Nc1ccc(C(=O)N2CCCCC2)cc1	ZINC000000045801	69/98/51/181699851	FQEGZNLIOFLYNI-UHFFFAOYSA-N	0	204.273	BD	1.895	0	Anodyne	ref	BDAARN	Nc1ccc(C(=O)N2CCCCC2)cc1	 
O=C(O)CCC(=O)N1CCCc2ccccc21	ZINC000000068581	31/25/12/132312512	DNKIZDFFMHNPNH-UHFFFAOYSA-N	-1	233.267	BD	1.831	0	Anodyne	ref	BDAARM	O=C([O-])CCC(=O)N1CCCc2ccccc21	 
Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000128944	67/61/07/342676107	ZTTBIWZAAMPNBE-UHFFFAOYSA-N	0	240.328	BD	1.443	0	Anodyne	ref	BDAARN	Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	 
O=C(O)/C=C/c1cc2cccc3c2n(c1=O)CC3	ZINC000000154333	41/18/50/182411850	LCYDDSSZZRFPCM-SNAWJCMRSA-N	-1	241.246	BD	1.655	0	Anodyne	ref	BDAARM	O=C([O-])/C=C/c1cc2cccc3c2n(c1=O)CC3	 
O=Cc1cc2cccc3c2n(c1=O)CCC3	ZINC000000154341	83/69/53/383836953	FPZDNTSHNYEKBC-UHFFFAOYSA-N	0	213.236	BD	1.76	0	Anodyne	ref	BDAARN	O=Cc1cc2cccc3c2n(c1=O)CCC3	 
O=C(O)c1cc2cccc3c2n(c1=O)CCC3	ZINC000000154343	55/99/65/182559965	HMCFZIUMULQCRT-UHFFFAOYSA-N	-1	229.235	BD	1.646	0	Anodyne	ref	BDAARM	O=C([O-])c1cc2cccc3c2n(c1=O)CCC3	 
O=c1c(CO)cc2cccc3c2n1CCC3	ZINC000000154344	67/78/35/342677835	IEMXDQUCFFPIEV-UHFFFAOYSA-N	0	215.252	BD	1.44	0	Anodyne	ref	BDAARN	O=c1c(CO)cc2cccc3c2n1CCC3	 
O=C(O)C[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1	ZINC000000156545	47/52/88/182475288	HGBMGRXIQJGDDO-MRVPVSSYSA-N	-2	239.183	BD	1.238	0	Bother	ref	BDBARL	O=C([O-])C[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	 
O=C(O)C[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1	ZINC000000156546	26/37/09/385263709	HGBMGRXIQJGDDO-QMMMGPOBSA-N	-2	239.183	BD	1.238	0	Bother	ref	BDBARL	O=C([O-])C[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	 
Cc1nc2ccc(C(=O)O)cc2nc1C	ZINC000000159055	08/90/98/180089098	RCACNAWRFYUKLC-UHFFFAOYSA-N	-1	202.213	BD	1.945	0	Anodyne	ref	BDAARM	Cc1nc2ccc(C(=O)[O-])cc2nc1C	 
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C=C2	ZINC000000162014	94/09/95/182940995	ZRRGOUHITGRLBA-UHFFFAOYSA-N	0	211.198	BD	1.353	0	Bother	ref	BDBARN	O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C=C2	in-vitro
