O=C(O)c1ccc(CN2C(=O)C=CC2=O)cc1	ZINC000000020201	08/37/35/491083735	NJPOEIOWYQCHTH-UHFFFAOYSA-N	-1	231.207	BC	0.81	0	Anodyne	ref	BCAARM	O=C([O-])c1ccc(CN2C(=O)C=CC2=O)cc1	 
CCOC(=O)Cc1csc(NC=O)n1	ZINC000000056638	23/57/36/170235736	UAGSMUJDTUOTFP-UHFFFAOYSA-N	0	214.246	BC	0.817	0	Anodyne	ref	BCAARN	CCOC(=O)Cc1csc(NC=O)n1	 
COc1cc(Cn2cnnn2)ccc1O	ZINC000000060396	99/08/82/174990882	FXYDBFZHLXCWLS-UHFFFAOYSA-N	0	206.205	BC	0.436	0	Anodyne	ref	BCAARN	COc1cc(Cn2cnnn2)ccc1O	 
CC(=O)Nc1ccc(S(=O)(=O)CCO)cc1	ZINC000000061071	24/45/33/187244533	XIICKRYAUAVEQS-UHFFFAOYSA-N	0	243.284	BC	0.411	0	Anodyne	ref	BCAARN	CC(=O)Nc1ccc(S(=O)(=O)CCO)cc1	 
CN(C)/C=C(\C=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000000084894	35/00/87/172350087	SUGVIGXHFTXDTJ-GQCTYLIASA-N	0	210.193	BC	0.419	0	Reactive	ref	BCGARN	CN(C)C=C(C=O)c1n[nH]cc1[N+](=O)[O-]	 
COc1ccc(OC)c(-n2cnnn2)c1	ZINC000000086370	16/37/61/175163761	ZJHCMJBQSMFUOX-UHFFFAOYSA-N	0	206.205	BC	0.679	0	Anodyne	ref	BCAARN	COc1ccc(OC)c(-n2cnnn2)c1	 
O=C1C[C@]2(CCc3ccccc32)C(=O)N1	ZINC000000103512	67/48/25/342674825	GOCQZJLHIGURBI-LBPRGKRZSA-N	0	201.225	BC	0.917	0	Anodyne	ref	BCAARN	O=C1C[C@]2(CCc3ccccc32)C(=O)N1	 
O=C1C[C@@]2(CCc3ccccc32)C(=O)N1	ZINC000000103515	67/45/97/342674597	GOCQZJLHIGURBI-GFCCVEGCSA-N	0	201.225	BC	0.917	0	Anodyne	ref	BCAARN	O=C1C[C@@]2(CCc3ccccc32)C(=O)N1	 
CCOC(=O)[C@H]1CC(CC2OCCO2)=NO1	ZINC000000106382	27/87/46/170278746	RVLPYMFXZAEIJO-MRVPVSSYSA-N	0	229.232	BC	0.457	0	Anodyne	ref	BCAARN	CCOC(=O)[C@H]1CC(CC2OCCO2)=NO1	 
CCOC(=O)[C@@H]1CC(CC2OCCO2)=NO1	ZINC000000106392	25/72/23/170257223	RVLPYMFXZAEIJO-QMMMGPOBSA-N	0	229.232	BC	0.457	0	Anodyne	ref	BCAARN	CCOC(=O)[C@@H]1CC(CC2OCCO2)=NO1	 
Nc1cccc(OCC(=O)N2CCOCC2)c1	ZINC000000106655	74/75/31/181747531	SQKMJEPQICGMPL-UHFFFAOYSA-N	0	236.271	BC	0.506	0	Anodyne	ref	BCAARN	Nc1cccc(OCC(=O)N2CCOCC2)c1	 
O=C(O)C[C@H](c1ccccc1)n1cnnn1	ZINC000000112503	48/29/11/182482911	IPEATIREFBKQKS-SECBINFHSA-N	-1	218.216	BC	0.737	0	Anodyne	ref	BCAARM	O=C([O-])C[C@H](c1ccccc1)n1cnnn1	 
O=C(O)C[C@@H](c1ccccc1)n1cnnn1	ZINC000000112506	47/62/53/182476253	IPEATIREFBKQKS-VIFPVBQESA-N	-1	218.216	BC	0.737	0	Anodyne	ref	BCAARM	O=C([O-])C[C@@H](c1ccccc1)n1cnnn1	 
