CN(C)c1nc(N(C)C)nc(N(C)C)n1	ZINC000000000905	66/95/51/342669551	UUVWYPNAQBNQJQ-UHFFFAOYSA-N	1	210.285	BC	0.07	1	Anodyne	mid	BCAAMO	CN(C)c1nc(N(C)C)[nH+]c(N(C)C)n1	fda
CN(C)c1nc(N(C)C)nc(N(C)C)n1	ZINC000000000905	66/95/50/342669550	UUVWYPNAQBNQJQ-UHFFFAOYSA-N	0	210.285	BC	0.07	0	Anodyne	ref	BCAARN	CN(C)c1nc(N(C)C)nc(N(C)C)n1	fda
CCC1(c2ccccc2)C(=O)NCNC1=O	ZINC000000001979	66/94/58/342669458	DQMZLTXERSFNPB-UHFFFAOYSA-N	0	218.256	BC	0.538	0	Anodyne	ref	BCAARN	CCC1(c2ccccc2)C(=O)NCNC1=O	fda
NS(=O)(=O)Cc1noc2ccccc12	ZINC000000004321	66/95/49/342669549	UBQNRHZMVUUOMG-UHFFFAOYSA-N	0	212.23	BC	0.616	0	Anodyne	ref	BCAARN	NS(=O)(=O)Cc1noc2ccccc12	fda
NC(=O)c1cn(Cc2c(F)cccc2F)nn1	ZINC000000007782	30/87/38/181308738	POGQSBRIGCQNEG-UHFFFAOYSA-N	0	238.197	BC	0.704	0	Anodyne	ref	BCAARN	NC(=O)c1cn(Cc2c(F)cccc2F)nn1	fda
CC(C)(S)C(=O)N[C@@H](CS)C(=O)O	ZINC000000020222	08/37/98/491083798	VUAFHZCUKUDDBC-BYPYZUCNSA-N	-1	223.319	BC	0.194	0	Mild	ref	BCEARM	CC(C)(S)C(=O)N[C@@H](CS)C(=O)[O-]	investigational
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	ZINC000000057001	67/20/04/342672004	FAKRSMQSSFJEIM-RQJHMYQMSA-N	-1	217.29	BC	0.628	0	Mild	ref	BCEARM	C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-]	fda
COC(=O)c1cc(N)cc(C(=O)OC)c1	ZINC000000057151	82/18/20/383821820	DEKPYXUDJRABNK-UHFFFAOYSA-N	0	209.201	BC	0.842	0	Anodyne	ref	BCAARN	COC(=O)c1cc(N)cc(C(=O)OC)c1	 
COc1ccccc1OC[C@H](O)COC(N)=O	ZINC000000057340	34/14/48/175341448	GNXFOGHNGIVQEH-QMMMGPOBSA-N	0	241.243	BC	0.53	0	Anodyne	ref	BCAARN	COc1ccccc1OC[C@H](O)COC(N)=O	fda
COc1ccccc1OC[C@@H](O)COC(N)=O	ZINC000000057341	34/19/73/175341973	GNXFOGHNGIVQEH-MRVPVSSYSA-N	0	241.243	BC	0.53	0	Anodyne	ref	BCAARN	COc1ccccc1OC[C@@H](O)COC(N)=O	fda
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)O	ZINC000000057566	65/64/06/166656406	BENKAPCDIOILGV-RQJHMYQMSA-N	-1	231.248	BC	0.441	0	Anodyne	ref	BCAARM	CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	 
CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C	ZINC000000113446	60/96/22/170609622	HJLSLZFTEKNLFI-UHFFFAOYSA-N	0	247.276	BC	0.534	0	Bother	ref	BCBARN	CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C	fda
N[C@@H](Cc1cc(F)cc(F)c1)C(=O)O	ZINC000000113771	67/50/95/342675095	QFGMPXZFCIHYIR-QMMMGPOBSA-N	0	201.172	BC	0.919	0	Anodyne	ref	BCAARN	[NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)[O-]	in-vitro
