CCOc1ccc(NC(C)=O)cc1	ZINC000000000602	41/84/39/167418439	CPJSUEIXXCENMM-UHFFFAOYSA-N	0	179.219	AE	2.044	0	Anodyne	ref	AEAARN	CCOc1ccc(NC(C)=O)cc1	in-man
CCN(CC)C(=O)c1cccc(C)c1	ZINC000000001291	16/37/75/167163775	MMOXZBCLCQITDF-UHFFFAOYSA-N	0	191.274	AE	2.477	0	Anodyne	ref	AEAARN	CCN(CC)C(=O)c1cccc(C)c1	in-man
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
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)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
COc1ccc2c(C)cc(=O)oc2c1	ZINC000000058049	21/53/65/171215365	UDFPKNSWSYBIHO-UHFFFAOYSA-N	0	190.198	AE	2.11	0	Anodyne	ref	AEAARN	COc1ccc2c(C)cc(=O)oc2c1	in-vitro
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
CC[C@H](C(=O)O)c1ccccc1	ZINC000000281855	93/28/53/342932853	OFJWFSNDPCAWDK-VIFPVBQESA-N	-1	164.204	AE	2.265	0	Anodyne	ref	AEAARM	CC[C@H](C(=O)[O-])c1ccccc1	in-man endogenous
CC[C@@H](C(=O)O)c1ccccc1	ZINC000000281856	44/83/57/167448357	OFJWFSNDPCAWDK-SECBINFHSA-N	-1	164.204	AE	2.265	0	Anodyne	ref	AEAARM	CC[C@@H](C(=O)[O-])c1ccccc1	in-man endogenous
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2	ZINC000000967521	70/14/57/166701457	DSSYKIVIOFKYAU-OIBJUYFYSA-N	0	152.237	AE	2.402	0	Anodyne	ref	AEAARN	CC1(C)[C@H]2CC[C@]1(C)C(=O)C2	fda biogenic
C=C(C)[C@H]1CC=C(C)C(=O)C1	ZINC000000968102	13/01/28/166130128	ULDHMXUKGWMISQ-VIFPVBQESA-N	0	150.221	AE	2.488	0	Mild	ref	AEEARN	C=C(C)[C@H]1CC=C(C)C(=O)C1	in-man endogenous
CN1CC=C(c2ccccc2)CC1	ZINC000000968184	94/23/45/342942345	PLRACCBDVIHHLZ-UHFFFAOYSA-N	0	173.259	AE	2.406	3	Anodyne	high	AEAAHN	CN1CC=C(c2ccccc2)CC1	in-vivo
CN1CC=C(c2ccccc2)CC1	ZINC000000968184	94/23/42/342942342	PLRACCBDVIHHLZ-UHFFFAOYSA-N	1	173.259	AE	2.406	1	Anodyne	mid	AEAAMO	C[N@@H+]1CC=C(c2ccccc2)CC1	in-vivo
CN1CC=C(c2ccccc2)CC1	ZINC000000968184	94/23/40/342942340	PLRACCBDVIHHLZ-UHFFFAOYSA-N	1	173.259	AE	2.406	0	Anodyne	ref	AEAARO	C[N@H+]1CC=C(c2ccccc2)CC1	in-vivo
CC(C)CCC[C@@H](C)N	ZINC000001481887	28/66/07/351286607	QNIVIMYXGGFTAK-MRVPVSSYSA-N	1	129.247	AE	2.16	0	Anodyne	ref	AEAARO	CC(C)CCC[C@@H](C)[NH3+]	in-man
CC(C)(O)C(Cl)(Cl)Cl	ZINC000001482005	21/51/82/171215182	OSASVXMJTNOKOY-UHFFFAOYSA-N	0	177.458	AE	2.128	0	Anodyne	ref	AEAARN	CC(C)(O)C(Cl)(Cl)Cl	world
FC(F)(F)COCC(F)(F)F	ZINC000001482071	07/19/51/169071951	KGPPDNUWZNWPSI-UHFFFAOYSA-N	0	182.063	AE	2.128	0	Anodyne	ref	AEAARN	FC(F)(F)COCC(F)(F)F	in-man