O=C(O)C[C@@H](Cn1cnnn1)c1ccccc1	ZINC000000112615	82/74/01/383827401	BXRQAQUJNCMHOC-JTQLQIEISA-N	-1	232.243	BC	0.932	0	Anodyne	ref	BCAARM	O=C([O-])C[C@@H](Cn1cnnn1)c1ccccc1	 
O=C(O)C[C@H](Cn1cnnn1)c1ccccc1	ZINC000000112618	82/73/73/383827373	BXRQAQUJNCMHOC-SNVBAGLBSA-N	-1	232.243	BC	0.932	0	Anodyne	ref	BCAARM	O=C([O-])C[C@H](Cn1cnnn1)c1ccccc1	 
O=C(O)c1c[nH]c2c(C(=O)O)cccc2c1=O	ZINC000000117354	67/53/13/342675313	YYLVBIBWUBXXRA-UHFFFAOYSA-N	-2	233.179	BC	0.924	0	Anodyne	ref	BCAARL	O=C([O-])c1c[nH]c2c(C(=O)[O-])cccc2c1=O	 
O=C(O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1	ZINC000000117358	67/54/25/342675425	RRVYECNSCSEVEW-UHFFFAOYSA-N	-2	233.179	BC	0.924	1	Anodyne	mid	BCAAML	O=C([O-])c1ccc2ncc(C(=O)[O-])c(O)c2c1	 
O=C(O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1	ZINC000000117358	67/54/24/342675424	RRVYECNSCSEVEW-UHFFFAOYSA-N	-2	233.179	BC	0.924	0	Anodyne	ref	BCAARL	O=C([O-])c1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1	 
N=C(N)NC(=N)N1N=CC[C@@H]1c1ccccc1	ZINC000000118310	18/77/23/181187723	SZZOILYQDCPXTM-SECBINFHSA-N	1	230.275	BC	0.837	1	Anodyne	mid	BCAAMO	N=C(NC(N)=[NH2+])N1N=CC[C@@H]1c1ccccc1	 
N=C(N)NC(=N)N1N=CC[C@@H]1c1ccccc1	ZINC000000118310	18/77/21/181187721	SZZOILYQDCPXTM-SECBINFHSA-N	2	230.275	BC	0.837	0	Anodyne	ref	BCAARP	NC(=[NH2+])NC(=[NH2+])N1N=CC[C@@H]1c1ccccc1	 
Cc1cc(C)n(CC(=O)O)c(=O)c1[N+](=O)[O-]	ZINC000000140126	56/40/00/344564000	DHPOXPMQHNJROT-UHFFFAOYSA-N	-1	226.188	BC	0.458	0	Bother	ref	BCBARM	Cc1cc(C)n(CC(=O)[O-])c(=O)c1[N+](=O)[O-]	 
Cc1[nH]c(=O)c(C(=O)O)c(C)c1[N+](=O)[O-]	ZINC000000140411	67/67/08/342676708	GJSAGPKAERRLKB-UHFFFAOYSA-N	-2	212.161	BC	0.598	3	Bother	high	BCBAHL	Cc1[n-]c(=O)c(C(=O)[O-])c(C)c1[N+](=O)[O-]	 
Cc1[nH]c(=O)c(C(=O)O)c(C)c1[N+](=O)[O-]	ZINC000000140411	67/67/06/342676706	GJSAGPKAERRLKB-UHFFFAOYSA-N	-1	212.161	BC	0.598	0	Bother	ref	BCBARM	Cc1[nH]c(=O)c(C(=O)[O-])c(C)c1[N+](=O)[O-]	 
NC(=O)c1noc(C(=O)c2ccccc2)c1N	ZINC000000140934	31/43/06/181314306	PEPVENQAOITVSR-UHFFFAOYSA-N	0	231.211	BC	0.587	0	Anodyne	ref	BCAARN	NC(=O)c1noc(C(=O)c2ccccc2)c1N	 
CN(C)c1ccc2c(=O)[nH]nc(O)c2c1	ZINC000000168837	67/89/16/342678916	YUHXSGIOAZZWRU-UHFFFAOYSA-N	-1	205.217	BC	0.695	3	Anodyne	high	BCAAHM	CN(C)c1ccc2c(=O)[nH][n-]c(=O)c2c1	 
