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
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	ZINC000000156395	40/74/87/187407487	CAHKINHBCWCHCF-JTQLQIEISA-N	-1	223.228	BC	0.524	0	Anodyne	ref	BCAARM	CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	in-man endogenous
O=c1c2ccccc2nc2n1CC[C@H]2O	ZINC000000265484	68/15/97/342681597	SDIVYZXRQHWCKF-SECBINFHSA-N	0	202.213	BC	0.834	0	Anodyne	ref	BCAARN	O=c1c2ccccc2nc2n1CC[C@H]2O	in-vitro biogenic
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O	ZINC000000396118	41/10/26/574411026	CAHKINHBCWCHCF-SNVBAGLBSA-N	-1	223.228	BC	0.524	0	Anodyne	ref	BCAARM	CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	in-vitro endogenous
COc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1	ZINC000000399350	11/71/30/175117130	HRUASHPCEMXOMR-NSHDSACASA-N	-1	237.255	BC	0.827	0	Anodyne	ref	BCAARM	COc1ccc(C[C@H](NC(C)=O)C(=O)[O-])cc1	in-vitro biogenic
COc1ccc(C[C@@H](NC(C)=O)C(=O)O)cc1	ZINC000000399351	11/58/94/175115894	HRUASHPCEMXOMR-LLVKDONJSA-N	-1	237.255	BC	0.827	0	Anodyne	ref	BCAARM	COc1ccc(C[C@@H](NC(C)=O)C(=O)[O-])cc1	in-vitro biogenic
CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C1=O	ZINC000000517336	38/61/67/385386167	SZJNCZMRZAUNQT-BDAKNGLRSA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCAARN	CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C1=O	in-man endogenous
CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C1=O	ZINC000000517337	60/85/36/386608536	SZJNCZMRZAUNQT-RKDXNWHRSA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCAARN	CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C1=O	in-man endogenous
O=C1N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]12	ZINC000000967981	70/33/52/385703352	QZBUWPVZSXDWSB-VXGBXAGGSA-N	0	244.294	BC	0.718	0	Anodyne	ref	BCAARN	O=C1N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]12	in-vitro biogenic
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]12	ZINC000001557594	81/81/45/182818145	QZBUWPVZSXDWSB-RYUDHWBXSA-N	0	244.294	BC	0.718	0	Anodyne	ref	BCAARN	O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]12	in-vitro biogenic
O=C1N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]12	ZINC000001557595	12/60/24/387126024	QZBUWPVZSXDWSB-NEPJUHHUSA-N	0	244.294	BC	0.718	0	Anodyne	ref	BCAARN	O=C1N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]12	in-vitro biogenic
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12	ZINC000001557596	57/30/65/388573065	QZBUWPVZSXDWSB-NWDGAFQWSA-N	0	244.294	BC	0.718	0	Anodyne	ref	BCAARN	O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12	in-vitro biogenic
