pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.77	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCc1ccc(O)cc1	[NH3+]CCc1ccc([O-])cc1,NCCc1ccc(O)cc1	mol1836	NCCc1ccc(O)cc1
9.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(O)ccc1Cl	Cc1cc([O-])ccc1Cl	mol2322	Cc1cc(O)ccc1Cl
10.43	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)Cc1ccc(O)cc1	CC(C)(C)Cc1ccc([O-])cc1	mol12534	CC(C)(C)Cc1ccc(O)cc1
6.07	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc(O)cc1C(F)(F)F	O=[N+]([O-])c1ccc([O-])cc1C(F)(F)F	mol682	O=[N+]([O-])c1ccc(O)cc1C(F)(F)F
9.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(O)cc(C)c1Cl	Cc1cc([O-])cc(C)c1Cl	mol2015	Cc1cc(O)cc(C)c1Cl
9.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
8.47	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCOC(=O)c1ccc(O)cc1	CCCCOC(=O)c1ccc([O-])cc1	mol482	CCCCOC(=O)c1ccc(O)cc1
8.63	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Cl)c(Cl)c1	[O-]c1ccc(Cl)c(Cl)c1	mol726	Oc1ccc(Cl)c(Cl)c1
10.36	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)cc1C	Cc1ccc([O-])cc1C	mol2148	Cc1ccc(O)cc1C
10.39	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1ccc(O)cc1	CC(C)(C)c1ccc([O-])cc1	mol757	CC(C)(C)c1ccc(O)cc1
8.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc(C(F)(F)F)c1	[O-]c1cccc(C(F)(F)F)c1	mol1811	Oc1cccc(C(F)(F)F)c1
8.05	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)c1ccc(O)cc1	CC(=O)c1ccc([O-])cc1	mol1904	CC(=O)c1ccc(O)cc1
10.24	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)c1ccc(O)cc1	CC(C)c1ccc([O-])cc1	mol2004	CC(C)c1ccc(O)cc1
8.98	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=Cc1cccc(O)c1	O=Cc1cccc([O-])c1	mol2232	O=Cc1cccc(O)c1
7.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc(O)cc1	O=[N+]([O-])c1ccc([O-])cc1	mol2479	O=[N+]([O-])c1ccc(O)cc1
9.38	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)Nc1ccc(O)cc1	CC(=O)Nc1ccc([O-])cc1	mol2320	CC(=O)Nc1ccc(O)cc1
9.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Cl)cc1	[O-]c1ccc(Cl)cc1	mol1409	Oc1ccc(Cl)cc1
10.26	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)cc1	Cc1ccc([O-])cc1	mol1363	Cc1ccc(O)cc1
9.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Br)cc1	[O-]c1ccc(Br)cc1	mol1411	Oc1ccc(Br)cc1
9.99	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
10.19	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C)cc(O)c1	Cc1cc(C)cc([O-])c1	mol1367	Cc1cc(C)cc(O)c1
9.12	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc(Cl)c1	[O-]c1cccc(Cl)c1	mol1408	Oc1cccc(Cl)c1
10.09	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(O)c1	Cc1cccc([O-])c1	mol1361	Cc1cccc(O)c1
8.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCOC(=O)c1ccc(O)cc1	CCOC(=O)c1ccc([O-])cc1	mol751	CCOC(=O)c1ccc(O)cc1
9.25	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)c1cccc(O)c1	CC(=O)c1cccc([O-])c1	mol1872	CC(=O)c1cccc(O)c1
10.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	[NH3+]c1ccc([O-])cc1,Nc1ccc(O)cc1	Nc1ccc([O-])cc1	mol3358	Nc1ccc(O)cc1
5.48	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(O)cc1	[NH3+]c1ccc([O-])cc1,Nc1ccc(O)cc1	mol3358	Nc1ccc(O)cc1
7.61	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=Cc1ccc(O)cc1	O=Cc1ccc([O-])cc1	mol2551	O=Cc1ccc(O)cc1
10.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCc1ccc(O)cc1	CCc1ccc([O-])cc1	mol2564	CCc1ccc(O)cc1
10.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(O)cc1	COc1ccc([O-])cc1	mol9973	COc1ccc(O)cc1
9.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cccc(O)c1	COc1cccc([O-])c1	mol9972	COc1cccc(O)c1
9.91	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(F)cc1	[O-]c1ccc(F)cc1	mol2473	Oc1ccc(F)cc1