O=C(O)CSCC(=O)Nc1ccccc1	ZINC000000168609	83/85/43/383838543	ABHZTPDZBMDHPI-UHFFFAOYSA-N	-1	225.269	BD	1.443	0	Anodyne	ref	BDAARM	O=C([O-])CSCC(=O)Nc1ccccc1	 
Cc1ccc(NC(=O)CSCC(=O)O)cc1	ZINC000000168611	67/88/98/342678898	RXHIHKOQEFDAFN-UHFFFAOYSA-N	-1	239.296	BD	1.751	0	Anodyne	ref	BDAARM	Cc1ccc(NC(=O)CSCC(=O)[O-])cc1	 
O=C(O)c1ccc(N2CCCC2=O)cc1	ZINC000000257699	68/12/74/342681274	YDKWTEYRNMUJKC-UHFFFAOYSA-N	-1	205.213	BD	1.512	0	Anodyne	ref	BDAARM	O=C([O-])c1ccc(N2CCCC2=O)cc1	 
Cc1cccc(NC2=NC(N)=NC(C)(C)N2)c1	ZINC000000269202	81/26/38/345812638	FTOZHDVIBQNOEF-UHFFFAOYSA-N	2	231.303	BD	1.417	1	Anodyne	mid	BDABMP	Cc1cccc(NC2=[NH+]C(C)(C)NC(=[NH2+])N2)c1	 
Cc1cccc(NC2=NC(N)=NC(C)(C)N2)c1	ZINC000000269202	81/26/36/345812636	FTOZHDVIBQNOEF-UHFFFAOYSA-N	1	231.303	BD	1.417	1	Anodyne	mid	BDABMO	Cc1cccc(NC2=[NH+]C(C)(C)NC(=N)N2)c1	 
Cc1cccc(NC2=NC(N)=NC(C)(C)N2)c1	ZINC000000269202	81/26/34/345812634	FTOZHDVIBQNOEF-UHFFFAOYSA-N	1	231.303	BD	1.417	0	Anodyne	ref	BDABRO	Cc1cccc(NC2=NC(C)(C)NC(=[NH2+])N2)c1	 
COc1ncnc(OC)c1Br	ZINC000000330909	85/40/49/383854049	XBALMYGYANOULM-UHFFFAOYSA-N	0	219.038	BD	1.256	0	Anodyne	ref	BDAARN	COc1ncnc(OC)c1Br	 
CC(=O)Nc1ccc(Br)cn1	ZINC000000343408	09/92/50/188099250	MJFCOXATGBYERZ-UHFFFAOYSA-N	0	215.05	BD	1.802	0	Anodyne	ref	BDAARN	CC(=O)Nc1ccc(Br)cn1	 
O=C(O)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000000347460	49/03/60/182490360	KNCGDIHMXCSJDC-UHFFFAOYSA-N	-1	215.592	BD	1.875	0	Bother	ref	BDBARM	O=C([O-])Cc1cc([N+](=O)[O-])ccc1Cl	 
O=C(O)CSCc1nc2ccccc2[nH]1	ZINC000000394828	86/33/97/383863397	BLUMZAJRPJMXSA-UHFFFAOYSA-N	-1	222.269	BD	1.881	0	Anodyne	ref	BDAARM	O=C([O-])CSCc1nc2ccccc2[nH]1	 
COc1cc(Br)cc(CO)c1O	ZINC000000470708	86/97/36/383869736	UBLQIISPEAEAIX-UHFFFAOYSA-N	0	233.061	BD	1.656	0	Anodyne	ref	BDAARN	COc1cc(Br)cc(CO)c1O	 
O=C(O)C1=NN(c2ccccc2)C(=O)CC1	ZINC000001426679	31/41/91/132314191	YVKMCSMHVJNAAM-UHFFFAOYSA-N	-1	218.212	BD	1.254	0	Anodyne	ref	BDAARM	O=C([O-])C1=NN(c2ccccc2)C(=O)CC1	 
O=Cc1ccc2cccc([N+](=O)[O-])c2n1	ZINC000001526690	68/98/91/386689891	QFMSLUNYDZHKBD-UHFFFAOYSA-N	0	202.169	BD	1.956	0	Bother	ref	BDBARN	O=Cc1ccc2cccc([N+](=O)[O-])c2n1	 
