COc1cc(/C=C/C(C)=O)ccc1O	ZINC000000008046	22/78/70/168227870	AFWKBSMFXWNGRE-ONEGZZNKSA-N	0	192.214	AE	2.003	0	Mild	ref	AEEARN	COc1cc(/C=C/C(C)=O)ccc1O	biogenic in-vivo
Nc1ccc(Br)cc1	ZINC000000013614	29/03/00/169290300	WDFQBORIUYODSI-UHFFFAOYSA-N	0	172.025	AE	2.031	0	Anodyne	ref	AEAARN	Nc1ccc(Br)cc1	 
c1ccc2scnc2c1	ZINC000000019726	26/81/87/351268187	IOJUPLGTWVMSFF-UHFFFAOYSA-N	0	135.191	AE	2.296	0	Anodyne	ref	AEAARN	c1ccc2scnc2c1	in-man endogenous
COC(=O)c1ccc2ccccc2n1	ZINC000000031320	13/24/25/168132425	CILJSZLWPHTUIP-UHFFFAOYSA-N	0	187.198	AE	2.021	0	Anodyne	ref	AEAARN	COC(=O)c1ccc2ccccc2n1	 
Cc1cc(=O)oc2c(C)c(O)ccc12	ZINC000000033985	92/44/75/342924475	MVMMGVPSTRNMSV-UHFFFAOYSA-N	-1	190.198	AE	2.115	3	Anodyne	high	AEAAHM	Cc1cc(=O)oc2c(C)c([O-])ccc12	in-vitro biogenic
Cc1cc(=O)oc2c(C)c(O)ccc12	ZINC000000033985	92/44/71/342924471	MVMMGVPSTRNMSV-UHFFFAOYSA-N	0	190.198	AE	2.115	0	Anodyne	ref	AEAARN	Cc1cc(=O)oc2c(C)c(O)ccc12	in-vitro biogenic
Nc1ccccc1N1CCCCC1	ZINC000000037777	17/77/49/132177749	OYECAJPUPWFCSL-UHFFFAOYSA-N	0	176.263	AE	2.259	0	Anodyne	ref	AEAARN	Nc1ccccc1N1CCCCC1	 
O=Cc1ccc(Br)cc1	ZINC000000039555	99/05/40/170990540	ZRYZBQLXDKPBDU-UHFFFAOYSA-N	0	185.02	AE	2.262	0	Anodyne	ref	AEAARN	O=Cc1ccc(Br)cc1	 
Cc1cc(O)c(C(C)C)cc1N	ZINC000000052617	77/34/44/168773444	RGRUKJFIPJHWNL-UHFFFAOYSA-N	0	165.236	AE	2.406	0	Anodyne	ref	AEAARN	Cc1cc(O)c(C(C)C)cc1N	 
Cc1cc(C)c(C#N)c(Cl)n1	ZINC000000053864	92/51/00/342925100	RETJKTAVEQPNMH-UHFFFAOYSA-N	0	166.611	AE	2.224	0	Mild	ref	AEEARN	Cc1cc(C)c(C#N)c(Cl)n1	 
Cc1cc(Br)ccc1O	ZINC000000054688	92/48/89/342924889	IWJGMJHAIUBWKT-UHFFFAOYSA-N	0	187.036	AE	2.463	0	Anodyne	ref	AEAARN	Cc1cc(Br)ccc1O	 
Cc1ccc2c(c1)SCC(=O)N2	ZINC000000058275	85/01/77/168850177	ODJQMWDFNLNCTM-UHFFFAOYSA-N	0	179.244	AE	2.039	0	Anodyne	ref	AEAARN	Cc1ccc2c(c1)SCC(=O)N2	in-vitro
Cc1cc(C(=O)O)c2ccccc2n1	ZINC000000062063	92/55/94/342925594	UIDHNPTVQFNWOJ-UHFFFAOYSA-N	-1	187.198	AE	2.241	0	Anodyne	ref	AEAARM	Cc1cc(C(=O)[O-])c2ccccc2n1	 
Clc1ncccc1Br	ZINC000000065256	02/78/85/169027885	HDYNIWBNWMFBDO-UHFFFAOYSA-N	0	192.443	AE	2.498	0	Anodyne	ref	AEAARN	Clc1ncccc1Br	 
