NC[C@H](CC(=O)O)c1ccc(Cl)cc1	ZINC000000000061	59/58/58/386595858	KPYSYYIEGFHWSV-QMMMGPOBSA-N	0	213.664	BD	1.857	0	Anodyne	ref	BDAARN	[NH3+]C[C@H](CC(=O)[O-])c1ccc(Cl)cc1	fda
Nc1ncnc(Nc2ccc(Cl)cc2)n1	ZINC000000001116	80/79/53/181807953	YRZQHIVOIFJEEE-UHFFFAOYSA-N	0	221.651	BD	1.851	0	Anodyne	ref	BDAARN	Nc1ncnc(Nc2ccc(Cl)cc2)n1	in-man
c1coc(CNc2ncnc3[nH]cnc23)c1	ZINC000000001601	66/92/91/342669291	QANMHLXAZMSUEX-UHFFFAOYSA-N	0	215.216	BD	1.558	1	Anodyne	mid	BDAAMN	c1coc(CNc2ncnc3[nH]cnc23)c1	world endogenous
c1coc(CNc2ncnc3[nH]cnc23)c1	ZINC000000001601	66/92/90/342669290	QANMHLXAZMSUEX-UHFFFAOYSA-N	0	215.216	BD	1.558	0	Anodyne	ref	BDAARN	c1coc(CNc2ncnc3nc[nH]c23)c1	world endogenous
CCOC(=O)Cn1nc(C(F)(F)F)cc1C	ZINC000000027744	23/80/94/170238094	OYQJSLHHRPECLL-UHFFFAOYSA-N	0	236.193	BD	1.773	0	Anodyne	ref	BDAARN	CCOC(=O)Cn1nc(C(F)(F)F)cc1C	 
COc1ccccc1NC(=O)c1cc[nH]n1	ZINC000000028521	33/72/32/175337232	BKMBTJGJVAOPOF-UHFFFAOYSA-N	0	217.228	BD	1.671	0	Anodyne	ref	BDAARN	COc1ccccc1NC(=O)c1cc[nH]n1	 
CCOc1ccc(NC(=O)CCC(=O)O)cc1	ZINC000000031533	55/09/26/170550926	YXCPMPAALKOYQA-UHFFFAOYSA-N	-1	237.255	BD	1.889	0	Anodyne	ref	BDAARM	CCOc1ccc(NC(=O)CCC(=O)[O-])cc1	 
CCOC(=O)c1cnn(-c2ccccc2)c1N	ZINC000000035796	30/37/47/170303747	AYJIUOZKKTUKKD-UHFFFAOYSA-N	0	231.255	BD	1.631	0	Anodyne	ref	BDAARN	CCOC(=O)c1cnn(-c2ccccc2)c1N	aggregator
C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21	ZINC000000037830	81/98/05/383819805	ZUPHXNBLQCSEIA-CPCISQLKSA-N	0	230.267	BD	1.828	0	Anodyne	ref	BDAARN	C[C@@H]1[NH2+][C@H](C(=O)[O-])Cc2c1[nH]c1ccccc21	in-man endogenous
C[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21	ZINC000000037831	27/24/83/188272483	ZUPHXNBLQCSEIA-HQJQHLMTSA-N	0	230.267	BD	1.828	0	Anodyne	ref	BDAARN	C[C@H]1[NH2+][C@H](C(=O)[O-])Cc2c1[nH]c1ccccc21	in-man endogenous
C[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21	ZINC000000037832	81/92/09/383819209	ZUPHXNBLQCSEIA-WRWORJQWSA-N	0	230.267	BD	1.828	0	Anodyne	ref	BDAARN	C[C@@H]1[NH2+][C@@H](C(=O)[O-])Cc2c1[nH]c1ccccc21	in-man endogenous
C[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21	ZINC000000037833	98/89/64/187988964	ZUPHXNBLQCSEIA-RDDDGLTNSA-N	0	230.267	BD	1.828	0	Anodyne	ref	BDAARN	C[C@H]1[NH2+][C@@H](C(=O)[O-])Cc2c1[nH]c1ccccc21	in-man endogenous
