O=C(O[C@@H]1CN2CCC1CC2)c1ccccc1	ZINC000000000075	66/93/29/342669329	AHKAOMZZTQULDS-CYBMUJFWSA-N	0	231.295	BD	1.938	3	Anodyne	high	BDAAHN	O=C(O[C@@H]1CN2CCC1CC2)c1ccccc1	world
O=C(O[C@@H]1CN2CCC1CC2)c1ccccc1	ZINC000000000075	66/93/27/342669327	AHKAOMZZTQULDS-CYBMUJFWSA-N	1	231.295	BD	1.938	0	Anodyne	ref	BDAARO	O=C(O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1	world
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)c1c(N)sc2c1CCC2	ZINC000000035797	28/91/33/170289133	BOJXCJDYZJSPMZ-UHFFFAOYSA-N	0	211.286	BD	1.996	0	Anodyne	ref	BDAARN	CCOC(=O)c1c(N)sc2c1CCC2	 
CCOC(=O)c1sc(N)c(C(=O)OC)c1C	ZINC000000037375	31/10/65/170311065	NWMDHEXWYNCAME-UHFFFAOYSA-N	0	243.284	BD	1.602	0	Anodyne	ref	BDAARN	CCOC(=O)c1sc(N)c(C(=O)OC)c1C	 
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	 
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	 
COc1cc(C=O)cc(Br)c1O	ZINC000000056430	07/40/82/358074082	KLSHZDPXXKAHIJ-UHFFFAOYSA-N	0	231.045	BD	1.976	2	Anodyne	low	BDAALN	COc1cc(C=O)cc(Br)c1O	 
COc1cc(C=O)cc(Br)c1O	ZINC000000056430	07/40/68/358074068	KLSHZDPXXKAHIJ-UHFFFAOYSA-N	-1	231.045	BD	1.976	0	Anodyne	ref	BDAARM	COc1cc(C=O)cc(Br)c1[O-]	 
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O	ZINC000000056436	64/86/06/166648606	ZQEBQGAAWMOMAI-ZETCQYMHSA-N	-1	215.249	BD	1.471	0	Anodyne	ref	BDAARM	CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[O-]	 
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)O	ZINC000000056437	24/44/68/187244468	ZQEBQGAAWMOMAI-SSDOTTSWSA-N	-1	215.249	BD	1.471	0	Anodyne	ref	BDAARM	CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)[O-]	 
COc1ccc2[nH]cc(CCNC(C)=O)c2c1	ZINC000000057060	20/29/26/175202926	DRLFMBDRBRZALE-UHFFFAOYSA-N	0	232.283	BD	1.855	0	Anodyne	ref	BDAARN	COc1ccc2[nH]cc(CCNC(C)=O)c2c1	world endogenous
Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C	ZINC000000057115	67/19/56/342671956	RMMXTBMQSGEXHJ-UHFFFAOYSA-N	0	231.299	BD	1.55	0	Anodyne	ref	BDAARN	Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C	world
COc1cccc(NC(=O)CCC(=O)O)c1	ZINC000000064853	09/87/81/188098781	DLSAAWQLSTXCNZ-UHFFFAOYSA-N	-1	223.228	BD	1.498	0	Anodyne	ref	BDAARM	COc1cccc(NC(=O)CCC(=O)[O-])c1	 
O=C(O)CCC(=O)NCc1ccccc1	ZINC000000064861	82/22/17/383822217	GFVMZKFJMYHDNM-UHFFFAOYSA-N	-1	207.229	BD	1.168	0	Anodyne	ref	BDAARM	O=C([O-])CCC(=O)NCc1ccccc1	 
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C	ZINC000000075008	67/31/44/342673144	QCHFTSOMWOSFHM-WPRPVWTQSA-N	1	208.261	BD	1.162	2	Anodyne	low	BDAALO	CC[C@@H]1C(=O)OC[C@@H]1Cc1c[nH+]cn1C	fda biogenic
