Cc1cccc(C)c1OC[C@@H](C)N	ZINC000000020257	92/40/15/342924015	VLPIATFUUWWMKC-SNVBAGLBSA-N	1	179.263	AE	2.029	0	Anodyne	ref	AEAARO	Cc1cccc(C)c1OC[C@@H](C)[NH3+]	fda
Cc1cc(C)c(C#N)c(=S)[nH]1	ZINC000000039678	92/44/66/342924466	CZRHEROEPICLRO-UHFFFAOYSA-N	0	164.233	AE	2.233	0	Mild	ref	AEEARN	Cc1cc(C)c(C#N)c(=S)[nH]1	 
Cc1ccc2cc(N)ccc2n1	ZINC000000052868	92/49/94/342924994	TYJFYUVDUUACKX-UHFFFAOYSA-N	0	158.204	AE	2.125	0	Anodyne	ref	AEAARN	Cc1ccc2cc(N)ccc2n1	in-vitro
CCc1nc2ccccc2[nH]1	ZINC000000055212	92/51/13/342925113	QHCCOYAKYCWDOJ-UHFFFAOYSA-N	1	146.193	AE	2.125	2	Anodyne	low	AEAALO	CCc1[nH]c2ccccc2[nH+]1	 
CCc1nc2ccccc2[nH]1	ZINC000000055212	92/51/12/342925112	QHCCOYAKYCWDOJ-UHFFFAOYSA-N	1	146.193	AE	2.125	0	Anodyne	ref	AEAARO	CCc1nc2ccccc2[nH]1	 
O=C(O)CCCc1ccccc1	ZINC000000056568	33/73/62/169337362	OBKXEAXTFZPCHS-UHFFFAOYSA-N	-1	164.204	AE	2.094	0	Anodyne	ref	AEAARM	O=C([O-])CCCc1ccccc1	fda endogenous
Cc1cccc(C)c1OC[C@H](C)N	ZINC000000057062	92/54/76/342925476	VLPIATFUUWWMKC-JTQLQIEISA-N	1	179.263	AE	2.029	0	Anodyne	ref	AEAARO	Cc1cccc(C)c1OC[C@H](C)[NH3+]	fda
Cc1[nH]c2ccc(C(=O)O)cc2c1C	ZINC000000065359	69/90/70/168699070	KHJGIMZYCBPOBG-UHFFFAOYSA-N	-1	189.214	AE	2.483	0	Anodyne	ref	AEAARM	Cc1[nH]c2ccc(C(=O)[O-])cc2c1C	 
N#CCc1nc2ccccc2s1	ZINC000000080476	10/66/67/169106667	ZMZSYUSDGRJZNT-UHFFFAOYSA-N	0	174.228	AE	2.362	0	Mild	ref	AEEARN	N#CCc1nc2ccccc2s1	 
CCOC(=O)c1c(N)sc(C)c1C	ZINC000000081475	36/75/99/167367599	JYSDXODDWAQWJR-UHFFFAOYSA-N	0	199.275	AE	2.124	0	Anodyne	ref	AEAARN	CCOC(=O)c1c(N)sc(C)c1C	 
Cc1cc(Cl)nc(Cl)c1N	ZINC000000081498	92/57/77/342925777	AULKGEJDEAKINM-UHFFFAOYSA-N	0	177.034	AE	2.279	0	Anodyne	ref	AEAARN	Cc1cc(Cl)nc(Cl)c1N	 
NNc1ccc(Cl)c(Cl)c1	ZINC000000085241	23/80/54/169238054	YMJSQPNVQRHZDW-UHFFFAOYSA-N	0	177.034	AE	2.279	0	Anodyne	ref	AEAARN	NNc1ccc(Cl)c(Cl)c1	 
Cc1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000000091591	85/36/45/168853645	DXDPHHQJZWWAEH-UHFFFAOYSA-N	0	188.186	AE	2.451	0	Bother	ref	AEBARN	Cc1ccc2cc([N+](=O)[O-])ccc2n1	 
Cc1ccc(C(=O)CCC(=O)O)cc1	ZINC000000098250	79/96/29/168799629	OEEUWZITKKSXAZ-UHFFFAOYSA-N	-1	192.214	AE	2.043	0	Anodyne	ref	AEAARM	Cc1ccc(C(=O)CCC(=O)[O-])cc1	 