Cc1ccc(NC(=O)CCC(=O)O)cc1	ZINC000000038387	67/06/58/342670658	OHHAQFFMXQEGMP-UHFFFAOYSA-N	-1	207.229	BD	1.798	0	Anodyne	ref	BDAARM	Cc1ccc(NC(=O)CCC(=O)[O-])cc1	in-vitro biogenic
O=C(O)[C@H]1CS[C@@H](c2ccccc2)N1	ZINC000000040086	67/09/07/342670907	AZDYQBFYMBALBY-BDAKNGLRSA-N	0	209.27	BD	1.475	2	Anodyne	low	BDAALN	O=C([O-])[C@H]1CS[C@@H](c2ccccc2)[NH2+]1	 
O=C(O)[C@H]1CS[C@@H](c2ccccc2)N1	ZINC000000040086	67/09/06/342670906	AZDYQBFYMBALBY-BDAKNGLRSA-N	-1	209.27	BD	1.475	0	Anodyne	ref	BDAARM	O=C([O-])[C@H]1CS[C@@H](c2ccccc2)N1	 
O=C(O)[C@H]1CS[C@H](c2ccccc2)N1	ZINC000000040087	67/09/34/342670934	AZDYQBFYMBALBY-RKDXNWHRSA-N	0	209.27	BD	1.475	2	Anodyne	low	BDAALN	O=C([O-])[C@H]1CS[C@H](c2ccccc2)[NH2+]1	 
O=C(O)[C@H]1CS[C@H](c2ccccc2)N1	ZINC000000040087	67/09/33/342670933	AZDYQBFYMBALBY-RKDXNWHRSA-N	-1	209.27	BD	1.475	0	Anodyne	ref	BDAARM	O=C([O-])[C@H]1CS[C@H](c2ccccc2)N1	 
O=C(O)[C@@H]1CS[C@@H](c2ccccc2)N1	ZINC000000040088	67/09/67/342670967	AZDYQBFYMBALBY-IUCAKERBSA-N	0	209.27	BD	1.475	2	Anodyne	low	BDAALN	O=C([O-])[C@@H]1CS[C@@H](c2ccccc2)[NH2+]1	 
O=C(O)[C@@H]1CS[C@@H](c2ccccc2)N1	ZINC000000040088	67/09/66/342670966	AZDYQBFYMBALBY-IUCAKERBSA-N	-1	209.27	BD	1.475	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CS[C@@H](c2ccccc2)N1	 
O=C(O)[C@@H]1CS[C@H](c2ccccc2)N1	ZINC000000040089	67/10/90/342671090	AZDYQBFYMBALBY-DTWKUNHWSA-N	0	209.27	BD	1.475	2	Anodyne	low	BDAALN	O=C([O-])[C@@H]1CS[C@H](c2ccccc2)[NH2+]1	 
O=C(O)[C@@H]1CS[C@H](c2ccccc2)N1	ZINC000000040089	67/10/88/342671088	AZDYQBFYMBALBY-DTWKUNHWSA-N	-1	209.27	BD	1.475	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CS[C@H](c2ccccc2)N1	 
O=C1Nc2ccccc2C(=O)N2CCC[C@@H]12	ZINC000000040627	82/00/33/383820033	MXBNEEHQIDLPLQ-JTQLQIEISA-N	0	216.24	BD	1.243	0	Anodyne	ref	BDAARN	O=C1Nc2ccccc2C(=O)N2CCC[C@@H]12	 
O=C1Nc2ccccc2C(=O)N2CCC[C@H]12	ZINC000000040628	81/92/86/383819286	MXBNEEHQIDLPLQ-SNVBAGLBSA-N	0	216.24	BD	1.243	0	Anodyne	ref	BDAARN	O=C1Nc2ccccc2C(=O)N2CCC[C@H]12	in-vitro biogenic
CCOc1ccc(C(=O)O)cc1[N+](=O)[O-]	ZINC000000043837	06/03/17/344060317	GZHXYRWGRKIXEJ-UHFFFAOYSA-N	-1	211.173	BD	1.692	0	Bother	ref	BDBARM	CCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	 