Nc1ccc(Cc2ccncc2)cc1	ZINC000000067652	99/09/09/170990909	WZXYYQHVDJMIFF-UHFFFAOYSA-N	0	184.242	AE	2.255	0	Clean	ref	AECARN	Nc1ccc(Cc2ccncc2)cc1	 
Cc1cc(C)c(C(=O)O)c(Cl)n1	ZINC000000070783	92/59/61/342925961	CXNWZXGXVPYAST-UHFFFAOYSA-N	-1	185.61	AE	2.05	0	Anodyne	ref	AEAARM	Cc1cc(C)c(C(=O)[O-])c(Cl)n1	 
Cc1ccnc2c([N+](=O)[O-])cccc12	ZINC000000080357	92/58/40/342925840	ZNGIJEBXIREQLE-UHFFFAOYSA-N	0	188.186	AE	2.451	0	Bother	ref	AEBARN	Cc1ccnc2c([N+](=O)[O-])cccc12	 
O=C(O)/C=C/c1ccc(Cl)cc1	ZINC000000080865	33/43/37/169334337	GXLIFJYFGMHYDY-ZZXKWVIFSA-N	-1	182.606	AE	2.438	0	Anodyne	ref	AEAARM	O=C([O-])/C=C/c1ccc(Cl)cc1	in-vitro biogenic
CSc1nc2ccccc2[nH]1	ZINC000000081371	31/38/83/168313883	OCKJFOHZLXIAAT-UHFFFAOYSA-N	0	164.233	AE	2.285	0	Anodyne	ref	AEAARN	CSc1nc2ccccc2[nH]1	 
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	 
CCOC(=O)c1cc2ccccc2[nH]1	ZINC000000083820	36/79/67/167367967	QQXQAEWRSVZPJM-UHFFFAOYSA-N	0	189.214	AE	2.345	0	Anodyne	ref	AEAARN	CCOC(=O)c1cc2ccccc2[nH]1	 
CC(=O)Nc1ccc(C)c(C)c1	ZINC000000090475	28/41/37/166284137	UAOIEEWQVAXCFY-UHFFFAOYSA-N	0	163.22	AE	2.262	0	Anodyne	ref	AEAARN	CC(=O)Nc1ccc(C)c(C)c1	 
O=[N+]([O-])c1cccc2cnccc12	ZINC000000093213	26/95/69/351269569	PYGMPFQCCWBTJQ-UHFFFAOYSA-N	0	174.159	AE	2.143	0	Bother	ref	AEBARN	O=[N+]([O-])c1cccc2cnccc12	in-vitro
Cc1ccc(C(=O)O)cc1C	ZINC000000098166	92/67/83/342926783	OPVAJFQBSDUNQA-UHFFFAOYSA-N	-1	150.177	AE	2.002	0	Anodyne	ref	AEAARM	Cc1ccc(C(=O)[O-])cc1C	in-man endogenous
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	 
Cc1c(C(=O)O)oc2ccccc12	ZINC000000107768	92/67/16/342926716	YMZTUCZCQMQFMK-UHFFFAOYSA-N	-1	176.171	AE	2.439	0	Anodyne	ref	AEAARM	Cc1c(C(=O)[O-])oc2ccccc12	 
CC(=O)c1cc2sccc2[nH]1	ZINC000000108049	32/10/63/166321063	WLDJWDMZKFKABJ-UHFFFAOYSA-N	0	165.217	AE	2.432	0	Anodyne	ref	AEAARN	CC(=O)c1cc2sccc2[nH]1	 
Cn1c(O)nc2cccc3cccc1c32	ZINC000000111725	03/44/27/169034427	SMWDBXBOXHLGSR-UHFFFAOYSA-N	0	198.225	AE	2.432	0	Anodyne	ref	AEAARN	Cn1c(=O)[nH]c2cccc3cccc1c32	 
N#Cc1nccc2ccccc12	ZINC000000112431	92/69/03/342926903	HJHXYSBRTVFEDD-UHFFFAOYSA-N	0	154.172	AE	2.106	0	Mild	ref	AEEARN	N#Cc1nccc2ccccc12	 