O=C(O)C(Cc1ccc(O)cc1)C(=O)O	ZINC000002505456	78/05/14/342780514	JXJNPXPDKYRHJT-UHFFFAOYSA-N	-2	210.185	BC	0.72	0	Anodyne	ref	BCAARL	O=C([O-])C(Cc1ccc(O)cc1)C(=O)[O-]	in-vitro biogenic
COc1cc(=O)oc([C@H](C)[C@@H](C)O)c1CO	ZINC000003652956	85/86/21/367858621	BSXCHPRMOOSCRM-RNFRBKRXSA-N	0	228.244	BC	0.625	0	Anodyne	ref	BCAARN	COc1cc(=O)oc([C@H](C)[C@@H](C)O)c1CO	in-vitro biogenic
COc1cc(=O)oc([C@@H](C)[C@@H](C)O)c1CO	ZINC000003652959	85/87/62/367858762	BSXCHPRMOOSCRM-NKWVEPMBSA-N	0	228.244	BC	0.625	0	Anodyne	ref	BCAARN	COc1cc(=O)oc([C@@H](C)[C@@H](C)O)c1CO	in-vitro biogenic
COc1cc(=O)oc([C@H](C)[C@H](C)O)c1CO	ZINC000003652960	85/90/12/367859012	BSXCHPRMOOSCRM-RQJHMYQMSA-N	0	228.244	BC	0.625	0	Anodyne	ref	BCAARN	COc1cc(=O)oc([C@H](C)[C@H](C)O)c1CO	in-vitro biogenic
COc1cc(=O)oc([C@@H](C)[C@H](C)O)c1CO	ZINC000003652961	85/88/20/367858820	BSXCHPRMOOSCRM-BQBZGAKWSA-N	0	228.244	BC	0.625	0	Anodyne	ref	BCAARN	COc1cc(=O)oc([C@@H](C)[C@H](C)O)c1CO	in-vitro biogenic
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C1=O	ZINC000004023242	15/73/09/188157309	SZJNCZMRZAUNQT-DTWKUNHWSA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCAARN	CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C1=O	in-man endogenous
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O	ZINC000004023243	11/88/12/356118812	SZJNCZMRZAUNQT-IUCAKERBSA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCAARN	CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O	in-man endogenous
O=C1C=C[C@@H]2O[C@H](c3ccccc3)[C@@H](O)[C@@H]2O1	ZINC000004098425	74/23/35/342742335	ZKIRVBNLJKGIEM-WKSBVSIWSA-N	0	232.235	BC	0.969	0	Anodyne	ref	BCAARN	O=C1C=C[C@@H]2O[C@H](c3ccccc3)[C@@H](O)[C@@H]2O1	in-vitro biogenic
O=CN[C@H](Cc1c[nH]c2ccccc12)C(=O)O	ZINC000005224838	41/24/64/574412464	RNEMLJPSSOJRHX-LLVKDONJSA-N	-1	232.239	BC	0.91	0	Anodyne	ref	BCAARM	O=CN[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	in-vitro endogenous
O=CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	ZINC000005280394	41/25/03/574412503	RNEMLJPSSOJRHX-NSHDSACASA-N	-1	232.239	BC	0.91	0	Anodyne	ref	BCAARM	O=CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	in-vitro endogenous
O=C1C=C[C@@H]2O[C@H](c3ccccc3)[C@H](O)[C@H]2O1	ZINC000005664645	58/51/73/346585173	ZKIRVBNLJKGIEM-SYEHKZFSSA-N	0	232.235	BC	0.969	0	Anodyne	ref	BCAARN	O=C1C=C[C@@H]2O[C@H](c3ccccc3)[C@H](O)[C@H]2O1	in-vitro biogenic
O=C1C=C[C@@H]2O[C@@H](c3ccccc3)[C@H](O)[C@H]2O1	ZINC000005664647	26/80/63/346268063	ZKIRVBNLJKGIEM-BQUFFADESA-N	0	232.235	BC	0.969	0	Anodyne	ref	BCABRN	O=C1C=C[C@@H]2O[C@@H](c3ccccc3)[C@H](O)[C@H]2O1	in-vitro biogenic