Cc1ccc(C(N)=O)cc1Br	ZINC000000045937	45/76/42/178457642	HAUIONXDUJDQSK-UHFFFAOYSA-N	0	214.062	BD	1.856	0	Anodyne	ref	BDAARN	Cc1ccc(C(N)=O)cc1Br	 
Cc1ccc(C#N)c(SCC(=O)O)n1	ZINC000000052930	36/67/60/178366760	QYCYSQBOJXUZOE-UHFFFAOYSA-N	-1	208.242	BD	1.438	0	Mild	ref	BDEARM	Cc1ccc(C#N)c(SCC(=O)[O-])n1	 
COc1ccccc1N1C(=O)C=CC1=O	ZINC000000053012	33/59/14/175335914	LJDGDRYFCIHDPX-UHFFFAOYSA-N	0	203.197	BD	1.125	0	Anodyne	ref	BDAARN	COc1ccccc1N1C(=O)C=CC1=O	 
O=C(O)[C@@H]1CS[C@@H](c2cccc(O)c2)N1	ZINC000000053467	67/16/15/342671615	FJKZSYINEIIGCM-IUCAKERBSA-N	0	225.269	BD	1.18	2	Anodyne	low	BDAALN	O=C([O-])[C@@H]1CS[C@@H](c2cccc(O)c2)[NH2+]1	 
O=C(O)[C@@H]1CS[C@@H](c2cccc(O)c2)N1	ZINC000000053467	67/16/13/342671613	FJKZSYINEIIGCM-IUCAKERBSA-N	-1	225.269	BD	1.18	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CS[C@@H](c2cccc(O)c2)N1	 
O=C(O)[C@@H]1CS[C@H](c2cccc(O)c2)N1	ZINC000000053468	67/15/03/342671503	FJKZSYINEIIGCM-DTWKUNHWSA-N	0	225.269	BD	1.18	2	Anodyne	low	BDAALN	O=C([O-])[C@@H]1CS[C@H](c2cccc(O)c2)[NH2+]1	 
O=C(O)[C@@H]1CS[C@H](c2cccc(O)c2)N1	ZINC000000053468	67/15/02/342671502	FJKZSYINEIIGCM-DTWKUNHWSA-N	-1	225.269	BD	1.18	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CS[C@H](c2cccc(O)c2)N1	 
O=C(O)/C=C/C(=O)Nc1ccc(F)cc1	ZINC000000053889	67/16/46/342671646	NRDZVHHPNZDWRA-AATRIKPKSA-N	-1	209.176	BD	1.405	0	Anodyne	ref	BDAARM	O=C([O-])/C=C/C(=O)Nc1ccc(F)cc1	 
O=C(O)/C=C/C(=O)Nc1cccc(Cl)c1	ZINC000000053893	82/22/30/383822230	VGCOUGYIWJRLKT-SNAWJCMRSA-N	-1	225.631	BD	1.919	0	Anodyne	ref	BDAARM	O=C([O-])/C=C/C(=O)Nc1cccc(Cl)c1	 
CCOC(=O)c1cocc1C(=O)OCC	ZINC000000056429	82/14/78/383821478	ZODFWNHYQARJLC-UHFFFAOYSA-N	0	212.201	BD	1.633	0	Anodyne	ref	BDAARN	CCOC(=O)c1cocc1C(=O)OCC	 
COc1ccc2c(CC(=O)O)cc(=O)oc2c1	ZINC000000056577	20/50/36/175205036	ZEKAXIFHLIITGV-UHFFFAOYSA-N	-1	234.207	BD	1.429	0	Anodyne	ref	BDAARM	COc1ccc2c(CC(=O)[O-])cc(=O)oc2c1	in-vitro
Cc1cc(=O)oc2cc(OCC(=O)O)ccc12	ZINC000000056673	67/19/62/342671962	SGCOMUOACCXIKH-UHFFFAOYSA-N	-1	234.207	BD	1.565	0	Anodyne	ref	BDAARM	Cc1cc(=O)oc2cc(OCC(=O)[O-])ccc12	 