CC(C)Oc1cccc(C=O)c1	ZINC000000106336	92/68/55/342926855	NOBKCEXLDDGYID-UHFFFAOYSA-N	0	164.204	AE	2.286	0	Anodyne	ref	AEAARN	CC(C)Oc1cccc(C=O)c1	 
N#Cc1c(N)sc2c1CCCC2	ZINC000000126979	92/73/52/342927352	ADHVMGAFAKSNOM-UHFFFAOYSA-N	0	178.26	AE	2.081	0	Mild	ref	AEEARN	N#Cc1c(N)sc2c1CCCC2	 
Nc1cccc2c1C(=O)c1ccccc1-2	ZINC000000134469	29/73/31/169297331	KSEPMOMKAQKOSM-UHFFFAOYSA-N	0	195.221	AE	2.48	0	Anodyne	ref	AEAARN	Nc1cccc2c1C(=O)c1ccccc1-2	 
COc1ccc2[nH]c(C)cc2c1	ZINC000000135257	99/16/69/170991669	VSWGLJOQFUMFOQ-UHFFFAOYSA-N	0	161.204	AE	2.485	0	Anodyne	ref	AEAARN	COc1ccc2[nH]c(C)cc2c1	in-vitro
COc1cc(Cl)c(C)cc1N	ZINC000000145438	23/40/67/168234067	XBAPOWUMJRIKAV-UHFFFAOYSA-N	0	171.627	AE	2.239	0	Anodyne	ref	AEAARN	COc1cc(Cl)c(C)cc1N	 
CCc1ccc(C=O)s1	ZINC000000152280	92/83/18/342928318	CLQXZICUPGZTPE-UHFFFAOYSA-N	0	140.207	AE	2.123	0	Anodyne	ref	AEAARN	CCc1ccc(C=O)s1	 
Nc1cc(Cl)cc(Cl)c1O	ZINC000000152735	28/60/28/169286028	WASQBNCGNUTVNI-UHFFFAOYSA-N	-1	178.018	AE	2.281	3	Anodyne	high	AEAAHM	Nc1cc(Cl)cc(Cl)c1[O-]	 
Nc1cc(Cl)cc(Cl)c1O	ZINC000000152735	28/60/26/169286026	WASQBNCGNUTVNI-UHFFFAOYSA-N	0	178.018	AE	2.281	0	Anodyne	ref	AEAARN	Nc1cc(Cl)cc(Cl)c1O	 
Nc1ccc(N2CCCCC2)cc1	ZINC000000152886	17/84/45/132178445	TVOSOIXYPHKEAR-UHFFFAOYSA-N	1	176.263	AE	2.259	1	Clean	mid	AECAMO	Nc1ccc([NH+]2CCCCC2)cc1	 
Nc1ccc(N2CCCCC2)cc1	ZINC000000152886	17/84/42/132178442	TVOSOIXYPHKEAR-UHFFFAOYSA-N	0	176.263	AE	2.259	0	Clean	ref	AECARN	Nc1ccc(N2CCCCC2)cc1	 
SCc1cccs1	ZINC000000153137	27/08/79/351270879	GCZQHDFWKVMZOE-UHFFFAOYSA-N	0	130.237	AE	2.178	0	Mild	ref	AEEARN	SCc1cccs1	in-man endogenous
COC(=O)c1ccc(C)c(Cl)c1	ZINC000000153308	12/99/60/168129960	KTFQDZCNPGFKAH-UHFFFAOYSA-N	0	184.622	AE	2.435	0	Anodyne	ref	AEAARN	COC(=O)c1ccc(C)c(Cl)c1	 
N#Cc1cc(Cl)nc(Cl)c1	ZINC000000154172	11/74/56/169117456	BTUKLHWINORBTN-UHFFFAOYSA-N	0	173.002	AE	2.26	0	Mild	ref	AEEARN	N#Cc1cc(Cl)nc(Cl)c1	 
N#Cc1c(F)c(F)cc(F)c1F	ZINC000000155260	92/89/68/342928968	IOQMWOBRUDNEOA-UHFFFAOYSA-N	0	175.084	AE	2.115	0	Mild	ref	AEEARN	N#Cc1c(F)c(F)cc(F)c1F	 
O=C(O)c1c(O)ccc2ccccc12	ZINC000000155999	35/58/07/169355807	UPHOPMSGKZNELG-UHFFFAOYSA-N	-1	188.182	AE	2.244	0	Anodyne	ref	AEAARM	O=C([O-])c1c(O)ccc2ccccc12	 