O=C1C=C[C@@H]2O[C@H](c3ccccc3)[C@@H](O)[C@H]2O1	ZINC000005664650	58/48/66/346584866	ZKIRVBNLJKGIEM-SQNXGDPESA-N	0	232.235	BC	0.969	0	Anodyne	ref	BCAARN	O=C1C=C[C@@H]2O[C@H](c3ccccc3)[C@@H](O)[C@H]2O1	in-vitro biogenic
O=C1C=C[C@@H]2O[C@@H](c3ccccc3)[C@@H](O)[C@H]2O1	ZINC000005664653	26/80/78/346268078	ZKIRVBNLJKGIEM-RYDUCSDGSA-N	0	232.235	BC	0.969	0	Anodyne	ref	BCABRN	O=C1C=C[C@@H]2O[C@@H](c3ccccc3)[C@@H](O)[C@H]2O1	in-vitro biogenic
CC(C)CCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO	ZINC000005758862	82/40/27/166824027	MZARLLPKPUWXEX-VWYCJHECSA-N	0	230.304	BC	0.955	0	Anodyne	ref	BCAARN	CC(C)CCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO	in-vitro biogenic
CC(C)CCC[C@H](O)[C@@H]1C(=O)OC[C@H]1CO	ZINC000005758864	67/11/21/385671121	MZARLLPKPUWXEX-OUAUKWLOSA-N	0	230.304	BC	0.955	0	Anodyne	ref	BCAARN	CC(C)CCC[C@H](O)[C@@H]1C(=O)OC[C@H]1CO	in-vitro biogenic
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000005761186	26/52/01/349265201	OQQPOHUVAQPSHJ-VXGBXAGGSA-N	0	246.31	BC	0.868	0	Anodyne	ref	BCAARN	CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O	 
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000005761187	26/52/18/349265218	OQQPOHUVAQPSHJ-NWDGAFQWSA-N	0	246.31	BC	0.868	0	Anodyne	ref	BCAARN	CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O	 
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000005761412	15/76/59/188157659	OQQPOHUVAQPSHJ-NEPJUHHUSA-N	0	246.31	BC	0.868	0	Anodyne	ref	BCAARN	CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O	 
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000005761413	26/61/60/349266160	OQQPOHUVAQPSHJ-RYUDHWBXSA-N	0	246.31	BC	0.868	0	Anodyne	ref	BCAARN	CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O	in-vitro biogenic
CCCCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO	ZINC000005820896	15/03/40/351150340	ONFPUQOPHZOEKF-UTLUCORTSA-N	0	216.277	BC	0.709	0	Anodyne	ref	BCAARN	CCCCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO	in-vitro biogenic
CCCCC[C@H](O)[C@@H]1C(=O)OC[C@H]1CO	ZINC000005820903	15/06/51/351150651	ONFPUQOPHZOEKF-KXUCPTDWSA-N	0	216.277	BC	0.709	0	Anodyne	ref	BCAARN	CCCCC[C@H](O)[C@@H]1C(=O)OC[C@H]1CO	in-vitro biogenic
COc1cc(C[C@H](O)CO)cc(OC)c1OC	ZINC000005998992	98/78/86/174987886	SNDFRVPKIVPGED-VIFPVBQESA-N	0	242.271	BC	0.608	0	Anodyne	ref	BCAARN	COc1cc(C[C@H](O)CO)cc(OC)c1OC	in-vitro biogenic
COc1cc(C[C@@H](O)CO)cc(OC)c1OC	ZINC000005998998	36/68/45/351366845	SNDFRVPKIVPGED-SECBINFHSA-N	0	242.271	BC	0.608	0	Anodyne	ref	BCAARN	COc1cc(C[C@@H](O)CO)cc(OC)c1OC	in-vitro biogenic
