C=CCc1ccc(O)c(OC)c1	ZINC000000001411	20/61/38/166206138	RRAFCDWBNXTKKO-UHFFFAOYSA-N	0	164.204	AE	2.129	0	Mild	ref	AEEARN	C=CCc1ccc(O)c(OC)c1	fda endogenous
CC1=CC(=O)c2ccccc2C1=O	ZINC000000001677	92/36/18/342923618	MJVAVZPDRWSRRC-UHFFFAOYSA-N	0	172.183	AE	2.012	0	Mild	ref	AEEARN	CC1=CC(=O)c2ccccc2C1=O	world endogenous
Cc1ccc(=O)n(-c2ccccc2)c1	ZINC000000001958	92/35/66/342923566	ISWRGOKTTBVCFA-UHFFFAOYSA-N	0	185.226	AE	2.146	0	Anodyne	ref	AEAARN	Cc1ccc(=O)n(-c2ccccc2)c1	fda
CC1(C)CCCC(C)(C)N1O	ZINC000000002687	67/33/42/166673342	VUZNLSBZRVZGIK-UHFFFAOYSA-N	0	157.257	AE	2.419	0	Anodyne	ref	AEAARN	CC1(C)CCCC(C)(C)N1O	 
Nc1ccc(Br)cc1	ZINC000000013614	29/03/00/169290300	WDFQBORIUYODSI-UHFFFAOYSA-N	0	172.025	AE	2.031	0	Anodyne	ref	AEAARN	Nc1ccc(Br)cc1	 
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
O=C(O)c1cc2ccccc2cc1O	ZINC000000037857	35/69/86/169356986	ALKYHXVLJMQRLQ-UHFFFAOYSA-N	-1	188.182	AE	2.244	0	Anodyne	ref	AEAARM	O=C([O-])c1cc2ccccc2cc1O	in-vitro
O=C(O)c1cnc(Cl)c(Cl)c1	ZINC000000039488	35/94/37/169359437	RNRLTTNKVLFZJS-UHFFFAOYSA-N	-1	192.001	AE	2.087	0	Anodyne	ref	AEAARM	O=C([O-])c1cnc(Cl)c(Cl)c1	 
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	 
Cc1ccc(-c2nnc(N)s2)cc1	ZINC000000039838	92/44/32/342924432	ZLDPCNCAFSBFCX-UHFFFAOYSA-N	0	191.259	AE	2.096	0	Anodyne	ref	AEAARN	Cc1ccc(-c2nnc(N)s2)cc1	 
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
CCN(CC)c1ccc(N)c(C)c1	ZINC000000056876	17/38/76/167173876	XBTWVJKPQPQTDW-UHFFFAOYSA-N	0	178.279	AE	2.423	1	Anodyne	mid	AEAAMN	CCN(CC)c1ccc(N)c(C)c1	 
CCN(CC)c1ccc(N)c(C)c1	ZINC000000056876	17/38/71/167173871	XBTWVJKPQPQTDW-UHFFFAOYSA-N	1	178.279	AE	2.423	0	Anodyne	ref	AEAARO	CC[NH+](CC)c1ccc(N)c(C)c1	 
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
Cc1ccc2oc(=O)ccc2c1	ZINC000000057740	92/55/59/342925559	FXFYOPQLGGEACP-UHFFFAOYSA-N	0	160.172	AE	2.101	0	Anodyne	ref	AEAARN	Cc1ccc2oc(=O)ccc2c1	in-man endogenous
Clc1ncccc1Br	ZINC000000065256	02/78/85/169027885	HDYNIWBNWMFBDO-UHFFFAOYSA-N	0	192.443	AE	2.498	0	Anodyne	ref	AEAARN	Clc1ncccc1Br	 
CN(C)Cc1c[nH]c2ccccc12	ZINC000000073686	92/58/02/342925802	OCDGBSUVYYVKQZ-UHFFFAOYSA-N	0	174.247	AE	2.229	3	Anodyne	high	AEAAHN	CN(C)Cc1c[nH]c2ccccc12	in-man endogenous