ON=C1C2CC3CC(C2)CC1C3	ZINC000000156568	27/17/44/351271744	RABVIFXMFZFITE-UHFFFAOYSA-N	0	165.236	AE	2.273	0	Mild	ref	AEEARN	ON=C1C2CC3CC(C2)CC1C3	 
Cc1nccn1Cc1ccccc1	ZINC000000156633	92/93/68/342929368	FBHPRUXJQNWTEW-UHFFFAOYSA-N	1	172.231	AE	2.24	1	Anodyne	mid	AEAAMO	Cc1[nH+]ccn1Cc1ccccc1	in-vivo
Cc1nccn1Cc1ccccc1	ZINC000000156633	92/93/67/342929367	FBHPRUXJQNWTEW-UHFFFAOYSA-N	0	172.231	AE	2.24	0	Anodyne	ref	AEAARN	Cc1nccn1Cc1ccccc1	in-vivo
N#Cc1ccc2[nH]ccc2c1	ZINC000000157017	99/21/06/170992106	YHYLDEVWYOFIJK-UHFFFAOYSA-N	0	142.161	AE	2.04	0	Mild	ref	AEEARN	N#Cc1ccc2[nH]ccc2c1	in-vitro
COc1ccc(Cl)cc1C#N	ZINC000000157124	25/30/55/168253055	LREABOKKLIVXNA-UHFFFAOYSA-N	0	167.595	AE	2.22	0	Mild	ref	AEEARN	COc1ccc(Cl)cc1C#N	 
CC(=O)Cc1ccccc1Cl	ZINC000000157126	24/98/20/166249820	LWGNDIMNCPMZOF-UHFFFAOYSA-N	0	168.623	AE	2.472	0	Anodyne	ref	AEAARN	CC(=O)Cc1ccccc1Cl	 
O=Cc1c[nH]c2ccc(F)cc12	ZINC000000157226	27/15/41/351271541	YUAJKGBLPVLADK-UHFFFAOYSA-N	0	163.151	AE	2.119	0	Anodyne	ref	AEAARN	O=Cc1c[nH]c2ccc(F)cc12	 
O=Cc1cccc(Cl)c1F	ZINC000000157233	92/94/20/342929420	YAOZCMANASAVFN-UHFFFAOYSA-N	0	158.559	AE	2.292	0	Anodyne	ref	AEAARN	O=Cc1cccc(Cl)c1F	 
NNc1cc(Cl)ccc1Cl	ZINC000000157321	23/73/46/169237346	LZKWWERBNXLGLI-UHFFFAOYSA-N	0	177.034	AE	2.279	0	Anodyne	ref	AEAARN	NNc1cc(Cl)ccc1Cl	in-vivo
NCc1ccc(Cl)cc1Cl	ZINC000000157574	22/21/43/169222143	SJUKJZSTBBSGHF-UHFFFAOYSA-N	0	176.046	AE	2.452	3	Anodyne	high	AEAAHN	NCc1ccc(Cl)cc1Cl	 
NCc1ccc(Cl)cc1Cl	ZINC000000157574	22/21/41/169222141	SJUKJZSTBBSGHF-UHFFFAOYSA-N	1	176.046	AE	2.452	0	Anodyne	ref	AEAARO	[NH3+]Cc1ccc(Cl)cc1Cl	 
Cc1ccc(Cl)cc1N	ZINC000000157612	92/93/44/342929344	WRZOMWDJOLIVQP-UHFFFAOYSA-N	0	141.601	AE	2.231	0	Anodyne	ref	AEAARN	Cc1ccc(Cl)cc1N	in-vitro
CCCc1c(O)ccc(C(C)=O)c1O	ZINC000000157838	10/01/80/167100180	QGGRBWUQXAFYEC-UHFFFAOYSA-N	-1	194.23	AE	2.253	3	Anodyne	high	AEAAHM	CCCc1c([O-])ccc(C(C)=O)c1O	 
CCCc1c(O)ccc(C(C)=O)c1O	ZINC000000157838	10/01/72/167100172	QGGRBWUQXAFYEC-UHFFFAOYSA-N	0	194.23	AE	2.253	0	Anodyne	ref	AEAARN	CCCc1c(O)ccc(C(C)=O)c1O	 