Nc1ccc2c(c1)-c1ccccc1C2=O	ZINC000000119800	99/16/00/170991600	POZGQVDLSXSKHX-UHFFFAOYSA-N	0	195.221	AE	2.48	0	Anodyne	ref	AEAARN	Nc1ccc2c(c1)-c1ccccc1C2=O	 
CC1(C)Oc2ccc([N+](=O)[O-])cc2O1	ZINC000000122555	92/72/18/342927218	XCEHELWIDYNWCU-UHFFFAOYSA-N	0	195.174	AE	2.102	0	Bother	ref	AEBARN	CC1(C)Oc2ccc([N+](=O)[O-])cc2O1	 
CC[n+]1csc2ccccc21	ZINC000000124091	99/14/88/170991488	QGSALMLCNHOVOE-UHFFFAOYSA-N	1	164.253	AE	2.209	0	Anodyne	ref	AEAARO	CC[n+]1csc2ccccc21	 
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	 
CCc1ccccc1NC(C)=O	ZINC000000128891	92/77/60/342927760	ZXOVAGUQXNXKHF-UHFFFAOYSA-N	0	163.22	AE	2.207	0	Anodyne	ref	AEAARN	CCc1ccccc1NC(C)=O	 
O=C(O)CCc1ccc(Cl)cc1	ZINC000000129056	33/90/34/169339034	BBSLOKZINKEUCR-UHFFFAOYSA-N	-1	184.622	AE	2.357	0	Anodyne	ref	AEAARM	O=C([O-])CCc1ccc(Cl)cc1	in-vitro
O=C(O)CCCC(=O)c1ccccc1	ZINC000000132802	33/71/91/169337191	SHKWSBAVRQZYLE-UHFFFAOYSA-N	-1	192.214	AE	2.124	0	Anodyne	ref	AEAARM	O=C([O-])CCCC(=O)c1ccccc1	 
C=CCc1ccc(NC(C)=O)cc1O	ZINC000000133124	20/73/06/166207306	XJDVQINZIPMWNF-UHFFFAOYSA-N	0	191.23	AE	2.079	0	Mild	ref	AEEARN	C=CCc1ccc(NC(C)=O)cc1O	 
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	 
c1cc(Nc2ccncc2)ccn1	ZINC000000135825	27/06/40/351270640	KDWIKPVYQSPYIX-UHFFFAOYSA-N	0	171.203	AE	2.22	3	Anodyne	high	AEAAHN	c1cc(Nc2ccncc2)ccn1	 
c1cc(Nc2ccncc2)ccn1	ZINC000000135825	27/06/35/351270635	KDWIKPVYQSPYIX-UHFFFAOYSA-N	0	171.203	AE	2.22	0	Anodyne	ref	AEAARN	c1cc(Nc2cc[nH+]cc2)cc[nH+]1	 
c1cc(-c2ccsc2)n[nH]1	ZINC000000141706	47/00/15/169470015	UOAGMESLUAMTIP-UHFFFAOYSA-N	0	150.206	AE	2.138	0	Anodyne	ref	AEAARN	c1cc(-c2ccsc2)n[nH]1	 
C[C@H]1CCc2c(sc(N)c2C#N)C1	ZINC000000143543	62/63/86/168626386	VDMBPDMXBJUYMB-LURJTMIESA-N	0	192.287	AE	2.327	0	Mild	ref	AEEARN	C[C@H]1CCc2c(sc(N)c2C#N)C1	 
C[C@@H]1CCc2c(sc(N)c2C#N)C1	ZINC000000143545	44/45/83/168444583	VDMBPDMXBJUYMB-ZCFIWIBFSA-N	0	192.287	AE	2.327	0	Mild	ref	AEEARN	C[C@@H]1CCc2c(sc(N)c2C#N)C1	 
Cc1ccc(/C=C/C(=O)O)cc1	ZINC000000145556	92/81/53/342928153	RURHILYUWQEGOS-VOTSOKGWSA-N	-1	162.188	AE	2.093	0	Anodyne	ref	AEAARM	Cc1ccc(/C=C/C(=O)[O-])cc1	 