CN(C)Cc1c[nH]c2ccccc12	ZINC000000073686	92/57/99/342925799	OCDGBSUVYYVKQZ-UHFFFAOYSA-N	1	174.247	AE	2.229	0	Anodyne	ref	AEAARO	C[NH+](C)Cc1c[nH]c2ccccc12	in-man endogenous
Oc1ccc2cc(O)ccc2c1	ZINC000000074155	26/95/81/351269581	MNZMMCVIXORAQL-UHFFFAOYSA-N	0	160.172	AE	2.251	0	Anodyne	ref	AEAARN	Oc1ccc2cc(O)ccc2c1	in-vitro biogenic
Nc1ccc(OC(F)(F)F)cc1	ZINC000000081472	29/30/37/169293037	XUJFOSLZQITUOI-UHFFFAOYSA-N	0	177.125	AE	2.167	0	Clean	ref	AECARN	Nc1ccc(OC(F)(F)F)cc1	 
O=[N+]([O-])c1cccc2[nH]ccc12	ZINC000000082985	26/92/63/351269263	LAVZKLJDKGRZJG-UHFFFAOYSA-N	0	162.148	AE	2.076	0	Bother	ref	AEBARN	O=[N+]([O-])c1cccc2[nH]ccc12	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
N#Cc1sccc1Br	ZINC000000108590	99/12/88/170991288	RNIRKEQGYHHNSE-UHFFFAOYSA-N	0	188.049	AE	2.382	0	Mild	ref	AEEARN	N#Cc1sccc1Br	 
O=C(c1ccccc1)c1ccc[nH]1	ZINC000000110529	36/35/33/169363533	NFGGQMYSOLVBLF-UHFFFAOYSA-N	0	171.199	AE	2.246	0	Anodyne	ref	AEAARN	O=C(c1ccccc1)c1ccc[nH]1	in-vitro
O=Cc1cc(Br)cs1	ZINC000000120279	40/18/83/169401883	PDONIKHDXYHTLS-UHFFFAOYSA-N	0	191.049	AE	2.323	0	Anodyne	ref	AEAARN	O=Cc1cc(Br)cs1	 
O=C(O)c1ccc(Cl)s1	ZINC000000125451	35/78/59/169357859	QZLSBOVWPHXCLT-UHFFFAOYSA-N	-1	162.597	AE	2.1	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc(Cl)s1	in-vitro
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
O=C(c1ccccc1)c1cccnc1	ZINC000000136687	36/38/61/169363861	RYMBAPVTUHZCNF-UHFFFAOYSA-N	0	183.21	AE	2.313	0	Anodyne	ref	AEAARN	O=C(c1ccccc1)c1cccnc1	 
O=C(O)c1nc(Cl)ccc1Cl	ZINC000000139433	92/77/46/342927746	HUBANNPOLNYSAD-UHFFFAOYSA-N	-1	192.001	AE	2.087	0	Anodyne	ref	AEAARM	O=C([O-])c1nc(Cl)ccc1Cl	in-vitro
Nc1ccccc1C(=O)c1ccccc1	ZINC000000143376	29/86/97/169298697	MAOBFOXLCJIFLV-UHFFFAOYSA-N	0	197.237	AE	2.5	0	Anodyne	ref	AEAARN	Nc1ccccc1C(=O)c1ccccc1	 
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	 
Cc1cccnc1Br	ZINC000000152336	92/82/68/342928268	PZSISEFPCYMBDL-UHFFFAOYSA-N	0	172.025	AE	2.153	0	Anodyne	ref	AEAARN	Cc1cccnc1Br	 
N#Cc1ccc(F)c(Cl)c1	ZINC000000152696	12/22/69/169122269	VAHXXQJJZKBZDX-UHFFFAOYSA-N	0	155.559	AE	2.351	0	Mild	ref	AEEARN	N#Cc1ccc(F)c(Cl)c1	 
