Cc1sc(N)c(C(N)=O)c1C	ZINC000000032153	01/57/55/169015755	ZKXSEMXZKAQARN-UHFFFAOYSA-N	0	170.237	AD	1.046	0	Anodyne	ref	ADAARN	Cc1sc(N)c(C(N)=O)c1C	 
COc1ccc(/C=C/[N+](=O)[O-])cc1O	ZINC000000033958	24/50/49/168245049	QGCVJPGJBCRIEV-SNAWJCMRSA-N	0	195.174	AD	1.648	0	Anodyne	ref	ADAARN	COc1ccc(/C=C/[N+](=O)[O-])cc1O	 
NC(=O)c1c(N)sc2c1CCCC2	ZINC000000035817	16/40/05/169164005	FFAKFORHXDNYEN-UHFFFAOYSA-N	0	196.275	AD	1.308	0	Anodyne	ref	ADAARN	NC(=O)c1c(N)sc2c1CCCC2	 
Cc1n[nH]c(C)c1Br	ZINC000000035824	92/44/64/342924464	RISOHYOEPYWKOB-UHFFFAOYSA-N	0	175.029	AD	1.789	0	Anodyne	ref	ADAARN	Cc1n[nH]c(C)c1Br	 
Cc1n[nH]c(C)c1Cl	ZINC000000035825	92/38/43/168923843	JGTUBTJLRQIMAB-UHFFFAOYSA-N	0	130.578	AD	1.68	0	Anodyne	ref	ADAARN	Cc1n[nH]c(C)c1Cl	 
Nc1nc(C2CC2)cs1	ZINC000000036924	30/45/23/169304523	FGPNVCRMNYEMEP-UHFFFAOYSA-N	0	140.211	AD	1.603	0	Anodyne	ref	ADAARN	Nc1nc(C2CC2)cs1	 
COC(=O)c1cc(C)sc1N	ZINC000000038759	12/85/40/168128540	GHPDMFBHITXJAZ-UHFFFAOYSA-N	0	171.221	AD	1.425	0	Anodyne	ref	ADAARN	COC(=O)c1cc(C)sc1N	 
O=C(O)COc1ccccc1[N+](=O)[O-]	ZINC000000043872	34/21/55/169342155	TYHHDWAHJRRYCU-UHFFFAOYSA-N	-1	197.146	AD	1.058	0	Bother	ref	ADBARM	O=C([O-])COc1ccccc1[N+](=O)[O-]	in-vitro
COc1ccc(-c2nnc(N)o2)cc1	ZINC000000043879	24/29/51/168242951	IEJVXWOVBNWQCY-UHFFFAOYSA-N	0	191.19	AD	1.327	0	Anodyne	ref	ADAARN	COc1ccc(-c2nnc(N)o2)cc1	 
CCc1ccc(OCC(=O)O)cc1	ZINC000000047638	92/49/41/342924941	WVELHLIHMYYZAT-UHFFFAOYSA-N	-1	180.203	AD	1.712	0	Anodyne	ref	ADAARM	CCc1ccc(OCC(=O)[O-])cc1	 
COC(=O)CCN1CCCCC1	ZINC000000050803	08/71/65/168087165	ANAJGIRVGQSWEN-UHFFFAOYSA-N	1	171.24	AD	1.035	0	Anodyne	ref	ADAARO	COC(=O)CC[NH+]1CCCCC1	 
CC(C)c1nnc(N)s1	ZINC000000059747	92/55/23/342925523	IGBPZWZBEPBBTR-UHFFFAOYSA-N	0	143.215	AD	1.244	0	Anodyne	ref	ADAARN	CC(C)c1nnc(N)s1	 
COc1ccc(O[C@@H](C)C(=O)O)cc1	ZINC000000073632	25/66/66/168256666	MIEKOFWWHVOKQX-ZETCQYMHSA-N	-1	196.202	AD	1.547	0	Anodyne	ref	ADAARM	COc1ccc(O[C@@H](C)C(=O)[O-])cc1	in-man endogenous
COc1ccc(O[C@H](C)C(=O)O)cc1	ZINC000000073634	25/69/33/168256933	MIEKOFWWHVOKQX-SSDOTTSWSA-N	-1	196.202	AD	1.547	0	Anodyne	ref	ADAARM	COc1ccc(O[C@H](C)C(=O)[O-])cc1	in-man endogenous