O=C(O)/C=C/c1cccc(Cl)c1	ZINC000000151413	33/41/21/169334121	FFKGOJWPSXRALK-SNAWJCMRSA-N	-1	182.606	AE	2.438	0	Anodyne	ref	AEAARM	O=C([O-])/C=C/c1cccc(Cl)c1	in-vitro biogenic
Cc1cccnc1Br	ZINC000000152336	92/82/68/342928268	PZSISEFPCYMBDL-UHFFFAOYSA-N	0	172.025	AE	2.153	0	Anodyne	ref	AEAARN	Cc1cccnc1Br	 
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	 
Nc1ccc2c(c1)C(=O)c1ccccc1-2	ZINC000000154807	29/45/09/169294509	SJODITPGMMSNRF-UHFFFAOYSA-N	0	195.221	AE	2.48	0	Anodyne	ref	AEAARN	Nc1ccc2c(c1)C(=O)c1ccccc1-2	 
Nc1ccc(C(=O)c2ccccc2)cc1	ZINC000000155146	29/19/01/169291901	RBKHNGHPZZZJCI-UHFFFAOYSA-N	0	197.237	AE	2.5	0	Anodyne	ref	AEAARN	Nc1ccc(C(=O)c2ccccc2)cc1	 
Nc1cccc(Cc2cccc(N)c2)c1	ZINC000000155330	29/65/63/169296563	CKOFBUUFHALZGK-UHFFFAOYSA-N	0	198.269	AE	2.442	0	Anodyne	ref	AEAARN	Nc1cccc(Cc2cccc(N)c2)c1	 
CSc1ccc(CC(=O)O)cc1	ZINC000000155934	31/05/85/168310585	AHMLFHMRRBJCRM-UHFFFAOYSA-N	-1	182.244	AE	2.036	0	Anodyne	ref	AEAARM	CSc1ccc(CC(=O)[O-])cc1	 
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	 
O=C(O)CSc1ccc(F)cc1	ZINC000000156142	34/22/29/169342229	HQEROVXUKINLPI-UHFFFAOYSA-N	-1	186.207	AE	2.002	0	Anodyne	ref	AEAARM	O=C([O-])CSc1ccc(F)cc1	 
O=C(O)/C=C/c1cccc(F)c1F	ZINC000000156153	33/45/97/169334597	NVQHKPLMLCHFSU-SNAWJCMRSA-N	-1	184.141	AE	2.063	0	Anodyne	ref	AEAARM	O=C([O-])/C=C/c1cccc(F)c1F	 
NC(=O)c1c(Cl)cccc1Cl	ZINC000000156529	16/38/27/169163827	JHSPCUHPSIUQRB-UHFFFAOYSA-N	0	190.029	AE	2.092	0	Anodyne	ref	AEAARN	NC(=O)c1c(Cl)cccc1Cl	in-vitro
O=C(O)c1cccc(Cl)c1	ZINC000000156863	35/88/07/169358807	LULAYUGMBFYYEX-UHFFFAOYSA-N	-1	156.568	AE	2.038	0	Anodyne	ref	AEAARM	O=C([O-])c1cccc(Cl)c1	in-man endogenous
O=C(O)c1ccc(Cl)cc1	ZINC000000156865	35/72/93/169357293	XRHGYUZYPHTUJZ-UHFFFAOYSA-N	-1	156.568	AE	2.038	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc(Cl)cc1	in-vivo
CC(=O)Nc1ccc(Cl)cc1	ZINC000000156872	28/46/07/166284607	GGUOCFNAWIODMF-UHFFFAOYSA-N	0	169.611	AE	2.298	0	Anodyne	ref	AEAARN	CC(=O)Nc1ccc(Cl)cc1	in-vitro