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O	ZINC000001482164	58/59/17/166585917	NOOLISFMXDJSKH-KXUCPTDWSA-N	0	156.269	AE	2.44	0	Anodyne	ref	AEAARN	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O	fda endogenous
S=C=NCc1ccccc1	ZINC000001529592	74/36/69/290743669	MDKCFLQDBWCQCV-UHFFFAOYSA-N	0	149.218	AE	2.289	0	Reactive	ref	AEGARN	S=C=NCc1ccccc1	world endogenous
CCCCOC(=O)c1ccc(N)cc1	ZINC000001530937	94/66/39/342946639	IUWVALYLNVXWKX-UHFFFAOYSA-N	0	193.246	AE	2.226	0	Anodyne	ref	AEAARN	CCCCOC(=O)c1ccc(N)cc1	in-man
O=C(O)/C=C/C=C/c1ccccc1	ZINC000001577023	33/48/46/169334846	FEIQOMCWGDNMHM-KBXRYBNXSA-N	-1	174.199	AE	2.341	0	Anodyne	ref	AEAARM	O=C([O-])/C=C/C=C/c1ccccc1	in-vitro
CC1(C)CCC[C@]2(C)OC(=O)C=C12	ZINC000001583510	94/93/02/342949302	IMKHDCBNRDRUEB-NSHDSACASA-N	0	180.247	AE	2.438	0	Anodyne	ref	AEAARN	CC1(C)CCC[C@]2(C)OC(=O)C=C12	in-man endogenous
CCCCOC(=O)c1ccc(O)cc1	ZINC000001586769	94/95/67/342949567	QFOHBWFCKVYLES-UHFFFAOYSA-N	-1	194.23	AE	2.349	3	Anodyne	high	AEAAHM	CCCCOC(=O)c1ccc([O-])cc1	in-man endogenous
CCCCOC(=O)c1ccc(O)cc1	ZINC000001586769	94/95/64/342949564	QFOHBWFCKVYLES-UHFFFAOYSA-N	0	194.23	AE	2.349	0	Anodyne	ref	AEAARN	CCCCOC(=O)c1ccc(O)cc1	in-man endogenous
CC(C)CCC[C@H](C)N	ZINC000001634312	29/07/36/351290736	QNIVIMYXGGFTAK-QMMMGPOBSA-N	1	129.247	AE	2.16	0	Anodyne	ref	AEAARO	CC(C)CCC[C@H](C)[NH3+]	in-man
O=C(CCCl)c1ccccc1	ZINC000001669834	18/36/29/560183629	KTJRGPZVSKWRTJ-UHFFFAOYSA-N	0	168.623	AE	2.498	0	Reactive	ref	AEGARN	O=C(CCCl)c1ccccc1	in-vitro
CSc1ccccc1NC(C)=O	ZINC000001672796	31/25/80/168312580	AMWFIKFWXRBICX-UHFFFAOYSA-N	0	181.26	AE	2.367	0	Anodyne	ref	AEAARN	CSc1ccccc1NC(C)=O	 
CNc1cccc(C)c1	ZINC000001699966	06/68/99/168066899	FBGJJTQNZVNEQU-UHFFFAOYSA-N	0	121.183	AE	2.037	0	Anodyne	ref	AEAARN	CNc1cccc(C)c1	 
CC1(C)CCC[C@@]2(C)OC(=O)C=C12	ZINC000002018181	96/69/32/342966932	IMKHDCBNRDRUEB-LLVKDONJSA-N	0	180.247	AE	2.438	0	Anodyne	ref	AEAARN	CC1(C)CCC[C@@]2(C)OC(=O)C=C12	in-man endogenous
O=c1[nH]c2cc(Cl)ccc2s1	ZINC000002528031	30/94/12/351309412	NOVHYVKPKWACML-UHFFFAOYSA-N	0	185.635	AE	2.243	0	Anodyne	ref	AEAARN	O=c1[nH]c2cc(Cl)ccc2s1	 
CCCC(CCC)C(=O)O	ZINC000003008621	88/44/23/519884423	NIJJYAXOARWZEE-UHFFFAOYSA-N	-1	144.214	AE	2.287	0	Anodyne	ref	AEAARM	CCCC(CCC)C(=O)[O-]	fda
CC(C)[C@H]1CC[C@@H](C)C[C@H]1O	ZINC000003831031	98/47/50/342984750	NOOLISFMXDJSKH-OPRDCNLKSA-N	0	156.269	AE	2.44	0	Anodyne	ref	AEAARN	CC(C)[C@H]1CC[C@@H](C)C[C@H]1O	in-man endogenous