O=C1c2ccccc2C(=O)N1C[C@H]1CO1	ZINC000000119624	61/60/43/384616043	DUILGEYLVHGSEE-ZETCQYMHSA-N	0	203.197	BC	0.681	0	Mild	ref	BCEARN	O=C1c2ccccc2C(=O)N1C[C@H]1CO1	in-vitro
O=C1c2ccccc2C(=O)N1C[C@@H]1CO1	ZINC000000119628	84/46/44/182844644	DUILGEYLVHGSEE-SSDOTTSWSA-N	0	203.197	BC	0.681	0	Mild	ref	BCEARN	O=C1c2ccccc2C(=O)N1C[C@@H]1CO1	in-vitro
O=C(O)c1cccc([N+](=O)[O-])c1C(=O)O	ZINC000000149795	25/57/18/385255718	KFIRODWJCYBBHY-UHFFFAOYSA-N	-2	211.129	BC	0.991	0	Bother	ref	BCBARL	O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)[O-]	in-vitro
CS(=O)(=O)c1ccc(C(=O)O)cc1	ZINC000000153751	83/65/02/383836502	AJBWNNKDUMXZLM-UHFFFAOYSA-N	-1	200.215	BC	0.788	0	Anodyne	ref	BCAARM	CS(=O)(=O)c1ccc(C(=O)[O-])cc1	 
CS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1	ZINC000000153774	26/43/06/385264306	QNOUABMNRMROSL-UHFFFAOYSA-N	-1	245.212	BC	0.697	0	Bother	ref	BCBARM	CS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	 
O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1	ZINC000000391981	08/85/97/358088597	QMKYBPDZANOJGF-UHFFFAOYSA-N	-3	210.141	BC	0.781	0	Anodyne	ref	BCAARL	O=C([O-])c1cc(C(=O)[O-])cc(C(=O)[O-])c1	in-vivo
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	ZINC000000403528	74/08/86/173740886	MZMNEDXVUJLQAF-SFYZADRCSA-N	0	245.275	BC	0.53	0	Anodyne	ref	BCAARN	COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C	in-vitro
CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)O	ZINC000000406502	64/28/97/166642897	CKYGSXRXTIKGAJ-ZETCQYMHSA-N	-1	229.232	BC	0.65	0	Anodyne	ref	BCAARM	CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)[O-]	 
CC(C)(C)OC(=O)N1CCO[C@@H](CO)C1	ZINC000001433185	65/00/86/166650086	FJYBLMJHXRWDAQ-MRVPVSSYSA-N	0	217.265	BC	0.615	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)N1CCO[C@@H](CO)C1	in-vitro
CC(C)(C)OC(=O)N1CCO[C@H](CO)C1	ZINC000001433186	70/08/73/342700873	FJYBLMJHXRWDAQ-QMMMGPOBSA-N	0	217.265	BC	0.615	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)N1CCO[C@H](CO)C1	in-vitro
CC(C)(C)OC(=O)N1CC[C@@H](C(N)=O)C1	ZINC000001437263	70/09/14/342700914	NHDGOVOBEZPXMY-SSDOTTSWSA-N	0	214.265	BC	0.729	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)N1CC[C@@H](C(N)=O)C1	 