N#Cc1cc2cccc3c2n(c1=O)CCC3	ZINC000001741200	09/37/62/181093762	XQUIDPSHXPJCIB-UHFFFAOYSA-N	0	210.236	BD	1.819	0	Mild	ref	BDEARN	N#Cc1cc2cccc3c2n(c1=O)CCC3	 
Cc1ccc(O)c(C(=O)CCC(=O)O)c1	ZINC000002163730	78/42/22/178784222	NUMGKJNSGGELIA-UHFFFAOYSA-N	-1	208.213	BD	1.748	0	Anodyne	ref	BDAARM	Cc1ccc(O)c(C(=O)CCC(=O)[O-])c1	 
CC(C)(C)OC(=O)NC(C)(C)C(=O)O	ZINC000002168674	65/94/09/166659409	MFNXWZGIFWJHMI-UHFFFAOYSA-N	-1	203.238	BD	1.374	0	Anodyne	ref	BDAARM	CC(C)(C)OC(=O)NC(C)(C)C(=O)[O-]	 
O=C1C[C@H](C(=O)O)Oc2ccc(F)cc21	ZINC000002243253	71/73/62/342717362	BWXXHZKFLLLJQP-SECBINFHSA-N	-1	210.16	BD	1.244	0	Anodyne	ref	BDAARM	O=C1C[C@H](C(=O)[O-])Oc2ccc(F)cc21	in-vitro
CCn1ncc(Br)c1C(=O)O	ZINC000002389250	24/54/30/187245430	QBZXHFRMFOYDSR-UHFFFAOYSA-N	-1	219.038	BD	1.364	0	Anodyne	ref	BDAARM	CCn1ncc(Br)c1C(=O)[O-]	 
CC1=NC(=O)[C@](C)(c2ccc(F)cc2)N1	ZINC000002524462	84/26/59/388842659	IOIVETLCJMISBC-NSHDSACASA-N	0	206.22	BD	1.589	0	Anodyne	ref	BDABRN	CC1=NC(=O)[C@](C)(c2ccc(F)cc2)N1	 
Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1	ZINC000002548749	72/39/02/342723902	ABNPNGOJWAZAGV-UHFFFAOYSA-N	0	247.279	BD	1.723	0	Anodyne	ref	BDAARN	Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1	 
O=Cc1ccc(N2CCC(O)CC2)cc1	ZINC000002563693	31/50/42/132315042	XORVVRSWELVXLH-UHFFFAOYSA-N	0	205.257	BD	1.46	0	Anodyne	ref	BDAARN	O=Cc1ccc(N2CCC(O)CC2)cc1	 
COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1	ZINC000003882498	03/06/83/175030683	VHWPBROOEIJLIW-UHFFFAOYSA-N	-1	218.212	BD	1.783	0	Anodyne	ref	BDAARM	COc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1	 
O=c1c(CO)cc2cccc3c2n1CC3	ZINC000003882758	73/88/99/342738899	PWJAYANXDGZILN-UHFFFAOYSA-N	0	201.225	BD	1.05	0	Anodyne	ref	BDAARN	O=c1c(CO)cc2cccc3c2n1CC3	 
COc1ccc2c(c1)cc(CO)c(=O)n2C	ZINC000003882774	21/92/49/175219249	WTKAOIYWXLMZGW-UHFFFAOYSA-N	0	219.24	BD	1.039	0	Anodyne	ref	BDAARN	COc1ccc2c(c1)cc(CO)c(=O)n2C	 
Nc1[nH]nc2cc(Br)ccc12	ZINC000003883310	73/89/05/342738905	WLDHNAMVDBASAW-UHFFFAOYSA-N	0	212.05	BD	1.908	0	Anodyne	ref	BDAARN	Nc1n[nH]c2cc(Br)ccc12	 
CCNc1ccc(C(=O)O)cc1[N+](=O)[O-]	ZINC000003885887	17/39/35/170173935	XPLTXYDVYDWSSO-UHFFFAOYSA-N	-1	210.189	BD	1.725	0	Bother	ref	BDBARM	CCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	 