CN(C)c1ccc2c(=O)[nH]nc(O)c2c1	ZINC000000168837	67/89/15/342678915	YUHXSGIOAZZWRU-UHFFFAOYSA-N	0	205.217	BC	0.695	0	Anodyne	ref	BCAARN	CN(C)c1ccc2c(=O)[nH][nH]c(=O)c2c1	 
CCCc1nn(C)c(C(=O)O)c1[N+](=O)[O-]	ZINC000000168938	57/88/75/344578875	GFORSNBMYCLGIE-UHFFFAOYSA-N	-1	213.193	BC	0.979	0	Bother	ref	BCBARM	CCCc1nn(C)c(C(=O)[O-])c1[N+](=O)[O-]	in-vitro
Cc1cc(=O)[nH]c(=O)n1-c1ccccc1	ZINC000000190315	27/24/75/188272475	MZDMOBOWCAGJFS-UHFFFAOYSA-N	0	202.213	BC	0.834	0	Anodyne	ref	BCAARN	Cc1cc(=O)[nH]c(=O)n1-c1ccccc1	 
O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCOCC1	ZINC000000200200	68/01/29/342680129	LTXOMALEWAFTIQ-VHSXEESVSA-N	-1	241.287	BC	0.736	0	Anodyne	ref	BCAARM	O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCOCC1	 
O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCOCC1	ZINC000000200204	67/99/82/342679982	LTXOMALEWAFTIQ-NXEZZACHSA-N	-1	241.287	BC	0.736	0	Anodyne	ref	BCAARM	O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCOCC1	 
O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCOCC1	ZINC000000200209	68/01/54/342680154	LTXOMALEWAFTIQ-UWVGGRQHSA-N	-1	241.287	BC	0.736	0	Anodyne	ref	BCAARM	O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCOCC1	 
COC(=O)Cn1c(C)cc(C)c([N+](=O)[O-])c1=O	ZINC000000209250	63/12/87/344631287	GCESYRZFSYEUQV-UHFFFAOYSA-N	0	240.215	BC	0.546	0	Bother	ref	BCBARN	COC(=O)Cn1c(C)cc(C)c([N+](=O)[O-])c1=O	 
O=C1NC(O)=N[C@]2(N1)C(=O)Nc1ccccc12	ZINC000000210429	79/51/07/182795107	WNCMJOCNPTZTLF-UHFFFAOYSA-N	0	232.199	BC	0.018	2	Anodyne	low	BCAALN	O=C1NC(=O)NC2(N1)C(=O)Nc1ccccc12	 
O=C1NC(O)=N[C@]2(N1)C(=O)Nc1ccccc12	ZINC000000210429	79/51/03/182795103	WNCMJOCNPTZTLF-UHFFFAOYSA-N	-1	232.199	BC	0.018	0	Anodyne	ref	BCAARM	O=C1[N-]C(=O)NC2(N1)C(=O)Nc1ccccc12	 
CCOC(=O)c1c(C)nc2nonc2c1N	ZINC000000229607	28/86/22/170288622	UJRFHLVOXJVUBQ-UHFFFAOYSA-N	0	222.204	BC	0.685	0	Anodyne	ref	BCAARN	CCOC(=O)c1c(C)nc2nonc2c1N	 
Nc1ccc2c(c1)nc(CO)n2CCO	ZINC000000241042	68/12/15/342681215	RDTZVXKJKDEZEI-UHFFFAOYSA-N	1	207.233	BC	0.103	2	Anodyne	low	BCAALO	Nc1ccc2c(c1)[nH+]c(CO)n2CCO	 
Nc1ccc2c(c1)nc(CO)n2CCO	ZINC000000241042	68/12/14/342681214	RDTZVXKJKDEZEI-UHFFFAOYSA-N	0	207.233	BC	0.103	0	Anodyne	ref	BCAARN	Nc1ccc2c(c1)nc(CO)n2CCO	 