O=C(O)COc1ccc([N+](=O)[O-])cc1	ZINC000000078021	34/21/11/169342111	AVDLFIONKHGQAP-UHFFFAOYSA-N	-1	197.146	AD	1.058	0	Bother	ref	ADBARM	O=C([O-])COc1ccc([N+](=O)[O-])cc1	 
COc1ccc(OCC(=O)O)cc1	ZINC000000078023	25/66/71/168256671	BHFSBJHPPFJCOS-UHFFFAOYSA-N	-1	182.175	AD	1.159	0	Anodyne	ref	ADAARM	COc1ccc(OCC(=O)[O-])cc1	 
NCCc1nc2ccccc2[nH]1	ZINC000000080438	20/08/47/169200847	GJEPMYMUORZPMP-UHFFFAOYSA-N	1	161.208	AD	1.064	0	Anodyne	ref	ADAARO	[NH3+]CCc1nc2ccccc2[nH]1	 
Cc1ccccc1OCC(=O)O	ZINC000000080893	92/57/63/342925763	QJVXBRUGKLCUMY-UHFFFAOYSA-N	-1	166.176	AD	1.458	0	Anodyne	ref	ADAARM	Cc1ccccc1OCC(=O)[O-]	 
Cc1ccc(OCC(=O)O)cc1C	ZINC000000084182	92/62/30/342926230	GIEQJKZWTIFEJM-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1ccc(OCC(=O)[O-])cc1C	 
Cc1ccc(OCC(=O)O)cc1	ZINC000000084957	82/97/72/168829772	SFTDDFBJWUWKMN-UHFFFAOYSA-N	-1	166.176	AD	1.458	0	Anodyne	ref	ADAARM	Cc1ccc(OCC(=O)[O-])cc1	 
O=C(O)CSc1ccccn1	ZINC000000090808	34/24/30/169342430	IGJFLPNTKLFHMW-UHFFFAOYSA-N	-1	169.205	AD	1.258	0	Anodyne	ref	ADAARM	O=C([O-])CSc1ccccn1	 
COCc1cc(C=O)ccc1OC	ZINC000000096513	19/35/46/168193546	SSPSDHKFVVPEOE-UHFFFAOYSA-N	0	180.203	AD	1.654	0	Anodyne	ref	ADAARN	COCc1cc(C=O)ccc1OC	 
O=[N+]([O-])/C=C/c1ccsc1	ZINC000000101093	26/97/63/351269763	BKLSHYMRBHFIAN-HNQUOIGGSA-N	0	155.178	AD	1.995	0	Bother	ref	ADBARN	O=[N+]([O-])/C=C/c1ccsc1	 
N=C(N)c1ccccc1Cl	ZINC000000110578	14/12/91/169141291	MXVMRHIWTSFDPU-UHFFFAOYSA-N	1	154.6	AD	1.624	0	Anodyne	ref	ADAARO	NC(=[NH2+])c1ccccc1Cl	 
O=C(O)CCc1cc(Cl)no1	ZINC000000112524	33/89/84/169338984	ZGQBVKLPCMHTEI-UHFFFAOYSA-N	-1	175.571	AD	1.345	0	Anodyne	ref	ADAARM	O=C([O-])CCc1cc(Cl)no1	 
COC(=O)c1ccsc1N	ZINC000000115816	13/52/40/168135240	DGGJQLCAYQCPDD-UHFFFAOYSA-N	0	157.194	AD	1.117	0	Clean	ref	ADCARN	COC(=O)c1ccsc1N	 
O=C(O)COc1ccccc1Cl	ZINC000000117582	34/16/88/169341688	OPQYFNRLWBWCST-UHFFFAOYSA-N	-1	186.594	AD	1.803	0	Anodyne	ref	ADAARM	O=C([O-])COc1ccccc1Cl	 
NCc1nc2ccccc2[nH]1	ZINC000000119677	23/02/71/169230271	UCOSRTUSVXHIMK-UHFFFAOYSA-N	0	147.181	AD	1.022	1	Anodyne	mid	ADAAMN	NCc1nc2ccccc2[nH]1	 
NCc1nc2ccccc2[nH]1	ZINC000000119677	23/02/69/169230269	UCOSRTUSVXHIMK-UHFFFAOYSA-N	1	147.181	AD	1.022	0	Anodyne	ref	ADAARO	[NH3+]Cc1nc2ccccc2[nH]1	 