O=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004052624	31/61/36/132316136	CRGRJUULGQHKOZ-UHFFFAOYSA-N	0	220.228	BD	1.764	0	Bother	ref	BDBARN	O=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	 
Cc1noc(-c2ccccc2OCC(=O)O)n1	ZINC000004130260	04/30/62/384043062	DDAJFRMJQIHYRE-UHFFFAOYSA-N	-1	234.211	BD	1.508	0	Anodyne	ref	BDAARM	Cc1noc(-c2ccccc2OCC(=O)[O-])n1	 
O=Cc1ccc2c([N+](=O)[O-])cccc2n1	ZINC000004137197	27/60/65/188276065	QRNHAJDHLIRMED-UHFFFAOYSA-N	0	202.169	BD	1.955	0	Bother	ref	BDBBRN	O=Cc1ccc2c([N+](=O)[O-])cccc2n1	 
COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1	ZINC000004137263	52/18/31/386521831	KXCFNKMJVAQREM-UHFFFAOYSA-N	0	247.21	BD	1.771	0	Bother	ref	BDBARN	COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1	 
CC(C)(C)OC(=O)N1Cc2c[nH]nc2C1	ZINC000004243146	65/86/58/166658658	IBUNCTVDGYIKAP-UHFFFAOYSA-N	0	209.249	BD	1.66	0	Anodyne	ref	BDAARN	CC(C)(C)OC(=O)N1Cc2c[nH]nc2C1	in-vitro
N/C(COc1ccccc1Cl)=N/O	ZINC000004253295	18/41/06/181184106	NDOSJMHHYUKPIM-UHFFFAOYSA-N	-1	200.625	BD	1.465	3	Mild	high	BDEAHM	N/C(COc1ccccc1Cl)=N/[O-]	 
N/C(COc1ccccc1Cl)=N/O	ZINC000004253295	18/41/05/181184105	NDOSJMHHYUKPIM-UHFFFAOYSA-N	0	200.625	BD	1.465	0	Mild	ref	BDEARN	N/C(COc1ccccc1Cl)=N/O	 
Cc1nn(C)c2nc(C3CC3)cc(C(=O)O)c12	ZINC000004294510	36/33/86/180363386	GMQFFGPSZPLCJJ-UHFFFAOYSA-N	-1	231.255	BD	1.852	0	Anodyne	ref	BDAARM	Cc1nn(C)c2nc(C3CC3)cc(C(=O)[O-])c12	 
Cc1cc(C(=O)O)c2c(C)nn(C)c2n1	ZINC000004294519	05/25/91/384052591	RDFKCZQFWJDUEX-UHFFFAOYSA-N	-1	205.217	BD	1.283	0	Anodyne	ref	BDAARM	Cc1cc(C(=O)[O-])c2c(C)nn(C)c2n1	 
Cc1nc(Cc2nc3ccccc3[nH]2)no1	ZINC000004316596	65/15/55/359651555	BUOUKWARWXMXGB-UHFFFAOYSA-N	0	214.228	BD	1.845	0	Anodyne	ref	BDABRN	Cc1nc(Cc2nc3ccccc3[nH]2)no1	 
O=C(O)c1ccc(Cn2cccn2)cc1	ZINC000004384463	92/53/64/397925364	ZHQQRHUITAFMTC-UHFFFAOYSA-N	-1	202.213	BD	1.63	0	Anodyne	ref	BDAARM	O=C([O-])c1ccc(Cn2cccn2)cc1	 
CS(=O)(=O)c1nc(Cl)cc(Cl)n1	ZINC000004387318	06/23/43/384062343	DROUVIKCNOHKBA-UHFFFAOYSA-N	0	227.072	BD	1.187	0	Anodyne	ref	BDAARN	CS(=O)(=O)c1nc(Cl)cc(Cl)n1	 