NC(=O)CS(=O)(=O)c1ccc(Cl)cc1	ZINC000000259744	23/98/02/181239802	VWTPVZIHFJROMP-UHFFFAOYSA-N	0	233.676	BC	0.599	0	Anodyne	ref	BCAARN	NC(=O)CS(=O)(=O)c1ccc(Cl)cc1	 
Cc1c(Br)c(=O)n(C)c(=O)n1C	ZINC000000260429	27/24/93/188272493	RJNYZLOAGXCCHJ-UHFFFAOYSA-N	0	233.065	BC	0.155	0	Anodyne	ref	BCAARN	Cc1c(Br)c(=O)n(C)c(=O)n1C	 
CN(CC(=O)O)S(=O)(=O)c1cccs1	ZINC000000264950	68/16/75/342681675	RCDPWPQKDBALBG-UHFFFAOYSA-N	-1	235.286	BC	0.453	0	Anodyne	ref	BCAARM	CN(CC(=O)[O-])S(=O)(=O)c1cccs1	 
C[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)O	ZINC000000267490	84/88/48/383848848	HCBLDFGAHJEPDI-LURJTMIESA-N	-1	244.272	BC	0.02	0	Anodyne	ref	BCAARM	C[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	 
C[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)O	ZINC000000267491	68/17/49/342681749	HCBLDFGAHJEPDI-ZCFIWIBFSA-N	-1	244.272	BC	0.02	0	Anodyne	ref	BCAARM	C[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	 
COC(=O)c1cc(C=O)c(O)c(C=O)c1	ZINC000000268609	84/69/53/383846953	JNBXUZUEBXPEMC-UHFFFAOYSA-N	0	208.169	BC	0.804	2	Anodyne	low	BCAALN	COC(=O)c1cc(C=O)c(O)c(C=O)c1	 
COC(=O)c1cc(C=O)c(O)c(C=O)c1	ZINC000000268609	84/69/37/383846937	JNBXUZUEBXPEMC-UHFFFAOYSA-N	-1	208.169	BC	0.804	0	Anodyne	ref	BCAARM	COC(=O)c1cc(C=O)c([O-])c(C=O)c1	 
CC(=O)NC(NC(C)=O)c1cccnc1	ZINC000000278662	92/46/84/187924684	RORBHNQIRHJJTD-UHFFFAOYSA-N	0	207.233	BC	0.352	0	Anodyne	ref	BCAARN	CC(=O)NC(NC(C)=O)c1cccnc1	 
CS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000000343430	08/03/10/384080310	WPYHDEFQVGUCQZ-UHFFFAOYSA-N	-1	217.202	BC	0.704	0	Bother	ref	BCBARM	CS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	 
C[C@@H](C(N)=S)N1C(=O)c2ccccc2C1=O	ZINC000000358669	63/21/90/175632190	CZJBOYKHVKBSMV-LURJTMIESA-N	0	234.28	BC	0.957	0	Anodyne	ref	BCAARN	C[C@@H](C(N)=S)N1C(=O)c2ccccc2C1=O	 
C[C@H](C(N)=S)N1C(=O)c2ccccc2C1=O	ZINC000000358670	68/45/32/342684532	CZJBOYKHVKBSMV-ZCFIWIBFSA-N	0	234.28	BC	0.957	0	Anodyne	ref	BCAARN	C[C@H](C(N)=S)N1C(=O)c2ccccc2C1=O	 
O=C(O)C[C@H]1NC(=O)N(c2ccccc2)C1=O	ZINC000000377154	86/04/14/383860414	YITSTEXIMAEZDR-MRVPVSSYSA-N	-1	234.211	BC	0.586	0	Anodyne	ref	BCAARM	O=C([O-])C[C@H]1NC(=O)N(c2ccccc2)C1=O	 