OC1CCC(C(F)(F)F)CC1	ZINC000000157896	27/15/72/351271572	VJUJYNJEPPWWHS-UHFFFAOYSA-N	0	168.158	AE	2.1	0	Anodyne	ref	AEAARN	OC1CCC(C(F)(F)F)CC1	 
Cc1ccc(Cl)cc1O	ZINC000000158233	92/93/95/342929395	KKFPXGXMSBBNJI-UHFFFAOYSA-N	0	142.585	AE	2.354	0	Anodyne	ref	AEAARN	Cc1ccc(Cl)cc1O	in-vitro
Cc1cc(C(=O)O)c(C(F)(F)F)o1	ZINC000000158508	92/97/62/342929762	NURNFMNHTHXTDS-UHFFFAOYSA-N	-1	194.108	AE	2.305	0	Anodyne	ref	AEAARM	Cc1cc(C(=O)[O-])c(C(F)(F)F)o1	 
O=Cc1nc2ccccc2s1	ZINC000000158622	27/15/62/351271562	RHKPJTFLRQNNGJ-UHFFFAOYSA-N	0	163.201	AE	2.109	0	Anodyne	ref	AEAARN	O=Cc1nc2ccccc2s1	 
O=C(O)c1cncc(-c2ccccc2)c1	ZINC000000159004	36/04/35/169360435	VKFXHYRIHRTEIV-UHFFFAOYSA-N	-1	199.209	AE	2.447	0	Anodyne	ref	AEAARM	O=C([O-])c1cncc(-c2ccccc2)c1	in-vitro
Brc1cnc2ccccn12	ZINC000000159031	00/98/96/166009896	APYSHMNJHJRIDR-UHFFFAOYSA-N	0	197.035	AE	2.097	0	Anodyne	ref	AEAARN	Brc1cnc2ccccn12	 
O=Cc1ccc(-n2cccc2)cc1	ZINC000000159034	27/26/84/351272684	VMNADOXDGZJTBJ-UHFFFAOYSA-N	0	171.199	AE	2.29	0	Anodyne	ref	AEAARN	O=Cc1ccc(-n2cccc2)cc1	 
OCc1cc(Br)cs1	ZINC000000159064	43/79/08/169437908	PXZNJHHUYJRFPZ-UHFFFAOYSA-N	0	193.065	AE	2.003	0	Anodyne	ref	AEAARN	OCc1cc(Br)cs1	 
CC(=O)Cc1ccc(Cl)cc1	ZINC000000159558	24/67/92/166246792	WEJRYKSUUFKMBC-UHFFFAOYSA-N	0	168.623	AE	2.472	0	Anodyne	ref	AEAARN	CC(=O)Cc1ccc(Cl)cc1	 
Clc1ncnc2ccsc12	ZINC000000159912	02/77/51/169027751	TWTODSLDHCDLDR-UHFFFAOYSA-N	0	170.624	AE	2.345	0	Anodyne	ref	AEAARN	Clc1ncnc2ccsc12	 
O[C@@H](CCCl)c1ccccc1	ZINC000000160291	17/74/99/560177499	JZFUHAGLMZWKTF-VIFPVBQESA-N	0	170.639	AE	2.349	0	Reactive	ref	AEGARN	O[C@@H](CCCl)c1ccccc1	in-vitro
NC(=O)c1cc(Cl)cc(Cl)c1	ZINC000000160559	99/29/41/170992941	DELNZTRPJTUOIP-UHFFFAOYSA-N	0	190.029	AE	2.092	0	Anodyne	ref	AEAARN	NC(=O)c1cc(Cl)cc(Cl)c1	 
CC(=O)c1ccc(Cl)c(N)c1	ZINC000000160824	32/49/83/166324983	CELXPDXOZXEXJX-UHFFFAOYSA-N	0	169.611	AE	2.125	0	Anodyne	ref	AEAARN	CC(=O)c1ccc(Cl)c(N)c1	 
COC(=O)c1ccc2ncccc2c1	ZINC000000161652	13/24/20/168132420	XSRWQTDEIOHXSL-UHFFFAOYSA-N	0	187.198	AE	2.021	0	Anodyne	ref	AEAARN	COC(=O)c1ccc2ncccc2c1	 
CC(C)(C)C(=O)Nc1ccncc1	ZINC000000161808	34/48/87/166344887	JCMMVFHXRDNILC-UHFFFAOYSA-N	0	178.235	AE	2.066	0	Anodyne	ref	AEAARN	CC(C)(C)C(=O)Nc1ccncc1	 