Cc1ccc(OCC(=O)O)c(C)c1	ZINC000000123148	82/97/58/168829758	XRTZHWXWLUGOAT-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1ccc(OCC(=O)[O-])c(C)c1	 
CCOC(=O)c1c(C)nsc1N	ZINC000000126361	36/57/06/167365706	ZDGBWOZFPKNORL-UHFFFAOYSA-N	0	186.236	AD	1.21	0	Anodyne	ref	ADAARN	CCOC(=O)c1c(C)nsc1N	 
N=C(N)c1ccc(Cl)cc1	ZINC000000126846	14/13/73/169141373	LFCUMSZYMJRUHD-UHFFFAOYSA-N	1	154.6	AD	1.624	0	Anodyne	ref	ADAARO	NC(=[NH2+])c1ccc(Cl)cc1	 
Nc1ccc(C(=O)N2CCCC2)cc1	ZINC000000128107	29/17/55/169291755	WDNQOCWBZBGFHU-UHFFFAOYSA-N	0	190.246	AD	1.505	0	Anodyne	ref	ADAARN	Nc1ccc(C(=O)N2CCCC2)cc1	 
COc1ccc2[nH]c(C(=O)O)cc2c1	ZINC000000135687	59/51/65/325595165	YEBJVSLNUMZXRJ-UHFFFAOYSA-N	-1	191.186	AD	1.875	0	Anodyne	ref	ADAARM	COc1ccc2[nH]c(C(=O)[O-])cc2c1	in-vitro
Cc1ccc(C)c(OCC(=O)O)c1	ZINC000000142182	92/82/53/342928253	RSJMMLSDGNQOEO-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1ccc(C)c(OCC(=O)[O-])c1	 
COc1ccccc1OCC(=O)O	ZINC000000143613	92/81/84/342928184	IHONYPFTXGQWAX-UHFFFAOYSA-N	-1	182.175	AD	1.159	0	Anodyne	ref	ADAARM	COc1ccccc1OCC(=O)[O-]	 
Cc1ccc(C(=O)O)s1	ZINC000000152267	92/80/98/342928098	VCNGNQLPFHVODE-UHFFFAOYSA-N	-1	142.179	AD	1.755	0	Anodyne	ref	ADAARM	Cc1ccc(C(=O)[O-])s1	 
COc1ccc(NC(C)=O)c(N)c1	ZINC000000152505	25/43/12/168254312	VUJSQJDPBROTSY-UHFFFAOYSA-N	0	180.207	AD	1.236	0	Anodyne	ref	ADAARN	COc1ccc(NC(C)=O)c(N)c1	 
Cc1cccc(OCC(=O)O)c1C	ZINC000000153562	92/86/23/342928623	AVDBMBYECMTQJQ-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1cccc(OCC(=O)[O-])c1C	 
Cc1cc(C(=O)O)c(C)o1	ZINC000000158518	92/97/81/342929781	CNTHHNPBADVTRY-UHFFFAOYSA-N	-1	140.138	AD	1.595	0	Anodyne	ref	ADAARM	Cc1cc(C(=O)[O-])c(C)o1	 
Brc1ccncc1	ZINC000000158596	00/90/63/166009063	BSDGZUDFPKIYQG-UHFFFAOYSA-N	0	157.998	AD	1.844	0	Anodyne	ref	ADAARN	Brc1ccncc1	in-vitro
OCc1nc2ccccc2[nH]1	ZINC000000158650	44/04/68/169440468	IAJLTMBBAVVMQO-UHFFFAOYSA-N	0	148.165	AD	1.055	0	Anodyne	ref	ADAARN	OCc1nc2ccccc2[nH]1	in-vitro
O=C(O)c1ccc(-n2ccnc2)cc1	ZINC000000158888	35/79/36/169357936	LFIDZIWWYNTQOQ-UHFFFAOYSA-N	0	188.186	AD	1.57	2	Anodyne	low	ADAALN	O=C([O-])c1ccc(-n2cc[nH+]c2)cc1	 