O=C(O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O	ZINC000000377156	85/99/86/383859986	YITSTEXIMAEZDR-QMMMGPOBSA-N	-1	234.211	BC	0.586	0	Anodyne	ref	BCAARM	O=C([O-])C[C@@H]1NC(=O)N(c2ccccc2)C1=O	 
COc1ccccc1N1CCN(C(N)=O)CC1	ZINC000000386754	06/85/24/537068524	HJCNPNMQIIZEHD-UHFFFAOYSA-N	0	235.287	BC	0.896	0	Anodyne	ref	BCACRN	COc1ccccc1N1CCN(C(N)=O)CC1	 
CN(C)CCNS(=O)(=O)c1ccc(N)cc1	ZINC000000392584	86/11/15/383861115	HERALKCUSVEQOM-UHFFFAOYSA-N	0	243.332	BC	0.109	1	Anodyne	mid	BCAAMN	CN(C)CCNS(=O)(=O)c1ccc(N)cc1	 
CN(C)CCNS(=O)(=O)c1ccc(N)cc1	ZINC000000392584	86/11/08/383861108	HERALKCUSVEQOM-UHFFFAOYSA-N	1	243.332	BC	0.109	0	Anodyne	ref	BCAARO	C[NH+](C)CCNS(=O)(=O)c1ccc(N)cc1	 
CS(=O)(=O)C[C@H](O)c1ccccc1	ZINC000000393328	86/24/66/383862466	FVZQEVNJWREWHU-VIFPVBQESA-N	0	200.259	BC	0.765	0	Anodyne	ref	BCAARN	CS(=O)(=O)C[C@H](O)c1ccccc1	 
COc1cc(C(N)=O)cc(OC)c1OC	ZINC000000394706	08/86/97/358088697	GGNMTJKRHHLJHH-UHFFFAOYSA-N	0	211.217	BC	0.811	0	Anodyne	ref	BCAARN	COc1cc(C(N)=O)cc(OC)c1OC	 
O=S(=O)(c1cccnc1)N1CCOCC1	ZINC000000399003	68/64/32/342686432	BYBGTJZHRACDCL-UHFFFAOYSA-N	0	228.273	BC	0.103	0	Anodyne	ref	BCAARN	O=S(=O)(c1cccnc1)N1CCOCC1	 
CS(=O)(=O)C[C@@H](O)c1ccccc1	ZINC000000400032	86/36/63/383863663	FVZQEVNJWREWHU-SECBINFHSA-N	0	200.259	BC	0.765	0	Anodyne	ref	BCAARN	CS(=O)(=O)C[C@@H](O)c1ccccc1	 
COC(=O)[C@@H](CO)NC(=O)C1CCCCC1	ZINC000000405864	68/69/85/342686985	QXQVMASLXYZEKT-SECBINFHSA-N	0	229.276	BC	0.217	0	Anodyne	ref	BCAARN	COC(=O)[C@@H](CO)NC(=O)C1CCCCC1	 
COC(=O)[C@H](CO)NC(=O)C1CCCCC1	ZINC000000405865	79/73/12/173797312	QXQVMASLXYZEKT-VIFPVBQESA-N	0	229.276	BC	0.217	0	Anodyne	ref	BCAARN	COC(=O)[C@H](CO)NC(=O)C1CCCCC1	 
COc1nc(SC)ncc1C(=O)O	ZINC000000408254	39/67/01/175396701	SXNHLOFNZOTILK-UHFFFAOYSA-N	-1	200.219	BC	0.905	0	Anodyne	ref	BCAARM	COc1nc(SC)ncc1C(=O)[O-]	 
O=C1NC(=O)[C@H](Cc2ccc(O)cc2)N1	ZINC000000410261	68/73/62/342687362	GLLIXWMNULCIKR-QMMMGPOBSA-N	-1	206.201	BC	0.143	3	Anodyne	high	BCAAHM	O=C1[N-]C(=O)[C@H](Cc2ccc(O)cc2)N1	 
O=C1NC(=O)[C@H](Cc2ccc(O)cc2)N1	ZINC000000410261	68/73/59/342687359	GLLIXWMNULCIKR-QMMMGPOBSA-N	0	206.201	BC	0.143	0	Anodyne	ref	BCAARN	O=C1NC(=O)[C@H](Cc2ccc(O)cc2)N1	 