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C	ZINC000000075008	67/31/43/342673143	QCHFTSOMWOSFHM-WPRPVWTQSA-N	0	208.261	BD	1.162	0	Anodyne	ref	BDAARN	CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C	fda biogenic
CCOC(=O)c1sc(N)c(C#N)c1C	ZINC000000075910	31/08/93/170310893	NCCMCRFYSZRBBG-UHFFFAOYSA-N	0	210.258	BD	1.687	0	Mild	ref	BDEARN	CCOC(=O)c1sc(N)c(C#N)c1C	 
O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1	ZINC000000105333	04/63/31/363046331	JXGVXCZADZNAMJ-NSHDSACASA-N	-1	249.266	BD	1.872	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CCCN1C(=O)OCc1ccccc1	in-vitro biogenic
COc1ccc(CCC(=O)O)cc1OC	ZINC000000106688	08/86/39/175088639	LHHKQWQTBCTDQM-UHFFFAOYSA-N	-1	210.229	BD	1.721	0	Anodyne	ref	BDAARM	COc1ccc(CCC(=O)[O-])cc1OC	in-vivo
O=C(O)CCC(=O)Nc1ccc(F)cc1	ZINC000000113263	82/67/88/383826788	NAPJELQHRKGMDD-UHFFFAOYSA-N	-1	211.192	BD	1.629	0	Anodyne	ref	BDAARM	O=C([O-])CCC(=O)Nc1ccc(F)cc1	 
COc1ccc(/C=C/C(=O)O)cc1OC	ZINC000000116202	04/75/59/175047559	HJBWJAPEBGSQPR-GQCTYLIASA-N	-1	208.213	BD	1.802	0	Anodyne	ref	BDAARM	COc1ccc(/C=C/C(=O)[O-])cc1OC	in-man endogenous
Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1	ZINC000000128508	67/61/05/342676105	VFMDYLPJOGARCK-LLVKDONJSA-N	0	220.272	BD	1.178	0	Anodyne	ref	BDAARN	Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1	 
Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1	ZINC000000128511	67/60/42/342676042	VFMDYLPJOGARCK-NSHDSACASA-N	0	220.272	BD	1.178	0	Anodyne	ref	BDAARN	Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1	 
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	 
Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000000128956	67/61/47/342676147	JTIWXDLCUZTDFM-UHFFFAOYSA-N	0	226.301	BD	1.053	0	Anodyne	ref	BDAARN	Nc1ccc(S(=O)(=O)N2CCCC2)cc1	 
Nc1ccccc1C(=O)N1CCCCC1	ZINC000000134245	67/63/40/342676340	YJTQPHOSNYIGPC-UHFFFAOYSA-N	0	204.273	BD	1.895	0	Anodyne	ref	BDAARN	Nc1ccccc1C(=O)N1CCCCC1	 
O=C(O[C@H]1CN2CCC1CC2)c1ccccc1	ZINC000000135992	67/63/75/342676375	AHKAOMZZTQULDS-ZDUSSCGKSA-N	0	231.295	BD	1.938	3	Anodyne	high	BDAAHN	O=C(O[C@H]1CN2CCC1CC2)c1ccccc1	world
O=C(O[C@H]1CN2CCC1CC2)c1ccccc1	ZINC000000135992	67/63/73/342676373	AHKAOMZZTQULDS-ZDUSSCGKSA-N	1	231.295	BD	1.938	0	Anodyne	ref	BDAARO	O=C(O[C@H]1C[NH+]2CCC1CC2)c1ccccc1	world
O=C(O)COc1ccc(Br)cc1	ZINC000000142076	83/40/39/383834039	SZEBGAQWWSUOHT-UHFFFAOYSA-N	-1	231.045	BD	1.913	0	Anodyne	ref	BDAARM	O=C([O-])COc1ccc(Br)cc1	 