Clc1noc2ccccc12	ZINC000000161921	02/75/68/169027568	INWUFXPCLZRSBH-UHFFFAOYSA-N	0	153.568	AE	2.481	0	Anodyne	ref	AEAARN	Clc1noc2ccccc12	 
CC(=O)Cc1c[nH]c2ccccc12	ZINC000000161929	24/68/21/166246821	LDVHYJKRIKBISQ-UHFFFAOYSA-N	0	173.215	AE	2.299	0	Anodyne	ref	AEAARN	CC(=O)Cc1c[nH]c2ccccc12	in-vitro
CCOC(=O)c1ccc(F)c(F)c1	ZINC000000162662	37/14/30/167371430	NKIWNSXGZXESSM-UHFFFAOYSA-N	0	186.157	AE	2.141	0	Anodyne	ref	AEAARN	CCOC(=O)c1ccc(F)c(F)c1	 
CSc1ccc([N+](=O)[O-])cc1	ZINC000000163356	31/18/43/168311843	NEZGPRYOJVPJKL-UHFFFAOYSA-N	0	169.205	AE	2.317	0	Bother	ref	AEBARN	CSc1ccc([N+](=O)[O-])cc1	in-vitro
CC(=O)n1cc(C=O)c2ccccc21	ZINC000000163684	33/82/40/166338240	LCJLFGSKHBDOAY-UHFFFAOYSA-N	0	187.198	AE	2.114	0	Anodyne	ref	AEAARN	CC(=O)n1cc(C=O)c2ccccc21	in-vitro
Cc1cccc(Cl)c1O	ZINC000000164375	93/05/75/342930575	YPNZJHFXFVLXSE-UHFFFAOYSA-N	-1	142.585	AE	2.354	3	Anodyne	high	AEAAHM	Cc1cccc(Cl)c1[O-]	 
Cc1cccc(Cl)c1O	ZINC000000164375	93/05/73/342930573	YPNZJHFXFVLXSE-UHFFFAOYSA-N	0	142.585	AE	2.354	0	Anodyne	ref	AEAARN	Cc1cccc(Cl)c1O	 
COc1cccc(Br)c1	ZINC000000164414	26/84/69/168268469	PLDWAJLZAAHOGG-UHFFFAOYSA-N	0	187.036	AE	2.458	0	Anodyne	ref	AEAARN	COc1cccc(Br)c1	in-vitro
Nc1ccc(C(F)(F)F)cc1	ZINC000000164442	29/18/53/169291853	ODGIMMLDVSWADK-UHFFFAOYSA-N	0	161.126	AE	2.288	0	Anodyne	ref	AEAARN	Nc1ccc(C(F)(F)F)cc1	in-vitro
COc1ccccc1Br	ZINC000000164469	93/04/37/342930437	HTDQSWDEWGSAMN-UHFFFAOYSA-N	0	187.036	AE	2.458	0	Anodyne	ref	AEAARN	COc1ccccc1Br	 
N#Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000000164503	11/87/61/169118761	ZGILLTVEEBNDOB-UHFFFAOYSA-N	0	182.566	AE	2.12	0	Mild	ref	AEEARN	N#Cc1cc([N+](=O)[O-])ccc1Cl	 
O=C(O)/C=C/c1cc(F)cc(F)c1	ZINC000000165548	33/39/97/169333997	MBAWRXICVNIUGY-OWOJBTEDSA-N	-1	184.141	AE	2.063	0	Anodyne	ref	AEAARM	O=C([O-])/C=C/c1cc(F)cc(F)c1	 
NCc1cc(Cl)ccc1Cl	ZINC000000167027	22/04/23/169220423	AKGJLIXNRPNPCH-UHFFFAOYSA-N	0	176.046	AE	2.452	3	Anodyne	high	AEAAHN	NCc1cc(Cl)ccc1Cl	in-vitro
NCc1cc(Cl)ccc1Cl	ZINC000000167027	22/04/22/169220422	AKGJLIXNRPNPCH-UHFFFAOYSA-N	1	176.046	AE	2.452	0	Anodyne	ref	AEAARO	[NH3+]Cc1cc(Cl)ccc1Cl	in-vitro
