Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000000031348	69/95/34/181699534	WEHVQIQNGXWTME-UHFFFAOYSA-N	0	206.245	BC	0.741	0	Anodyne	ref	BCAARN	Nc1ccc(C(=O)N2CCOCC2)cc1	in-vitro
CC(=O)CN1C(=O)c2ccccc2C1=O	ZINC000000036650	75/49/49/187754949	STMRGLKPBJVVEG-UHFFFAOYSA-N	0	203.197	BC	0.872	0	Anodyne	ref	BCAARN	CC(=O)CN1C(=O)c2ccccc2C1=O	in-vitro
O=C(O)c1ccccc1C(=O)N1CCOCC1	ZINC000000038650	67/06/46/342670646	QXNQMHHGQWNYFY-UHFFFAOYSA-N	-1	235.239	BC	0.857	0	Anodyne	ref	BCAARM	O=C([O-])c1ccccc1C(=O)N1CCOCC1	 
CCOC(=O)[C@@H]1C(=O)NC[C@H]2CCC[C@H]21	ZINC000000038673	25/69/84/170256984	IOMQKGKNFVKWCE-HLTSFMKQSA-N	0	211.261	BC	0.712	3	Anodyne	high	BCAAHN	CCOC(=O)C1C(=O)NC[C@H]2CCC[C@@H]12	 
CCOC(=O)[C@@H]1C(=O)NC[C@H]2CCC[C@H]21	ZINC000000038673	25/69/81/170256981	IOMQKGKNFVKWCE-HLTSFMKQSA-N	0	211.261	BC	0.712	0	Anodyne	ref	BCAARN	CCOC(=O)[C@@H]1C(=O)NC[C@H]2CCC[C@H]21	 
CN1CCN(C(=O)c2ccccc2N)CC1	ZINC000000045771	07/29/72/173072972	PEIXOOFVMXCCCT-UHFFFAOYSA-N	1	219.288	BC	0.656	1	Anodyne	mid	BCAAMO	C[NH+]1CCN(C(=O)c2ccccc2N)CC1	 
CN1CCN(C(=O)c2ccccc2N)CC1	ZINC000000045771	07/29/69/173072969	PEIXOOFVMXCCCT-UHFFFAOYSA-N	0	219.288	BC	0.656	0	Anodyne	ref	BCAARN	CN1CCN(C(=O)c2ccccc2N)CC1	 
NC(=S)NNC(=S)Nc1ccc(F)cc1	ZINC000000046167	67/12/12/342671212	IUBRKXPNPOHVIY-UHFFFAOYSA-N	0	244.32	BC	0.86	0	Anodyne	ref	BCAARN	NC(=S)NNC(=S)Nc1ccc(F)cc1	 
NS(=O)(=O)c1cc(C(=O)O)ccc1F	ZINC000000051587	67/17/40/342671740	NGBMRUQCUCRKQN-UHFFFAOYSA-N	-1	219.193	BC	0.171	0	Anodyne	ref	BCAARM	NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	 
COc1cc(C=O)ccc1OCC(N)=O	ZINC000000054241	67/15/12/342671512	VGHIVGWATFYZKU-UHFFFAOYSA-N	0	209.201	BC	0.372	0	Anodyne	ref	BCAARN	COc1cc(C=O)ccc1OCC(N)=O	in-vitro biogenic
CC(=O)c1cccc(N/N=C(/C#N)C(N)=O)c1	ZINC000000054684	82/12/07/383821207	AVUUMEKNKPTOJD-GDNBJRDFSA-N	0	230.227	BC	0.666	0	Mild	ref	BCEARN	CC(=O)c1cccc(NN=C(C#N)C(N)=O)c1	 
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	 
O=C(O)CN1C(=O)c2ccccc2C1=O	ZINC000000064576	82/10/99/383821099	WQINSVOOIJDOLJ-UHFFFAOYSA-N	-1	205.169	BC	0.367	0	Anodyne	ref	BCAARM	O=C([O-])CN1C(=O)c2ccccc2C1=O	in-vitro
CCOc1ccc(N/N=C(/C(C)=O)C(N)=O)cc1	ZINC000000068793	67/27/62/342672762	ACSZNERKXRMGNL-PTNGSMBKSA-N	0	249.27	BC	0.927	0	Mild	ref	BCEARN	CCOc1ccc(NN=C(C(C)=O)C(N)=O)cc1	 
Cn1c(=O)n(C)c2cc([N+](=O)[O-])ccc21	ZINC000000073664	67/27/10/342672710	HGEXWKZJLRGOOB-UHFFFAOYSA-N	0	207.189	BC	0.785	0	Bother	ref	BCBARN	Cn1c(=O)n(C)c2cc([N+](=O)[O-])ccc21	 
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	 