O=C(O)c1ccccc1C(=O)N1CCCC1	ZINC000000142147	67/65/69/342676569	QCEUWPGTKKABMR-UHFFFAOYSA-N	-1	219.24	BD	1.621	0	Anodyne	ref	BDAARM	O=C([O-])c1ccccc1C(=O)N1CCCC1	 
O=C(COc1ccccc1)NC[C@H]1CCCO1	ZINC000000142922	00/27/86/182002786	TZSZZYGHGXEJTC-GFCCVEGCSA-N	0	235.283	BD	1.361	0	Anodyne	ref	BDAARN	O=C(COc1ccccc1)NC[C@H]1CCCO1	 
O=C(COc1ccccc1)NC[C@@H]1CCCO1	ZINC000000142924	00/26/78/182002678	TZSZZYGHGXEJTC-LBPRGKRZSA-N	0	235.283	BD	1.361	0	Anodyne	ref	BDAARN	O=C(COc1ccccc1)NC[C@@H]1CCCO1	 
O=C(O)CCC(=O)N1CCc2ccccc21	ZINC000000143134	43/25/67/182432567	SWNRXQYQTQVWKA-UHFFFAOYSA-N	-1	219.24	BD	1.44	0	Anodyne	ref	BDAARM	O=C([O-])CCC(=O)N1CCc2ccccc21	 
CCN(CC)S(=O)(=O)c1ccc(N)cc1	ZINC000000143138	79/39/67/169793967	LTFVELCIFWEGGA-UHFFFAOYSA-N	0	228.317	BD	1.299	0	Anodyne	ref	BDAARN	CCN(CC)S(=O)(=O)c1ccc(N)cc1	 
COC(=O)c1cc(Br)ccc1O	ZINC000000153741	83/55/61/383835561	FJYDBKPPGRZSOZ-UHFFFAOYSA-N	0	231.045	BD	1.941	0	Anodyne	ref	BDAARN	COC(=O)c1cc(Br)ccc1O	 
Nc1cccc(C(=O)N2CCCCC2)c1	ZINC000000190579	67/96/38/342679638	AITMOJIGHBMWDB-UHFFFAOYSA-N	0	204.273	BD	1.895	0	Anodyne	ref	BDAARN	Nc1cccc(C(=O)N2CCCCC2)c1	 
Nc1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000000280693	68/20/84/342682084	GXJMUCRPBMVLOM-SECBINFHSA-N	0	220.272	BD	1.178	0	Anodyne	ref	BDAARN	Nc1ccccc1C(=O)NC[C@H]1CCCO1	 
Nc1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000000280694	68/20/38/342682038	GXJMUCRPBMVLOM-VIFPVBQESA-N	0	220.272	BD	1.178	0	Anodyne	ref	BDAARN	Nc1ccccc1C(=O)NC[C@@H]1CCCO1	 
COc1ccc(C=O)c(C(=O)O)c1OC	ZINC000000294707	08/63/14/175086314	HVXXOIGTXJOVON-UHFFFAOYSA-N	-1	210.185	BD	1.214	0	Anodyne	ref	BDAARM	COc1ccc(C=O)c(C(=O)[O-])c1OC	in-vitro biogenic
CC(C)(C)NS(=O)(=O)c1ccc(N)cc1	ZINC000000357408	68/45/67/342684567	XEJAJZSTMLRDKH-UHFFFAOYSA-N	0	228.317	BD	1.346	0	Anodyne	ref	BDAARN	CC(C)(C)NS(=O)(=O)c1ccc(N)cc1	 
COc1ccc(CNC[C@H]2CCCO2)cc1	ZINC000000357588	27/35/34/188273534	ZJXNNHXMTOVMHI-CYBMUJFWSA-N	0	221.3	BD	1.964	3	Anodyne	high	BDAAHN	COc1ccc(CNC[C@H]2CCCO2)cc1	 
COc1ccc(CNC[C@H]2CCCO2)cc1	ZINC000000357588	27/35/32/188273532	ZJXNNHXMTOVMHI-CYBMUJFWSA-N	1	221.3	BD	1.964	0	Anodyne	ref	BDAARO	COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1	 
COc1ccc(CNC[C@@H]2CCCO2)cc1	ZINC000000357590	10/74/54/175107454	ZJXNNHXMTOVMHI-ZDUSSCGKSA-N	0	221.3	BD	1.964	3	Anodyne	high	BDAAHN	COc1ccc(CNC[C@@H]2CCCO2)cc1	 