N/C(COc1ccc(Cl)cc1)=N/O	ZINC000004390411	18/36/93/181183693	VEFDYICPJUXKSJ-UHFFFAOYSA-N	-1	200.625	BD	1.465	3	Mild	high	BDEAHM	N/C(COc1ccc(Cl)cc1)=N/[O-]	 
N/C(COc1ccc(Cl)cc1)=N/O	ZINC000004390411	18/36/90/181183690	VEFDYICPJUXKSJ-UHFFFAOYSA-N	0	200.625	BD	1.465	0	Mild	ref	BDEARN	N/C(COc1ccc(Cl)cc1)=N/O	 
NCc1nc(-c2ccccc2Cl)no1	ZINC000004502269	06/45/82/384064582	AMZQOYAZUMRSPX-UHFFFAOYSA-N	1	209.636	BD	1.849	1	Anodyne	mid	BDAAMO	[NH3+]Cc1nc(-c2ccccc2Cl)no1	 
NCc1nc(-c2ccccc2Cl)no1	ZINC000004502269	06/45/69/384064569	AMZQOYAZUMRSPX-UHFFFAOYSA-N	0	209.636	BD	1.849	0	Anodyne	ref	BDAARN	NCc1nc(-c2ccccc2Cl)no1	 
CCOC(=O)c1ccccc1-n1nnnc1C	ZINC000004785789	29/91/84/170299184	JQPAALBDXTUHTI-UHFFFAOYSA-N	0	232.243	BD	1.147	0	Anodyne	ref	BDAARN	CCOC(=O)c1ccccc1-n1nnnc1C	 
O=C(O)Cc1ccc2c(c1)OCCCO2	ZINC000004985980	09/53/63/384095363	CQJUSOWHUIENHK-UHFFFAOYSA-N	-1	208.213	BD	1.475	0	Anodyne	ref	BDAARM	O=C([O-])Cc1ccc2c(c1)OCCCO2	 
N/C(COc1cccc2ccccc12)=N/O	ZINC000005669701	18/42/38/181184238	YXGUKKZSQSABDK-UHFFFAOYSA-N	0	216.24	BD	1.965	0	Mild	ref	BDEARN	N/C(COc1cccc2ccccc12)=N/O	 
N/C(COc1ccc2ccccc2c1)=N\O	ZINC000006342718	18/37/11/181183711	WKSSGLYFMZVCIQ-UHFFFAOYSA-N	0	216.24	BD	1.965	0	Mild	ref	BDEARN	N/C(COc1ccc2ccccc2c1)=N\O	 
NCCSCc1nc2ccccc2c(=O)[nH]1	ZINC000007951897	18/87/19/384188719	NZMUOUFRBXYECV-UHFFFAOYSA-N	1	235.312	BD	1.115	0	Anodyne	ref	BDAARO	[NH3+]CCSCc1nc2ccccc2c(=O)[nH]1	 
COc1ccc2c(c1)cc(C=O)c(=O)n2C	ZINC000008039539	21/85/13/175218513	AHJZBLOCNWNCMB-UHFFFAOYSA-N	0	217.224	BD	1.36	0	Anodyne	ref	BDAARN	COc1ccc2c(c1)cc(C=O)c(=O)n2C	 
Cn1c(=O)c(/C=C/C(=O)O)cc2ccccc21	ZINC000008039541	79/57/74/342795774	OVXBKHFDHRXVFG-VOTSOKGWSA-N	-1	229.235	BD	1.636	0	Anodyne	ref	BDAARM	Cn1c(=O)c(/C=C/C(=O)[O-])cc2ccccc21	 
CNCc1cc2ccccc2n(C)c1=O	ZINC000008733253	38/84/10/173388410	HWDWWTWNLUIBQT-UHFFFAOYSA-N	0	202.257	BD	1.258	3	Anodyne	high	BDAAHN	CNCc1cc2ccccc2n(C)c1=O	 
CNCc1cc2ccccc2n(C)c1=O	ZINC000008733253	38/84/08/173388408	HWDWWTWNLUIBQT-UHFFFAOYSA-N	1	202.257	BD	1.258	0	Anodyne	ref	BDAARO	C[NH2+]Cc1cc2ccccc2n(C)c1=O	 