O=C1NC(=O)[C@@H](Cc2ccc(O)cc2)N1	ZINC000000410262	79/76/29/351797629	GLLIXWMNULCIKR-MRVPVSSYSA-N	-1	206.201	BC	0.143	3	Anodyne	high	BCAAHM	O=C1[N-]C(=O)[C@@H](Cc2ccc(O)cc2)N1	 
O=C1NC(=O)[C@@H](Cc2ccc(O)cc2)N1	ZINC000000410262	79/76/27/351797627	GLLIXWMNULCIKR-MRVPVSSYSA-N	0	206.201	BC	0.143	0	Anodyne	ref	BCAARN	O=C1NC(=O)[C@@H](Cc2ccc(O)cc2)N1	 
O=Cc1ccc(OCC(=O)N2CCOCC2)cc1	ZINC000000470927	86/76/70/383867670	KHQZOOBUOHUYHO-UHFFFAOYSA-N	0	249.266	BC	0.737	0	Anodyne	ref	BCAARN	O=Cc1ccc(OCC(=O)N2CCOCC2)cc1	 
O=C(O)CCSC(=S)N1CCOCC1	ZINC000000495512	87/09/79/383870979	CEWGFAXXCGQDJG-UHFFFAOYSA-N	-1	235.33	BC	0.811	0	Anodyne	ref	BCAARM	O=C([O-])CCSC(=S)N1CCOCC1	 
CN(C)[C@@H](CO)[C@@H](O)c1ccc(N)cc1	ZINC000000525465	68/94/09/342689409	QYGLNAUVXLNBNS-QWRGUYRKSA-N	0	210.277	BC	0.225	3	Anodyne	high	BCAAHN	CN(C)[C@@H](CO)[C@@H](O)c1ccc(N)cc1	 
CN(C)[C@@H](CO)[C@@H](O)c1ccc(N)cc1	ZINC000000525465	68/94/08/342689408	QYGLNAUVXLNBNS-QWRGUYRKSA-N	1	210.277	BC	0.225	0	Anodyne	ref	BCAARO	C[NH+](C)[C@@H](CO)[C@@H](O)c1ccc(N)cc1	 
COc1cccc(CNn2cnnc2)c1O	ZINC000000553349	26/99/60/175269960	IDPDTGVERJADQS-UHFFFAOYSA-N	0	220.232	BC	0.736	0	Clean	ref	BCCARN	COc1cccc(CNn2cnnc2)c1O	 
CN1CCC(N2CCC[C@@H](C(N)=O)C2)CC1	ZINC000000758057	26/98/96/343269896	CUQSEAJUJFRUEV-SNVBAGLBSA-N	2	225.336	BC	0.278	1	Anodyne	mid	BCAAMP	C[NH+]1CCC([N@H+]2CCC[C@@H](C(N)=O)C2)CC1	 
CN1CCC(N2CCC[C@@H](C(N)=O)C2)CC1	ZINC000000758057	26/98/95/343269895	CUQSEAJUJFRUEV-SNVBAGLBSA-N	2	225.336	BC	0.278	1	Anodyne	mid	BCAAMP	C[NH+]1CCC([N@@H+]2CCC[C@@H](C(N)=O)C2)CC1	 
CN1CCC(N2CCC[C@@H](C(N)=O)C2)CC1	ZINC000000758057	26/98/94/343269894	CUQSEAJUJFRUEV-SNVBAGLBSA-N	1	225.336	BC	0.278	1	Anodyne	mid	BCAAMO	CN1CCC([N@H+]2CCC[C@@H](C(N)=O)C2)CC1	 
CN1CCC(N2CCC[C@@H](C(N)=O)C2)CC1	ZINC000000758057	26/98/93/343269893	CUQSEAJUJFRUEV-SNVBAGLBSA-N	1	225.336	BC	0.278	0	Anodyne	ref	BCAARO	CN1CCC([N@@H+]2CCC[C@@H](C(N)=O)C2)CC1	 
CN1CCC(N2CCC[C@H](C(N)=O)C2)CC1	ZINC000000758059	26/98/82/343269882	CUQSEAJUJFRUEV-JTQLQIEISA-N	2	225.336	BC	0.278	1	Anodyne	mid	BCAAMP	C[NH+]1CCC([N@H+]2CCC[C@H](C(N)=O)C2)CC1	 
CN1CCC(N2CCC[C@H](C(N)=O)C2)CC1	ZINC000000758059	26/98/81/343269881	CUQSEAJUJFRUEV-JTQLQIEISA-N	2	225.336	BC	0.278	1	Anodyne	mid	BCAAMP	C[NH+]1CCC([N@@H+]2CCC[C@H](C(N)=O)C2)CC1	 