COc1ccc(CNC[C@@H]2CCCO2)cc1	ZINC000000357590	10/74/51/175107451	ZJXNNHXMTOVMHI-ZDUSSCGKSA-N	1	221.3	BD	1.964	0	Anodyne	ref	BDAARO	COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1	 
Nc1ccccc1C(=O)NCc1ccco1	ZINC000000371097	68/51/97/342685197	RUHBCAVHAVRLGK-UHFFFAOYSA-N	0	216.24	BD	1.792	0	Anodyne	ref	BDAARN	Nc1ccccc1C(=O)NCc1ccco1	 
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)O	ZINC000000371756	02/45/74/177024574	MALMTWYTOBLCBT-LURJTMIESA-N	-1	211.173	BD	1.447	0	Bother	ref	BDBARM	C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)[O-]	 
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)O	ZINC000000371757	00/63/55/176006355	MALMTWYTOBLCBT-ZCFIWIBFSA-N	-1	211.173	BD	1.447	0	Bother	ref	BDBARM	C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)[O-]	 
COc1ccc(CNC(=O)CCC(=O)O)cc1	ZINC000000386813	10/42/25/175104225	UCWWQJUWQZSRDW-UHFFFAOYSA-N	-1	237.255	BD	1.176	0	Anodyne	ref	BDAARM	COc1ccc(CNC(=O)CCC(=O)[O-])cc1	 
Cc1c(C(=O)O)c2cc(O)ccc2n1C	ZINC000000524933	68/95/84/342689584	OQXLSAKWTZREQM-UHFFFAOYSA-N	-1	205.213	BD	1.891	0	Anodyne	ref	BDAARM	Cc1c(C(=O)[O-])c2cc(O)ccc2n1C	 
CN(C(=O)CCC(=O)O)C1CCCCC1	ZINC000000615777	30/26/04/172302604	FURZLMCFJOLPME-UHFFFAOYSA-N	-1	213.277	BD	1.642	0	Anodyne	ref	BDAARM	CN(C(=O)CCC(=O)[O-])C1CCCCC1	 
CC[C@@H](C)NS(=O)(=O)c1ccc(N)cc1	ZINC000000874833	69/40/69/342694069	MHZQWYQBRRHREA-MRVPVSSYSA-N	0	228.317	BD	1.346	0	Anodyne	ref	BDAARN	CC[C@@H](C)NS(=O)(=O)c1ccc(N)cc1	 
CC[C@H](C)NS(=O)(=O)c1ccc(N)cc1	ZINC000000874835	34/47/45/171344745	MHZQWYQBRRHREA-QMMMGPOBSA-N	0	228.317	BD	1.346	0	Anodyne	ref	BDAARN	CC[C@H](C)NS(=O)(=O)c1ccc(N)cc1	 
Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl	ZINC000001255236	69/87/31/342698731	DVZMRTJKNJKEGV-UHFFFAOYSA-N	0	241.099	BD	1.223	0	Anodyne	ref	BDAARN	Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl	in-vitro
O=C(O)C1CCN(Cc2cccnc2)CC1	ZINC000001503112	90/22/19/383902219	TVWPPUXVVVXIDU-UHFFFAOYSA-N	-1	220.272	BD	1.378	3	Anodyne	high	BDAAHM	O=C([O-])C1CCN(Cc2cccnc2)CC1	 
O=C(O)C1CCN(Cc2cccnc2)CC1	ZINC000001503112	90/22/02/383902202	TVWPPUXVVVXIDU-UHFFFAOYSA-N	0	220.272	BD	1.378	0	Anodyne	ref	BDAARN	O=C([O-])C1CC[NH+](Cc2cccnc2)CC1	 
C[C@@H](Cc1ccccc1)[n+]1cc(N)on1	ZINC000001516802	77/38/24/175773824	UDUSHLMWUKFPIU-VIFPVBQESA-N	1	204.253	BD	1.348	2	Anodyne	low	BDAALO	C[C@@H](Cc1ccccc1)n1cc(N)[o+]n1	in-man
O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1	ZINC000001529638	46/41/63/356464163	XZKIHKMTEMTJQX-UHFFFAOYSA-N	-1	219.089	BD	1.066	2	Bother	low	BDBALM	O=[N+]([O-])c1ccc(O[P@@](=O)([O-])O)cc1	in-man metabolite