O=C1C=C[C@@H]2O[C@H](c3ccccc3)[C@H](O)[C@@H]2O1	ZINC000006575643	23/93/01/360239301	ZKIRVBNLJKGIEM-FTYKPCCVSA-N	0	232.235	BC	0.969	0	Anodyne	ref	BCAARN	O=C1C=C[C@@H]2O[C@H](c3ccccc3)[C@H](O)[C@@H]2O1	in-vitro biogenic
CC(=O)c1c(O)cc(O)cc1CC(=O)O	ZINC000013306196	71/20/53/386712053	JAHPPWGWEUVLMS-UHFFFAOYSA-N	-2	210.185	BC	0.927	1	Anodyne	mid	BCAAML	CC(=O)c1c(O)cc([O-])cc1CC(=O)[O-]	in-vitro biogenic
CC(=O)c1c(O)cc(O)cc1CC(=O)O	ZINC000013306196	71/20/35/386712035	JAHPPWGWEUVLMS-UHFFFAOYSA-N	-1	210.185	BC	0.927	0	Anodyne	ref	BCAARM	CC(=O)c1c(O)cc(O)cc1CC(=O)[O-]	in-vitro biogenic
CC(C)(O)/C=C/C1=CC(=O)[C@@](C)(O)C[C@H]1O	ZINC000013307552	34/21/95/188342195	MQTHRHQDRZPYGH-DMKSKQPMSA-N	0	226.272	BC	0.325	0	Mild	ref	BCEBRN	CC(C)(O)/C=C/C1=CC(=O)[C@@](C)(O)C[C@H]1O	in-vitro biogenic
CC(C)(O)/C=C/C1=C[C@H](O)[C@@](C)(O)C[C@@H]1O	ZINC000013307560	30/71/94/187307194	KLZSJMCXTDLPSF-NVJIEBLHSA-N	0	228.288	BC	0.116	0	Anodyne	ref	BCAARN	CC(C)(O)/C=C/C1=C[C@H](O)[C@@](C)(O)C[C@@H]1O	in-vitro biogenic
CC(C)(O)/C=C/C1=C[C@H](O)[C@](C)(O)C[C@@H]1O	ZINC000013307562	56/69/08/384566908	KLZSJMCXTDLPSF-DVKNGYBMSA-N	0	228.288	BC	0.116	0	Anodyne	ref	BCAARN	CC(C)(O)/C=C/C1=C[C@H](O)[C@](C)(O)C[C@@H]1O	in-vitro biogenic
CC(C)(O)/C=C/C1=C[C@H](O)[C@@](C)(O)C[C@H]1O	ZINC000013307564	76/33/06/345763306	KLZSJMCXTDLPSF-QTIKQWDBSA-N	0	228.288	BC	0.116	0	Anodyne	ref	BCAARN	CC(C)(O)/C=C/C1=C[C@H](O)[C@@](C)(O)C[C@H]1O	in-vitro biogenic
CC(C)(O)/C=C/C1=C[C@H](O)[C@](C)(O)C[C@H]1O	ZINC000013307566	47/88/22/187478822	KLZSJMCXTDLPSF-JAJZFCCMSA-N	0	228.288	BC	0.116	0	Anodyne	ref	BCAARN	CC(C)(O)/C=C/C1=C[C@H](O)[C@](C)(O)C[C@H]1O	in-vitro biogenic
CCC[C@@H](O)[C@H](O)[C@@H]1CC(OC)=CC(=O)O1	ZINC000013339610	73/14/08/388731408	YLHOHANRUSKHKO-YWVKMMECSA-N	0	230.26	BC	0.354	0	Anodyne	ref	BCAARN	CCC[C@@H](O)[C@H](O)[C@@H]1CC(OC)=CC(=O)O1	in-vitro biogenic
CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1	ZINC000013368462	11/72/29/589117229	IQQUGRMXXJTLNW-KCJUWKMLSA-N	0	228.244	BC	0.843	0	Anodyne	ref	BCAARN	CCC[C@@H](O)[C@H](O)c1cc(OC)cc(=O)o1	 
CC[C@@H](C)[C@H]1NC(=O)[C@H]2CCCN2C1=O	ZINC000013416149	80/17/09/170801709	ZDACRNZBFJOLTC-IWSPIJDZSA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCABRN	CC[C@@H](C)[C@H]1NC(=O)[C@H]2CCCN2C1=O	in-vitro biogenic
CC[C@H](C)[C@H]1NC(=O)[C@H]2CCCN2C1=O	ZINC000013416152	73/17/28/388731728	ZDACRNZBFJOLTC-DJLDLDEBSA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCAARN	CC[C@H](C)[C@H]1NC(=O)[C@H]2CCCN2C1=O	in-vitro biogenic
CC[C@@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C1=O	ZINC000013416156	78/49/06/170784906	ZDACRNZBFJOLTC-HLTSFMKQSA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCAARN	CC[C@@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C1=O	in-vitro biogenic