O=C(O)c1ccc2c(=O)c(C(=O)O)c[nH]c2c1	ZINC000000121054	55/33/62/344553362	QLHSVJRXHWXBHT-UHFFFAOYSA-N	-2	233.179	BC	0.924	0	Anodyne	ref	BCAARL	O=C([O-])c1ccc2c(O)c(C(=O)[O-])cnc2c1	 
NC(=O)c1cccc(NC(=O)CCC(=O)O)c1	ZINC000000125372	30/44/00/181304400	IQDYBIOBYSQBQY-UHFFFAOYSA-N	-1	236.227	BC	0.589	0	Anodyne	ref	BCAARM	NC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1	 
CC1(C)CC2(CC(C)(C)NC(=O)N2)NC(=O)N1	ZINC000000134161	83/34/06/383833406	VQACAWOJMMCZHK-UHFFFAOYSA-N	0	240.307	BC	0.646	0	Anodyne	ref	BCAARN	CC1(C)CC2(CC(C)(C)NC(=O)N2)NC(=O)N1	 
Nc1ccccc1C(=O)N1CCOCC1	ZINC000000134248	75/25/65/181752565	LFLIOZKEABTZIF-UHFFFAOYSA-N	0	206.245	BC	0.741	0	Anodyne	ref	BCAARN	Nc1ccccc1C(=O)N1CCOCC1	 
CC(=O)N[C@@H](Cc1ccccc1)C(=O)O	ZINC000000135391	83/22/68/383832268	CBQJSKKFNMDLON-JTQLQIEISA-N	-1	207.229	BC	0.818	0	Anodyne	ref	BCAARM	CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	world endogenous
CC(=O)N[C@H](Cc1ccccc1)C(=O)O	ZINC000000135392	09/91/16/188099116	CBQJSKKFNMDLON-SNVBAGLBSA-N	-1	207.229	BC	0.818	0	Anodyne	ref	BCAARM	CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	in-man endogenous
O=C(O)Cn1cnc2ccccc2c1=O	ZINC000000141049	83/27/56/383832756	BBBICQPTZBHLBM-UHFFFAOYSA-N	-1	204.185	BC	0.481	0	Anodyne	ref	BCAARM	O=C([O-])Cn1cnc2ccccc2c1=O	 
CC(=O)N(C)CCc1ccc(C)[n+]([O-])c1	ZINC000000142363	24/43/18/187244318	LTGFVOPKQATPOA-UHFFFAOYSA-N	0	208.261	BC	0.649	0	Anodyne	ref	BCAARN	CC(=O)N(C)CCc1ccc(C)[n+]([O-])c1	 
NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1	ZINC000000142557	67/71/45/342677145	SSDPZCODJYXHBE-UHFFFAOYSA-N	0	240.284	BC	0.682	0	Anodyne	ref	BCAARN	NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1	 
COC(=O)NN1C(=O)c2ccccc2C1=O	ZINC000000143529	67/70/07/342677007	SWEDZIJLFIPWTR-UHFFFAOYSA-N	0	220.184	BC	0.554	0	Anodyne	ref	BCAARN	COC(=O)NN1C(=O)c2ccccc2C1=O	 
CN(C)S(=O)(=O)c1ccc(N)cc1	ZINC000000167758	67/90/53/342679053	BABGMPQXLCJMSK-UHFFFAOYSA-N	0	200.263	BC	0.519	0	Anodyne	ref	BCAARN	CN(C)S(=O)(=O)c1ccc(N)cc1	 
CCOC(=O)c1sc(NN)nc1C	ZINC000000194092	31/09/12/170310912	AKDLXADPIMDRES-UHFFFAOYSA-N	-1	201.251	BC	0.914	1	Anodyne	mid	BCAAMM	CCOC(=O)c1sc(=NN)[n-]c1C	 
CCOC(=O)c1sc(NN)nc1C	ZINC000000194092	31/09/10/170310910	AKDLXADPIMDRES-UHFFFAOYSA-N	0	201.251	BC	0.914	1	Anodyne	mid	BCAAMN	CCOC(=O)c1sc(NN)nc1C	 
CCOC(=O)c1sc(NN)nc1C	ZINC000000194092	31/09/08/170310908	AKDLXADPIMDRES-UHFFFAOYSA-N	0	201.251	BC	0.914	0	Anodyne	ref	BCAARN	CCOC(=O)c1sc(=NN)[nH]c1C	 
O=C(O)/C=C/C(=O)Nc1ccccc1O	ZINC000000221140	84/44/26/383844426	HCNVCDRKIVGJOO-AATRIKPKSA-N	-2	207.185	BC	0.971	3	Anodyne	high	BCAAHL	O=C([O-])/C=C/C(=O)Nc1ccccc1[O-]	 
