C(F)(F)F)c1	 
O=Cc1ccc2cc(Cl)ccc2c1	ZINC000021984110	40/90/69/351409069	LTAQGUGNWJBFTN-UHFFFAOYSA-N	0	190.629	AG	3.306	0	Anodyne	ref	AGABRN	O=Cc1ccc2cc(Cl)ccc2c1	 
CCCCC(=O)c1ccccc1C	ZINC000021994182	07/72/66/343077266	BCMBDNBMSRGBHF-UHFFFAOYSA-N	0	176.259	AG	3.368	0	Anodyne	ref	AGABRN	CCCCC(=O)c1ccccc1C	 
CC1=Nc2cccc3cccc1c23	ZINC000022005425	07/77/42/343077742	JNLAQIIRQDATHG-UHFFFAOYSA-N	0	167.211	AG	3.294	0	Anodyne	ref	AGABRN	CC1=Nc2cccc3cccc1c23	 
CC1=Cc2c(Cl)cccc2C1	ZINC000066312905	40/95/62/343409562	QWJRBTRSAZACSX-UHFFFAOYSA-N	0	164.635	AG	3.299	0	Anodyne	ref	AGABRN	CC1=Cc2c(Cl)cccc2C1	 
CC1=Cc2c(C)ccc(C)c2C1	ZINC000071241983	55/12/03/343551203	QUQWJMKRXAQCQH-UHFFFAOYSA-N	0	158.244	AG	3.263	0	Anodyne	ref	AGABRN	CC1=Cc2c(C)ccc(C)c2C1	 
CC1=Cc2c(C)cc(C)cc2C1	ZINC000071241988	55/14/23/343551423	OSNBXQPGMJVNOI-UHFFFAOYSA-N	0	158.244	AG	3.263	0	Anodyne	ref	AGABRN	CC1=Cc2c(C)cc(C)cc2C1	 
CC[C@@H](C)CC(C)C	ZINC000071251219	45/10/77/167451077	HDGQICNBXPAKLR-MRVPVSSYSA-N	0	114.232	AG	3.079	0	Anodyne	ref	AGAARN	CC[C@@H](C)CC(C)C