O=C(O)c1ccc(F)c(Cl)c1	ZINC000000152712	35/71/88/169357188	PKTSBFXIHLYGEY-UHFFFAOYSA-N	-1	174.558	AE	2.177	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc(F)c(Cl)c1	 
Nc1ccc(F)cc1Cl	ZINC000000152883	92/86/43/342928643	XRAKCYJTJGTSMM-UHFFFAOYSA-N	0	145.564	AE	2.061	0	Anodyne	ref	AEAARN	Nc1ccc(F)cc1Cl	 
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	 
CC(=O)c1ccc(F)c(F)c1	ZINC000000152902	32/51/48/166325148	VWJSSJFLXRMYNV-UHFFFAOYSA-N	0	156.131	AE	2.167	0	Anodyne	ref	AEAARN	CC(=O)c1ccc(F)c(F)c1	 
Nc1cc(Cl)c(Cl)cc1N	ZINC000000153086	28/53/77/169285377	IWFHBRFJOHTIPU-UHFFFAOYSA-N	0	177.034	AE	2.158	0	Anodyne	ref	AEAARN	Nc1cc(Cl)c(Cl)cc1N	in-vitro
COc1cccc2cc[nH]c12	ZINC000000153788	27/63/62/168276362	FSOPPXYMWZOKRM-UHFFFAOYSA-N	0	147.177	AE	2.176	0	Anodyne	ref	AEAARN	COc1cccc2cc[nH]c12	 
Nc1cccc2c(O)cccc12	ZINC000000154765	29/78/15/169297815	ZBIBQNVRTVLOHQ-UHFFFAOYSA-N	0	159.188	AE	2.128	0	Anodyne	ref	AEAARN	Nc1cccc2c(O)cccc12	 
N#Cc1ccc(F)cc1Cl	ZINC000000155282	12/16/91/169121691	PGKPNNMOFHNZJX-UHFFFAOYSA-N	0	155.559	AE	2.351	0	Mild	ref	AEEARN	N#Cc1ccc(F)cc1Cl	 
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=Cc1ccccc1Br	ZINC000000157164	99/20/74/170992074	NDOPHXWIAZIXPR-UHFFFAOYSA-N	0	185.02	AE	2.262	0	Anodyne	ref	AEAARN	O=Cc1ccccc1Br	 
Nc1cccc(C(F)(F)F)c1F	ZINC000000157175	29/66/81/169296681	YKPDYPPZLUZONK-UHFFFAOYSA-N	0	179.116	AE	2.427	0	Anodyne	ref	AEAARN	Nc1cccc(C(F)(F)F)c1F	 
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	 
CC(=O)c1ccc(F)cc1F	ZINC000000157303	32/41/44/166324144	QEWHNJPLPZOEKU-UHFFFAOYSA-N	0	156.131	AE	2.167	0	Anodyne	ref	AEAARN	CC(=O)c1ccc(F)cc1F	 
CC(=O)c1ccc(F)cc1	ZINC000000157311	32/57/85/166325785	ZDPAWHACYDRYIW-UHFFFAOYSA-N	0	138.141	AE	2.028	0	Anodyne	ref	AEAARN	CC(=O)c1ccc(F)cc1	 
CC(=O)c1ccccc1F	ZINC000000157320	33/01/87/166330187	QMATYTFXDIWACW-UHFFFAOYSA-N	0	138.141	AE	2.028	0	Anodyne	ref	AEAARN	CC(=O)c1ccccc1F	 
O=C1CCC(C(F)(F)F)CC1	ZINC000000157897	36/92/71/169369271	IPQDZFUZVJKAKZ-UHFFFAOYSA-N	0	166.142	AE	2.308	0	Anodyne	ref	AEAARN	O=C1CCC(C(F)(F)F)CC1	in-vitro