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21	ZINC000000057421	15/73/66/172157366	MHWLWQUZZRMNGJ-UHFFFAOYSA-N	0	232.239	BD	1.423	2	Anodyne	low	BDAALN	CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21	world
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21	ZINC000000057421	15/73/61/172157361	MHWLWQUZZRMNGJ-UHFFFAOYSA-N	-1	232.239	BD	1.423	0	Anodyne	ref	BDAARM	CCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21	world
CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1	ZINC000000057562	67/21/59/342672159	JWOHBPPVVDQMKB-UHFFFAOYSA-N	-1	229.276	BD	1.718	0	Anodyne	ref	BDAARM	CC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC1	 
O=C(O)C[C@@H]1Sc2ccccc2NC1=O	ZINC000000058250	82/20/96/383822096	QWXLTZQRYJBZQT-QMMMGPOBSA-N	-1	223.253	BD	1.574	0	Anodyne	ref	BDAARM	O=C([O-])C[C@@H]1Sc2ccccc2NC1=O	 
Cc1ccccc1NC(=O)CCC(=O)O	ZINC000000065323	29/78/20/179297820	JGLMJUORSRRINV-UHFFFAOYSA-N	-1	207.229	BD	1.798	0	Anodyne	ref	BDAARM	Cc1ccccc1NC(=O)CCC(=O)[O-]	 
O=C(O)COCc1nc2ccccc2[nH]1	ZINC000000070243	82/11/89/383821189	QQCDVGPTWGIYAK-UHFFFAOYSA-N	-1	206.201	BD	1.164	0	Anodyne	ref	BDAARM	O=C([O-])COCc1nc2ccccc2[nH]1	 
O=C1C=CC(=O)N1CCc1ccccc1	ZINC000000071274	67/26/44/342672644	YDGBGLKCFQULNS-UHFFFAOYSA-N	0	201.225	BD	1.154	0	Anodyne	ref	BDAARN	O=C1C=CC(=O)N1CCc1ccccc1	 
Cc1ccc(NC(=O)/C=C/C(=O)O)cc1C	ZINC000000072321	82/09/97/383820997	BKCZXPVWUVICKC-AATRIKPKSA-N	-1	219.24	BD	1.883	0	Anodyne	ref	BDAARM	Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1C	 
CCOC(=O)c1cc(C(F)(F)F)[nH]n1	ZINC000000077581	29/18/27/170291827	AKFFNTKRAYWFRN-UHFFFAOYSA-N	-1	208.139	BD	1.605	3	Anodyne	high	BDAAHM	CCOC(=O)c1cc(C(F)(F)F)[n-]n1	 
CCOC(=O)c1cc(C(F)(F)F)[nH]n1	ZINC000000077581	29/18/25/170291825	AKFFNTKRAYWFRN-UHFFFAOYSA-N	-1	208.139	BD	1.605	3	Anodyne	high	BDAAHM	CCOC(=O)c1cc(C(F)(F)F)n[n-]1	 
CCOC(=O)c1cc(C(F)(F)F)[nH]n1	ZINC000000077581	29/18/23/170291823	AKFFNTKRAYWFRN-UHFFFAOYSA-N	0	208.139	BD	1.605	0	Anodyne	ref	BDAARN	CCOC(=O)c1cc(C(F)(F)F)[nH]n1	 
COC(=O)c1cncc(Br)c1	ZINC000000077849	67/31/19/342673119	AAJZXPWBILCHAW-UHFFFAOYSA-N	0	216.034	BD	1.631	0	Anodyne	ref	BDAARN	COC(=O)c1cncc(Br)c1	 
Cc1ccc(N2C(=O)C=CC2=O)c(C)c1	ZINC000000078204	67/29/97/342672997	LWFUFCYGHRBLDH-UHFFFAOYSA-N	0	201.225	BD	1.733	0	Anodyne	ref	BDAARN	Cc1ccc(N2C(=O)C=CC2=O)c(C)c1	 