CC(C)(C)OC(=O)N1CC[C@H](C(N)=O)C1	ZINC000001437264	70/09/31/342700931	NHDGOVOBEZPXMY-ZETCQYMHSA-N	0	214.265	BC	0.729	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)N1CC[C@H](C(N)=O)C1	 
Cc1ncc(COP(=O)(O)O)c(C=O)c1O	ZINC000001532514	16/03/73/180160373	NGVDGCNFYWLIFO-UHFFFAOYSA-N	-3	247.143	BC	0.517	3	Anodyne	high	BCAAHL	Cc1ncc(COP(=O)([O-])[O-])c(C=O)c1[O-]	world endogenous
Cc1ncc(COP(=O)(O)O)c(C=O)c1O	ZINC000001532514	16/03/70/180160370	NGVDGCNFYWLIFO-UHFFFAOYSA-N	-1	247.143	BC	0.517	2	Anodyne	low	BCAALM	Cc1ncc(CO[P@](=O)([O-])O)c(C=O)c1O	world endogenous
Cc1ncc(COP(=O)(O)O)c(C=O)c1O	ZINC000001532514	16/03/67/180160367	NGVDGCNFYWLIFO-UHFFFAOYSA-N	-1	247.143	BC	0.517	2	Anodyne	low	BCAALM	Cc1ncc(CO[P@@](=O)([O-])O)c(C=O)c1O	world endogenous
Cc1ncc(COP(=O)(O)O)c(C=O)c1O	ZINC000001532514	16/03/63/180160363	NGVDGCNFYWLIFO-UHFFFAOYSA-N	-2	247.143	BC	0.517	0	Anodyne	ref	BCAARL	Cc1ncc(COP(=O)([O-])[O-])c(C=O)c1O	world endogenous
O=C(O)c1ccccc1S(=O)(=O)O	ZINC000001670852	70/78/13/342707813	ZMPRRFPMMJQXPP-UHFFFAOYSA-N	-2	202.187	BC	0.632	0	Anodyne	ref	BCAARL	O=C([O-])c1ccccc1S(=O)(=O)[O-]	 
O=S(=O)(O)c1cccc(S(=O)(=O)O)c1	ZINC000001680423	90/36/92/182903692	WRUAHXANJKHFIL-UHFFFAOYSA-N	-2	238.242	BC	0.18	0	Anodyne	ref	BCAARL	O=S(=O)([O-])c1cccc(S(=O)(=O)[O-])c1	in-vitro
O=[N+]([O-])c1cccc(S(=O)(=O)O)c1	ZINC000001700193	16/54/19/357165419	ONMOULMPIIOVTQ-UHFFFAOYSA-N	-1	203.175	BC	0.842	0	Bother	ref	BCBARM	O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1	in-vitro
N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O	ZINC000001700281	54/28/31/181542831	BGGHCRNCRWQABU-JTQLQIEISA-N	0	237.255	BC	0.922	0	Anodyne	ref	BCAARN	[NH3+][C@@H](CCC(=O)OCc1ccccc1)C(=O)[O-]	 
CCOC(=O)C(C(=O)OCC)C(=O)OCC	ZINC000001712644	18/55/07/170185507	AGZPNUZBDCYTBB-UHFFFAOYSA-N	0	232.232	BC	0.292	0	Anodyne	ref	BCAARN	CCOC(=O)C(C(=O)OCC)C(=O)OCC	 
CCOC(=O)CC(C(=O)OCC)C(=O)OCC	ZINC000001718849	19/77/06/170197706	TVWZLLYAJDSSCJ-UHFFFAOYSA-N	0	246.259	BC	0.682	0	Anodyne	ref	BCAARN	CCOC(=O)CC(C(=O)OCC)C(=O)OCC	 
COc1nc(C)nc(Cl)c1N=C1NCCN1	ZINC000001854466	39/20/16/175392016	WPNJAUFVNXKLIM-UHFFFAOYSA-N	1	241.682	BC	0.627	1	Mild	mid	BCEAMO	COc1nc(C)nc(Cl)c1NC1=[NH+]CCN1	world
COc1nc(C)nc(Cl)c1N=C1NCCN1	ZINC000001854466	39/20/14/175392014	WPNJAUFVNXKLIM-UHFFFAOYSA-N	0	241.682	BC	0.627	0	Mild	ref	BCEARN	COc1nc(C)nc(Cl)c1NC1=NCCN1	world