COc1ccc2cc(C=O)c(=O)n(C)c2c1	ZINC000008733254	22/43/57/175224357	USZZQHXFNKXDHV-UHFFFAOYSA-N	0	217.224	BD	1.36	0	Anodyne	ref	BDAARN	COc1ccc2cc(C=O)c(=O)n(C)c2c1	 
COc1ccc2cc(CO)c(=O)n(C)c2c1	ZINC000008733255	22/44/65/175224465	LZRLTZQXQNZCQG-UHFFFAOYSA-N	0	219.24	BD	1.039	0	Anodyne	ref	BDAARN	COc1ccc2cc(CO)c(=O)n(C)c2c1	 
CNCc1cc2cccc3c2n(c1=O)CC3	ZINC000008733258	38/81/37/173388137	MALXQKOSFVSXSN-UHFFFAOYSA-N	0	214.268	BD	1.277	3	Anodyne	high	BDAAHN	CNCc1cc2cccc3c2n(c1=O)CC3	 
CNCc1cc2cccc3c2n(c1=O)CC3	ZINC000008733258	38/81/34/173388134	MALXQKOSFVSXSN-UHFFFAOYSA-N	1	214.268	BD	1.277	0	Anodyne	ref	BDAARO	C[NH2+]Cc1cc2cccc3c2n(c1=O)CC3	 
COc1ccc([N+](=O)[O-])nc1Br	ZINC000008737752	20/07/04/175200704	ZKEAOLVGPKCNCT-UHFFFAOYSA-N	0	233.021	BD	1.761	0	Bother	ref	BDBARN	COc1ccc([N+](=O)[O-])nc1Br	in-vitro
NC(=O)c1cc(Oc2cccc(N)c2)ccn1	ZINC000008764115	29/20/94/181292094	NKLDTUNRTKHWKP-UHFFFAOYSA-N	0	229.239	BD	1.555	0	Anodyne	ref	BDABRN	NC(=O)c1cc(Oc2cccc(N)c2)ccn1	 
CNC(=O)c1cc(Oc2cccc(N)c2)ccn1	ZINC000008764117	31/00/09/173310009	DRPIVJDJDIQRFK-UHFFFAOYSA-N	0	243.266	BD	1.816	0	Anodyne	ref	BDAARN	CNC(=O)c1cc(Oc2cccc(N)c2)ccn1	 
CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1	ZINC000008764126	31/00/63/173310063	RXZZBPYPZLAEFC-UHFFFAOYSA-N	0	243.266	BD	1.816	0	Clean	ref	BDCARN	CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1	in-vitro
NC(=O)c1cc(Oc2ccc(N)cc2)ccn1	ZINC000008764127	29/22/60/181292260	UWFQBNUDTOONHQ-UHFFFAOYSA-N	0	229.239	BD	1.555	0	Clean	ref	BDCARN	NC(=O)c1cc(Oc2ccc(N)cc2)ccn1	 
NC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1	ZINC000008764142	29/24/52/181292452	TYOBRHWHVZDWNB-UHFFFAOYSA-N	0	247.229	BD	1.694	0	Anodyne	ref	BDABRN	NC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1	 
Nc1ccc(OC(F)(F)F)cc1C(=O)O	ZINC000008764144	80/46/84/342804684	UXNGDCBPIGOZFO-UHFFFAOYSA-N	-1	221.134	BD	1.866	0	Anodyne	ref	BDAARM	Nc1ccc(OC(F)(F)F)cc1C(=O)[O-]	 
CN1C(=O)C[C@@H](c2ccccc2)[C@H]1C(=O)O	ZINC000008764146	81/25/99/345812599	UEAWNUSPEQALQH-ONGXEEELSA-N	-1	219.24	BD	1.085	0	Anodyne	ref	BDABRM	CN1C(=O)C[C@@H](c2ccccc2)[C@H]1C(=O)[O-]	 
CN1C(=O)C[C@@H](c2ccccc2)[C@@H]1C(=O)O	ZINC000008764147	81/25/66/345812566	UEAWNUSPEQALQH-GXSJLCMTSA-N	-1	219.24	BD	1.085	0	Anodyne	ref	BDABRM	CN1C(=O)C[C@@H](c2ccccc2)[C@@H]1C(=O)[O-]	 