O=C(O)c1ccc(-n2ccnc2)cc1	ZINC000000158888	35/79/35/169357935	LFIDZIWWYNTQOQ-UHFFFAOYSA-N	-1	188.186	AD	1.57	0	Anodyne	ref	ADAARM	O=C([O-])c1ccc(-n2ccnc2)cc1	 
N#Cc1ccsc1N	ZINC000000159971	12/83/79/169128379	XVGHZFWFGXDIOU-UHFFFAOYSA-N	0	124.168	AD	1.202	0	Mild	ref	ADEARN	N#Cc1ccsc1N	 
Nc1cccc2nsnc12	ZINC000000161237	29/77/43/169297743	DRLGIZIAMHIQHL-UHFFFAOYSA-N	0	151.194	AD	1.274	0	Anodyne	ref	ADAARN	Nc1cccc2nsnc12	in-vitro
CCOc1cc(C=O)ccc1OC	ZINC000000161583	41/08/45/167410845	VAMZHXWLGRQSJS-UHFFFAOYSA-N	0	180.203	AD	1.906	0	Anodyne	ref	ADAARN	CCOc1cc(C=O)ccc1OC	in-vitro
CCOc1cccc(C=O)c1	ZINC000000163359	27/24/56/351272456	QZMGMXBYJZVAJN-UHFFFAOYSA-N	0	150.177	AD	1.898	0	Anodyne	ref	ADAARN	CCOc1cccc(C=O)c1	 
CCc1cc(C(=O)OC)c(N)s1	ZINC000000163960	93/05/64/342930564	YFGOHKLTZXZUPH-UHFFFAOYSA-N	0	185.248	AD	1.679	0	Anodyne	ref	ADAARN	CCc1cc(C(=O)OC)c(N)s1	 
COc1cc(C=O)ccc1OC(C)=O	ZINC000000166877	41/09/54/574410954	PZSJOBKRSVRODF-UHFFFAOYSA-N	0	194.186	AD	1.433	0	Anodyne	ref	ADAARN	COc1cc(C=O)ccc1OC(C)=O	in-man endogenous
O=C(O)c1ccc(OC(F)F)cc1	ZINC000000167196	35/82/86/169358286	BSNNYLYELGBSBA-UHFFFAOYSA-N	-1	188.129	AD	1.986	0	Anodyne	ref	ADAARM	O=C([O-])c1ccc(OC(F)F)cc1	 
Nc1ccc(OC(F)F)cc1	ZINC000000167204	29/22/93/169292293	NDEZTSHWEPQVBX-UHFFFAOYSA-N	0	159.135	AD	1.87	0	Clean	ref	ADCARN	Nc1ccc(OC(F)F)cc1	 
O=Cc1cnc2ccccc2n1	ZINC000000241385	27/44/13/351274413	UJEHWLFUEQHEEZ-UHFFFAOYSA-N	0	158.16	AD	1.442	0	Anodyne	ref	ADAARN	O=Cc1cnc2ccccc2n1	in-vitro
COC(=O)c1sc(N)c(C#N)c1C	ZINC000000256501	13/87/31/168138731	PDDIXJQTRLVRCG-UHFFFAOYSA-N	0	196.231	AD	1.297	0	Mild	ref	ADEARN	COC(=O)c1sc(N)c(C#N)c1C	 
O=C1NCCN1Cc1ccccc1F	ZINC000000257745	38/59/41/169385941	HSFHHBMXLUGNAF-UHFFFAOYSA-N	0	194.209	AD	1.351	0	Anodyne	ref	ADAARN	O=C1NCCN1Cc1ccccc1F	 
O=C(O)COc1ccccc1F	ZINC000000262409	34/24/99/169342499	CEAXCCNKYPOHDP-UHFFFAOYSA-N	-1	170.139	AD	1.289	0	Anodyne	ref	ADAARM	O=C([O-])COc1ccccc1F	 
C[C@H](Oc1ccccc1)C(=O)O	ZINC000000265135	58/80/04/168588004	SXERGJJQSKIUIC-ZETCQYMHSA-N	-1	166.176	AD	1.538	0	Anodyne	ref	ADAARM	C[C@H](Oc1ccccc1)C(=O)[O-]	 
C[C@@H](Oc1ccccc1)C(=O)O	ZINC000000265136	40/27/29/168402729	SXERGJJQSKIUIC-SSDOTTSWSA-N	-1	166.176	AD	1.538	0	Anodyne	ref	ADAARM	C[C@@H](Oc1ccccc1)C(=O)[O-]	 