COC(=O)c1nc(Cl)c(N)nc1N	ZINC000002004009	71/42/73/342714273	KOOBYHRLTYIPTH-UHFFFAOYSA-N	0	202.601	BC	0.081	0	Anodyne	ref	BCAARN	COC(=O)c1nc(Cl)c(N)nc1N	in-vitro
O=C1CCC(=O)N1I	ZINC000002141015	71/60/05/342716005	LQZMLBORDGWNPD-UHFFFAOYSA-N	0	224.985	BC	0.485	0	Anodyne	ref	BCAARN	O=C1CCC(=O)N1I	in-vitro
N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O	ZINC000002384794	71/95/58/342719558	PZZHRSVBHRVIMI-YFKPBYRVSA-N	-1	242.197	BC	0.247	1	Anodyne	mid	BCAAMM	[NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)[O-]	in-vitro
N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O	ZINC000002384794	71/95/54/342719554	PZZHRSVBHRVIMI-YFKPBYRVSA-N	-1	242.197	BC	0.247	0	Anodyne	ref	BCAARM	[NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)[O-]	in-vitro
CC(C)(C)OC(=O)CC[C@H](N)C(=O)O	ZINC000002391062	96/09/80/383960980	OIOAKXPMBIZAHL-LURJTMIESA-N	0	203.238	BC	0.52	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)CC[C@H]([NH3+])C(=O)[O-]	in-vitro
CC(C)(C)OC(=O)N1CCNC[C@H]1C(=O)O	ZINC000002391688	71/97/35/342719735	MPOFEHGMWPHBSF-ZETCQYMHSA-N	-1	230.264	BC	0.28	1	Anodyne	mid	BCAAMM	CC(C)(C)OC(=O)N1CCNC[C@H]1C(=O)[O-]	 
CC(C)(C)OC(=O)N1CCNC[C@H]1C(=O)O	ZINC000002391688	71/97/32/342719732	MPOFEHGMWPHBSF-ZETCQYMHSA-N	0	230.264	BC	0.28	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1C(=O)[O-]	 
Nc1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1	ZINC000002512955	72/16/56/342721656	DEMLNKQMKMBNIU-UHFFFAOYSA-N	-2	225.156	BC	0.363	1	Anodyne	mid	BCAAML	Nc1cc(C(=O)[O-])c(C(=O)O)c(C(=O)[O-])c1	 
Nc1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1	ZINC000002512955	72/16/51/342721651	DEMLNKQMKMBNIU-UHFFFAOYSA-N	-2	225.156	BC	0.363	0	Anodyne	ref	BCAARL	Nc1cc(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c1	 
Nc1nc(Cl)c(NC=O)c(Cl)n1	ZINC000002526849	72/26/88/342722688	XYWHZUCZNRMJGO-UHFFFAOYSA-N	0	207.02	BC	0.934	0	Anodyne	ref	BCAARN	Nc1nc(Cl)c(NC=O)c(Cl)n1	in-vitro
CN(C)C(Sc1cccc[n+]1[O-])=[N+](C)C	ZINC000002548485	39/85/48/172398548	YIXZNFPSRGJXHQ-UHFFFAOYSA-N	1	226.325	BC	0.602	0	Mild	ref	BCEARO	CN(C)C(Sc1cccc[n+]1[O-])=[N+](C)C	 
O=c1ccc(I)c[nH]1	ZINC000002559902	99/91/17/182999117	ZDJUNNCVIDKJAN-UHFFFAOYSA-N	0	220.997	BC	0.98	0	Anodyne	ref	BCAARN	O=c1ccc(I)c[nH]1	 
CNS(=O)(=O)Cc1ccc(N)cc1	ZINC000002567350	97/56/61/383975661	CIWNHTXCBHTWRV-UHFFFAOYSA-N	0	200.263	BC	0.318	0	Clean	ref	BCCARN	CNS(=O)(=O)Cc1ccc(N)cc1	in-vitro