CN1C(=O)C[C@H](c2ccccc2)[C@H]1C(=O)O	ZINC000008764148	96/67/64/172966764	UEAWNUSPEQALQH-KOLCDFICSA-N	-1	219.24	BD	1.085	0	Anodyne	ref	BDABRM	CN1C(=O)C[C@H](c2ccccc2)[C@H]1C(=O)[O-]	 
CN1C(=O)C[C@H](c2ccccc2)[C@@H]1C(=O)O	ZINC000008764149	81/26/65/345812665	UEAWNUSPEQALQH-MWLCHTKSSA-N	-1	219.24	BD	1.085	0	Anodyne	ref	BDABRM	CN1C(=O)C[C@H](c2ccccc2)[C@@H]1C(=O)[O-]	 
O=C(O)CCc1nc2ccccc2nc1O	ZINC000008861082	45/61/70/182456170	HROJWOXFEZYMGL-UHFFFAOYSA-N	-1	218.212	BD	1.353	0	Anodyne	ref	BDAARM	O=C([O-])CCc1nc2ccccc2[nH]c1=O	in-vitro
CNCc1cc2cccc3c2n(c1=O)CCC3	ZINC000008879261	38/80/09/173388009	HOXBKJLVDHSBOU-UHFFFAOYSA-N	0	228.295	BD	1.667	3	Anodyne	high	BDAAHN	CNCc1cc2cccc3c2n(c1=O)CCC3	 
CNCc1cc2cccc3c2n(c1=O)CCC3	ZINC000008879261	38/80/08/173388008	HOXBKJLVDHSBOU-UHFFFAOYSA-N	1	228.295	BD	1.667	0	Anodyne	ref	BDAARO	C[NH2+]Cc1cc2cccc3c2n(c1=O)CCC3	 
O=c1[nH]c2cc(Br)cnc2[nH]1	ZINC000011535673	84/13/42/342841342	VHCRLTJPUNUZRN-UHFFFAOYSA-N	0	214.022	BD	1.014	0	Anodyne	ref	BDAARN	O=c1[nH]c2cc(Br)cnc2[nH]1	in-vitro
Cc1nn(C)c2nc3c(c(C(=O)O)c12)CCC3	ZINC000011567275	36/35/49/180363549	KOEPIHHELGFLIK-UHFFFAOYSA-N	-1	231.255	BD	1.464	0	Anodyne	ref	BDAARM	Cc1nn(C)c2nc3c(c(C(=O)[O-])c12)CCC3	 
COc1ccc(OC)c(N2CCNCC2)c1	ZINC000011632569	32/00/47/132320047	IZFHRJZAZNTUOI-UHFFFAOYSA-N	0	222.288	BD	1.113	3	Anodyne	high	BDABHN	COc1ccc(OC)c(N2CCNCC2)c1	in-vivo
COc1ccc(OC)c(N2CCNCC2)c1	ZINC000011632569	32/00/46/132320046	IZFHRJZAZNTUOI-UHFFFAOYSA-N	1	222.288	BD	1.113	0	Anodyne	ref	BDABRO	COc1ccc(OC)c(N2CC[NH2+]CC2)c1	in-vivo
COc1ccc2c(c1)cc(C#N)c(=O)n2C	ZINC000011728026	21/84/28/175218428	VPIRUZGGYCINNC-UHFFFAOYSA-N	0	214.224	BD	1.419	0	Mild	ref	BDEBRN	COc1ccc2c(c1)cc(C#N)c(=O)n2C	 
NCCC(=O)N1CCCc2ccccc21	ZINC000011755162	32/05/15/132320515	DAXCSORKXCGMCI-UHFFFAOYSA-N	1	204.273	BD	1.315	0	Anodyne	ref	BDAARO	[NH3+]CCC(=O)N1CCCc2ccccc21	 
NCCC(=O)Nc1ccc(Br)cc1	ZINC000011755177	36/90/18/181369018	AUTQMUXONQQRPW-UHFFFAOYSA-N	1	243.104	BD	1.736	0	Anodyne	ref	BDAARO	[NH3+]CCC(=O)Nc1ccc(Br)cc1	 