COc1ccccc1O[C@@H](C)C(=O)O	ZINC000000265139	93/25/08/342932508	OPYAFQUFAKCNPN-ZETCQYMHSA-N	-1	196.202	AD	1.547	0	Anodyne	ref	ADAARM	COc1ccccc1O[C@@H](C)C(=O)[O-]	 
COc1ccccc1O[C@H](C)C(=O)O	ZINC000000265140	93/24/12/342932412	OPYAFQUFAKCNPN-SSDOTTSWSA-N	-1	196.202	AD	1.547	0	Anodyne	ref	ADAARM	COc1ccccc1O[C@H](C)C(=O)[O-]	 
c1cc(CNC[C@H]2CCCO2)ccn1	ZINC000000266009	27/46/50/351274650	PPTBAWQVKOPXIY-LLVKDONJSA-N	0	192.262	AD	1.35	3	Anodyne	high	ADAAHN	c1cc(CNC[C@H]2CCCO2)ccn1	 
c1cc(CNC[C@H]2CCCO2)ccn1	ZINC000000266009	27/46/48/351274648	PPTBAWQVKOPXIY-LLVKDONJSA-N	1	192.262	AD	1.35	0	Anodyne	ref	ADAARO	c1cc(C[NH2+]C[C@H]2CCCO2)ccn1	 
c1cc(CNC[C@@H]2CCCO2)ccn1	ZINC000000266017	27/46/78/351274678	PPTBAWQVKOPXIY-NSHDSACASA-N	0	192.262	AD	1.35	3	Anodyne	high	ADAAHN	c1cc(CNC[C@@H]2CCCO2)ccn1	 
c1cc(CNC[C@@H]2CCCO2)ccn1	ZINC000000266017	27/46/76/351274676	PPTBAWQVKOPXIY-NSHDSACASA-N	1	192.262	AD	1.35	0	Anodyne	ref	ADAARO	c1cc(C[NH2+]C[C@@H]2CCCO2)ccn1	 
Nc1ccc(CN2CCCC2)cc1	ZINC000000266960	29/13/05/169291305	SFEAIUCOZWDYMJ-UHFFFAOYSA-N	1	176.263	AD	1.865	0	Clean	ref	ADCARO	Nc1ccc(C[NH+]2CCCC2)cc1	 
COc1ccc([C@H](C)N)cc1	ZINC000000295627	26/00/29/168260029	JTDGKQNNPKXKII-ZETCQYMHSA-N	1	151.209	AD	1.715	0	Anodyne	ref	ADAARO	COc1ccc([C@H](C)[NH3+])cc1	 
COc1ccc([C@@H](C)N)cc1	ZINC000000295628	25/56/54/168255654	JTDGKQNNPKXKII-SSDOTTSWSA-N	1	151.209	AD	1.715	0	Anodyne	ref	ADAARO	COc1ccc([C@@H](C)[NH3+])cc1	 
COc1ccc([C@H](C)N)cc1OC	ZINC000000296164	25/90/71/168259071	OEPFPKVWOOSTBV-ZETCQYMHSA-N	1	181.235	AD	1.724	0	Anodyne	ref	ADAARO	COc1ccc([C@H](C)[NH3+])cc1OC	 
COc1ccc([C@@H](C)N)cc1OC	ZINC000000296167	25/62/65/168256265	OEPFPKVWOOSTBV-SSDOTTSWSA-N	1	181.235	AD	1.724	0	Anodyne	ref	ADAARO	COc1ccc([C@@H](C)[NH3+])cc1OC	 
O=C(O)c1ccc(CN2CCCC2)o1	ZINC000000316391	35/73/71/169357371	XMFACEUEFDPCDJ-UHFFFAOYSA-N	-1	195.218	AD	1.574	3	Anodyne	high	ADAAHM	O=C([O-])c1ccc(CN2CCCC2)o1	 
O=C(O)c1ccc(CN2CCCC2)o1	ZINC000000316391	35/73/69/169357369	XMFACEUEFDPCDJ-UHFFFAOYSA-N	0	195.218	AD	1.574	0	Anodyne	ref	ADAARN	O=C([O-])c1ccc(C[NH+]2CCCC2)o1	 
O=C(O)C#Cc1ccccc1	ZINC000000332026	93/35/19/342933519	XNERWVPQCYSMLC-UHFFFAOYSA-N	-1	146.145	AD	1.123	0	Mild	ref	ADEARM	O=C([O-])C#Cc1ccccc1	world metabolite