O=C(O)c1ccc(Cl)cc1F	ZINC000000158136	35/75/76/169357576	ZLPXBWMVZANJJQ-UHFFFAOYSA-N	-1	174.558	AE	2.177	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc(Cl)cc1F	 
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=Cc1cccc2cccnc12	ZINC000000158599	92/96/86/342929686	OVZQVGZERAFSPI-UHFFFAOYSA-N	0	157.172	AE	2.047	0	Anodyne	ref	AEAARN	O=Cc1cccc2cccnc12	 
O=Cc1ccc2ccccc2n1	ZINC000000158602	27/17/17/351271717	WPYJKGWLDJECQD-UHFFFAOYSA-N	0	157.172	AE	2.047	0	Anodyne	ref	AEAARN	O=Cc1ccc2ccccc2n1	 
O=Cc1ccnc2ccccc12	ZINC000000158607	27/17/19/351271719	MGCGJBXTNWUHQE-UHFFFAOYSA-N	0	157.172	AE	2.047	0	Anodyne	ref	AEAARN	O=Cc1ccnc2ccccc12	 
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
Cc1ccc(CN)cc1Cl	ZINC000000160569	93/00/31/342930031	MXIGALIASISPNU-UHFFFAOYSA-N	1	155.628	AE	2.107	0	Anodyne	ref	AEAARO	Cc1ccc(C[NH3+])cc1Cl	 
Cc1cc(Cl)nnc1Cl	ZINC000000161453	93/01/23/342930123	ROYHWGZNGMXQEU-UHFFFAOYSA-N	0	163.007	AE	2.092	0	Anodyne	ref	AEAARN	Cc1cc(Cl)nnc1Cl	 
C=Cc1ccc(C(=O)O)cc1	ZINC000000162323	22/30/37/166223037	IRQWEODKXLDORP-UHFFFAOYSA-N	-1	148.161	AE	2.028	0	Anodyne	ref	AEAARM	C=Cc1ccc(C(=O)[O-])cc1	in-vitro
CC(C)Oc1ccc(C=O)cc1	ZINC000000162811	93/00/59/342930059	WDANSDASCKBVKH-UHFFFAOYSA-N	0	164.204	AE	2.286	0	Anodyne	ref	AEAARN	CC(C)Oc1ccc(C=O)cc1	 
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
Nc1ccccc1OC(F)(F)F	ZINC000000163283	29/89/56/169298956	ZFCOUBUSGHLCDT-UHFFFAOYSA-N	0	177.125	AE	2.167	0	Anodyne	ref	AEAARN	Nc1ccccc1OC(F)(F)F	 
Fc1ccc2cc[nH]c2c1	ZINC000000163312	08/51/63/169085163	YYFFEPUCAKVRJX-UHFFFAOYSA-N	0	135.141	AE	2.307	0	Anodyne	ref	AEAARN	Fc1ccc2cc[nH]c2c1	 
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
O=Cc1cccc(Cl)c1	ZINC000000164556	99/28/97/170992897	SRWILAKSARHZPR-UHFFFAOYSA-N	0	140.569	AE	2.152	0	Anodyne	ref	AEAARN	O=Cc1cccc(Cl)c1	in-vitro
Cc1cc(F)ccc1[N+](=O)[O-]	ZINC000000164614	93/05/81/342930581	JHFOWEGCZWLHNW-UHFFFAOYSA-N	0	155.128	AE	2.042	0	Bother	ref	AEBARN	Cc1cc(F)ccc1[N+](=O)[O-]	 
Oc1ccccc1C(F)(F)F	ZINC000000164884	27/22/65/351272265	ZOQOPXVJANRGJZ-UHFFFAOYSA-N	-1	162.11	AE	2.411	3	Anodyne	high	AEAAHM	[O-]c1ccccc1C(F)(F)F	 
