O=C(O)c1ccccc1O	ZINC000000001554	99/09/84/170990984	YGSDEFSMJLZEOE-UHFFFAOYSA-N	-1	138.122	AD	1.09	0	Anodyne	ref	ADAARM	O=C([O-])c1ccccc1O	fda metabolite
COC(=O)N=c1[nH]c2ccccc2[nH]1	ZINC000000043475	10/14/70/168101470	TWFZGCMQGLPBSX-UHFFFAOYSA-N	0	191.19	AD	1.163	0	Anodyne	ref	ADAARN	COC(=O)Nc1nc2ccccc2[nH]1	investigational endogenous
O=Cc1ccc(O)cc1	ZINC000000156709	41/09/60/574410960	RGHHSNMVTDWUBI-UHFFFAOYSA-N	0	122.123	AD	1.205	1	Anodyne	mid	ADAAMN	O=Cc1ccc(O)cc1	in-man endogenous
O=Cc1ccc(O)cc1	ZINC000000156709	41/09/59/574410959	RGHHSNMVTDWUBI-UHFFFAOYSA-N	-1	122.123	AD	1.205	0	Anodyne	ref	ADAARM	O=Cc1ccc([O-])cc1	in-man endogenous
COc1ccc(CC#N)cc1	ZINC000000157051	24/86/11/168248611	PACGLQCRGWFBJH-UHFFFAOYSA-N	0	147.177	AD	1.761	0	Mild	ref	ADEARN	COc1ccc(CC#N)cc1	in-vitro
O=C(O)Cc1noc2ccccc12	ZINC000000161692	34/51/90/169345190	BVSIAYQIMUUCRW-UHFFFAOYSA-N	-1	177.159	AD	1.455	0	Anodyne	ref	ADAARM	O=C([O-])Cc1noc2ccccc12	in-vitro
Oc1ccc2c(c1)OCO2	ZINC000000164504	45/80/30/169458030	LUSZGTFNYDARNI-UHFFFAOYSA-N	0	138.122	AD	1.121	0	Anodyne	ref	ADAARN	Oc1ccc2c(c1)OCO2	in-man endogenous
CCN(CC)CCCl	ZINC000001577143	18/26/18/560182618	YMDNODNLFSHHCV-UHFFFAOYSA-N	0	135.638	AD	1.567	3	Reactive	high	ADGAHN	CCN(CC)CCCl	in-vitro
CCN(CC)CCCl	ZINC000001577143	18/26/17/560182617	YMDNODNLFSHHCV-UHFFFAOYSA-N	1	135.638	AD	1.567	0	Reactive	ref	ADGARO	CC[NH+](CC)CCCl	in-vitro
COS(=O)(=O)c1ccccc1	ZINC000001666649	20/32/77/168203277	CZXGXYBOQYQXQD-UHFFFAOYSA-N	0	172.205	AD	1.022	0	Mild	ref	ADEARN	COS(=O)(=O)c1ccccc1	in-vitro
CCOS(=O)(=O)c1ccccc1	ZINC000001666652	29/22/27/351292227	XDRMBCMMABGNMM-UHFFFAOYSA-N	0	186.232	AD	1.412	0	Mild	ref	ADEARN	CCOS(=O)(=O)c1ccccc1	in-vitro
c1ccc2c(c1)cnn1cnnc21	ZINC000001705678	47/96/16/169479616	JVJPJKLSGUJUJK-UHFFFAOYSA-N	0	170.175	AD	1.277	0	Anodyne	ref	ADAARN	c1ccc2c(c1)cnn1cnnc21	in-vitro
Cc1nnc2c3ccccc3cnn12	ZINC000001705680	99/53/36/168995336	HAADZFBBHXCGLW-UHFFFAOYSA-N	0	184.202	AD	1.586	0	Anodyne	ref	ADAARN	Cc1nnc2c3ccccc3cnn12	in-vitro
O=C1Cc2ccccc2N1	ZINC000002020050	38/36/89/169383689	JYGFTBXVXVMTGB-UHFFFAOYSA-N	0	133.15	AD	1.181	0	Anodyne	ref	ADAARN	O=C1Cc2ccccc2N1	in-vitro