COC(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000000078207	82/36/68/383823668	UFSVRHNRNVVBJR-UHFFFAOYSA-N	0	223.253	BD	1.517	0	Anodyne	ref	BDAARN	COC(=O)c1ccc2c(c1)NC(=O)CS2	 
COC(=O)Cc1cc(=O)oc2cc(O)ccc12	ZINC000000079405	24/33/58/344243358	YRNMDWOVAZLMDY-UHFFFAOYSA-N	-1	234.207	BD	1.214	1	Anodyne	mid	BDAAMM	COC(=O)Cc1cc(=O)oc2cc([O-])ccc12	 
COC(=O)Cc1cc(=O)oc2cc(O)ccc12	ZINC000000079405	24/33/51/344243351	YRNMDWOVAZLMDY-UHFFFAOYSA-N	0	234.207	BD	1.214	0	Anodyne	ref	BDAARN	COC(=O)Cc1cc(=O)oc2cc(O)ccc12	 
CCOC(=O)c1cnc(N)nc1C(F)(F)F	ZINC000000081967	30/14/37/170301437	OUACXMUEZBQRBJ-UHFFFAOYSA-N	0	235.165	BD	1.254	0	Anodyne	ref	BDAARN	CCOC(=O)c1cnc(N)nc1C(F)(F)F	 
O=C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000000084545	31/25/94/132312594	YUEKZMYUVRHVQM-UHFFFAOYSA-N	0	219.24	BD	1.585	0	Clean	ref	BDCARN	O=C1CCN(c2ccc3c(c2)OCO3)CC1	 
CCOC(=O)c1csc(NC(C)=O)n1	ZINC000000084591	30/62/69/170306269	RJJRNCMTKFEYCB-UHFFFAOYSA-N	0	214.246	BD	1.278	0	Anodyne	ref	BDAARN	CCOC(=O)c1csc(NC(C)=O)n1	 
O=C(O)[C@@H]1CS[C@@H](c2ccc(O)cc2)N1	ZINC000000085488	67/36/73/342673673	TWPYJYQNZHPNGQ-IUCAKERBSA-N	0	225.269	BD	1.18	2	Anodyne	low	BDAALN	O=C([O-])[C@@H]1CS[C@@H](c2ccc(O)cc2)[NH2+]1	 
O=C(O)[C@@H]1CS[C@@H](c2ccc(O)cc2)N1	ZINC000000085488	67/36/71/342673671	TWPYJYQNZHPNGQ-IUCAKERBSA-N	-1	225.269	BD	1.18	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CS[C@@H](c2ccc(O)cc2)N1	 
O=C(O)[C@@H]1CS[C@H](c2ccc(O)cc2)N1	ZINC000000085490	67/37/42/342673742	TWPYJYQNZHPNGQ-DTWKUNHWSA-N	0	225.269	BD	1.18	2	Anodyne	low	BDAALN	O=C([O-])[C@@H]1CS[C@H](c2ccc(O)cc2)[NH2+]1	 
O=C(O)[C@@H]1CS[C@H](c2ccc(O)cc2)N1	ZINC000000085490	67/37/41/342673741	TWPYJYQNZHPNGQ-DTWKUNHWSA-N	-1	225.269	BD	1.18	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CS[C@H](c2ccc(O)cc2)N1	 
NC[C@@H](CC(=O)O)c1ccc(Cl)cc1	ZINC000000085733	59/90/62/386599062	KPYSYYIEGFHWSV-MRVPVSSYSA-N	0	213.664	BD	1.857	0	Anodyne	ref	BDAARN	[NH3+]C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	fda
N=C(N)NC(=N)Nc1cccc(Cl)c1Cl	ZINC000000089377	18/86/52/181188652	VBICEVQOHHQRLY-UHFFFAOYSA-N	2	246.101	BD	1.823	1	Anodyne	mid	BDAAMP	NC(=[NH2+])NC(=[NH2+])Nc1cccc(Cl)c1Cl	 