9.21	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc(F)c1	[O-]c1cccc(F)c1	mol2472	Oc1cccc(F)c1
8.68	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(C(F)(F)F)cc1	[O-]c1ccc(C(F)(F)F)cc1	mol1792	Oc1ccc(C(F)(F)F)cc1
9.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
9.21	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(I)cc1	[O-]c1ccc(I)cc1	mol1419	Oc1ccc(I)cc1
8.36	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cccc(O)c1	O=[N+]([O-])c1cccc([O-])c1	mol2160	O=[N+]([O-])c1cccc(O)c1
5.42	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]	O=[N+]([O-])c1ccc([O-])cc1[N+](=O)[O-]	mol1816	O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]
9.64	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc(-c2ccccc2)c1	[O-]c1cccc(-c2ccccc2)c1	mol2152	Oc1cccc(-c2ccccc2)c1
10.12	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1cccc(O)c1	CC(C)(C)c1cccc([O-])c1	mol11245	CC(C)(C)c1cccc(O)c1
6.69	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1	O=[N+]([O-])c1cc([O-])cc([N+](=O)[O-])c1	mol730	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1
8.18	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(Cl)cc(Cl)c1	[O-]c1cc(Cl)cc(Cl)c1	mol2328	Oc1cc(Cl)cc(Cl)c1
9.86	Organic Oxygen Acids and Nitrogen Bases	0	-1	Nc1cccc(O)c1,[NH3+]c1cccc([O-])c1	Nc1cccc([O-])c1	mol3357	Nc1cccc(O)c1
4.37	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc(O)c1	Nc1cccc(O)c1,[NH3+]c1cccc([O-])c1	mol3357	Nc1cccc(O)c1
9.03	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc(Br)c1	[O-]c1cccc(Br)c1	mol2475	Oc1cccc(Br)c1
7.84	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(Cl)c(Cl)c(Cl)c1	[O-]c1cc(Cl)c(Cl)c(Cl)c1	mol724	Oc1cc(Cl)c(Cl)c(Cl)c1
10.16	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)c1cccc(O)c1	CC(C)c1cccc([O-])c1	mol457	CC(C)c1cccc(O)c1
9.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCc1cccc(O)c1	CCc1cccc([O-])c1	mol1847	CCc1cccc(O)c1
9.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
10.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCOc1ccc(O)cc1	CCOc1ccc([O-])cc1	mol468	CCOc1ccc(O)cc1
8.06	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(Br)cc(Br)c1	[O-]c1cc(Br)cc(Br)c1	mol9614	Oc1cc(Br)cc(Br)c1
9.03	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc(I)c1	[O-]c1cccc(I)c1	mol2156	Oc1cccc(I)c1
10.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCc1ccc(O)cc1	CCCc1ccc([O-])cc1	mol1949	CCCc1ccc(O)cc1
10.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCc1cc(C)cc(O)c1	CCc1cc(C)cc([O-])c1	mol1372	CCc1cc(C)cc(O)c1
7.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1ccc(O)cc1	N#Cc1ccc([O-])cc1	mol1422	N#Cc1ccc(O)cc1
8.61	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1cccc(O)c1	N#Cc1cccc([O-])c1	mol2549	N#Cc1cccc(O)c1
9.53	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(CS)cc1	[O-]c1ccc(CS)cc1,Oc1ccc(C[S-])cc1	mol21694	Oc1ccc(CS)cc1
10.32	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc2c(c1)CCC2	[O-]c1ccc2c(c1)CCC2	mol1374	Oc1ccc2c(c1)CCC2
8.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)cc1[N+](=O)[O-]	Cc1ccc([O-])cc1[N+](=O)[O-]	mol10153	Cc1ccc(O)cc1[N+](=O)[O-]
9.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21	O=C1OC(c2ccc([O-])cc2)(c2ccc(O)cc2)c2ccccc21	mol21695	O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
9.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	OCc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1	[O-]c1ccc(C(c2ccc(O)cc2)c2ccccc2CO)cc1	mol21696	OCc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1
9.32	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc(O)c1	[O-]c1cccc(O)c1	mol1397	Oc1cccc(O)c1