CNS(=O)(=O)Cc1ccc(NN)cc1	ZINC000002567353	40/37/33/173403733	DZODFXKLAFRYEC-UHFFFAOYSA-N	0	215.278	BC	0.021	0	Anodyne	ref	BCAARN	CNS(=O)(=O)Cc1ccc(NN)cc1	in-vitro
CNS(=O)(=O)c1cc(OC)c(N)cc1OC	ZINC000002584004	65/21/92/388652192	CISVVDNATRQDNU-UHFFFAOYSA-N	0	246.288	BC	0.194	0	Anodyne	ref	BCAARN	CNS(=O)(=O)c1cc(OC)c(N)cc1OC	 
CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	ZINC000003644165	02/21/99/384022199	RDHQFKQIGNGIED-MRVPVSSYSA-O	0	204.246	BC	0.099	0	Bother	ref	BCBARN	CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	world endogenous
CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21	ZINC000003861807	50/22/19/346502219	APIXJSLKIYYUKG-UHFFFAOYSA-N	0	222.248	BC	0.079	0	Anodyne	ref	BCAARN	CC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c21	in-vivo
Cc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	ZINC000003865903	93/35/48/178933548	CLXWMMGXFSZUNP-UHFFFAOYSA-N	0	216.218	BC	0.551	0	Bother	ref	BCBARN	Cc1ccc([N+](=O)[O-])cc1S(N)(=O)=O	 
CC(C)(S)C(=O)N[C@H](CS)C(=O)O	ZINC000003871785	03/15/45/384031545	VUAFHZCUKUDDBC-SCSAIBSYSA-N	-1	223.319	BC	0.194	0	Mild	ref	BCEBRM	CC(C)(S)C(=O)N[C@H](CS)C(=O)[O-]	in-man
O=c1[nH]cnc2cc(F)c([N+](=O)[O-])cc12	ZINC000003888591	97/83/13/182978313	VTUAEMSZEIGQRM-UHFFFAOYSA-N	0	209.136	BC	0.97	0	Bother	ref	BCBARN	O=c1[nH]cnc2cc(F)c([N+](=O)[O-])cc12	in-vitro
CC(C)(C)OC(=O)N1CC(C(=O)O)C1	ZINC000004110308	74/25/49/342742549	NCADHSLPNSTDMJ-UHFFFAOYSA-N	-1	201.222	BC	0.938	0	Anodyne	ref	BCAARM	CC(C)(C)OC(=O)N1CC(C(=O)[O-])C1	 
CC(C)(C)OC(=O)N1CCN[C@H](C(=O)O)C1	ZINC000004202264	74/36/44/342743644	YRYAXQJXMBETAT-ZETCQYMHSA-N	-1	230.264	BC	0.28	1	Anodyne	mid	BCAAMM	CC(C)(C)OC(=O)N1CCN[C@H](C(=O)[O-])C1	 
CC(C)(C)OC(=O)N1CCN[C@H](C(=O)O)C1	ZINC000004202264	74/36/43/342743643	YRYAXQJXMBETAT-ZETCQYMHSA-N	0	230.264	BC	0.28	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)N1CC[NH2+][C@H](C(=O)[O-])C1	 
CC(C)(C)OC(=O)N1CCN[C@@H](C(=O)O)C1	ZINC000004202265	74/36/75/342743675	YRYAXQJXMBETAT-SSDOTTSWSA-N	-1	230.264	BC	0.28	1	Anodyne	mid	BCAAMM	CC(C)(C)OC(=O)N1CCN[C@@H](C(=O)[O-])C1	 
CC(C)(C)OC(=O)N1CCN[C@@H](C(=O)O)C1	ZINC000004202265	74/36/73/342743673	YRYAXQJXMBETAT-SSDOTTSWSA-N	0	230.264	BC	0.28	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)N1CC[NH2+][C@@H](C(=O)[O-])C1	 