CC(=O)c1ccc(OC(F)F)cc1	ZINC000000167178	32/53/92/166325392	GIGWRVLNOYPOIT-UHFFFAOYSA-N	0	186.157	AE	2.491	0	Anodyne	ref	AEAARN	CC(=O)c1ccc(OC(F)F)cc1	 
NOCc1cccc(C(F)(F)F)c1	ZINC000000167563	23/94/71/169239471	NXIOZALQLKJKPW-UHFFFAOYSA-N	0	191.152	AE	2.096	0	Anodyne	ref	AEAARN	NOCc1cccc(C(F)(F)F)c1	 
NOCc1ccccc1C(F)(F)F	ZINC000000167858	23/94/15/169239415	XFYYOFGQOQXXTP-UHFFFAOYSA-N	0	191.152	AE	2.096	0	Anodyne	ref	AEAARN	NOCc1ccccc1C(F)(F)F	 
NOCc1ccc(Cl)c(Cl)c1	ZINC000000169385	23/95/00/169239500	OVMBDDNTFJQHST-UHFFFAOYSA-N	0	192.045	AE	2.384	0	Anodyne	ref	AEAARN	NOCc1ccc(Cl)c(Cl)c1	 
NOCc1ccc(C(F)(F)F)cc1	ZINC000000170205	23/96/63/169239663	OSGYPUBYTWDYMZ-UHFFFAOYSA-N	0	191.152	AE	2.096	0	Anodyne	ref	AEAARN	NOCc1ccc(C(F)(F)F)cc1	 
Cc1ccc2c(N)cccc2n1	ZINC000000171344	93/12/76/342931276	UNSLQFMTPYHZDA-UHFFFAOYSA-N	1	158.204	AE	2.125	2	Anodyne	low	AEAALO	Cc1ccc2c(N)cccc2[nH+]1	 
Cc1ccc2c(N)cccc2n1	ZINC000000171344	93/12/74/342931274	UNSLQFMTPYHZDA-UHFFFAOYSA-N	0	158.204	AE	2.125	0	Anodyne	ref	AEAARN	Cc1ccc2c(N)cccc2n1	 
O=C(Nc1ccccc1)c1ccncc1	ZINC000000188331	33/26/02/169332602	FCTZHFATVFONMW-UHFFFAOYSA-N	0	198.225	AE	2.334	0	Anodyne	ref	AEAARN	O=C(Nc1ccccc1)c1ccncc1	 
CC(C)COC(=O)c1ccc(O)cc1	ZINC000000225900	27/43/99/351274399	XPJVKCRENWUEJH-UHFFFAOYSA-N	-1	194.23	AE	2.205	3	Anodyne	high	AEAAHM	CC(C)COC(=O)c1ccc([O-])cc1	in-vitro
CC(C)COC(=O)c1ccc(O)cc1	ZINC000000225900	27/43/92/351274392	XPJVKCRENWUEJH-UHFFFAOYSA-N	0	194.23	AE	2.205	0	Anodyne	ref	AEAARN	CC(C)COC(=O)c1ccc(O)cc1	in-vitro
Cc1[nH]c2ccccc2c1CC(=O)O	ZINC000000245044	69/84/61/168698461	QJNNHJVSQUUHHE-UHFFFAOYSA-N	-1	189.214	AE	2.103	0	Anodyne	ref	AEAARM	Cc1[nH]c2ccccc2c1CC(=O)[O-]	 
Cc1ccc2cccnc2c1[N+](=O)[O-]	ZINC000000245183	85/52/17/168855217	ZZDTVYJYMRSNQL-UHFFFAOYSA-N	0	188.186	AE	2.451	0	Bother	ref	AEBARN	Cc1ccc2cccnc2c1[N+](=O)[O-]	 
O=C(O)c1csc2c1CCCC2	ZINC000000245897	36/04/79/169360479	TUZZQEHPGHKGRJ-UHFFFAOYSA-N	-1	182.244	AE	2.325	0	Anodyne	ref	AEAARM	O=C([O-])c1csc2c1CCCC2	 
O=C(c1ccccc1)c1ccncc1	ZINC000000247037	36/37/39/169363739	SKFLCXNDKRUHTA-UHFFFAOYSA-N	0	183.21	AE	2.313	0	Anodyne	ref	AEAARN	O=C(c1ccccc1)c1ccncc1	 