8.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(O)cc(O)c1	[O-]c1cc(O)cc(O)c1	mol8747	Oc1cc(O)cc(O)c1
10.85	Organic Oxygen Acids and Nitrogen Bases	-1	-2	[O-]c1ccc(O)cc1	[O-]c1ccc([O-])cc1	mol1398	Oc1ccc(O)cc1
9.51	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc2ccccc2c1	[O-]c1ccc2ccccc2c1	mol1385	Oc1ccc2ccccc2c1
9.83	Organic Oxygen Acids and Nitrogen Bases	0	-1	OCc1cccc(O)c1	[O-]c1cccc(CO)c1	mol9969	OCc1cccc(O)c1
9.82	Organic Oxygen Acids and Nitrogen Bases	0	-1	OCc1ccc(O)cc1	[O-]c1ccc(CO)cc1	mol9970	OCc1ccc(O)cc1
10.48	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc2c(c1)CCCC2	[O-]c1ccc2c(c1)CCCC2	mol1380	Oc1ccc2c(c1)CCCC2
10.25	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCCCCCc1ccc(O)cc1	CCCCCCCCCc1ccc([O-])cc1	mol21697	CCCCCCCCCc1ccc(O)cc1
11.06	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)C[C@@H](C)C[C@@H](C)c1ccc(O)cc1	CC(C)C[C@@H](C)C[C@@H](C)c1ccc([O-])cc1	mol21698	CC(C)CC(C)CC(C)c1ccc(O)cc1
8.25	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(O)cc(C)c1[N+](=O)[O-]	Cc1cc([O-])cc(C)c1[N+](=O)[O-]	mol1433	Cc1cc(O)cc(C)c1[N+](=O)[O-]
9.33	Organic Oxygen Acids and Nitrogen Bases	0	-1	CS(=O)(=O)c1cccc(O)c1	CS(=O)(=O)c1cccc([O-])c1	mol21699	CS(=O)(=O)c1cccc(O)c1
8.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(I)cc(I)c1	[O-]c1cc(I)cc(I)c1	mol9615	Oc1cc(I)cc(I)c1
9.37	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCOc1cc(O)cc(OCC)c1	CCOc1cc([O-])cc(OCC)c1	mol8743	CCOc1cc(O)cc(OCC)c1
6.48	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=Nc1ccc(O)cc1	O=Nc1ccc([O-])cc1	mol9639	O=Nc1ccc(O)cc1
7.83	Organic Oxygen Acids and Nitrogen Bases	0	-1	CS(=O)(=O)c1ccc(O)cc1	CS(=O)(=O)c1ccc([O-])cc1	mol10200	CS(=O)(=O)c1ccc(O)cc1
8.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(O)cc(C)c1S(C)(=O)=O	Cc1cc([O-])cc(C)c1S(C)(=O)=O	mol11065	Cc1cc(O)cc(C)c1S(C)(=O)=O
10.29	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1cc(O)cc(C(C)(C)C)c1	CC(C)(C)c1cc([O-])cc(C(C)(C)C)c1	mol831	CC(C)(C)c1cc(O)cc(C(C)(C)C)c1
6.49	Organic Oxygen Acids and Nitrogen Bases	0	-1	NC(=O)c1ccccc1O	NC(=O)c1ccccc1[O-]	mol10138	NC(=O)c1ccccc1O
8.89	Organic Oxygen Acids and Nitrogen Bases	0	-1	NC(=O)c1ccccc1O	NC(=O)c1ccccc1[O-]	mol10138	NC(=O)c1ccccc1O
10.25	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(O)cc(C)c1C	Cc1cc([O-])cc(C)c1C	mol1814	Cc1cc(O)cc(C)c1C
7.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccccc1)c1ccccc1O	O=C(Nc1ccccc1)c1ccccc1[O-]	mol719	O=C(Nc1ccccc1)c1ccccc1O
9.87	Organic Oxygen Acids and Nitrogen Bases	0	-1	COC(=O)c1ccccc1O	COC(=O)c1ccccc1[O-]	mol2333	COC(=O)c1ccccc1O
7.91	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cccc(C=O)c1O	COc1cccc(C=O)c1[O-]	mol14125	COc1cccc(C=O)c1O
4.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O	O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1[O-]	mol21700	O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O
7.31	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccccc1Cl)c1ccccc1O	O=C(Nc1ccccc1Cl)c1ccccc1[O-]	mol21701	O=C(Nc1ccccc1Cl)c1ccccc1O
3.03	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1O	O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	mol21702	O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1O
7.31	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(Br)cc1)c1ccccc1O	O=C(Nc1ccc(Br)cc1)c1ccccc1[O-]	mol21703	O=C(Nc1ccc(Br)cc1)c1ccccc1O
6.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1O	O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1[O-]	mol21704	O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1O
7.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(Cl)cc1)c1ccccc1O	O=C(Nc1ccc(Cl)cc1)c1ccccc1[O-]	mol21705	O=C(Nc1ccc(Cl)cc1)c1ccccc1O