CC(C)(C)OC(=O)N[C@@H]1COC(=O)C1	ZINC000004202786	74/39/24/342743924	XODLOLQRSQGSFE-LURJTMIESA-N	0	201.222	BC	0.827	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)N[C@@H]1COC(=O)C1	 
COC(=O)[C@@H]1C[C@@H](N)CN1C(=O)OC(C)(C)C	ZINC000004204041	74/39/87/342743987	IOLQYMRFIIVPMQ-SFYZADRCSA-N	1	244.291	BC	0.496	0	Anodyne	ref	BCAARO	COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)OC(C)(C)C	 
O=[N+]([O-])c1ccc(N2CCNCC2)nc1	ZINC000004204047	31/61/14/132316114	YEPRCPIKTUGVHG-UHFFFAOYSA-N	0	208.221	BC	0.399	3	Bother	high	BCBAHN	O=[N+]([O-])c1ccc(N2CCNCC2)nc1	 
O=[N+]([O-])c1ccc(N2CCNCC2)nc1	ZINC000004204047	31/61/13/132316113	YEPRCPIKTUGVHG-UHFFFAOYSA-N	1	208.221	BC	0.399	0	Bother	ref	BCBARO	O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)nc1	 
CC(C)(C)OC(=O)N1CC(=O)[C@@H](C#N)C1	ZINC000004241109	74/51/67/342745167	RKUQLKRPWWYRIG-ZETCQYMHSA-N	0	210.233	BC	0.946	0	Mild	ref	BCEARN	CC(C)(C)OC(=O)N1CC(=O)[C@@H](C#N)C1	 
CC(C)(C)OC(=O)N1CC(=O)[C@H](C#N)C1	ZINC000004241114	74/52/17/342745217	RKUQLKRPWWYRIG-SSDOTTSWSA-N	0	210.233	BC	0.946	0	Mild	ref	BCEARN	CC(C)(C)OC(=O)N1CC(=O)[C@H](C#N)C1	 
COC(=O)[C@H]1C[C@H](N)CN1C(=O)OC(C)(C)C	ZINC000004343364	05/59/38/384055938	IOLQYMRFIIVPMQ-JGVFFNPUSA-N	1	244.291	BC	0.496	0	Anodyne	ref	BCAARO	COC(=O)[C@H]1C[C@H]([NH3+])CN1C(=O)OC(C)(C)C	 
COc1cc2c(cc1OC)CC(=O)NCC2	ZINC000005720277	02/46/04/175024604	RXKTVGMZJMDNLF-UHFFFAOYSA-N	0	221.256	BC	0.919	0	Anodyne	ref	BCAARN	COc1cc2c(cc1OC)CC(=O)NCC2	 
COC(=O)c1sccc1S(N)(=O)=O	ZINC000005997456	92/36/56/173923656	PMXNPOJHBQDJKS-UHFFFAOYSA-N	0	221.259	BC	0.182	0	Anodyne	ref	BCAARN	COC(=O)c1sccc1S(N)(=O)=O	 
O=S(=O)(O)c1ccccc1OCO	ZINC000006095405	77/35/04/342773504	GUAPLPVVNZYPSJ-UHFFFAOYSA-N	-1	204.203	BC	0.262	0	Anodyne	ref	BCAARM	O=S(=O)([O-])c1ccccc1OCO	in-vitro
N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O	ZINC000006292525	77/59/27/342775927	PZZHRSVBHRVIMI-RXMQYKEDSA-N	-1	242.197	BC	0.247	1	Anodyne	mid	BCAAMM	[NH3+][C@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)[O-]	 
N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O	ZINC000006292525	77/59/26/342775926	PZZHRSVBHRVIMI-RXMQYKEDSA-N	0	242.197	BC	0.247	0	Anodyne	ref	BCAARN	[NH3+][C@H](CCCCNC(=O)C(F)(F)F)C(=O)[O-]	 
N=c1nc(N2CCCCC2)cc(N)n1O	ZINC000006507066	31/82/64/132318264	ZIMGGGWCDYVHOY-UHFFFAOYSA-N	0	209.253	BC	0.172	0	Anodyne	ref	BCAARN	N=c1nc(N2CCCCC2)cc(N)n1O	in-vitro