COC(=O)c1c(N)sc(C)c1C	ZINC000000335399	12/70/68/168127068	MZBOBUPJGXDOFT-UHFFFAOYSA-N	0	185.248	AD	1.734	0	Anodyne	ref	ADAARN	COC(=O)c1c(N)sc(C)c1C	 
C[C@H](N)c1ccc(F)cc1	ZINC000000388326	93/56/33/342935633	QGCLEUGNYRXBMZ-LURJTMIESA-N	1	139.173	AD	1.845	0	Anodyne	ref	ADAARO	C[C@H]([NH3+])c1ccc(F)cc1	 
C[C@@H](N)c1ccc(F)cc1	ZINC000000388327	37/07/13/168370713	QGCLEUGNYRXBMZ-ZCFIWIBFSA-N	1	139.173	AD	1.845	0	Anodyne	ref	ADAARO	C[C@@H]([NH3+])c1ccc(F)cc1	 
O=C(O)CNc1ccccc1	ZINC000000389534	93/59/29/342935929	NPKSPKHJBVJUKB-UHFFFAOYSA-N	-1	151.165	AD	1.183	0	Anodyne	ref	ADAARM	O=C([O-])CNc1ccccc1	in-vitro
C[C@H]1CCCC[C@H]1C(=O)O	ZINC000000389535	93/60/37/342936037	VSKXJRZPVDLHFY-NKWVEPMBSA-N	-1	142.198	AD	1.897	0	Anodyne	ref	ADAARM	C[C@H]1CCCC[C@H]1C(=O)[O-]	 
C[C@@H]1CCCC[C@H]1C(=O)O	ZINC000000389536	27/78/07/351277807	VSKXJRZPVDLHFY-RNFRBKRXSA-N	-1	142.198	AD	1.897	0	Anodyne	ref	ADAARM	C[C@@H]1CCCC[C@H]1C(=O)[O-]	 
C[C@H]1CCCC[C@@H]1C(=O)O	ZINC000000389537	93/59/84/342935984	VSKXJRZPVDLHFY-BQBZGAKWSA-N	-1	142.198	AD	1.897	0	Anodyne	ref	ADAARM	C[C@H]1CCCC[C@@H]1C(=O)[O-]	 
C[C@@H]1CCCC[C@@H]1C(=O)O	ZINC000000389538	27/77/52/351277752	VSKXJRZPVDLHFY-RQJHMYQMSA-N	-1	142.198	AD	1.897	0	Anodyne	ref	ADAARM	C[C@@H]1CCCC[C@@H]1C(=O)[O-]	 
C[C@H]1CCC[C@H](C(=O)O)C1	ZINC000000389541	93/59/41/342935941	CIFSKZDQGRCLBN-BQBZGAKWSA-N	-1	142.198	AD	1.897	0	Anodyne	ref	ADAARM	C[C@H]1CCC[C@H](C(=O)[O-])C1	 
C[C@@H]1CCC[C@H](C(=O)O)C1	ZINC000000389542	42/60/83/168426083	CIFSKZDQGRCLBN-RQJHMYQMSA-N	-1	142.198	AD	1.897	0	Anodyne	ref	ADAARM	C[C@@H]1CCC[C@H](C(=O)[O-])C1	 
CC1CCC(C(=O)O)CC1	ZINC000000389543	93/60/82/342936082	QTDXSEZXAPHVBI-UHFFFAOYSA-N	-1	142.198	AD	1.897	0	Anodyne	ref	ADAARM	CC1CCC(C(=O)[O-])CC1	 
Cc1ccccc1NCC(=O)O	ZINC000000390155	93/63/04/342936304	DYPOHVRBXIPFIK-UHFFFAOYSA-N	-1	165.192	AD	1.492	0	Anodyne	ref	ADAARM	Cc1ccccc1NCC(=O)[O-]	 
Cc1cccc(OCC(=O)O)c1	ZINC000000393770	87/17/08/168871708	VZECTCSEONQIPP-UHFFFAOYSA-N	-1	166.176	AD	1.458	0	Anodyne	ref	ADAARM	Cc1cccc(OCC(=O)[O-])c1	 
Cc1cc(C)cc(OCC(=O)O)c1	ZINC000000394321	74/54/55/168745455	NIPZZANLNKBKIS-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1cc(C)cc(OCC(=O)[O-])c1	 