O=C(O)/C=C/C(=O)Nc1ccccc1O	ZINC000000221140	84/44/06/383844406	HCNVCDRKIVGJOO-AATRIKPKSA-N	-1	207.185	BC	0.971	0	Anodyne	ref	BCAARM	O=C([O-])/C=C/C(=O)Nc1ccccc1O	 
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)c1ccccc1NC(=O)CCC(=O)O	ZINC000000257204	30/67/97/181306797	HRLIYPIUNLRQHA-UHFFFAOYSA-N	-1	236.227	BC	0.589	0	Anodyne	ref	BCAARM	NC(=O)c1ccccc1NC(=O)CCC(=O)[O-]	 
CS(=O)(=O)Nc1ccccc1C(=O)O	ZINC000000283105	43/37/18/175433718	VESLFCBOKMWCRG-UHFFFAOYSA-N	-1	215.23	BC	0.756	0	Anodyne	ref	BCAARM	CS(=O)(=O)Nc1ccccc1C(=O)[O-]	 
O=C(NN1C(=O)c2ccccc2C1=O)C1CC1	ZINC000000358524	27/59/41/182275941	WDRVJDIBRXUICS-UHFFFAOYSA-N	0	230.223	BC	0.724	0	Anodyne	ref	BCAARN	O=C(NN1C(=O)c2ccccc2C1=O)C1CC1	 
O=C1CN(C(=O)COc2ccccc2)CCN1	ZINC000000359136	68/46/47/342684647	VQOCCTAPSDVOOO-UHFFFAOYSA-N	0	234.255	BC	0.024	0	Anodyne	ref	BCAARN	O=C1CN(C(=O)COc2ccccc2)CCN1	 
CC(C)NS(=O)(=O)c1ccc(N)cc1	ZINC000000359206	12/92/68/167129268	QYCULOSSKUXFNP-UHFFFAOYSA-N	0	214.29	BC	0.956	0	Anodyne	ref	BCAARN	CC(C)NS(=O)(=O)c1ccc(N)cc1	 
CCOc1ccc(N/N=C(/C#N)C(N)=O)cc1	ZINC000000359223	54/96/43/170549643	SXRHRBQAXWZTFE-GDNBJRDFSA-N	0	232.243	BC	0.862	0	Mild	ref	BCEARN	CCOc1ccc(NN=C(C#N)C(N)=O)cc1	 
N#CC(C#N)=NNc1ccc(S(N)(=O)=O)cc1	ZINC000000378210	86/04/87/383860487	TWBVMOQTLIEEFC-UHFFFAOYSA-N	0	249.255	BC	0.149	0	Mild	ref	BCEARN	N#CC(C#N)=NNc1ccc(S(N)(=O)=O)cc1	 
Cc1ccc(S(=O)(=O)CCO)cc1	ZINC000000396143	86/38/55/383863855	QJFIXBNLKARINT-UHFFFAOYSA-N	0	200.259	BC	0.761	0	Anodyne	ref	BCAARN	Cc1ccc(S(=O)(=O)CCO)cc1	 
CCOC(=O)[C@H]1CN(C(=O)OCC)CC1=O	ZINC000000401372	28/22/02/170282202	HJSVNVFKQKIQFI-ZETCQYMHSA-N	0	229.232	BC	0.207	1	Anodyne	mid	BCAAMN	CCOC(=O)C1=C(O)CN(C(=O)OCC)C1	 
CCOC(=O)[C@H]1CN(C(=O)OCC)CC1=O	ZINC000000401372	28/22/01/170282201	HJSVNVFKQKIQFI-ZETCQYMHSA-N	0	229.232	BC	0.207	0	Anodyne	ref	BCAARN	CCOC(=O)[C@H]1CN(C(=O)OCC)CC1=O	 
CCOC(=O)[C@@H]1CN(C(=O)OCC)CC1=O	ZINC000000401373	25/95/40/170259540	HJSVNVFKQKIQFI-SSDOTTSWSA-N	0	229.232	BC	0.207	1	Anodyne	mid	BCAAMN	CCOC(=O)C1=C(O)CN(C(=O)OCC)C1	 
CCOC(=O)[C@@H]1CN(C(=O)OCC)CC1=O	ZINC000000401373	25/95/38/170259538	HJSVNVFKQKIQFI-SSDOTTSWSA-N	0	229.232	BC	0.207	0	Anodyne	ref	BCAARN	CCOC(=O)[C@@H]1CN(C(=O)OCC)CC1=O	 
O=C1CCC(=O)N1N1C(=O)c2ccccc2C1=O	ZINC000000588000	72/25/55/182722555	ZXWQGVZXWDSHND-UHFFFAOYSA-N	0	244.206	BC	0.347	0	Anodyne	ref	BCAARN	O=C1CCC(=O)N1N1C(=O)c2ccccc2C1=O	 
NC(=O)[C@@H]1CCCN(Cc2ccco2)C1	ZINC000000757423	26/92/49/181269249	PXPNRPMGJSXBEM-SECBINFHSA-N	0	208.261	BC	0.977	3	Anodyne	high	BCAAHN	NC(=O)[C@@H]1CCCN(Cc2ccco2)C1	 