COC(=O)C(=O)c1c[nH]c2ncccc12	ZINC000006792669	78/33/85/342783385	LXGPNHJNIRDJER-UHFFFAOYSA-N	0	204.185	BC	0.919	1	Anodyne	mid	BCAAMN	COC(=O)C(=O)c1cnc2[nH]cccc1-2	in-vitro
COC(=O)C(=O)c1c[nH]c2ncccc12	ZINC000006792669	78/33/84/342783384	LXGPNHJNIRDJER-UHFFFAOYSA-N	0	204.185	BC	0.919	0	Anodyne	ref	BCAARN	COC(=O)C(=O)c1c[nH]c2ncccc12	in-vitro
N#Cc1cc2[nH]c(=O)c(O)nc2cc1[N+](=O)[O-]	ZINC000008662575	09/29/21/181092921	RPXVIAFEQBNEAX-UHFFFAOYSA-N	0	232.155	BC	0.409	0	Mild	ref	BCEARN	N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]	in-vitro
O=C(O)c1ncc(Br)cn1	ZINC000008698537	80/21/98/342802198	XGPTXUYKEDPXCO-UHFFFAOYSA-N	-1	202.995	BC	0.937	0	Anodyne	ref	BCAARM	O=C([O-])c1ncc(Br)cn1	 
COc1cc2nc[nH]c(=O)c2cc1OC	ZINC000012176824	02/83/98/175028398	DMSRMHGCZUXCMJ-UHFFFAOYSA-N	0	206.201	BC	0.94	0	Anodyne	ref	BCAARN	COc1cc2nc[nH]c(=O)c2cc1OC	 
CCOC(=O)/C(=N\OC)c1csc(N)n1	ZINC000012412172	18/05/55/170180555	POBMBNPEUPDXRS-WDZFZDKYSA-N	0	229.261	BC	0.639	0	Mild	ref	BCEARN	CCOC(=O)/C(=N\OC)c1csc(N)n1	 
N#Cc1nc2ccccc2nc1N1CCNCC1	ZINC000013832920	32/23/00/132322300	HZZLBNJRGZEWMQ-UHFFFAOYSA-N	0	239.282	BC	0.911	3	Mild	high	BCEBHN	N#Cc1nc2ccccc2nc1N1CCNCC1	 
N#Cc1nc2ccccc2nc1N1CCNCC1	ZINC000013832920	32/22/99/132322299	HZZLBNJRGZEWMQ-UHFFFAOYSA-N	1	239.282	BC	0.911	0	Mild	ref	BCEBRO	N#Cc1nc2ccccc2nc1N1CC[NH2+]CC1	 
Nc1ccc(S(=O)(=O)O)cc1C(=O)O	ZINC000014984309	82/33/37/322823337	MJNYPLCGWXFYPD-UHFFFAOYSA-N	-2	217.202	BC	0.214	0	Anodyne	ref	BCAARL	Nc1ccc(S(=O)(=O)[O-])cc1C(=O)[O-]	 
Nc1ncc(Br)nc1C(=O)O	ZINC000016082593	79/66/76/181796676	MTNAQEKMSVDTAQ-UHFFFAOYSA-N	-1	218.01	BC	0.52	0	Anodyne	ref	BCAARM	Nc1ncc(Br)nc1C(=O)[O-]	in-vitro
COc1nc(Br)cnc1N	ZINC000016082601	30/67/45/259306745	QDFJJHGAODFQMN-UHFFFAOYSA-N	0	204.027	BC	0.83	0	Anodyne	ref	BCAARN	COc1nc(Br)cnc1N	in-vitro
O=C([C@@H]1COc2ccccc2O1)N1CCNCC1	ZINC000019702069	95/40/49/342954049	FLUPDJNTYCSBJZ-LBPRGKRZSA-N	0	248.282	BC	0.258	1	Anodyne	mid	BCAAMN	O=C([C@@H]1COc2ccccc2O1)N1CCNCC1	in-vitro
O=C([C@@H]1COc2ccccc2O1)N1CCNCC1	ZINC000019702069	95/40/47/342954047	FLUPDJNTYCSBJZ-LBPRGKRZSA-N	1	248.282	BC	0.258	0	Anodyne	ref	BCAARO	O=C([C@@H]1COc2ccccc2O1)N1CC[NH2+]CC1	in-vitro
O=C([C@H]1COc2ccccc2O1)N1CCNCC1	ZINC000019702071	95/39/28/342953928	FLUPDJNTYCSBJZ-GFCCVEGCSA-N	0	248.282	BC	0.258	1	Anodyne	mid	BCAAMN	O=C([C@H]1COc2ccccc2O1)N1CCNCC1	in-vitro