Nc1ncnn2c(Br)ccc12	ZINC000011919362	30/17/30/384301730	YGCJBESZJIGDMP-UHFFFAOYSA-N	0	213.038	BD	1.074	0	Anodyne	ref	BDAARN	Nc1ncnn2c(Br)ccc12	 
COC(=O)/C=C/c1cccc(S(=O)(=O)O)c1	ZINC000011919448	30/18/69/384301869	XWCZKNNOWDHUEC-AATRIKPKSA-N	-1	242.252	BD	1.119	0	Anodyne	ref	BDABRM	COC(=O)/C=C/c1cccc(S(=O)(=O)[O-])c1	 
CC[C@@](NC(C)=O)(C(=O)O)c1ccc(F)cc1	ZINC000011919449	19/35/93/171193593	RKXNGEAGDIWSPW-LBPRGKRZSA-N	-1	239.246	BD	1.652	0	Anodyne	ref	BDABRM	CC[C@@](NC(C)=O)(C(=O)[O-])c1ccc(F)cc1	 
CC[C@](NC(C)=O)(C(=O)O)c1ccc(F)cc1	ZINC000011919450	70/98/21/171709821	RKXNGEAGDIWSPW-GFCCVEGCSA-N	-1	239.246	BD	1.652	0	Anodyne	ref	BDABRM	CC[C@](NC(C)=O)(C(=O)[O-])c1ccc(F)cc1	 
CCOC(=O)c1nc(Br)[nH]c1C	ZINC000011919451	30/66/30/170306630	LYNIJZZYBZLQCU-UHFFFAOYSA-N	-1	233.065	BD	1.657	3	Anodyne	high	BDAAHM	CCOC(=O)c1[n-]c(Br)nc1C	in-vitro
CCOC(=O)c1nc(Br)[nH]c1C	ZINC000011919451	30/66/29/170306629	LYNIJZZYBZLQCU-UHFFFAOYSA-N	-1	233.065	BD	1.657	1	Anodyne	mid	BDAAMM	CCOC(=O)c1nc(Br)[n-]c1C	in-vitro
CCOC(=O)c1nc(Br)[nH]c1C	ZINC000011919451	30/66/28/170306628	LYNIJZZYBZLQCU-UHFFFAOYSA-N	0	233.065	BD	1.657	1	Anodyne	mid	BDAAMN	CCOC(=O)c1[nH]c(Br)nc1C	in-vitro
CCOC(=O)c1nc(Br)[nH]c1C	ZINC000011919451	30/66/27/170306627	LYNIJZZYBZLQCU-UHFFFAOYSA-N	0	233.065	BD	1.657	0	Anodyne	ref	BDAARN	CCOC(=O)c1nc(Br)[nH]c1C	in-vitro
COC(=O)c1cccc2[nH]cc(C=O)c12	ZINC000011919629	30/19/52/384301952	HWQJAOMFBDZMPB-UHFFFAOYSA-N	0	203.197	BD	1.767	0	Anodyne	ref	BDAARN	COC(=O)c1cccc2[nH]cc(C=O)c12	 
O=C(O)c1cc(-c2ccco2)nc(O)n1	ZINC000012243838	55/11/08/182551108	GRYFKAGDKXHBDM-UHFFFAOYSA-N	-1	206.157	BD	1.14	0	Anodyne	ref	BDAARM	O=C([O-])c1cc(-c2ccco2)nc(=O)[nH]1	 
COc1ccc(-c2c[nH]c(=O)cn2)cc1	ZINC000012357218	02/98/61/175029861	QYBHALGKRHKRPE-UHFFFAOYSA-N	0	202.213	BD	1.445	0	Anodyne	ref	BDAARN	COc1ccc(-c2c[nH]c(=O)cn2)cc1	 
CCc1cc(C(=O)O)c2c(C)noc2n1	ZINC000012399133	85/13/42/342851342	SYMJIFPZZGOKLH-UHFFFAOYSA-N	-1	206.201	BD	1.792	0	Anodyne	ref	BDAARM	CCc1cc(C(=O)[O-])c2c(C)noc2n1	 
Cn1c(=O)c(C(=O)O)cc2ccccc21	ZINC000012428117	85/20/12/342852012	DFNCYDFCUVAFDG-UHFFFAOYSA-N	-1	203.197	BD	1.237	0	Anodyne	ref	BDAARM	Cn1c(=O)c(C(=O)[O-])cc2ccccc21