COCCCN1C[C@H](C(=O)O)CC1=O	ZINC000004169645	23/43/30/174234330	IULBBAKLFCDXJH-SSDOTTSWSA-N	-1	201.222	BB	-0.044	0	Anodyne	ref	BBAARM	COCCCN1C[C@H](C(=O)[O-])CC1=O	 
COCCCN1C[C@@H](C(=O)O)CC1=O	ZINC000004169646	23/42/88/174234288	IULBBAKLFCDXJH-ZETCQYMHSA-N	-1	201.222	BB	-0.044	0	Anodyne	ref	BBAARM	COCCCN1C[C@@H](C(=O)[O-])CC1=O	 
NS(=O)(=O)c1ccc(N2CCNCC2)cc1	ZINC000004457431	31/67/54/132316754	UGGDHKASBRILQW-UHFFFAOYSA-N	0	241.316	BB	-0.256	3	Anodyne	high	BBAAHN	NS(=O)(=O)c1ccc(N2CCNCC2)cc1	 
NS(=O)(=O)c1ccc(N2CCNCC2)cc1	ZINC000004457431	31/67/53/132316753	UGGDHKASBRILQW-UHFFFAOYSA-N	1	241.316	BB	-0.256	0	Anodyne	ref	BBAARO	NS(=O)(=O)c1ccc(N2CC[NH2+]CC2)cc1	 
CCOC(=O)C1=CN[C@@H]2N=CC=CN2C1=O	ZINC000022115512	19/21/04/170192104	MFUYUKXJPSKDCB-JTQLQIEISA-N	0	221.216	BB	-0.253	0	Anodyne	ref	BBABRN	CCOC(=O)C1=CN[C@@H]2N=CC=CN2C1=O	 
CCOC(=O)C1=CN[C@H]2N=CC=CN2C1=O	ZINC000022115516	19/25/11/170192511	MFUYUKXJPSKDCB-SNVBAGLBSA-N	0	221.216	BB	-0.253	0	Anodyne	ref	BBABRN	CCOC(=O)C1=CN[C@H]2N=CC=CN2C1=O	 
CN(C)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O	ZINC000022115797	73/40/56/384734056	BOALFOBKOFTNSP-BZNPZCIMSA-N	0	217.265	BB	-0.215	3	Anodyne	high	BBAAHN	CN(C)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O	 
CN(C)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O	ZINC000022115797	73/40/50/384734050	BOALFOBKOFTNSP-BZNPZCIMSA-N	1	217.265	BB	-0.215	0	Anodyne	ref	BBAARO	C[NH+](C)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O	 
CC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O	ZINC000022115917	00/62/58/188006258	AUYDCDFGKWMOKV-BZNPZCIMSA-N	0	232.232	BB	-0.213	0	Anodyne	ref	BBAARN	CC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O	 
CCOCCN1C[C@@H](C(=O)O)CC1=O	ZINC000026474546	54/59/49/385545949	CGGBEWXTCRGOKJ-ZETCQYMHSA-N	-1	201.222	BB	-0.044	0	Anodyne	ref	BBAARM	CCOCCN1C[C@@H](C(=O)[O-])CC1=O	 
CCOCCN1C[C@H](C(=O)O)CC1=O	ZINC000026474554	54/55/17/385545517	CGGBEWXTCRGOKJ-SSDOTTSWSA-N	-1	201.222	BB	-0.044	0	Anodyne	ref	BBAARM	CCOCCN1C[C@H](C(=O)[O-])CC1=O	 
COC(=O)[C@@H](C)CNCCN1CCOCC1	ZINC000035133577	28/63/32/343286332	WBNBBDREPCMPTK-JTQLQIEISA-N	1	230.308	BB	-0.283	0	Anodyne	ref	BBAARO	COC(=O)[C@@H](C)C[NH2+]CCN1CCOCC1	 
COC(=O)[C@H](C)CNCCN1CCOCC1	ZINC000035133578	28/63/03/343286303	WBNBBDREPCMPTK-SNVBAGLBSA-N	1	230.308	BB	-0.283	0	Anodyne	ref	BBAARO	COC(=O)[C@H](C)C[NH2+]CCN1CCOCC1	 
COC(=O)C[C@H](C)NCCN1CCOCC1	ZINC000035748395	30/33/51/343303351	QVRSGKGZAKOLRP-JTQLQIEISA-N	1	230.308	BB	-0.14	0	Anodyne	ref	BBAARO	COC(=O)C[C@H](C)[NH2+]CCN1CCOCC1	 
COC(=O)C[C@@H](C)NCCN1CCOCC1	ZINC000035748397	62/35/34/173623534	QVRSGKGZAKOLRP-SNVBAGLBSA-N	1	230.308	BB	-0.14	0	Anodyne	ref	BBAARO	COC(=O)C[C@@H](C)[NH2+]CCN1CCOCC1	 
CCOC(=O)CCNCCN1CCOCC1	ZINC000036667808	20/88/75/170208875	QAVZQYKENVWFAO-UHFFFAOYSA-N	1	230.308	BB	-0.139	0	Anodyne	ref	BBAARO	CCOC(=O)CC[NH2+]CCN1CCOCC1	 
CCn1c(CO)cnc1S(C)(=O)=O	ZINC000047219261	14/50/28/172145028	WZVRJXUWISITKU-UHFFFAOYSA-N	0	204.251	BB	-0.201	0	Anodyne	ref	BBAARN	CCn1c(CO)cnc1S(C)(=O)=O	 
C=CCn1c(CO)cnc1S(C)(=O)=O	ZINC000047219269	21/86/69/188218669	VFWBXXHYSWKVMB-UHFFFAOYSA-N	0	216.262	BB	-0.035	0	Mild	ref	BBEARN	C=CCn1c(CO)cnc1S(C)(=O)=O	 
COCCn1c(CO)cnc1S(C)(=O)=O	ZINC000047219273	44/75/23/384447523	FQBYFLXTQWEFNI-UHFFFAOYSA-N	0	234.277	BB	-0.575	0	Anodyne	ref	BBAARN	COCCn1c(CO)cnc1S(C)(=O)=O	 
CN(C)CCn1c(CO)cnc1S(C)(=O)=O	ZINC000047219274	44/68/05/384446805	LYJWSYGFFXYSIC-UHFFFAOYSA-N	1	247.32	BB	-0.659	1	Anodyne	mid	BBAAMO	C[NH+](C)CCn1c(CO)cnc1S(C)(=O)=O	 
CN(C)CCn1c(CO)cnc1S(C)(=O)=O	ZINC000047219274	44/68/00/384446800	LYJWSYGFFXYSIC-UHFFFAOYSA-N	1	247.32	BB	-0.659	0	Anodyne	ref	BBAARO	CN(C)CCn1c(CO)cnc1S(C)(=O)=O	 
COCCCn1c(CO)cnc1S(C)(=O)=O	ZINC000047219275	26/63/54/174266354	ZAUIJESGQNGBDU-UHFFFAOYSA-N	0	248.304	BB	-0.185	0	Anodyne	ref	BBAARN	COCCCn1c(CO)cnc1S(C)(=O)=O