N=C(N)NC(=N)Nc1cccc(Cl)c1Cl	ZINC000000089377	18/86/51/181188651	VBICEVQOHHQRLY-UHFFFAOYSA-N	1	246.101	BD	1.823	0	Anodyne	ref	BDAARO	N=C(NC(N)=[NH2+])Nc1cccc(Cl)c1Cl	 
Nc1ncnc(Nc2ccc(F)cc2)n1	ZINC000000089384	82/48/97/383824897	CGCAZIWUCXRTKW-UHFFFAOYSA-N	0	205.196	BD	1.337	0	Anodyne	ref	BDAARN	Nc1ncnc(Nc2ccc(F)cc2)n1	 
CCc1ccccc1N1C(=O)C=CC1=O	ZINC000000089409	88/45/82/171884582	GZNWHPFWQMQXII-UHFFFAOYSA-N	0	201.225	BD	1.678	0	Anodyne	ref	BDAARN	CCc1ccccc1N1C(=O)C=CC1=O	 
Nc1ncnc(Nc2ccccc2Cl)n1	ZINC000000089429	80/76/24/181807624	KKDOZPQOEFYIRU-UHFFFAOYSA-N	0	221.651	BD	1.851	0	Anodyne	ref	BDAARN	Nc1ncnc(Nc2ccccc2Cl)n1	 
Cc1cccc(Nc2ncnc(N)n2)c1C	ZINC000000089469	16/08/58/179160858	IEISGTUKTKBXKT-UHFFFAOYSA-N	0	215.26	BD	1.814	0	Anodyne	ref	BDAARN	Cc1cccc(Nc2ncnc(N)n2)c1C	 
COc1ccc(OC)c(Nc2ncnc(N)n2)c1	ZINC000000089479	16/70/81/175167081	KUOKSIWFIGXZBI-UHFFFAOYSA-N	0	247.258	BD	1.215	0	Anodyne	ref	BDAARN	COc1ccc(OC)c(Nc2ncnc(N)n2)c1	 
COc1cc(Nc2ncnc(N)n2)cc(OC)c1	ZINC000000089529	67/38/55/342673855	RNNWPZQYCVISAL-UHFFFAOYSA-N	0	247.258	BD	1.215	0	Anodyne	ref	BDAARN	COc1cc(Nc2ncnc(N)n2)cc(OC)c1	 
Nc1ncnc(Nc2cccc(Cl)c2)n1	ZINC000000089555	82/42/22/383824222	VCOVYIZDTWXVSB-UHFFFAOYSA-N	0	221.651	BD	1.851	0	Anodyne	ref	BDAARN	Nc1ncnc(Nc2cccc(Cl)c2)n1	 
Nc1ncnc(Nc2cccc(F)c2)n1	ZINC000000089558	80/66/93/181806693	JKCGOWLLLHSYBN-UHFFFAOYSA-N	0	205.196	BD	1.337	0	Anodyne	ref	BDAARN	Nc1ncnc(Nc2cccc(F)c2)n1	 
COc1ccc(N2C(=O)C=CC2=O)cc1	ZINC000000092512	13/88/55/175138855	XAHCEMQKWSQGLQ-UHFFFAOYSA-N	0	203.197	BD	1.125	0	Anodyne	ref	BDAARN	COc1ccc(N2C(=O)C=CC2=O)cc1	 
N#Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1N	ZINC000000093026	16/17/82/181161782	XYSYYQMDXMZFDW-UHFFFAOYSA-N	0	229.199	BD	1.234	0	Mild	ref	BDEARN	N#Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1N	 
CC(=O)Nc1ccc(OCC(=O)O)cc1	ZINC000000093096	24/39/47/187243947	LYJCGBYEVXKOST-UHFFFAOYSA-N	-1	209.201	BD	1.108	0	Anodyne	ref	BDAARM	CC(=O)Nc1ccc(OCC(=O)[O-])cc1	 
c1ccc2[nH]c(N3CCOCC3)nc2c1	ZINC000000094717	82/67/03/383826703	DYERGUDBIQHVKO-UHFFFAOYSA-N	1	203.245	BD	1.399	2	Anodyne	low	BDAALO	c1ccc2[nH+]c(N3CCOCC3)[nH]c2c1	 