O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1	ZINC000001529638	46/41/61/356464161	XZKIHKMTEMTJQX-UHFFFAOYSA-N	-1	219.089	BD	1.066	2	Bother	low	BDBALM	O=[N+]([O-])c1ccc(O[P@](=O)([O-])O)cc1	in-man metabolite
O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1	ZINC000001529638	46/41/58/356464158	XZKIHKMTEMTJQX-UHFFFAOYSA-N	-1	219.089	BD	1.066	0	Bother	ref	BDBARM	O=[N+]([O-])c1ccc(OP(=O)([O-])[O-])cc1	in-man metabolite
CCN(CC)CCNC(=O)c1ccc(N)cc1	ZINC000001530756	70/24/82/342702482	REQCZEXYDRLIBE-UHFFFAOYSA-N	1	235.331	BD	1.34	0	Anodyne	ref	BDAARO	CC[NH+](CC)CCNC(=O)c1ccc(N)cc1	fda
CCN(CC)CCOC(=O)c1ccc(N)cc1	ZINC000001530757	70/25/36/342702536	MFDFERRIHVXMIY-UHFFFAOYSA-N	0	236.315	BD	1.767	3	Anodyne	high	BDAAHN	CCN(CC)CCOC(=O)c1ccc(N)cc1	world
CCN(CC)CCOC(=O)c1ccc(N)cc1	ZINC000001530757	70/25/35/342702535	MFDFERRIHVXMIY-UHFFFAOYSA-N	1	236.315	BD	1.767	0	Anodyne	ref	BDAARO	CC[NH+](CC)CCOC(=O)c1ccc(N)cc1	world
O=C(O)C(=O)Cc1c[nH]c2ccccc12	ZINC000001532617	90/20/70/383902070	RSTKLPZEZYGQPY-UHFFFAOYSA-N	-1	203.197	BD	1.364	0	Anodyne	ref	BDAARM	O=C([O-])C(=O)Cc1c[nH]c2ccccc12	in-man metabolite
CCOC(=O)C(C(=O)OCC)C(C)C	ZINC000001587764	18/57/28/170185728	BYQFBFWERHXONI-UHFFFAOYSA-N	0	202.25	BD	1.385	0	Anodyne	ref	BDAARN	CCOC(=O)C(C(=O)OCC)C(C)C	 
CN(C(=O)CCC(=O)O)c1ccccc1	ZINC000001603041	30/32/00/172303200	ZBTZGOKOGQVOPH-UHFFFAOYSA-N	-1	207.229	BD	1.514	0	Anodyne	ref	BDAARM	CN(C(=O)CCC(=O)[O-])c1ccccc1	 
CCOC(=O)CCSCC(=O)OCC	ZINC000001621735	21/10/70/170211070	VKVGPGWOHFRXIG-UHFFFAOYSA-N	0	220.29	BD	1.236	0	Anodyne	ref	BDAARN	CCOC(=O)CCSCC(=O)OCC	 
CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC	ZINC000001646699	70/70/93/342707093	NHWGPUVJQFTOQX-UHFFFAOYSA-N	2	231.428	BD	1.111	0	Bother	ref	BDBARP	CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC	in-man
Nc1c(O)cc(S(=O)(=O)O)c2ccccc12	ZINC000001680647	67/06/68/181670668	RXCMFQDTWCCLBL-UHFFFAOYSA-N	-1	239.252	BD	1.374	0	Clean	ref	BDCARM	Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc12	in-vitro
CCC(C(=O)O)(C(=O)O)c1ccccc1	ZINC000001681313	26/00/34/168260034	KDEAZJJSARLKAO-UHFFFAOYSA-N	-1	208.213	BD	1.504	2	Anodyne	low	BDAALM	CCC(C(=O)[O-])(C(=O)O)c1ccccc1	 
CCC(C(=O)O)(C(=O)O)c1ccccc1	ZINC000001681313	26/00/30/168260030	KDEAZJJSARLKAO-UHFFFAOYSA-N	-2	208.213	BD	1.504	0	Anodyne	ref	BDAARL	CCC(C(=O)[O-])(C(=O)[O-])c1ccccc1	 