4.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccccc1)c1cc(Cl)cc(Cl)c1O	O=C(Nc1ccccc1)c1cc(Cl)cc(Cl)c1[O-]	mol21706	O=C(Nc1ccccc1)c1cc(Cl)cc(Cl)c1O
6.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccccc1)c1cc(Cl)ccc1O	O=C(Nc1ccccc1)c1cc(Cl)ccc1[O-]	mol21707	O=C(Nc1ccccc1)c1cc(Cl)ccc1O
6.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccccc1NC(=O)c1cc(Cl)ccc1O	Cc1ccccc1NC(=O)c1cc(Cl)ccc1[O-]	mol21708	Cc1ccccc1NC(=O)c1cc(Cl)ccc1O
7.14	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1O	O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1[O-]	mol21709	O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1O
6.91	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1O	O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1[O-]	mol21710	O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1O
6.74	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O	O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1[O-]	mol21711	O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O
7.52	Organic Oxygen Acids and Nitrogen Bases	0	-1	CNC(=O)c1ccc(Br)c(C)c1O	CNC(=O)c1ccc(Br)c(C)c1[O-]	mol21712	CNC(=O)c1ccc(Br)c(C)c1O
4.8	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O	O=C(Nc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1[O-]	mol21713	O=C(Nc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O
4.11	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)cc(Br)c1O	O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)cc(Br)c1[O-]	mol21714	O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)cc(Br)c1O
7.43	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(Cl)ccc1NC(=O)c1ccccc1O	Cc1cc(Cl)ccc1NC(=O)c1ccccc1[O-]	mol21715	Cc1cc(Cl)ccc1NC(=O)c1ccccc1O
7.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(Br)ccc1NC(=O)c1cc(F)ccc1O	Cc1cc(Br)ccc1NC(=O)c1cc(F)ccc1[O-]	mol21716	Cc1cc(Br)ccc1NC(=O)c1cc(F)ccc1O
7.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1O	Cc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1[O-]	mol21717	Cc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1O
4.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(F)cc1F)c1cc(Br)cc(Br)c1O	O=C(Nc1ccc(F)cc1F)c1cc(Br)cc(Br)c1[O-]	mol21718	O=C(Nc1ccc(F)cc1F)c1cc(Br)cc(Br)c1O
4.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(F)cc1F)c1cc(Cl)cc(Cl)c1O	O=C(Nc1ccc(F)cc1F)c1cc(Cl)cc(Cl)c1[O-]	mol21719	O=C(Nc1ccc(F)cc1F)c1cc(Cl)cc(Cl)c1O
4.11	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1O	O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1[O-]	mol21720	O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1O
4.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)cc(Cl)c1O	Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)cc(Cl)c1[O-]	mol21721	Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)cc(Cl)c1O
8.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=Cc1ccccc1O	O=Cc1ccccc1[O-]	mol1781	O=Cc1ccccc1O
9.19	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)c1ccccc1O	CC(=O)c1ccccc1[O-]	mol12917	CC(=O)c1ccccc1O
9.81	Organic Oxygen Acids and Nitrogen Bases	0	-1	Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1,Nc1ccc([O-])c(-c2[nH+]c3cc(Cl)ccc3o2)c1,[NH3+]c1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1	Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1	mol21722	Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1
4.09	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc([O-])c([N+](=O)[O-])c1	mol1905	O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1
5.22	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Cl)cc(Cl)c(Cl)c1Cl	[O-]c1c(Cl)cc(Cl)c(Cl)c1Cl	mol437	Oc1c(Cl)cc(Cl)c(Cl)c1Cl