Clc1ccc(N2CCCCC2)nn1	ZINC000000250118	17/82/70/132178270	LCZPIRFDMBEGAZ-UHFFFAOYSA-N	0	197.669	AE	2.12	0	Anodyne	ref	AEAARN	Clc1ccc(N2CCCCC2)nn1	 
O=[N+]([O-])/C=C/c1c[nH]c2ccccc12	ZINC000000254599	93/23/46/342932346	IPASVEYYTNTJTM-AATRIKPKSA-N	0	188.186	AE	2.415	0	Bother	ref	AEBARN	O=[N+]([O-])/C=C/c1c[nH]c2ccccc12	 
O[C@@H]1CNc2c(ccc3ccccc23)C1	ZINC000000266663	27/45/78/351274578	WKJMQLMWPMZUQH-NSHDSACASA-N	0	199.253	AE	2.169	0	Anodyne	ref	AEAARN	O[C@@H]1CNc2c(ccc3ccccc23)C1	 
O[C@H]1CNc2c(ccc3ccccc23)C1	ZINC000000266664	45/46/42/169454642	WKJMQLMWPMZUQH-LLVKDONJSA-N	0	199.253	AE	2.169	0	Anodyne	ref	AEAARN	O[C@H]1CNc2c(ccc3ccccc23)C1	 
Cc1nc2cc(N)ccc2s1	ZINC000000294934	95/71/74/168957174	GPWQHYMVUZYWIK-UHFFFAOYSA-N	0	164.233	AE	2.187	0	Anodyne	ref	AEAARN	Cc1nc2cc(N)ccc2s1	 
O=C(O)c1coc2ccccc12	ZINC000000320864	36/04/37/169360437	BENJFDPHDCGUAQ-UHFFFAOYSA-N	-1	162.144	AE	2.131	0	Anodyne	ref	AEAARM	O=C([O-])c1coc2ccccc12	 
Cc1cc(Cl)cc(C)n1	ZINC000000331917	75/91/81/168759181	SXCXPXVEOPFPOH-UHFFFAOYSA-N	0	141.601	AE	2.352	0	Anodyne	ref	AEAARN	Cc1cc(Cl)cc(C)n1	 
O=[N+]([O-])c1ccc2cccnc2c1	ZINC000000332644	93/35/25/342933525	MXKZSCXYMSXOAO-UHFFFAOYSA-N	0	174.159	AE	2.143	0	Bother	ref	AEBARN	O=[N+]([O-])c1ccc2cccnc2c1	 
c1ccc(-c2ncc[nH]2)cc1	ZINC000000333848	27/54/43/351275443	ZCUJYXPAKHMBAZ-UHFFFAOYSA-N	1	144.177	AE	2.077	2	Anodyne	low	AEAALO	c1ccc(-c2[nH]cc[nH+]2)cc1	in-vitro
c1ccc(-c2ncc[nH]2)cc1	ZINC000000333848	27/54/41/351275441	ZCUJYXPAKHMBAZ-UHFFFAOYSA-N	0	144.177	AE	2.077	0	Anodyne	ref	AEAARN	c1ccc(-c2ncc[nH]2)cc1	in-vitro
CCc1ccc(C(=O)O)s1	ZINC000000334224	73/24/22/167732422	ZVBNGIDVTPTFCL-UHFFFAOYSA-N	-1	156.206	AE	2.009	0	Anodyne	ref	AEAARM	CCc1ccc(C(=O)[O-])s1	 
Cc1cc(C(=O)O)c(C)s1	ZINC000000335269	93/39/50/342933950	XBLLEMNSMZZDRB-UHFFFAOYSA-N	-1	156.206	AE	2.063	0	Anodyne	ref	AEAARM	Cc1cc(C(=O)[O-])c(C)s1	 
CCOC(=O)c1c[nH]c2ccccc12	ZINC000000335842	36/92/09/167369209	XOUHVMVYFOXTMN-UHFFFAOYSA-N	0	189.214	AE	2.345	0	Anodyne	ref	AEAARN	CCOC(=O)c1c[nH]c2ccccc12	 
Nc1ccc2ccc(N)cc2c1	ZINC000000337296	29/43/80/169294380	HBJPJUGOYJOSLR-UHFFFAOYSA-N	0	158.204	AE	2.004	0	Anodyne	ref	AEAARN	Nc1ccc2ccc(N)cc2c1