CN1CCC(N2CCC[C@H](C(N)=O)C2)CC1	ZINC000000758059	26/98/80/343269880	CUQSEAJUJFRUEV-JTQLQIEISA-N	1	225.336	BC	0.278	1	Anodyne	mid	BCAAMO	CN1CCC([N@H+]2CCC[C@H](C(N)=O)C2)CC1	 
CN1CCC(N2CCC[C@H](C(N)=O)C2)CC1	ZINC000000758059	26/98/79/343269879	CUQSEAJUJFRUEV-JTQLQIEISA-N	1	225.336	BC	0.278	0	Anodyne	ref	BCAARO	CN1CCC([N@@H+]2CCC[C@H](C(N)=O)C2)CC1	 
CN1CCN(c2ccc(C(N)=O)cc2N)CC1	ZINC000000785070	88/05/66/383880566	PNBRWUAYRRTAPB-UHFFFAOYSA-N	0	234.303	BC	0.12	1	Anodyne	mid	BCAAMN	CN1CCN(c2ccc(C(N)=O)cc2N)CC1	 
CN1CCN(c2ccc(C(N)=O)cc2N)CC1	ZINC000000785070	88/05/58/383880558	PNBRWUAYRRTAPB-UHFFFAOYSA-N	1	234.303	BC	0.12	0	Anodyne	ref	BCAARO	C[NH+]1CCN(c2ccc(C(N)=O)cc2N)CC1	 
O=C(O)c1nn2cc(CCO)cnc2c1Cl	ZINC000000819611	69/33/32/342693332	DJSHWXLZXVHQLZ-UHFFFAOYSA-N	-1	241.634	BC	0.616	0	Anodyne	ref	BCAARM	O=C([O-])c1nn2cc(CCO)cnc2c1Cl	 
Nc1ccccc1C(=O)C[C@H](N)C(=O)O	ZINC000000895186	69/44/85/342694485	YGPSJZOEDVAXAB-QMMMGPOBSA-N	-1	208.217	BC	0.254	3	Anodyne	high	BCAAHM	Nc1ccccc1C(=O)C[C@H](N)C(=O)[O-]	in-man endogenous
Nc1ccccc1C(=O)C[C@H](N)C(=O)O	ZINC000000895186	69/44/83/342694483	YGPSJZOEDVAXAB-QMMMGPOBSA-N	-1	208.217	BC	0.254	0	Anodyne	ref	BCAARM	Nc1ccccc1C(=O)C[C@H]([NH3+])C(=O)[O-]	in-man endogenous
O=C(O)CNC(=O)Cc1ccc(O)cc1	ZINC000000895813	88/34/00/383883400	CPPDWYIPKSSNNM-UHFFFAOYSA-N	-1	209.201	BC	0.135	0	Anodyne	ref	BCAARM	O=C([O-])CNC(=O)Cc1ccc(O)cc1	in-man endogenous
CCOC(=O)Cc1n[nH]c(-c2cccnc2)n1	ZINC000001235100	23/62/38/170236238	JYEVIOYHVMLURW-UHFFFAOYSA-N	-1	232.243	BC	0.972	3	Anodyne	high	BCAAHM	CCOC(=O)Cc1nnc(-c2cccnc2)[n-]1	 
CCOC(=O)Cc1n[nH]c(-c2cccnc2)n1	ZINC000001235100	23/62/36/170236236	JYEVIOYHVMLURW-UHFFFAOYSA-N	-1	232.243	BC	0.972	3	Anodyne	high	BCAAHM	CCOC(=O)Cc1n[n-]c(-c2cccnc2)n1	 
CCOC(=O)Cc1n[nH]c(-c2cccnc2)n1	ZINC000001235100	23/62/35/170236235	JYEVIOYHVMLURW-UHFFFAOYSA-N	-1	232.243	BC	0.972	3	Anodyne	high	BCAAHM	CCOC(=O)Cc1nc(-c2cccnc2)n[n-]1	 
CCOC(=O)Cc1n[nH]c(-c2cccnc2)n1	ZINC000001235100	23/62/33/170236233	JYEVIOYHVMLURW-UHFFFAOYSA-N	0	232.243	BC	0.972	1	Anodyne	mid	BCAAMN	CCOC(=O)Cc1n[nH]c(-c2cccnc2)n1	 
CCOC(=O)Cc1n[nH]c(-c2cccnc2)n1	ZINC000001235100	23/62/31/170236231	JYEVIOYHVMLURW-UHFFFAOYSA-N	0	232.243	BC	0.972	0	Anodyne	ref	BCAARN	CCOC(=O)Cc1nnc(-c2cccnc2)[nH]1	 