COc1ccccc1OCCN	ZINC000002025135	00/37/18/171003718	CKJRKLKVCHMWLV-UHFFFAOYSA-N	1	167.208	AD	1.033	0	Anodyne	ref	ADAARO	COc1ccccc1OCC[NH3+]	in-vitro
CN(C)Cc1nc(CCl)cs1	ZINC000002354615	18/68/06/560186806	BUDMJAMXOTXJAA-UHFFFAOYSA-N	1	190.699	AD	1.944	2	Reactive	low	ADGALO	C[NH+](C)Cc1nc(CCl)cs1	in-vitro
CN(C)Cc1nc(CCl)cs1	ZINC000002354615	18/68/05/560186805	BUDMJAMXOTXJAA-UHFFFAOYSA-N	0	190.699	AD	1.944	0	Reactive	ref	ADGARN	CN(C)Cc1nc(CCl)cs1	in-vitro
O=C(O)CC1(CS)CC1	ZINC000002524900	00/63/25/171006325	VFAXPOVKNPTBTM-UHFFFAOYSA-N	-1	146.211	AD	1.171	0	Mild	ref	ADEARM	O=C([O-])CC1(CS)CC1	in-vitro
c1cc2c(s1)CCNC2	ZINC000002553922	31/09/32/351310932	OGUWOLDNYOTRBO-UHFFFAOYSA-N	0	139.223	AD	1.394	3	Anodyne	high	ADAAHN	c1cc2c(s1)CCNC2	in-vitro
c1cc2c(s1)CCNC2	ZINC000002553922	31/09/26/351310926	OGUWOLDNYOTRBO-UHFFFAOYSA-N	1	139.223	AD	1.394	0	Anodyne	ref	ADAARO	c1cc2c(s1)CC[NH2+]C2	in-vitro
COCCc1ccc(O)cc1	ZINC000002566176	17/57/23/168175723	FAYGEALAEQKPDI-UHFFFAOYSA-N	0	152.193	AD	1.581	0	Anodyne	ref	ADAARN	COCCc1ccc(O)cc1	in-vitro
COc1ccnc(CCl)c1OC	ZINC000002578003	18/82/82/560188282	ZWFCXDBCXGDDOM-UHFFFAOYSA-N	0	187.626	AD	1.838	0	Reactive	ref	ADGARN	COc1ccnc(CCl)c1OC	in-vitro
CCCCc1nc(Cl)c(CO)[nH]1	ZINC000004692810	93/30/81/166933081	DXSZKDOOHOBZMT-UHFFFAOYSA-N	0	188.658	AD	1.898	0	Anodyne	ref	ADAARN	CCCCc1nc(Cl)c(CO)[nH]1	in-vitro
COc1ccc(CCN(C)C)cc1	ZINC000005957989	24/92/30/168249230	BGSZBHCYLIHECZ-UHFFFAOYSA-N	1	179.263	AD	1.799	0	Anodyne	ref	ADAARO	COc1ccc(CC[NH+](C)C)cc1	in-vitro
COC(CCCCl)OC	ZINC000005997614	20/41/71/560204171	LTLKJYMNUSSFAH-UHFFFAOYSA-N	0	152.621	AD	1.624	0	Reactive	ref	ADGARN	COC(CCCCl)OC	in-vitro
N[C@@H](CCc1ccccc1)C(=O)O	ZINC000008075874	24/49/63/169244963	JTTHKOPSMAVJFE-VIFPVBQESA-N	0	179.219	AD	1.031	0	Anodyne	ref	ADAARN	[NH3+][C@@H](CCc1ccccc1)C(=O)[O-]	in-vivo
N[C@H](CCc1ccccc1)C(=O)O	ZINC000008075875	26/56/44/169265644	JTTHKOPSMAVJFE-SECBINFHSA-N	0	179.219	AD	1.031	0	Anodyne	ref	ADAARN	[NH3+][C@H](CCc1ccccc1)C(=O)[O-]	in-vivo
CCCC	ZINC000008214510	01/76/74/343017674	IJDNQMDRQITEOD-UHFFFAOYSA-N	0	58.124	AD	1.806	0	Anodyne	ref	ADAARN	CCCC	in-man