CC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000003860730	26/99/66/166269966	BCVXYGJCDZPKGV-UHFFFAOYSA-N	0	193.29	AE	2.091	0	Anodyne	ref	AEAARN	CC(=O)NC12CC3CC(CC(C3)C1)C2	in-vitro
C=C(C)[C@@H]1CC=C(CO)CC1	ZINC000003861538	15/72/51/171157251	NDTYTMIUWGWIMO-SNVBAGLBSA-N	0	152.237	AE	2.281	0	Mild	ref	AEEARN	C=C(C)[C@@H]1CC=C(CO)CC1	world endogenous
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O	ZINC000003861695	98/53/85/342985385	NOOLISFMXDJSKH-BBBLOLIVSA-N	0	156.269	AE	2.44	0	Anodyne	ref	AEAARN	CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O	in-man endogenous
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	ZINC000004228277	98/95/62/342989562	NOOLISFMXDJSKH-UTLUCORTSA-N	0	156.269	AE	2.44	0	Anodyne	ref	AEAARN	CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O	in-man endogenous
C=C(C)[C@H]1CC=C(CO)CC1	ZINC000004521773	12/87/75/166128775	NDTYTMIUWGWIMO-JTQLQIEISA-N	0	152.237	AE	2.281	0	Mild	ref	AEEARN	C=C(C)[C@H]1CC=C(CO)CC1	world endogenous
CC[C@H](N)c1ccc(N(C)C)cc1C	ZINC000005140018	99/91/90/342999190	RRHXDYJWVYFMKV-LBPRGKRZSA-N	1	192.306	AE	2.471	0	Clean	ref	AECARO	CC[C@H]([NH3+])c1ccc(N(C)C)cc1C	 
CC[C@@H](N)c1ccc(N(C)C)cc1C	ZINC000005140120	99/92/15/342999215	RRHXDYJWVYFMKV-GFCCVEGCSA-N	1	192.306	AE	2.471	0	Clean	ref	AECARO	CC[C@@H]([NH3+])c1ccc(N(C)C)cc1C	 
Nc1nc2cc(Cl)ccc2o1	ZINC000008614810	30/67/16/169306716	YGCODSQDUUUKIV-UHFFFAOYSA-N	0	168.583	AE	2.063	0	Anodyne	ref	AEAARN	Nc1nc2cc(Cl)ccc2o1	world
Cc1[nH]c(C)c(Cl)c(=O)c1Cl	ZINC000008830661	69/83/93/168698393	ZDPIZLCVJAAHHR-UHFFFAOYSA-N	0	192.045	AE	2.299	0	Anodyne	ref	AEAARN	Cc1[nH]c(C)c(Cl)c(=O)c1Cl	in-man
C/C(O)=N\c1ccc(O)cc1	ZINC000013550868	59/74/22/325597422	RZVAJINKPMORJF-UHFFFAOYSA-N	0	151.165	AE	2.0	0	Mild	ref	AEEARN	CC(=O)Nc1ccc(O)cc1	fda
C=C(C)[C@@H]1CC=C(C)C(=O)C1	ZINC000014588455	59/73/06/325597306	ULDHMXUKGWMISQ-SECBINFHSA-N	0	150.221	AE	2.488	0	Mild	ref	AEEARN	C=C(C)[C@@H]1CC=C(C)C(=O)C1	in-man endogenous
Oc1ccc(O[C@@H]2CCCCO2)cc1	ZINC000036404734	45/65/84/351456584	GFBCWCDNXDKFRH-LLVKDONJSA-N	0	194.23	AE	2.298	0	Anodyne	ref	AEAARN	Oc1ccc(O[C@@H]2CCCCO2)cc1	in-vitro
Oc1ccc(O[C@H]2CCCCO2)cc1	ZINC000036404735	45/81/17/169458117	GFBCWCDNXDKFRH-NSHDSACASA-N	0	194.23	AE	2.298	0	Anodyne	ref	AEAARN	Oc1ccc(O[C@H]2CCCCO2)cc1	in-vitro
Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12	ZINC000100076738	71/06/06/343710606	LBBJNGFCXDOYMQ-UHFFFAOYSA-N	0	198.225	AE	2.318	0	Anodyne	ref	AEABRN	Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12	in-vitro biogenic