NC(=O)[C@@H]1CCCN(Cc2ccco2)C1	ZINC000000757423	26/92/47/181269247	PXPNRPMGJSXBEM-SECBINFHSA-N	1	208.261	BC	0.977	1	Anodyne	mid	BCAAMO	NC(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1	 
NC(=O)[C@@H]1CCCN(Cc2ccco2)C1	ZINC000000757423	26/92/45/181269245	PXPNRPMGJSXBEM-SECBINFHSA-N	1	208.261	BC	0.977	0	Anodyne	ref	BCAARO	NC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1	 
NC(=O)[C@H]1CCCN(Cc2ccco2)C1	ZINC000000757425	28/10/68/181281068	PXPNRPMGJSXBEM-VIFPVBQESA-N	0	208.261	BC	0.977	3	Anodyne	high	BCAAHN	NC(=O)[C@H]1CCCN(Cc2ccco2)C1	 
NC(=O)[C@H]1CCCN(Cc2ccco2)C1	ZINC000000757425	28/10/65/181281065	PXPNRPMGJSXBEM-VIFPVBQESA-N	1	208.261	BC	0.977	1	Anodyne	mid	BCAAMO	NC(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1	 
NC(=O)[C@H]1CCCN(Cc2ccco2)C1	ZINC000000757425	28/10/63/181281063	PXPNRPMGJSXBEM-VIFPVBQESA-N	1	208.261	BC	0.977	0	Anodyne	ref	BCAARO	NC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1	 
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	 
NC(=S)N/N=C/c1ccc([N+](=O)[O-])o1	ZINC000000967470	31/71/08/181317108	XWUHTDIIQSYUDH-FPYGCLRLSA-N	0	214.206	BC	0.355	0	Mild	ref	BCEARN	NC(=S)N/N=C/c1ccc([N+](=O)[O-])o1	 
CC(=O)NC(=S)Nc1ccc(C(N)=O)cc1	ZINC000001003786	27/32/70/188273270	RHZXUGNAHPZBFK-UHFFFAOYSA-N	0	237.284	BC	0.618	0	Anodyne	ref	BCAARN	CC(=O)NC(=S)Nc1ccc(C(N)=O)cc1	 
O=C(O)C[C@@H]1C(=O)NCCN1C1CCCC1	ZINC000001236666	89/05/52/383890552	KNWYOLQFIYDLLL-SECBINFHSA-N	-1	226.276	BC	0.204	1	Anodyne	mid	BCAAMM	O=C([O-])C[C@@H]1C(=O)NCCN1C1CCCC1	 
O=C(O)C[C@@H]1C(=O)NCCN1C1CCCC1	ZINC000001236666	89/05/46/383890546	KNWYOLQFIYDLLL-SECBINFHSA-N	0	226.276	BC	0.204	1	Anodyne	mid	BCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1	 
O=C(O)C[C@@H]1C(=O)NCCN1C1CCCC1	ZINC000001236666	89/05/25/383890525	KNWYOLQFIYDLLL-SECBINFHSA-N	0	226.276	BC	0.204	0	Anodyne	ref	BCAARN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1	 
O=C(O)C[C@H]1C(=O)NCCN1C1CCCC1	ZINC000001236668	89/17/07/383891707	KNWYOLQFIYDLLL-VIFPVBQESA-N	-1	226.276	BC	0.204	1	Anodyne	mid	BCAAMM	O=C([O-])C[C@H]1C(=O)NCCN1C1CCCC1	 
O=C(O)C[C@H]1C(=O)NCCN1C1CCCC1	ZINC000001236668	89/17/04/383891704	KNWYOLQFIYDLLL-VIFPVBQESA-N	0	226.276	BC	0.204	1	Anodyne	mid	BCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1C1CCCC1	 
O=C(O)C[C@H]1C(=O)NCCN1C1CCCC1	ZINC000001236668	89/16/98/383891698	KNWYOLQFIYDLLL-VIFPVBQESA-N	0	226.276	BC	0.204	0	Anodyne	ref	BCAARN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1	 
COC(=O)CN1Cc2ccccc2C1=O	ZINC000001385164	69/93/97/342699397	UWCZAKDBXHZFFX-UHFFFAOYSA-N	0	205.213	BC	0.815	0	Anodyne	ref	BCAARN	COC(=O)CN1Cc2ccccc2C1=O	 