COc1ccc([C@@H](CC(=O)O)n2cnnn2)cc1	ZINC000001301190	89/42/59/383894259	SMEBDNNTWLMMAT-SNVBAGLBSA-N	-1	248.242	BC	0.746	0	Anodyne	ref	BCAARM	COc1ccc([C@@H](CC(=O)[O-])n2cnnn2)cc1	 
COc1ccc([C@H](CC(=O)O)n2cnnn2)cc1	ZINC000001301191	19/05/32/175190532	SMEBDNNTWLMMAT-JTQLQIEISA-N	-1	248.242	BC	0.746	0	Anodyne	ref	BCAARM	COc1ccc([C@H](CC(=O)[O-])n2cnnn2)cc1	 
Nc1ncccc1NC(=O)CCCC(=O)O	ZINC000001301203	89/33/09/383893309	KAABEDMMTOQQPL-UHFFFAOYSA-N	0	223.232	BC	0.857	2	Anodyne	low	BCAALN	Nc1[nH+]cccc1NC(=O)CCCC(=O)[O-]	 
Nc1ncccc1NC(=O)CCCC(=O)O	ZINC000001301203	89/33/04/383893304	KAABEDMMTOQQPL-UHFFFAOYSA-N	-1	223.232	BC	0.857	0	Anodyne	ref	BCAARM	Nc1ncccc1NC(=O)CCCC(=O)[O-]	 
Cc1cc2ncc(S(C)(=O)=O)c(N)n2n1	ZINC000001390410	30/37/54/178303754	LSOQEMDMIIKUNI-UHFFFAOYSA-N	0	226.261	BC	0.023	0	Anodyne	ref	BCAARN	Cc1cc2ncc(S(C)(=O)=O)c(N)n2n1	 
Cc1cc2c(c([N+](=O)[O-])c1)OCC(=O)NC2	ZINC000001426992	28/36/99/178283699	VVLQWQITYUYCME-UHFFFAOYSA-N	0	222.2	BC	0.912	0	Bother	ref	BCBARN	Cc1cc2c(c([N+](=O)[O-])c1)OCC(=O)NC2	 
COC(=O)COc1ccc(-n2cnnn2)cc1	ZINC000001431543	70/05/32/342700532	KSMXHVYRSWXXPS-UHFFFAOYSA-N	0	234.215	BC	0.214	0	Anodyne	ref	BCAARN	COC(=O)COc1ccc(-n2cnnn2)cc1	 
COc1cc(C(=N)N)cc(OC)c1OC	ZINC000001442864	70/11/00/342701100	LNABPJQXZBKJMS-UHFFFAOYSA-N	1	210.233	BC	0.996	0	Anodyne	ref	BCAARO	COc1cc(C(N)=[NH2+])cc(OC)c1OC	 
Nc1cc(=O)[nH]c(=O)n1-c1cccc(F)c1	ZINC000001452745	70/11/77/342701177	MLQJKIANSVCQHJ-UHFFFAOYSA-N	0	221.191	BC	0.247	0	Anodyne	ref	BCAARN	Nc1cc(=O)[nH]c(=O)n1-c1cccc(F)c1	 
CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	ZINC000001529575	25/03/37/168250337	UFAHZIUFPNSHSL-QMMMGPOBSA-O	0	218.273	BC	0.489	0	Bother	ref	BCBARN	CCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C	in-man endogenous
CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	ZINC000001529576	24/99/47/168249947	UFAHZIUFPNSHSL-MRVPVSSYSA-O	0	218.273	BC	0.489	0	Bother	ref	BCBARN	CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	in-man endogenous
CCCC[S@](=N)(=O)CC[C@H](N)C(=O)O	ZINC000001529986	01/60/37/169016037	KJQFBVYMGADDTQ-WJWGPLDTSA-N	0	222.31	BC	0.635	0	Anodyne	ref	BCAARN	CCCC[S@](=N)(=O)CC[C@H]([NH3+])C(=O)[O-]	investigational