CC[C@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C1=O	ZINC000013416160	38/18/19/171381819	ZDACRNZBFJOLTC-YIZRAAEISA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCAARN	CC[C@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C1=O	in-vitro biogenic
COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@@H]2O	ZINC000013480369	11/19/77/343111977	ZLLQQKITWRWKTD-VHWMUFPASA-N	0	240.211	BC	0.699	0	Anodyne	ref	BCAARN	COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@@H]2O	in-vitro biogenic
COc1c(O)cc2c(c1O)C(=O)O[C@@H](C)[C@@H]2O	ZINC000013480370	11/20/95/343112095	ZLLQQKITWRWKTD-NVNXEXLPSA-N	0	240.211	BC	0.699	0	Anodyne	ref	BCAARN	COc1c(O)cc2c(c1O)C(=O)O[C@@H](C)[C@@H]2O	in-vitro biogenic
COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H]2O	ZINC000013480371	11/21/84/343112184	ZLLQQKITWRWKTD-SPGJFGJESA-N	0	240.211	BC	0.699	0	Anodyne	ref	BCAARN	COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H]2O	in-vitro biogenic
COc1c(O)cc2c(c1O)C(=O)O[C@@H](C)[C@H]2O	ZINC000013480372	93/37/92/174933792	ZLLQQKITWRWKTD-RNHFCUEFSA-N	0	240.211	BC	0.699	0	Anodyne	ref	BCAARN	COc1c(O)cc2c(c1O)C(=O)O[C@@H](C)[C@H]2O	in-vitro biogenic
COc1cc2c(c(O)c1CO)C(=O)CC[C@@H]2O	ZINC000013480529	01/94/25/175019425	NXSUIALRPVXVTA-QMMMGPOBSA-N	-1	238.239	BC	0.903	3	Anodyne	high	BCAAHM	COc1cc2c(c([O-])c1CO)C(=O)CC[C@@H]2O	in-vitro biogenic
COc1cc2c(c(O)c1CO)C(=O)CC[C@@H]2O	ZINC000013480529	01/94/24/175019424	NXSUIALRPVXVTA-QMMMGPOBSA-N	0	238.239	BC	0.903	0	Anodyne	ref	BCAARN	COc1cc2c(c(O)c1CO)C(=O)CC[C@@H]2O	in-vitro biogenic
COc1cc2c(c(O)c1CO)C(=O)CC[C@H]2O	ZINC000013480530	01/92/65/175019265	NXSUIALRPVXVTA-MRVPVSSYSA-N	-1	238.239	BC	0.903	3	Anodyne	high	BCAAHM	COc1cc2c(c([O-])c1CO)C(=O)CC[C@H]2O	in-vitro biogenic
COc1cc2c(c(O)c1CO)C(=O)CC[C@H]2O	ZINC000013480530	01/92/63/175019263	NXSUIALRPVXVTA-MRVPVSSYSA-N	0	238.239	BC	0.903	0	Anodyne	ref	BCAARN	COc1cc2c(c(O)c1CO)C(=O)CC[C@H]2O	in-vitro biogenic
O=C(O)C[C@H](OC(=O)c1ccccc1)C(=O)O	ZINC000014585729	34/85/31/388348531	NVPJTXMOQCANSN-QMMMGPOBSA-N	-2	238.195	BC	0.771	0	Anodyne	ref	BCAARL	O=C([O-])C[C@H](OC(=O)c1ccccc1)C(=O)[O-]	in-man endogenous
C[C@H](O)[C@H](O)/C=C/c1cccc(O)c1CO	ZINC000014712152	01/38/98/177013898	MCAIMPGCWVIODY-PHTUBKJSSA-N	0	224.256	BC	0.639	0	Anodyne	ref	BCAARN	C[C@H](O)[C@H](O)/C=C/c1cccc(O)c1CO	in-vitro biogenic
OC/C=C/C#CC#C/C=C/C=C/[C@H](O)CCO	ZINC000014722383	82/02/42/187820242	QQSKRWNYOUTNSM-YSGXWUQLSA-N	0	232.279	BC	0.397	0	Mild	ref	BCEARN	OC/C=C/C#CC#C/C=C/C=C/[C@H](O)CCO	in-vitro biogenic