4.96	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]	O=[N+]([O-])c1cccc([O-])c1[N+](=O)[O-]	mol729	O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]
4.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	mol722	Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
6.79	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Cl)cccc1Cl	[O-]c1c(Cl)cccc1Cl	mol2327	Oc1c(Cl)cccc1Cl
8.69	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(Cl)c1O	Cc1cccc(Cl)c1[O-]	mol10135	Cc1cccc(Cl)c1O
0.38	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	mol2572	O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
2.96	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1O	O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1[O-]	mol1863	O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1O
4.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol21723	CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
7.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccccc1O	O=[N+]([O-])c1ccccc1[O-]	mol2159	O=[N+]([O-])c1ccccc1O
10.47	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O
10.28	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1ccccc1O	CC(C)(C)c1ccccc1[O-]	mol756	CC(C)(C)c1ccccc1O
6.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Cl)cc(Cl)cc1Cl	[O-]c1c(Cl)cc(Cl)cc1Cl	mol2009	Oc1c(Cl)cc(Cl)cc1Cl
10.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C(C)C)c(O)c1	Cc1ccc(C(C)C)c([O-])c1	mol758	Cc1ccc(C(C)C)c(O)c1
9.98	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(O)c(C(C)C)cc1Cl	Cc1cc([O-])c(C(C)C)cc1Cl	mol11384	Cc1cc(O)c(C(C)C)cc1Cl
6.46	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc(Cl)ccc1O	O=[N+]([O-])c1cc(Cl)ccc1[O-]	mol9866	O=[N+]([O-])c1cc(Cl)ccc1O
9.92	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccccc1-c1ccccc1	[O-]c1ccccc1-c1ccccc1	mol1869	Oc1ccccc1-c1ccccc1
9.98	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccccc1O	COc1ccccc1[O-]	mol9971	COc1ccccc1O
10.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCc1ccccc1O	CCc1ccccc1[O-]	mol1855	CCc1ccccc1O
10.28	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(C)ccc1O	COc1cc(C)ccc1[O-]	mol10431	COc1cc(C)ccc1O
10.11	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCOc1ccccc1O	CCOc1ccccc1[O-]	mol2229	CCOc1ccccc1O
7.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(Cl)c(Cl)cc1Cl	[O-]c1cc(Cl)c(Cl)cc1Cl	mol1810	Oc1cc(Cl)c(Cl)cc1Cl
10.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C)c(O)c1	Cc1ccc(C)c([O-])c1	mol2460	Cc1ccc(C)c(O)c1
8.56	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccccc1Br	[O-]c1ccccc1Br	mol2474	Oc1ccccc1Br
9.75	Organic Oxygen Acids and Nitrogen Bases	0	-1	[NH3+]c1ccccc1[O-],Nc1ccccc1O	Nc1ccccc1[O-]	mol3356	Nc1ccccc1O
4.84	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccccc1O	[NH3+]c1ccccc1[O-],Nc1ccccc1O	mol3356	Nc1ccccc1O
10.28	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccccc1O	Cc1ccccc1[O-]	mol1360	Cc1ccccc1O
10.22	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccccc1O	Cc1ccccc1[O-]	mol1360	Cc1ccccc1O
11.72	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1	mol2027	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
9.88	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC=Cc1ccc(O)c(OC)c1	CC=Cc1ccc([O-])c(OC)c1	mol21724	CC=Cc1ccc(O)c(OC)c1
10.19	Organic Oxygen Acids and Nitrogen Bases	0	-1	C=CCc1ccc(O)c(OC)c1	C=CCc1ccc([O-])c(OC)c1	mol1899	C=CCc1ccc(O)c(OC)c1
8.58	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1ccc(O)c(Cl)c1	CC(C)(C)c1ccc([O-])c(Cl)c1	mol11383	CC(C)(C)c1ccc(O)c(Cl)c1
10.59	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C(C)(C)C)ccc1O	Cc1cc(C(C)(C)C)ccc1[O-]	mol11525	Cc1cc(C(C)(C)C)ccc1O
