O=CN1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000000290753	23/49/06/374234906	DILWGHDSFVVDKW-UHFFFAOYSA-N	0	315.329	DB	-0.027	0	Anodyne	ref	DBAARN	O=CN1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1	 
O=[N+]([O-])c1ccccc1S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004100747	07/32/67/181073267	SZAOZNVCHHBUDZ-DVYMNCLGSA-N	0	317.319	DB	-0.513	0	Bother	ref	DBBBRN	O=[N+]([O-])c1ccccc1S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	 
CC1(C)OC(=O)C(=CN[C@@H](CCC(=O)O)C(=O)O)C(=O)O1	ZINC000100566544	88/58/25/374885825	XZKCNVBIJFSINY-ZETCQYMHSA-N	-2	301.251	DB	-0.386	0	Clean	ref	DBCARL	CC1(C)OC(=O)C(=CN[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)O1	 
CC1(C)OC(=O)C(=CN[C@H](CCC(=O)O)C(=O)O)C(=O)O1	ZINC000100566547	80/16/54/193801654	XZKCNVBIJFSINY-SSDOTTSWSA-N	-2	301.251	DB	-0.386	0	Clean	ref	DBCARL	CC1(C)OC(=O)C(=CN[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)O1	 
CC1(C)OC(=O)C(=CN[C@@H](CCC(N)=O)C(=O)O)C(=O)O1	ZINC000100716075	39/82/66/281398266	OVILRNJNRZYEMX-ZETCQYMHSA-N	-1	300.267	DB	-0.985	0	Clean	ref	DBCARM	CC1(C)OC(=O)C(=CN[C@@H](CCC(N)=O)C(=O)[O-])C(=O)O1	 
CC1(C)OC(=O)C(=CN[C@H](CCC(N)=O)C(=O)O)C(=O)O1	ZINC000100716079	39/90/60/281399060	OVILRNJNRZYEMX-SSDOTTSWSA-N	-1	300.267	DB	-0.985	0	Clean	ref	DBCARM	CC1(C)OC(=O)C(=CN[C@H](CCC(N)=O)C(=O)[O-])C(=O)O1