OC/C=C/C#CC#C/C=C/C=C/[C@@H](O)CCO	ZINC000014722385	30/83/59/187308359	QQSKRWNYOUTNSM-KNOGUBPPSA-N	0	232.279	BC	0.397	0	Mild	ref	BCEARN	OC/C=C/C#CC#C/C=C/C=C/[C@@H](O)CCO	 
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C1=O	ZINC000014950848	38/20/47/171382047	ZDACRNZBFJOLTC-CIUDSAMLSA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCAARN	CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C1=O	in-vitro biogenic
CC[C@H](C)[C@H]1NC(=O)[C@@H]2CCCN2C1=O	ZINC000014950857	87/66/32/385876632	ZDACRNZBFJOLTC-XHNCKOQMSA-N	0	210.277	BC	0.522	0	Anodyne	ref	BCAARN	CC[C@H](C)[C@H]1NC(=O)[C@@H]2CCCN2C1=O	in-vitro biogenic
CCCCC[C@H](O)[C@H]1C(=O)OC[C@@H]1CO	ZINC000015044171	70/05/36/290700536	ONFPUQOPHZOEKF-GUBZILKMSA-N	0	216.277	BC	0.709	0	Anodyne	ref	BCAARN	CCCCC[C@H](O)[C@H]1C(=O)OC[C@@H]1CO	in-vitro biogenic
CCCCC[C@H](O)[C@@H]1C(=O)OC[C@@H]1CO	ZINC000015044178	70/05/23/290700523	ONFPUQOPHZOEKF-LPEHRKFASA-N	0	216.277	BC	0.709	0	Anodyne	ref	BCAARN	CCCCC[C@H](O)[C@@H]1C(=O)OC[C@@H]1CO	in-vitro biogenic
CC(C)CCC[C@H](O)[C@H]1C(=O)OC[C@@H]1CO	ZINC000015044398	75/50/21/386755021	MZARLLPKPUWXEX-DCAQKATOSA-N	0	230.304	BC	0.955	0	Anodyne	ref	BCAARN	CC(C)CCC[C@H](O)[C@H]1C(=O)OC[C@@H]1CO	in-vitro biogenic
CC(C)CCC[C@H](O)[C@@H]1C(=O)OC[C@@H]1CO	ZINC000015044404	69/43/18/290694318	MZARLLPKPUWXEX-GARJFASQSA-N	0	230.304	BC	0.955	0	Anodyne	ref	BCAARN	CC(C)CCC[C@H](O)[C@@H]1C(=O)OC[C@@H]1CO	in-vitro biogenic
CCC[C@@H]1OC(=O)[C@@H](O)CC/C=C/[C@@H](O)[C@@H]1O	ZINC000015274357	63/51/79/385635179	KQJGPGHQDDZVHJ-FCPRRPSWSA-N	0	244.287	BC	0.131	0	Anodyne	ref	BCABRN	CCC[C@@H]1OC(=O)[C@@H](O)CC/C=C/[C@@H](O)[C@@H]1O	in-vitro biogenic
CCC[C@H]1OC(=O)[C@@H](O)CC/C=C/[C@@H](O)[C@@H]1O	ZINC000015274358	08/55/19/347085519	KQJGPGHQDDZVHJ-KWMQPODMSA-N	0	244.287	BC	0.131	0	Anodyne	ref	BCABRN	CCC[C@H]1OC(=O)[C@@H](O)CC/C=C/[C@@H](O)[C@@H]1O	in-vitro biogenic
CCC[C@@H]1OC(=O)[C@H](O)CC/C=C/[C@@H](O)[C@@H]1O	ZINC000015274359	78/45/93/386784593	KQJGPGHQDDZVHJ-FYGFMNRLSA-N	0	244.287	BC	0.131	0	Anodyne	ref	BCAARN	CCC[C@@H]1OC(=O)[C@H](O)CC/C=C/[C@@H](O)[C@@H]1O	in-vitro biogenic
CCOC(=O)[C@H]1C(=O)C(=O)Nc2ccccc21	ZINC000017003569	27/88/29/170278829	STEQTZOENAMHLZ-SECBINFHSA-N	-1	233.223	BC	0.854	0	Anodyne	ref	BCAARM	CCOC(=O)c1c([O-])c(=O)[nH]c2ccccc12	in-vitro biogenic
CC(C)CC[C@H](O)[C@@H]1C[C@@H](CO)OC1=O	ZINC000028536466	61/21/81/371612181	OMQVQJDDMZUVNL-GUBZILKMSA-N	0	216.277	BC	0.707	0	Anodyne	ref	BCAARN	CC(C)CC[C@H](O)[C@@H]1C[C@@H](CO)OC1=O	in-vitro biogenic