c1ccc2[nH]c(N3CCOCC3)nc2c1	ZINC000000094717	82/66/92/383826692	DYERGUDBIQHVKO-UHFFFAOYSA-N	0	203.245	BD	1.399	0	Anodyne	ref	BDAARN	c1ccc2[nH]c(N3CCOCC3)nc2c1	 
CN(C)/C=C/C(=O)c1cccc([N+](=O)[O-])c1	ZINC000000096072	35/10/25/172351025	CNGBILRLACOBKO-VOTSOKGWSA-N	0	220.228	BD	1.853	0	Mild	ref	BDEARN	CN(C)/C=C/C(=O)c1cccc([N+](=O)[O-])c1	 
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C=CC1=O	ZINC000000096800	32/83/50/344328350	UNJCZKYOAQGDIQ-UHFFFAOYSA-N	0	232.195	BD	1.333	0	Bother	ref	BDBARN	Cc1ccc([N+](=O)[O-])cc1N1C(=O)C=CC1=O	 
Cc1ccc(N2C(=O)C=CC2=O)cc1C	ZINC000000096850	67/41/12/342674112	QIFBMDXYCWMHJW-UHFFFAOYSA-N	0	201.225	BD	1.733	0	Anodyne	ref	BDAARN	Cc1ccc(N2C(=O)C=CC2=O)cc1C	 
CCOC(=O)c1ccc(N2C(=O)C=CC2=O)cc1	ZINC000000097117	29/60/40/170296040	DISBFDYIBYWYJZ-UHFFFAOYSA-N	0	245.234	BD	1.293	0	Anodyne	ref	BDAARN	CCOC(=O)c1ccc(N2C(=O)C=CC2=O)cc1	 
COc1cccc(N2C(=O)C=CC2=O)c1	ZINC000000097282	27/53/33/175275333	UNCUTNPWBZKJHD-UHFFFAOYSA-N	0	203.197	BD	1.125	0	Anodyne	ref	BDAARN	COc1cccc(N2C(=O)C=CC2=O)c1	 
CC(=O)c1ccc(N2C(=O)C=CC2=O)cc1	ZINC000000097536	82/78/34/383827834	ISGBKWSEHGAUNF-UHFFFAOYSA-N	0	215.208	BD	1.319	0	Anodyne	ref	BDAARN	CC(=O)c1ccc(N2C(=O)C=CC2=O)cc1	 
CCc1ccc(N2C(=O)C=CC2=O)cc1	ZINC000000097762	82/75/37/383827537	FHVHFKZQDVQILM-UHFFFAOYSA-N	0	201.225	BD	1.678	0	Anodyne	ref	BDAARN	CCc1ccc(N2C(=O)C=CC2=O)cc1	 
COc1ccc(N2C(=O)C=CC2=O)c(OC)c1	ZINC000000098145	13/88/72/175138872	FZOPHURHMRGGIY-UHFFFAOYSA-N	0	233.223	BD	1.133	0	Anodyne	ref	BDAARN	COc1ccc(N2C(=O)C=CC2=O)c(OC)c1	 
Cc1cccc(N2C(=O)C=CC2=O)c1C	ZINC000000098228	12/09/63/179120963	UOZNXGJVAWDLQK-UHFFFAOYSA-N	0	201.225	BD	1.733	0	Anodyne	ref	BDAARN	Cc1cccc(N2C(=O)C=CC2=O)c1C	 
Cc1ccc(C)c(N2C(=O)C=CC2=O)c1	ZINC000000098477	82/62/21/383826221	JTMRNNLDGAGYQJ-UHFFFAOYSA-N	0	201.225	BD	1.733	0	Anodyne	ref	BDAARN	Cc1ccc(C)c(N2C(=O)C=CC2=O)c1	 
O=C1C=CC(=O)N1c1ccc(F)c(Cl)c1	ZINC000000102123	67/43/35/342674335	MALVOABWAGKNIK-UHFFFAOYSA-N	0	225.606	BD	1.908	0	Anodyne	ref	BDAARN	O=C1C=CC(=O)N1c1ccc(F)c(Cl)c1	 
COc1ccc(Cl)cc1N1C(=O)C=CC1=O	ZINC000000102341	12/10/92/175121092	KRYUCWYKHXDVIC-UHFFFAOYSA-N	0	237.642	BD	1.778	0	Anodyne	ref	BDAARN	COc1ccc(Cl)cc1N1C(=O)C=CC1=O	 