CON(C)C(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000001634795	70/65/12/342706512	PWQIGBOSLQHOBT-SSDOTTSWSA-N	0	232.28	BC	0.919	0	Anodyne	ref	BCAARN	CON(C)C(=O)[C@@H](C)NC(=O)OC(C)(C)C	 
O=C1C=C(S(=O)(=O)O)c2ccccc2C1=O	ZINC000001669713	70/78/96/342707896	PZTGRDMCBZUJDL-UHFFFAOYSA-N	-1	238.22	BC	0.681	0	Mild	ref	BCEARM	O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O	in-vitro
O=C1c2ccccc2C(=O)N1CCCO	ZINC000001672487	91/99/87/383919987	BSMILTTURCQDGJ-UHFFFAOYSA-N	0	205.213	BC	0.665	0	Anodyne	ref	BCAARN	O=C1c2ccccc2C(=O)N1CCCO	 
CN(C)c1ccc(C[C@@H](N)C(=O)O)cc1	ZINC000001675144	70/83/09/342708309	USEYFCOAPFGKLX-SNVBAGLBSA-N	0	208.261	BC	0.707	0	Anodyne	ref	BCAARN	CN(C)c1ccc(C[C@@H]([NH3+])C(=O)[O-])cc1	 
O=C(O)c1cc(S(=O)(=O)O)ccc1O	ZINC000001680376	70/84/96/342708496	YCPXWRQRBFJBPZ-UHFFFAOYSA-N	-2	218.186	BC	0.337	0	Anodyne	ref	BCAARL	O=C([O-])c1cc(S(=O)(=O)[O-])ccc1O	in-man endogenous
CCOC(=O)CNC(=O)c1ccccc1	ZINC000001748026	22/47/51/170224751	PTXRQIPIELXJFH-UHFFFAOYSA-N	0	207.229	BC	0.979	0	Anodyne	ref	BCAARN	CCOC(=O)CNC(=O)c1ccccc1	 
CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926598	71/36/61/342713661	OHVZFAKJLVVGKW-MRVPVSSYSA-N	-1	228.292	BC	0.308	1	Anodyne	mid	BCAAMM	CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926598	71/36/60/342713660	OHVZFAKJLVVGKW-MRVPVSSYSA-N	0	228.292	BC	0.308	1	Anodyne	mid	BCAAMN	CC(C)(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926598	71/36/58/342713658	OHVZFAKJLVVGKW-MRVPVSSYSA-N	0	228.292	BC	0.308	0	Anodyne	ref	BCAARN	CC(C)(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926600	71/36/06/342713606	OHVZFAKJLVVGKW-QMMMGPOBSA-N	-1	228.292	BC	0.308	1	Anodyne	mid	BCAAMM	CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926600	71/36/05/342713605	OHVZFAKJLVVGKW-QMMMGPOBSA-N	0	228.292	BC	0.308	1	Anodyne	mid	BCAAMN	CC(C)(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926600	71/36/04/342713604	OHVZFAKJLVVGKW-QMMMGPOBSA-N	0	228.292	BC	0.308	0	Anodyne	ref	BCAARN	CC(C)(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926625	94/16/96/383941696	MARIFOWYUTYWLP-SECBINFHSA-N	0	226.276	BC	0.228	1	Anodyne	mid	BCAAMN	CC(C)=CC[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926625	94/16/92/383941692	MARIFOWYUTYWLP-SECBINFHSA-N	0	226.276	BC	0.228	1	Anodyne	mid	BCAAMN	CC(C)=CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926625	94/16/88/383941688	MARIFOWYUTYWLP-SECBINFHSA-N	-1	226.276	BC	0.228	0	Anodyne	ref	BCAARM	CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926627	