O=C([C@H]1COc2ccccc2O1)N1CCNCC1	ZINC000019702071	95/39/27/342953927	FLUPDJNTYCSBJZ-GFCCVEGCSA-N	1	248.282	BC	0.258	0	Anodyne	ref	BCAARO	O=C([C@H]1COc2ccccc2O1)N1CC[NH2+]CC1	in-vitro
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1	ZINC000021297732	00/89/84/343008984	QUKAHFCVKNRRBU-QMMMGPOBSA-N	0	244.291	BC	0.368	0	Anodyne	ref	BCAARN	COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1	 
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1	ZINC000021297736	82/05/30/173820530	QUKAHFCVKNRRBU-MRVPVSSYSA-N	0	244.291	BC	0.368	0	Anodyne	ref	BCAARN	COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1	 
COC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C	ZINC000021297741	00/87/91/343008791	BRXKHIPPSTYCKO-QMMMGPOBSA-N	1	244.291	BC	0.368	2	Anodyne	low	BCAALO	COC(=O)[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C	 
COC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C	ZINC000021297741	00/87/88/343008788	BRXKHIPPSTYCKO-QMMMGPOBSA-N	0	244.291	BC	0.368	0	Anodyne	ref	BCAARN	COC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C	 
COC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C	ZINC000021297746	66/13/30/384661330	BRXKHIPPSTYCKO-MRVPVSSYSA-N	1	244.291	BC	0.368	2	Anodyne	low	BCAALO	COC(=O)[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C	 
COC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C	ZINC000021297746	66/13/09/384661309	BRXKHIPPSTYCKO-MRVPVSSYSA-N	0	244.291	BC	0.368	0	Anodyne	ref	BCAARN	COC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C	 
CC(C)(C)OC(=O)N1CCN(C(N)=S)CC1	ZINC000021986581	03/20/79/343032079	JBKRAGACGOPWFP-UHFFFAOYSA-N	0	245.348	BC	0.783	0	Anodyne	ref	BCAARN	CC(C)(C)OC(=O)N1CCN(C(N)=S)CC1	 
COc1ccc(C[C@@H](C)N)cc1S(N)(=O)=O	ZINC000021989067	03/24/71/343032471	IORITYIZDHJCGT-SSDOTTSWSA-N	1	244.316	BC	0.232	0	Anodyne	ref	BCAARO	COc1ccc(C[C@@H](C)[NH3+])cc1S(N)(=O)=O	in-vitro
COc1ccc(C[C@H](C)N)cc1S(N)(=O)=O	ZINC000021989070	03/24/55/343032455	IORITYIZDHJCGT-ZETCQYMHSA-N	1	244.316	BC	0.232	0	Anodyne	ref	BCAARO	COc1ccc(C[C@H](C)[NH3+])cc1S(N)(=O)=O	in-vitro
N[C@H](C[C@@H]1CNc2ccccc21)C(=O)O	ZINC000021991820	03/24/08/343032408	SPHNJDOWMOXSMT-VXNVDRBHSA-N	0	206.245	BC	0.998	0	Anodyne	ref	BCABRN	[NH3+][C@H](C[C@@H]1CNc2ccccc21)C(=O)[O-]