COc1cc(OC)cc(N2C(=O)C=CC2=O)c1	ZINC000000102379	01/03/22/175010322	LKRMOUHRAYRRAA-UHFFFAOYSA-N	0	233.223	BD	1.133	0	Anodyne	ref	BDAARN	COc1cc(OC)cc(N2C(=O)C=CC2=O)c1	 
O=C1C=CC(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000000102567	40/48/19/344404819	CJENYVWFVWQVPS-UHFFFAOYSA-N	0	218.168	BD	1.024	0	Bother	ref	BDBARN	O=C1C=CC(=O)N1c1cccc([N+](=O)[O-])c1	 
CCN1CCC2(CC1)NC(=O)c1ccccc1O2	ZINC000000103698	67/47/88/342674788	CNRRVOZJQGQCND-UHFFFAOYSA-N	0	246.31	BD	1.621	3	Anodyne	high	BDAAHN	CCN1CCC2(CC1)NC(=O)c1ccccc1O2	 
CCN1CCC2(CC1)NC(=O)c1ccccc1O2	ZINC000000103698	67/47/85/342674785	CNRRVOZJQGQCND-UHFFFAOYSA-N	1	246.31	BD	1.621	0	Anodyne	ref	BDAARO	CC[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2	 
Cc1cc(C)cc(N2C(=O)C=CC2=O)c1	ZINC000000103789	90/53/42/177905342	PECLZIRCLUPWGS-UHFFFAOYSA-N	0	201.225	BD	1.733	0	Anodyne	ref	BDAARN	Cc1cc(C)cc(N2C(=O)C=CC2=O)c1	 
COc1ccc(OC)c(NC(=O)CS)c1	ZINC000000111853	27/24/79/188272479	MPEXTMWSTYMCQL-UHFFFAOYSA-N	0	227.285	BD	1.572	0	Mild	ref	BDEARN	COc1ccc(OC)c(NC(=O)CS)c1	 
CCOC(=O)c1nc(-c2cccs2)no1	ZINC000000115435	30/64/99/170306499	JTFIAJRCLMUKEB-UHFFFAOYSA-N	0	224.241	BD	1.975	0	Anodyne	ref	BDAARN	CCOC(=O)c1nc(-c2cccs2)no1	 
CC(=O)c1ccc(N2CCOCC2)cc1	ZINC000000119313	31/25/74/132312574	AKQWEDMTPCAESO-UHFFFAOYSA-N	0	205.257	BD	1.726	0	Anodyne	ref	BDAARN	CC(=O)c1ccc(N2CCOCC2)cc1	 
Cc1c(C=O)c(=O)n(-c2ccccc2)n1C	ZINC000000119347	67/54/09/342675409	QFYZFYDOEJZMDX-UHFFFAOYSA-N	0	216.24	BD	1.297	0	Anodyne	ref	BDAARN	Cc1c(C=O)c(=O)n(-c2ccccc2)n1C	in-vitro
COc1ccc(C(=O)/C=C/N(C)C)cc1	ZINC000000126223	05/17/32/175051732	FXNAUCNJLHEGGF-CMDGGOBGSA-N	0	205.257	BD	1.953	0	Mild	ref	BDEARN	COc1ccc(C(=O)/C=C/N(C)C)cc1	 
CCOC(=O)c1nnn(Cc2ccccc2)c1N	ZINC000000129134	30/96/28/170309628	WPALUGLYRHXNGX-UHFFFAOYSA-N	0	246.27	BD	1.085	0	Anodyne	ref	BDAARN	CCOC(=O)c1nnn(Cc2ccccc2)c1N	 
CCOc1ccccc1N1C(=O)C=CC1=O	ZINC000000131766	59/44/85/170594485	RRXDDBJMCPRNNO-UHFFFAOYSA-N	0	217.224	BD	1.515	0	Anodyne	ref	BDAARN	CCOc1ccccc1N1C(=O)C=CC1=O	 
C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)O	ZINC000000133271	02/32/13/177023213	IUZWIMVGNUDMDH-ZETCQYMHSA-N	-1	234.207	BD	1.645	0	Anodyne	ref	BDAARM	C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)[O-]