NC1CCCCC1	ZINC000012358775	02/49/33/171024933	PAFZNILMFXTMIY-UHFFFAOYSA-N	1	99.177	AD	1.278	0	Anodyne	ref	ADAARO	[NH3+]C1CCCCC1	investigational endogenous
C[C@H](O)C(=O)c1cccc(Cl)c1	ZINC000013534339	37/02/76/351370276	PRVHLTNNKRCHGO-LURJTMIESA-N	0	184.622	AD	1.903	0	Anodyne	ref	ADAARN	C[C@H](O)C(=O)c1cccc(Cl)c1	in-vitro
CCc1ncncc1F	ZINC000016158265	78/27/09/167782709	AYZDRTRWCASUFO-UHFFFAOYSA-N	0	126.134	AD	1.178	0	Anodyne	ref	ADAARN	CCc1ncncc1F	in-vitro
CN(C)CC[C@H](O)c1cccs1	ZINC000021297816	07/51/34/343075134	XWCNSHMHUZCRLN-QMMMGPOBSA-N	0	185.292	AD	1.733	3	Anodyne	high	ADAAHN	CN(C)CC[C@H](O)c1cccs1	in-vitro
CN(C)CC[C@H](O)c1cccs1	ZINC000021297816	07/51/29/343075129	XWCNSHMHUZCRLN-QMMMGPOBSA-N	1	185.292	AD	1.733	0	Anodyne	ref	ADAARO	C[NH+](C)CC[C@H](O)c1cccs1	in-vitro
CC(=O)[C@H](O)c1cccc(Cl)c1	ZINC000034076088	30/92/96/166309296	HTTAEBUFKZSUKE-VIFPVBQESA-N	0	184.622	AD	1.962	0	Anodyne	ref	ADAARN	CC(=O)[C@H](O)c1cccc(Cl)c1	in-vitro
CC(=O)[C@@H](O)c1cccc(Cl)c1	ZINC000034076089	29/83/13/166298313	HTTAEBUFKZSUKE-SECBINFHSA-N	0	184.622	AD	1.962	0	Anodyne	ref	ADAARN	CC(=O)[C@@H](O)c1cccc(Cl)c1	in-vitro
C[C@H](N)C(=O)c1cccc(Cl)c1	ZINC000088330330	67/12/76/343671276	RDWWHMAISJGIDU-LURJTMIESA-N	0	183.638	AD	1.87	1	Anodyne	mid	ADAAMN	C[C@H](N)C(=O)c1cccc(Cl)c1	in-vitro
C[C@H](N)C(=O)c1cccc(Cl)c1	ZINC000088330330	67/12/74/343671274	RDWWHMAISJGIDU-LURJTMIESA-N	1	183.638	AD	1.87	0	Anodyne	ref	ADAARO	C[C@H]([NH3+])C(=O)c1cccc(Cl)c1	in-vitro
C[C@@H](N)C(=O)c1cccc(Cl)c1	ZINC000088330331	36/03/96/168360396	RDWWHMAISJGIDU-ZCFIWIBFSA-N	0	183.638	AD	1.87	1	Anodyne	mid	ADAAMN	C[C@@H](N)C(=O)c1cccc(Cl)c1	in-vitro
C[C@@H](N)C(=O)c1cccc(Cl)c1	ZINC000088330331	36/03/92/168360392	RDWWHMAISJGIDU-ZCFIWIBFSA-N	1	183.638	AD	1.87	0	Anodyne	ref	ADAARO	C[C@@H]([NH3+])C(=O)c1cccc(Cl)c1	in-vitro
Oc1nc2ccccc2[nH]1	ZINC000100004891	14/31/27/171143127	SILNNFMWIMZVEQ-UHFFFAOYSA-N	0	134.138	AD	1.268	0	Anodyne	ref	ADAARN	O=c1[nH]c2ccccc2[nH]1	in-vitro
C[C@@H](O)C(=O)c1cccc(Cl)c1	ZINC000100070539	38/70/13/168387013	PRVHLTNNKRCHGO-ZCFIWIBFSA-N	0	184.622	AD	1.903	0	Anodyne	ref	ADAARN	C[C@@H](O)C(=O)c1cccc(Cl)c1	in-vitro