7.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	[NH3+]c1cc([N+](=O)[O-])ccc1[O-],Nc1cc([N+](=O)[O-])ccc1O	Nc1cc([N+](=O)[O-])ccc1[O-]	mol17651	Nc1cc([N+](=O)[O-])ccc1O
3.1	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cc([N+](=O)[O-])ccc1O	[NH3+]c1cc([N+](=O)[O-])ccc1[O-],Nc1cc([N+](=O)[O-])ccc1O	mol17651	Nc1cc([N+](=O)[O-])ccc1O
3.39	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc(Br)c(O)c(Br)c1	O=[N+]([O-])c1cc(Br)c([O-])c(Br)c1	mol732	O=[N+]([O-])c1cc(Br)c(O)c(Br)c1
10.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)c(C)c1	Cc1ccc([O-])c(C)c1	mol2459	Cc1ccc(O)c(C)c1
6.8	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Br)cc(Br)cc1Br	[O-]c1c(Br)cc(Br)cc1Br	mol21725	Oc1c(Br)cc(Br)cc1Br
7.81	Organic Oxygen Acids and Nitrogen Bases	0	-1	[NH3+]c1ccc([O-])c([N+](=O)[O-])c1,Nc1ccc(O)c([N+](=O)[O-])c1	Nc1ccc([O-])c([N+](=O)[O-])c1	mol6049	Nc1ccc(O)c([N+](=O)[O-])c1
7.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)c([N+](=O)[O-])c1	Cc1ccc([O-])c([N+](=O)[O-])c1	mol742	Cc1ccc(O)c([N+](=O)[O-])c1
7.89	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Cl)cc1Cl	[O-]c1ccc(Cl)cc1Cl	mol1844	Oc1ccc(Cl)cc1Cl
7.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(C=O)ccc1O	COc1cc(C=O)ccc1[O-]	mol10404	COc1cc(C=O)ccc1O
11.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1cccc(C(C)(C)C)c1O	CC(C)(C)c1cccc(C(C)(C)C)c1[O-]	mol2028	CC(C)(C)c1cccc(C(C)(C)C)c1O
12.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	Cc1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1	mol838	Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
4.52	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc(C2CCCCC2)c([O-])c([N+](=O)[O-])c1	mol447	O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1
5.21	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1	O=[N+]([O-])c1ccc([N+](=O)[O-])c([O-])c1	mol1909	O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1
8.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccccc1F	[O-]c1ccccc1F	mol1403	Oc1ccccc1F
6.07	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc(F)cc1O	O=[N+]([O-])c1ccc(F)cc1[O-]	mol735	O=[N+]([O-])c1ccc(F)cc1O
10.57	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C)c(O)cc1C	Cc1cc(C)c([O-])cc1C	mol1813	Cc1cc(C)c(O)cc1C
10.54	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(O)c1C	Cc1cccc([O-])c1C	mol1365	Cc1cccc(O)c1C
10.86	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C)c(O)c(C)c1	Cc1cc(C)c([O-])c(C)c1	mol1369	Cc1cc(C)c(O)c(C)c1
8.51	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccccc1I	[O-]c1ccccc1I	mol1414	Oc1ccccc1I
4.31	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol739	Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
9.54	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1c(CC[NH3+])ccc(O)c1O	Cc1c(CC[NH3+])ccc([O-])c1O,Cc1c(CCN)ccc(O)c1O,Cc1c(CC[NH3+])ccc(O)c1[O-]	mol21726	Cc1c(CCN)ccc(O)c1O
3.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cccc([N+](=O)[O-])c1O	O=[N+]([O-])c1cccc([N+](=O)[O-])c1[O-]	mol1857	O=[N+]([O-])c1cccc([N+](=O)[O-])c1O
10.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(C)c1O	Cc1cccc(C)c1[O-]	mol1366	Cc1cccc(C)c1O
7.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc(Cl)c1Cl	[O-]c1cccc(Cl)c1Cl	mol725	Oc1cccc(Cl)c1Cl
7.51	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(Cl)ccc1Cl	[O-]c1cc(Cl)ccc1Cl	mol2010	Oc1cc(Cl)ccc1Cl
5.48	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cccc(Cl)c1O	O=[N+]([O-])c1cccc(Cl)c1[O-]	mol9865	O=[N+]([O-])c1cccc(Cl)c1O
4.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Br)c(Br)c(Br)c(Br)c1Br	[O-]c1c(Br)c(Br)c(Br)c(Br)c1Br	mol707	Oc1c(Br)c(Br)c(Br)c(Br)c1Br