CN1C(=O)C(=O)c2cc(Br)ccc21	ZINC000001793641	71/26/75/342712675	GEEDYJPPYNIZLX-UHFFFAOYSA-N	0	240.056	BD	1.608	0	Anodyne	ref	BDAARN	CN1C(=O)C(=O)c2cc(Br)ccc21	 
CCOC(=O)C[C@@H](CN)c1ccccc1	ZINC000001853565	23/13/14/170231314	ADSZNFBIRHALJL-NSHDSACASA-N	1	207.273	BD	1.682	0	Anodyne	ref	BDAARO	CCOC(=O)C[C@@H](C[NH3+])c1ccccc1	 
CCOC(=O)C[C@H](CN)c1ccccc1	ZINC000001853566	23/31/88/170233188	ADSZNFBIRHALJL-LLVKDONJSA-N	1	207.273	BD	1.682	0	Anodyne	ref	BDAARO	CCOC(=O)C[C@H](C[NH3+])c1ccccc1	 
O=C(O)CCC(=O)OCCc1ccccc1	ZINC000001926699	43/33/11/182433311	IRVZRNOWHCEDRV-UHFFFAOYSA-N	-1	222.24	BD	1.637	0	Anodyne	ref	BDAARM	O=C([O-])CCC(=O)OCCc1ccccc1	 
O=C1C(=O)c2ncccc2-c2cccnc21	ZINC000002041224	71/29/69/182712969	VLPADTBFADIFKG-UHFFFAOYSA-N	0	210.192	BD	1.523	0	Clean	ref	BDCARN	O=C1C(=O)c2ncccc2-c2cccnc21	in-man
Cc1cc2c(cc1Br)NC(=O)C2=O	ZINC000002052963	28/55/38/178285538	DQZFCBOXZKQQPM-UHFFFAOYSA-N	-1	240.056	BD	1.892	3	Anodyne	high	BDAAHM	Cc1cc2c(cc1Br)[N-]C(=O)C2=O	in-vivo
Cc1cc2c(cc1Br)NC(=O)C2=O	ZINC000002052963	28/55/33/178285533	DQZFCBOXZKQQPM-UHFFFAOYSA-N	0	240.056	BD	1.892	0	Anodyne	ref	BDAARN	Cc1cc2c(cc1Br)NC(=O)C2=O	in-vivo
CCOCCOS(=O)(=O)c1ccc(C)cc1	ZINC000002170903	95/32/85/383953285	HXXNTEDKEYTYPD-UHFFFAOYSA-N	0	244.312	BD	1.737	0	Mild	ref	BDEARN	CCOCCOS(=O)(=O)c1ccc(C)cc1	 
c1ccc(OCCNC[C@@H]2CCCO2)cc1	ZINC000002390512	96/12/22/383961222	KQESXQMPXOHCCM-ZDUSSCGKSA-N	1	221.3	BD	1.834	0	Anodyne	ref	BDAARO	c1ccc(OCC[NH2+]C[C@@H]2CCCO2)cc1	 
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)O	ZINC000002526131	00/48/35/176004835	OYYFEDUOOFSUGM-ZCFIWIBFSA-N	-1	211.173	BD	1.447	0	Bother	ref	BDBARM	C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	 
O=C(O)c1ccc(C(=O)CBr)cc1	ZINC000002559794	18/78/24/560187824	ZMHLKKVZTJBBHK-UHFFFAOYSA-N	-1	243.056	BD	1.962	0	Reactive	ref	BDGARM	O=C([O-])c1ccc(C(=O)CBr)cc1	in-vitro
O=C(NC1CCCCCC1)C1CCNCC1	ZINC000002585089	11/44/66/182114466	XKUDHOSLXFVHIT-UHFFFAOYSA-N	1	224.348	BD	1.825	0	Anodyne	ref	BDAARO	O=C(NC1CCCCCC1)C1CC[NH2+]CC1	 
c1ccc(OCCNC[C@H]2CCCO2)cc1	ZINC000002696392	42/08/14/183420814	KQESXQMPXOHCCM-CYBMUJFWSA-N	1	221.3	BD	1.834	0	Anodyne	ref	BDAARO	c1ccc(OCC[NH2+]C[C@H]2CCCO2)cc1	 
CCOC(=O)C(=O)Nc1ccc(OCC)cc1	ZINC000002850263	18/41/69/170184169	OBCOUMMVQFTMLX-UHFFFAOYSA-N	0	237.255	BD	1.587	0	Anodyne	ref	BDAARN	CCOC(=O)C(=O)Nc1ccc(OCC)cc1	 
Cc1noc(COc2ccccc2O)n1	ZINC000003163705	99/93/88/383999388	RLVUVELEDNQNEE-UHFFFAOYSA-N	0	206.201	BD	1.663	0	Anodyne	ref	BDAARN	Cc1noc(COc2ccccc2O)n1	 