Oc1ccccc1C(F)(F)F	ZINC000000164884	27/22/54/351272254	ZOQOPXVJANRGJZ-UHFFFAOYSA-N	0	162.11	AE	2.411	0	Anodyne	ref	AEAARN	Oc1ccccc1C(F)(F)F	 
O=Cc1sccc1Br	ZINC000000165178	27/34/21/351273421	BCZHCWCOQDRYGS-UHFFFAOYSA-N	0	191.049	AE	2.323	0	Anodyne	ref	AEAARN	O=Cc1sccc1Br	 
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
OCc1cc(Cl)cc(Cl)c1	ZINC000000165982	27/38/15/351273815	VSNNLLQKDRCKCB-UHFFFAOYSA-N	0	177.03	AE	2.486	0	Anodyne	ref	AEAARN	OCc1cc(Cl)cc(Cl)c1	 
Brc1ccc2[nH]ncc2c1	ZINC000000233377	93/19/25/342931925	STVHMYNPQCLUNJ-UHFFFAOYSA-N	0	197.035	AE	2.325	0	Anodyne	ref	AEAARN	Brc1ccc2n[nH]cc2c1	in-vivo
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	 
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
Clc1ccc(Br)nc1	ZINC000000330764	93/31/60/342933160	BZUUVQCSPHPUQA-UHFFFAOYSA-N	0	192.443	AE	2.498	0	Anodyne	ref	AEAARN	Clc1ccc(Br)nc1	 
O=C(O)c1cnc(Cl)cc1Cl	ZINC000000330874	35/97/78/169359778	ILMIEWNDXAKVNI-UHFFFAOYSA-N	-1	192.001	AE	2.087	0	Anodyne	ref	AEAARM	O=C([O-])c1cnc(Cl)cc1Cl	 
O=[N+]([O-])c1ccccc1Cl	ZINC000000331636	41/44/66/169414466	BFCFYVKQTRLZHA-UHFFFAOYSA-N	0	157.556	AE	2.248	0	Bother	ref	AEBARN	O=[N+]([O-])c1ccccc1Cl	in-vitro
Clc1ccncc1Br	ZINC000000331843	02/59/82/169025982	QADXKWUCCGPQNR-UHFFFAOYSA-N	0	192.443	AE	2.498	0	Anodyne	ref	AEAARN	Clc1ccncc1Br	 
Cc1cncc(Br)c1	ZINC000000331876	90/95/42/168909542	ADCLTLQMVAEBLB-UHFFFAOYSA-N	0	172.025	AE	2.153	0	Anodyne	ref	AEAARN	Cc1cncc(Br)c1	in-vitro
Clc1cccnc1Cl	ZINC000000333069	02/44/35/169024435	MAKFMOSBBNKPMS-UHFFFAOYSA-N	0	147.992	AE	2.388	0	Anodyne	ref	AEAARN	Clc1cccnc1Cl	 
Cc1c(Cl)ncnc1Cl	ZINC000000334079	93/41/43/342934143	NUEYDUKUIXVKNB-UHFFFAOYSA-N	0	163.007	AE	2.092	0	Anodyne	ref	AEAARN	Cc1c(Cl)ncnc1Cl	in-vitro
O=C(O)CCc1cccc(Cl)c1	ZINC000000334870	33/96/09/169339609	CLTDVBQNUHHYCA-UHFFFAOYSA-N	-1	184.622	AE	2.357	0	Anodyne	ref	AEAARM	O=C([O-])CCc1cccc(Cl)c1	 
O=C(O)CCc1ccccc1Cl	ZINC000000334879	33/89/10/169338910	KZMDFTFGWIVSNQ-UHFFFAOYSA-N	-1	184.622	AE	2.357	0	Anodyne	ref	AEAARM	O=C([O-])CCc1ccccc1Cl	 
Cc1cccc(C)c1C(=O)O	ZINC000000335492	93/39/61/342933961	HCBHQDKBSKYGCK-UHFFFAOYSA-N	-1	150.177	AE	2.002	0	Anodyne	ref	AEAARM	Cc1cccc(C)c1C(=O)[O-]	in-vitro
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	 