O=Cc1c(O)ccc2ccccc12	ZINC000000157162	27/16/68/351271668	NTCCNERMXRIPTR-UHFFFAOYSA-N	-1	172.183	AE	2.358	3	Anodyne	high	AEAAHM	O=Cc1c([O-])ccc2ccccc12	in-vitro
O=Cc1c(O)ccc2ccccc12	ZINC000000157162	27/16/64/351271664	NTCCNERMXRIPTR-UHFFFAOYSA-N	0	172.183	AE	2.358	0	Anodyne	ref	AEAARN	O=Cc1c(O)ccc2ccccc12	in-vitro
Cc1ccc(C)c(C(=O)O)c1	ZINC000000157322	92/93/53/342929353	XZRHNAFEYMSXRG-UHFFFAOYSA-N	-1	150.177	AE	2.002	0	Anodyne	ref	AEAARM	Cc1ccc(C)c(C(=O)[O-])c1	in-vitro
Cc1cc(N)c2ccccc2n1	ZINC000000157475	92/93/33/342929333	COCFIBRMFPWUDW-UHFFFAOYSA-N	0	158.204	AE	2.125	3	Anodyne	high	AEAAHN	Cc1cc(N)c2ccccc2n1	in-vitro
Cc1cc(N)c2ccccc2n1	ZINC000000157475	92/93/31/342929331	COCFIBRMFPWUDW-UHFFFAOYSA-N	1	158.204	AE	2.125	0	Anodyne	ref	AEAARO	Cc1cc(N)c2ccccc2[nH+]1	in-vitro
COc1ccc2[nH]ccc2c1	ZINC000000158156	27/14/96/351271496	DWAQDRSOVMLGRQ-UHFFFAOYSA-N	0	147.177	AE	2.176	0	Anodyne	ref	AEAARN	COc1ccc2[nH]ccc2c1	in-vitro
O=C(O)c1ccc(-c2cnco2)cc1	ZINC000000158792	35/77/08/169357708	MCPBXFWYUHYSIZ-UHFFFAOYSA-N	-1	189.17	AE	2.04	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc(-c2cnco2)cc1	 
O=C(O)c1cccc(-n2cccc2)c1	ZINC000000158956	92/97/34/342929734	PODFNQCZFHLJPH-UHFFFAOYSA-N	-1	187.198	AE	2.176	0	Anodyne	ref	AEAARM	O=C([O-])c1cccc(-n2cccc2)c1	 
Cc1cc(C)c(C(=O)O)c(C)c1	ZINC000000159788	92/97/71/342929771	FFFIRKXTFQCCKJ-UHFFFAOYSA-N	-1	164.204	AE	2.31	0	Anodyne	ref	AEAARM	Cc1cc(C)c(C(=O)[O-])c(C)c1	in-vitro
Cc1cccc(C(=O)O)c1C	ZINC000000160547	86/32/31/168863231	RIZUCYSQUWMQLX-UHFFFAOYSA-N	-1	150.177	AE	2.002	0	Anodyne	ref	AEAARM	Cc1cccc(C(=O)[O-])c1C	in-vitro
Cc1cc(Cl)ccc1C(=O)O	ZINC000000160567	93/01/42/342930142	XXFKOBGFMUIWDH-UHFFFAOYSA-N	-1	170.595	AE	2.347	0	Anodyne	ref	AEAARM	Cc1cc(Cl)ccc1C(=O)[O-]	 
C=CCc1cc(C(C)=O)ccc1O	ZINC000000161209	20/71/39/166207139	XVTCWUFLNLZPEJ-UHFFFAOYSA-N	-1	176.215	AE	2.323	1	Mild	mid	AEEAMM	C=CCc1cc(C(C)=O)ccc1[O-]	 
C=CCc1cc(C(C)=O)ccc1O	ZINC000000161209	20/71/38/166207138	XVTCWUFLNLZPEJ-UHFFFAOYSA-N	0	176.215	AE	2.323	0	Mild	ref	AEEARN	C=CCc1cc(C(C)=O)ccc1O	 
OCc1cc(Cl)cc(Cl)c1O	ZINC000000161716	27/26/96/351272696	DTJNPTWSVJSFRE-UHFFFAOYSA-N	-1	193.029	AE	2.191	1	Anodyne	mid	AEAAMM	[O-]c1c(Cl)cc(Cl)cc1CO	 