94/06/12/383940612	MARIFOWYUTYWLP-VIFPVBQESA-N	0	226.276	BC	0.228	1	Anodyne	mid	BCAAMN	CC(C)=CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926627	94/06/09/383940609	MARIFOWYUTYWLP-VIFPVBQESA-N	0	226.276	BC	0.228	1	Anodyne	mid	BCAAMN	CC(C)=CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926627	94/06/03/383940603	MARIFOWYUTYWLP-VIFPVBQESA-N	-1	226.276	BC	0.228	0	Anodyne	ref	BCAARM	CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)[O-]	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccoc1	ZINC000001926629	47/73/54/182477354	OBNITAJGFOUFBA-SECBINFHSA-N	-1	238.243	BC	0.055	0	Anodyne	ref	BCAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccoc1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccoc1	ZINC000001926631	94/18/78/383941878	OBNITAJGFOUFBA-VIFPVBQESA-N	-1	238.243	BC	0.055	0	Anodyne	ref	BCAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccoc1	 
CC(C)CCN1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926673	94/11/04/383941104	YQJBOZOURRLWKG-SECBINFHSA-N	-1	228.292	BC	0.308	1	Anodyne	mid	BCAAMM	CC(C)CCN1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)CCN1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926673	94/10/98/383941098	YQJBOZOURRLWKG-SECBINFHSA-N	0	228.292	BC	0.308	1	Anodyne	mid	BCAAMN	CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)CCN1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926673	94/10/93/383941093	YQJBOZOURRLWKG-SECBINFHSA-N	0	228.292	BC	0.308	0	Anodyne	ref	BCAARN	CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926675	94/10/13/383941013	YQJBOZOURRLWKG-VIFPVBQESA-N	-1	228.292	BC	0.308	1	Anodyne	mid	BCAAMM	CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926675	94/10/10/383941010	YQJBOZOURRLWKG-VIFPVBQESA-N	0	228.292	BC	0.308	1	Anodyne	mid	BCAAMN	CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926675	94/10/04/383941004	YQJBOZOURRLWKG-VIFPVBQESA-N	0	228.292	BC	0.308	0	Anodyne	ref	BCAARN	CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccco1	ZINC000001926681	94/08/57/383940857	YDJCMWZZRHTEMF-SECBINFHSA-N	-1	238.243	BC	0.055	0	Anodyne	ref	BCAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccco1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccco1	ZINC000001926683	94/04/69/383940469	YDJCMWZZRHTEMF-VIFPVBQESA-N	-1	238.243	BC	0.055	0	Anodyne	ref	BCAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccco1	 
CN(C)c1ccc(C[C@H](N)C(=O)O)cc1	ZINC000002047928	71/55/57/342715557	USEYFCOAPFGKLX-JTQLQIEISA-N	0	208.261	BC	0.707	0	Anodyne	ref	BCAARN	CN(C)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1	in-vitro