CC(C)CC[C@H](O)[C@H]1C[C@@H](CO)OC1=O	ZINC000031158486	88/55/65/359885565	OMQVQJDDMZUVNL-AEJSXWLSSA-N	0	216.277	BC	0.707	0	Anodyne	ref	BCAARN	CC(C)CC[C@H](O)[C@H]1C[C@@H](CO)OC1=O	in-vitro biogenic
C[C@@H](NC(=O)c1ccccc1N)C(=O)O	ZINC000031160202	38/31/83/388383183	URJSQVJWZNGFOL-ZCFIWIBFSA-N	-1	208.217	BC	0.472	0	Anodyne	ref	BCAARM	C[C@@H](NC(=O)c1ccccc1N)C(=O)[O-]	in-vitro biogenic
C[C@H](NC(=O)c1ccccc1N)C(=O)O	ZINC000031160205	38/28/95/388382895	URJSQVJWZNGFOL-LURJTMIESA-N	-1	208.217	BC	0.472	0	Anodyne	ref	BCAARM	C[C@H](NC(=O)c1ccccc1N)C(=O)[O-]	in-vitro biogenic
Cc1c(O)c2c(oc1=O)[C@@](C)(O)[C@H](C)OC2	ZINC000031163849	02/08/56/372020856	LORTWVPBXJUYJM-KGFZYKRKSA-N	0	226.228	BC	0.78	2	Anodyne	low	BCAALN	Cc1c(O)c2c(oc1=O)[C@@](C)(O)[C@H](C)OC2	in-vitro biogenic
Cc1c(O)c2c(oc1=O)[C@@](C)(O)[C@H](C)OC2	ZINC000031163849	02/08/52/372020852	LORTWVPBXJUYJM-KGFZYKRKSA-N	0	226.228	BC	0.78	0	Anodyne	ref	BCAARN	Cc1c([O-])c2c(oc1=O)[C@@](C)(O)[C@H](C)OC2	in-vitro biogenic
Cc1c(O)c2c(oc1=O)[C@@](C)(O)[C@@H](C)OC2	ZINC000031163853	02/00/44/372020044	LORTWVPBXJUYJM-KBUNVGBDSA-N	0	226.228	BC	0.78	2	Anodyne	low	BCAALN	Cc1c(O)c2c(oc1=O)[C@@](C)(O)[C@@H](C)OC2	in-vitro biogenic
Cc1c(O)c2c(oc1=O)[C@@](C)(O)[C@@H](C)OC2	ZINC000031163853	02/00/33/372020033	LORTWVPBXJUYJM-KBUNVGBDSA-N	0	226.228	BC	0.78	0	Anodyne	ref	BCAARN	Cc1c([O-])c2c(oc1=O)[C@@](C)(O)[C@@H](C)OC2	in-vitro biogenic
Cc1c(O)c2c(oc1=O)[C@](C)(O)[C@H](C)OC2	ZINC000031163857	02/10/11/372021011	LORTWVPBXJUYJM-UPONEAKYSA-N	0	226.228	BC	0.78	2	Anodyne	low	BCAALN	Cc1c(O)c2c(oc1=O)[C@](C)(O)[C@H](C)OC2	in-vitro biogenic
Cc1c(O)c2c(oc1=O)[C@](C)(O)[C@H](C)OC2	ZINC000031163857	02/10/03/372021003	LORTWVPBXJUYJM-UPONEAKYSA-N	0	226.228	BC	0.78	0	Anodyne	ref	BCAARN	Cc1c([O-])c2c(oc1=O)[C@](C)(O)[C@H](C)OC2	in-vitro biogenic
Cc1c(O)c2c(oc1=O)[C@](C)(O)[C@@H](C)OC2	ZINC000031163861	62/10/58/177621058	LORTWVPBXJUYJM-KSBSHMNSSA-N	0	226.228	BC	0.78	2	Anodyne	low	BCAALN	Cc1c(O)c2c(oc1=O)[C@](C)(O)[C@@H](C)OC2	in-vitro biogenic
Cc1c(O)c2c(oc1=O)[C@](C)(O)[C@@H](C)OC2	ZINC000031163861	62/10/51/177621051	LORTWVPBXJUYJM-KSBSHMNSSA-N	-1	226.228	BC	0.78	0	Anodyne	ref	BCAARM	Cc1c([O-])c2c(oc1=O)[C@](C)(O)[C@@H](C)OC2	in-vitro biogenic
COc1c(O)cc2c(c1O)[C@H]([C@@H](C)O)OC2=O	ZINC000031164783	02/09/37/372020937	BYTQIIPUIDTMNL-MOFOKWOHSA-N	-1	240.211	BC	0.699	3	Anodyne	high	BCAAHM	COc1c(O)cc2c(c1[O-])[C@H]([C@@H](C)O)OC2=O	in-vitro biogenic
COc1c(O)cc2c(c1O)[C@H]([C@@H](C)O)OC2=O	ZINC000031164783	02/09/27/372020927	BYTQIIPUIDTMNL-MOFOKWOHSA-N	-1	240.211	BC	0.699	0	Anodyne	ref	BCAARM	COc1c(O)cc2c(c1O)[C@H]([C@@H](C)O)OC2=O	in-vitro biogenic