OCc1cc(Cl)cc(Cl)c1O	ZINC000000161716	27/26/87/351272687	DTJNPTWSVJSFRE-UHFFFAOYSA-N	-1	193.029	AE	2.191	0	Anodyne	ref	AEAARM	OCc1cc(Cl)cc(Cl)c1O	 
COc1ccc(/C=C/C(C)=O)cc1	ZINC000000162361	24/32/09/168243209	WRRZKDVBPZBNJN-ONEGZZNKSA-N	0	176.215	AE	2.297	0	Mild	ref	AEEARN	COc1ccc(/C=C/C(C)=O)cc1	in-vitro biogenic
O=C(O)c1cc(Cl)nc(Cl)c1	ZINC000000163244	35/67/79/169356779	SQSYNRCXIZHKAI-UHFFFAOYSA-N	-1	192.001	AE	2.087	0	Anodyne	ref	AEAARM	O=C([O-])c1cc(Cl)nc(Cl)c1	in-vitro
CC(=O)Nc1cccc(C)c1C	ZINC000000163982	99/28/72/170992872	SRSHEJADOPNDDF-UHFFFAOYSA-N	0	163.22	AE	2.262	0	Anodyne	ref	AEAARN	CC(=O)Nc1cccc(C)c1C	 
N#Cc1ccccc1Br	ZINC000000164585	99/29/36/170992936	AFMPMSCZPVNPEM-UHFFFAOYSA-N	0	182.02	AE	2.321	0	Mild	ref	AEEARN	N#Cc1ccccc1Br	 
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	 
COc1c(C)cc(C(=O)O)cc1C	ZINC000000165598	22/28/04/168222804	WXVQURJGDUNJCS-UHFFFAOYSA-N	-1	180.203	AE	2.01	0	Anodyne	ref	AEAARM	COc1c(C)cc(C(=O)[O-])cc1C	in-vitro biogenic
N#Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000000167153	11/40/85/169114085	ZHLCARBDIRRRHD-UHFFFAOYSA-N	0	182.566	AE	2.12	0	Mild	ref	AEEARN	N#Cc1c(Cl)cccc1[N+](=O)[O-]	 
CC(=O)Nc1cccc(Cl)c1	ZINC000000171657	93/11/13/342931113	MUUQHCOAOLLHIL-UHFFFAOYSA-N	0	169.611	AE	2.298	0	Anodyne	ref	AEAARN	CC(=O)Nc1cccc(Cl)c1	 
Oc1ccccc1CN1CCCCC1	ZINC000000171779	27/38/30/351273830	FTKQHXNOTYHHLE-UHFFFAOYSA-N	0	191.274	AE	2.378	3	Clean	high	AECAHN	[O-]c1ccccc1C[NH+]1CCCCC1	 
Oc1ccccc1CN1CCCCC1	ZINC000000171779	27/38/28/351273828	FTKQHXNOTYHHLE-UHFFFAOYSA-N	1	191.274	AE	2.378	0	Clean	ref	AECARO	Oc1ccccc1C[NH+]1CCCCC1	 
CC(=O)c1[nH]c2c(c1C)CCCC2	ZINC000000195161	31/36/31/166313631	RSLZWSQUVHVIMB-UHFFFAOYSA-N	0	177.247	AE	2.405	0	Anodyne	ref	AEAARN	CC(=O)c1[nH]c2c(c1C)CCCC2	 
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=C(Oc1cccnc1)c1ccccc1	ZINC000000254913	36/19/01/169361901	QIVALJLFVRSZHT-UHFFFAOYSA-N	0	199.209	AE	2.301	0	Anodyne	ref	AEAARN	O=C(Oc1cccnc1)c1ccccc1	 
CC(=C/C(=O)O)/C=C/c1ccco1	ZINC000000262313	23/01/08/166230108	YQUYSXFOPNDMKO-HTKRNXBHSA-N	-1	178.187	AE	2.324	0	Anodyne	ref	AEAARM	CC(=C/C(=O)[O-])/C=C/c1ccco1	 