O=C(O)c1ccc(OC[C@H]2CCCO2)cc1	ZINC000003286652	57/03/64/182570364	NWLNPDFDAPBKDB-LLVKDONJSA-N	-1	222.24	BD	1.943	0	Anodyne	ref	BDAARM	O=C([O-])c1ccc(OC[C@H]2CCCO2)cc1	 
O=C(O)c1ccc(OC[C@@H]2CCCO2)cc1	ZINC000003286654	73/21/76/342732176	NWLNPDFDAPBKDB-NSHDSACASA-N	-1	222.24	BD	1.943	0	Anodyne	ref	BDAARM	O=C([O-])c1ccc(OC[C@@H]2CCCO2)cc1	 
O=C1c2cccc(O)c2C(=O)c2c(O)cccc21	ZINC000003860369	03/01/19/384030119	QBPFLULOKWLNNW-UHFFFAOYSA-N	-1	240.214	BD	1.873	3	Clean	high	BDCAHM	O=C1c2cccc([O-])c2C(=O)c2c(O)cccc21	investigational endogenous
O=C1c2cccc(O)c2C(=O)c2c(O)cccc21	ZINC000003860369	03/01/13/384030113	QBPFLULOKWLNNW-UHFFFAOYSA-N	-2	240.214	BD	1.873	3	Clean	high	BDCAHL	O=C1c2cccc([O-])c2C(=O)c2c([O-])cccc21	investigational endogenous
O=C1c2cccc(O)c2C(=O)c2c(O)cccc21	ZINC000003860369	03/01/00/384030100	QBPFLULOKWLNNW-UHFFFAOYSA-N	0	240.214	BD	1.873	0	Clean	ref	BDCARN	O=C1c2cccc(O)c2C(=O)c2c(O)cccc21	investigational endogenous
Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003861609	07/89/71/372078971	LHRIICYSGQGXSX-UHFFFAOYSA-N	0	217.568	BD	1.739	0	Bother	ref	BDBARN	Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	 
COC(=O)c1c(N)sc2c1CCCC2	ZINC000003882867	03/20/06/384032006	DKYYKIHEIOOWRB-UHFFFAOYSA-N	0	211.286	BD	1.996	0	Anodyne	ref	BDAARN	COC(=O)c1c(N)sc2c1CCCC2	 
Nc1ccc([N+](=O)[O-])cc1Br	ZINC000003882907	42/15/91/351421591	CGPPWNTVTNCHDO-UHFFFAOYSA-N	0	217.022	BD	1.94	0	Bother	ref	BDBARN	Nc1ccc([N+](=O)[O-])cc1Br	 
NC(=O)[C@@H](c1ccccc1)c1ccccn1	ZINC000004007920	26/66/67/181266667	PYAPITOPBTXXNJ-LBPRGKRZSA-N	0	212.252	BD	1.699	0	Anodyne	ref	BDAARN	NC(=O)[C@@H](c1ccccc1)c1ccccn1	in-vitro
NC(=O)[C@H](c1ccccc1)c1ccccn1	ZINC000004007921	27/94/72/181279472	PYAPITOPBTXXNJ-GFCCVEGCSA-N	0	212.252	BD	1.699	0	Anodyne	ref	BDAARN	NC(=O)[C@H](c1ccccc1)c1ccccn1	in-vitro
O=C(O)CCC(=O)NCCC1=CCCCC1	ZINC000004195052	04/48/63/384044863	AARNRGNYRHTDRE-UHFFFAOYSA-N	-1	225.288	BD	1.858	0	Anodyne	ref	BDAARM	O=C([O-])CCC(=O)NCCC1=CCCCC1	 
Nc1ccc(C(=O)NCc2ccco2)cc1	ZINC000004240326	74/52/08/342745208	AABBIAOWKMFHJI-UHFFFAOYSA-N	0	216.24	BD	1.792	0	Anodyne	ref	BDAARN	Nc1ccc(C(=O)NCc2ccco2)cc1	 
O=C(NCCc1ccccc1)C1CCNCC1	ZINC000004725457	20/44/70/182204470	VCFBMPIDYRJPSW-UHFFFAOYSA-N	1	232.327	BD	1.345	0	Anodyne	ref	BDAARO	O=C(NCCc1ccccc1)C1CC[NH2+]CC1	 
c1cnn(CCCNCCCn2cccn2)c1	ZINC000005055050	75/71/30/342757130	SIUVWIREBIQNCI-UHFFFAOYSA-N	1	233.319	BD	1.15	0	Anodyne	ref	BDAARO	c1cnn(CCC[NH2+]CCCn2cccn2)c1