CC(=O)c1c[nH]c2ccccc12	ZINC000000335859	31/57/99/166315799	VUIMBZIZZFSQEE-UHFFFAOYSA-N	0	159.188	AE	2.371	0	Anodyne	ref	AEAARN	CC(=O)c1c[nH]c2ccccc12	in-vitro
COc1c(C)cnc(CCl)c1C	ZINC000000336108	17/79/21/560177921	SRKVJDYNPSMHJM-UHFFFAOYSA-N	1	185.654	AE	2.446	2	Reactive	low	AEGALO	COc1c(C)c[nH+]c(CCl)c1C	in-vitro
COc1c(C)cnc(CCl)c1C	ZINC000000336108	17/79/20/560177920	SRKVJDYNPSMHJM-UHFFFAOYSA-N	0	185.654	AE	2.446	0	Reactive	ref	AEGARN	COc1c(C)cnc(CCl)c1C	in-vitro
COc1ccc2cc[nH]c2c1	ZINC000000337544	26/55/45/168265545	QJRWYBIKLXNYLF-UHFFFAOYSA-N	0	147.177	AE	2.176	0	Anodyne	ref	AEAARN	COc1ccc2cc[nH]c2c1	in-vitro
O=C(O)c1ccc(-c2ccccn2)cc1	ZINC000000338742	35/74/83/169357483	AQIPNZHMXANQRC-UHFFFAOYSA-N	-1	199.209	AE	2.447	0	Anodyne	ref	AEAARM	O=C([O-])c1ccc(-c2ccccn2)cc1	in-vitro
Oc1cccc(CN2CCCCC2)c1	ZINC000000347230	93/49/15/342934915	ORGBERFQYFWYGX-UHFFFAOYSA-N	0	191.274	AE	2.378	3	Anodyne	high	AEAAHN	Oc1cccc(CN2CCCCC2)c1	in-vitro
Oc1cccc(CN2CCCCC2)c1	ZINC000000347230	93/49/14/342934914	ORGBERFQYFWYGX-UHFFFAOYSA-N	1	191.274	AE	2.378	0	Anodyne	ref	AEAARO	Oc1cccc(C[NH+]2CCCCC2)c1	in-vitro
CC(C)(C)c1cc(O)ccc1O	ZINC000000388085	38/28/69/166382869	BGNXCDMCOKJUMV-UHFFFAOYSA-N	0	166.22	AE	2.395	0	Anodyne	ref	AEAARN	CC(C)(C)c1cc(O)ccc1O	in-man endogenous
COc1ccc(CS)cc1	ZINC000000388092	25/10/03/168251003	PTDVPWWJRCOIIO-UHFFFAOYSA-N	0	154.234	AE	2.125	0	Mild	ref	AEEARN	COc1ccc(CS)cc1	in-vivo
Cc1cccc(Cl)n1	ZINC000000388111	93/57/37/342935737	GXZDYRYYNXYPMQ-UHFFFAOYSA-N	0	127.574	AE	2.043	0	Anodyne	ref	AEAARN	Cc1cccc(Cl)n1	 
CC(C)(C)c1ccc(O)c(O)c1	ZINC000000388150	38/29/28/166382928	XESZUVZBAMCAEJ-UHFFFAOYSA-N	0	166.22	AE	2.395	0	Clean	ref	AECARN	CC(C)(C)c1ccc(O)c(O)c1	in-vitro
O=C(O)CCC1CCCCC1	ZINC000000388386	33/77/99/169337799	HJZLEGIHUQOJBA-UHFFFAOYSA-N	-1	156.225	AE	2.432	0	Anodyne	ref	AEAARM	O=C([O-])CCC1CCCCC1	in-vivo
Oc1ccc(F)cc1Cl	ZINC000000388394	93/55/20/342935520	IGYXYGDEYHNFFT-UHFFFAOYSA-N	-1	146.548	AE	2.185	1	Anodyne	mid	AEAAMM	[O-]c1ccc(F)cc1Cl	 
Oc1ccc(F)cc1Cl	ZINC000000388394	93/55/19/342935519	IGYXYGDEYHNFFT-UHFFFAOYSA-N	0	146.548	AE	2.185	0	Anodyne	ref	AEAARN	Oc1ccc(F)cc1Cl