NN=C(c1ccccc1)c1ccccc1	ZINC000000270781	23/41/30/169234130	QYCSNMDOZNUZIT-UHFFFAOYSA-N	0	196.253	AE	2.398	0	Mild	ref	AEEARN	NN=C(c1ccccc1)c1ccccc1	 
CCOC(=O)[C@H]1C[C@H]1c1ccccc1	ZINC000000330071	36/30/58/167363058	SRGUIJLJERBBCM-QWRGUYRKSA-N	0	190.242	AE	2.353	0	Anodyne	ref	AEAARN	CCOC(=O)[C@H]1C[C@H]1c1ccccc1	 
CCOC(=O)[C@@H]1C[C@H]1c1ccccc1	ZINC000000330073	35/35/51/167353551	SRGUIJLJERBBCM-WDEREUQCSA-N	0	190.242	AE	2.353	0	Anodyne	ref	AEAARN	CCOC(=O)[C@@H]1C[C@H]1c1ccccc1	 
CCOC(=O)[C@H]1C[C@@H]1c1ccccc1	ZINC000000330077	36/36/16/167363616	SRGUIJLJERBBCM-MNOVXSKESA-N	0	190.242	AE	2.353	0	Anodyne	ref	AEAARN	CCOC(=O)[C@H]1C[C@@H]1c1ccccc1	 
CCOC(=O)[C@@H]1C[C@@H]1c1ccccc1	ZINC000000330078	35/32/14/167353214	SRGUIJLJERBBCM-GHMZBOCLSA-N	0	190.242	AE	2.353	0	Anodyne	ref	AEAARN	CCOC(=O)[C@@H]1C[C@@H]1c1ccccc1	 
COc1cc(C)c(C(=O)O)c(C)c1	ZINC000000330110	22/83/05/168228305	GFWRERVOFRPXKB-UHFFFAOYSA-N	-1	180.203	AE	2.01	0	Anodyne	ref	AEAARM	COc1cc(C)c(C(=O)[O-])c(C)c1	 
O=Cc1ccc2cc(C=O)ccc2c1	ZINC000000330127	27/51/87/351275187	IQDQMRZGMILNMQ-UHFFFAOYSA-N	0	184.194	AE	2.465	0	Anodyne	ref	AEAARN	O=Cc1ccc2cc(C=O)ccc2c1	 
O=C(O)c1ccccc1Cl	ZINC000000330133	93/32/42/342933242	IKCLCGXPQILATA-UHFFFAOYSA-N	-1	156.568	AE	2.038	0	Anodyne	ref	AEAARM	O=C([O-])c1ccccc1Cl	in-vitro
Cc1cc(C)cc(C(=O)O)c1	ZINC000000330139	93/33/36/342933336	UMVOQQDNEYOJOK-UHFFFAOYSA-N	-1	150.177	AE	2.002	0	Anodyne	ref	AEAARM	Cc1cc(C)cc(C(=O)[O-])c1	in-vitro
COc1cc(C)c(C=O)c(C)c1	ZINC000000330144	22/93/97/168229397	ZFINNXSRPCWLHX-UHFFFAOYSA-N	0	164.204	AE	2.125	0	Anodyne	ref	AEAARN	COc1cc(C)c(C=O)c(C)c1	 
CCC(=O)c1ccc(OC)cc1	ZINC000000330146	77/55/28/166775528	ZJVAWPKTWVFKHG-UHFFFAOYSA-N	0	164.204	AE	2.288	0	Anodyne	ref	AEAARN	CCC(=O)c1ccc(OC)cc1	in-vitro
COc1ccc(C=S)cc1	ZINC000000330169	24/92/00/168249200	PSCGHQRKTJYCJO-UHFFFAOYSA-N	0	152.218	AE	2.043	0	Clean	ref	AECARN	COc1ccc(C=S)cc1	 
CC1(C)C(=O)c2ccccc2C1=O	ZINC000000330171	93/31/90/342933190	BNPBWSGZTORGIH-UHFFFAOYSA-N	0	174.199	AE	2.092	0	Clean	ref	AECARN	CC1(C)C(=O)c2ccccc2C1=O