COc1cccc2c1CCC2=O	ZINC000000395531	27/48/59/168274859	BTYSYELHQDGJAB-UHFFFAOYSA-N	0	162.188	AD	1.824	0	Anodyne	ref	ADAARN	COc1cccc2c1CCC2=O	 
CCNc1ccccc1C(=O)O	ZINC000000397404	31/10/35/167311035	SPEGUNZOHLFGCL-UHFFFAOYSA-N	-1	165.192	AD	1.817	0	Anodyne	ref	ADAARM	CCNc1ccccc1C(=O)[O-]	 
CCOc1cccc(C(=O)O)c1	ZINC000000403460	28/00/72/351280072	DTFQMPQJMDEWKJ-UHFFFAOYSA-N	-1	166.176	AD	1.783	0	Anodyne	ref	ADAARM	CCOc1cccc(C(=O)[O-])c1	in-vitro
CCC(=O)Nc1cccc(N)c1	ZINC000000404200	93/84/79/342938479	VGDKCRMZIWPMPW-UHFFFAOYSA-N	0	164.208	AD	1.617	0	Anodyne	ref	ADAARN	CCC(=O)Nc1cccc(N)c1	 
O=C(O)COc1ccc(F)cc1	ZINC000000404253	34/23/60/169342360	ZBIULCVFFJJYTN-UHFFFAOYSA-N	-1	170.139	AD	1.289	0	Anodyne	ref	ADAARM	O=C([O-])COc1ccc(F)cc1	 
CCOC(=O)[C@H]1CC[C@@H](C)CC1=O	ZINC000000404402	36/18/43/167361843	FFVHHWOJYFCNJP-SFYZADRCSA-N	0	184.235	AD	1.555	0	Anodyne	ref	ADAARN	CCOC(=O)C1=C(O)C[C@H](C)CC1	 
CCOC(=O)[C@@H]1CC[C@@H](C)CC1=O	ZINC000000404403	35/49/89/167354989	FFVHHWOJYFCNJP-HTQZYQBOSA-N	0	184.235	AD	1.555	0	Anodyne	ref	ADAARN	CCOC(=O)C1=C(O)C[C@H](C)CC1	 
CCOC(=O)[C@H]1CC[C@H](C)CC1=O	ZINC000000404404	36/44/63/167364463	FFVHHWOJYFCNJP-YUMQZZPRSA-N	0	184.235	AD	1.555	0	Anodyne	ref	ADAARN	CCOC(=O)C1=C(O)C[C@@H](C)CC1	 
CCc1c(C)sc(N)c1C(=O)OC	ZINC000000439063	72/04/84/167720484	ODDNCALHGKYZJB-UHFFFAOYSA-N	0	199.275	AD	1.988	0	Anodyne	ref	ADAARN	CCc1c(C)sc(N)c1C(=O)OC	 
N=C(O)[C@H]1CCCCC1=O	ZINC000000499399	14/33/75/169143375	VEJFDOHDNHTOHW-YFKPBYRVSA-N	0	141.17	AD	1.281	0	Anodyne	ref	ADAARN	NC(=O)[C@H]1CCCCC1=O	 
N=C(O)[C@@H]1CCCCC1=O	ZINC000000499400	14/24/27/169142427	VEJFDOHDNHTOHW-RXMQYKEDSA-N	0	141.17	AD	1.281	0	Anodyne	ref	ADAARN	NC(=O)[C@@H]1CCCCC1=O	 
Nc1ccccc1OC(F)F	ZINC000000528010	29/86/35/169298635	CGNAIUUCOVWLLL-UHFFFAOYSA-N	0	159.135	AD	1.87	0	Anodyne	ref	ADAARN	Nc1ccccc1OC(F)F	 
O=Cc1cnn(-c2ccccc2)c1	ZINC000000555935	40/66/78/169406678	PHVRLPFVPVKYOI-UHFFFAOYSA-N	0	172.187	AD	1.685	0	Anodyne	ref	ADAARN	O=Cc1cnn(-c2ccccc2)c1	 
Cc1ccccc1O[C@@H](C)C(=O)O	ZINC000000556191	94/06/72/342940672	YIGXGYDKDDWZLS-QMMMGPOBSA-N	-1	180.203	AD	1.847	0	Anodyne	ref	ADAARM	Cc1ccccc1O[C@@H](C)C(=O)[O-]