COc1c(O)cc2c(c1O)[C@@H]([C@@H](C)O)OC2=O	ZINC000031164787	02/05/15/372020515	BYTQIIPUIDTMNL-ALFREKQPSA-N	-1	240.211	BC	0.699	3	Anodyne	high	BCAAHM	COc1c(O)cc2c(c1[O-])[C@@H]([C@@H](C)O)OC2=O	in-vitro biogenic
COc1c(O)cc2c(c1O)[C@@H]([C@@H](C)O)OC2=O	ZINC000031164787	02/05/04/372020504	BYTQIIPUIDTMNL-ALFREKQPSA-N	-1	240.211	BC	0.699	0	Anodyne	ref	BCAARM	COc1c(O)cc2c(c1O)[C@@H]([C@@H](C)O)OC2=O	in-vitro biogenic
COc1c(O)cc2c(c1O)[C@H]([C@H](C)O)OC2=O	ZINC000031164791	93/49/20/174934920	BYTQIIPUIDTMNL-IGJIYHIXSA-N	-1	240.211	BC	0.699	3	Anodyne	high	BCAAHM	COc1c(O)cc2c(c1[O-])[C@H]([C@H](C)O)OC2=O	in-vitro biogenic
COc1c(O)cc2c(c1O)[C@H]([C@H](C)O)OC2=O	ZINC000031164791	93/49/18/174934918	BYTQIIPUIDTMNL-IGJIYHIXSA-N	0	240.211	BC	0.699	0	Anodyne	ref	BCAARN	COc1c(O)cc2c(c1O)[C@H]([C@H](C)O)OC2=O	in-vitro biogenic
COc1c(O)cc2c(c1O)[C@@H]([C@H](C)O)OC2=O	ZINC000031164794	02/11/17/372021117	BYTQIIPUIDTMNL-AJAUBTJJSA-N	-1	240.211	BC	0.699	3	Anodyne	high	BCAAHM	COc1c(O)cc2c(c1[O-])[C@@H]([C@H](C)O)OC2=O	in-vitro biogenic
COc1c(O)cc2c(c1O)[C@@H]([C@H](C)O)OC2=O	ZINC000031164794	02/11/09/372021109	BYTQIIPUIDTMNL-AJAUBTJJSA-N	-1	240.211	BC	0.699	0	Anodyne	ref	BCAARM	COc1c(O)cc2c(c1O)[C@@H]([C@H](C)O)OC2=O	in-vitro biogenic
CC(C)[C@H](NC(=O)[C@H](O)C(C)C)C(=O)O	ZINC000034116821	01/28/77/188012877	AMBDHXBXGARDLW-JGVFFNPUSA-N	-1	217.265	BC	0.229	0	Anodyne	ref	BCAARM	CC(C)[C@H](NC(=O)[C@H](O)C(C)C)C(=O)[O-]	in-vitro biogenic
CC(C)[C@H](O)C(=O)N[C@H](C(=O)O)C(C)C	ZINC000034116822	01/28/20/188012820	AMBDHXBXGARDLW-YUMQZZPRSA-N	-1	217.265	BC	0.229	0	Anodyne	ref	BCAARM	CC(C)[C@H](O)C(=O)N[C@H](C(=O)[O-])C(C)C	in-vitro biogenic
CO[C@@H]1CC(=O)CC[C@@H](C)OC(=O)C[C@@H]1O	ZINC000034428618	27/95/25/346279525	RKWVKFFFOYCNSI-FKTZTGRPSA-N	0	230.26	BC	0.437	0	Anodyne	ref	BCABRN	CO[C@@H]1CC(=O)CC[C@@H](C)OC(=O)C[C@@H]1O	in-vitro biogenic
CC(C)CC[C@H](O)[C@@H]1C[C@H](CO)OC1=O	ZINC000035455909	24/85/68/357248568	OMQVQJDDMZUVNL-UTLUCORTSA-N	0	216.277	BC	0.707	0	Anodyne	ref	BCAARN	CC(C)CC[C@H](O)[C@@H]1C[C@H](CO)OC1=O	in-vitro biogenic
CC(C)CC[C@@H](O)[C@@H]1C[C@H](CO)OC1=O	ZINC000035455914	17/18/48/384171848	OMQVQJDDMZUVNL-KXUCPTDWSA-N	0	216.277	BC	0.707	0	Anodyne	ref	BCABRN	CC(C)CC[C@@H](O)[C@@H]1C[C@H](CO)OC1=O	in-vitro biogenic
CC(C)CC[C@H](O)[C@H]1C[C@H](CO)OC1=O	ZINC000035455916	91/29/16/166912916	OMQVQJDDMZUVNL-BBBLOLIVSA-N	0	216.277	BC	0.707	0	Anodyne	ref	BCAARN	CC(C)CC[C@H](O)[C@H]1C[C@H](CO)OC1=O	in-vitro biogenic
CC(C)CC[C@@H](O)[C@H]1C[C@H](CO)OC1=O	ZINC000035455921	17/20/45/384172045	OMQVQJDDMZUVNL-OPRDCNLKSA-N	0	216.277	BC	0.707	0	Anodyne	ref	BCABRN	CC(C)CC[C@@H](O)[C@H]1C[C@H](CO)OC1=O	in-vitro biogenic