6.67	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Br)cccc1Br	[O-]c1c(Br)cccc1Br	mol728	Oc1c(Br)cccc1Br
4.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1	Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	mol740	Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
6.86	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1ccccc1O	N#Cc1ccccc1[O-]	mol446	N#Cc1ccccc1O
6.05	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc(Cl)cc1O	O=[N+]([O-])c1ccc(Cl)cc1[O-]	mol2329	O=[N+]([O-])c1ccc(Cl)cc1O
7.79	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Br)cc1Br	[O-]c1ccc(Br)cc1Br	mol727	Oc1ccc(Br)cc1Br
3.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1	O=[N+]([O-])c1cc(Cl)c([O-])c(Cl)c1	mol731	O=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1
5.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc(O)c(Cl)c1	O=[N+]([O-])c1ccc([O-])c(Cl)c1	mol734	O=[N+]([O-])c1ccc(O)c(Cl)c1
8.89	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C=O)cc1O	COc1ccc(C=O)cc1[O-]	mol14129	COc1ccc(C=O)cc1O
10.47	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCc1ccccc1O	CCCc1ccccc1[O-]	mol2234	CCCc1ccccc1O
10.67	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C)c(C)c(O)c1	Cc1cc(C)c(C)c([O-])c1	mol440	Cc1cc(C)c(C)c(O)c1
7.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
3.85	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc(-c2ccccc2)c(O)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc(-c2ccccc2)c([O-])c([N+](=O)[O-])c1	mol781	O=[N+]([O-])c1cc(-c2ccccc2)c(O)c([N+](=O)[O-])c1
12.19	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	CC(C)(C)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1	mol1733	CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
5.53	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(F)c(F)c(F)c(F)c1F	[O-]c1c(F)c(F)c(F)c(F)c1F	mol723	Oc1c(F)c(F)c(F)c(F)c1F
6.73	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc(-c2ccccc2)ccc1O	O=[N+]([O-])c1cc(-c2ccccc2)ccc1[O-]	mol786	O=[N+]([O-])c1cc(-c2ccccc2)ccc1O
5.8	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Cl)ccc(Cl)c1Cl	[O-]c1c(Cl)ccc(Cl)c1Cl	mol441	Oc1c(Cl)ccc(Cl)c1Cl
5.14	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Cl)c(Cl)cc(Cl)c1Cl	[O-]c1c(Cl)c(Cl)cc(Cl)c1Cl	mol438	Oc1c(Cl)c(Cl)cc(Cl)c1Cl
2.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc(Cl)c([O-])c([N+](=O)[O-])c1	mol733	O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1
7.31	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(O)c([N+](=O)[O-])c1	COc1ccc([O-])c([N+](=O)[O-])c1	mol2331	COc1ccc(O)c([N+](=O)[O-])c1
9.71	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(Cl)ccc1O	Cc1cc(Cl)ccc1[O-]	mol1944	Cc1cc(Cl)ccc1O
3.86	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1cc(Br)c(O)c(Br)c1	N#Cc1cc(Br)c([O-])c(Br)c1	mol2332	N#Cc1cc(Br)c(O)c(Br)c1
12.04	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C)c(O)c(C(C)(C)C)c1	Cc1cc(C)c([O-])c(C(C)(C)C)c1	mol775	Cc1cc(C)c(O)c(C(C)(C)C)c1
11.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)c1cccc(C(C)C)c1O	CC(C)c1cccc(C(C)C)c1[O-]	mol2345	CC(C)c1cccc(C(C)C)c1O
11.72	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)c(C(C)(C)C)c1	Cc1ccc([O-])c(C(C)(C)C)c1	mol762	Cc1ccc(O)c(C(C)(C)C)c1
7.07	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc([N+](=O)[O-])cc(C)c1O	Cc1cc([N+](=O)[O-])cc(C)c1[O-]	mol1838	Cc1cc([N+](=O)[O-])cc(C)c1O
7.19	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(Cl)c(O)c(Cl)c1	Cc1cc(Cl)c([O-])c(Cl)c1	mol2330	Cc1cc(Cl)c(O)c(Cl)c1
6.21	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Cl)cc(Br)cc1Cl	[O-]c1c(Cl)cc(Br)cc1Cl	mol2011	Oc1c(Cl)cc(Br)cc1Cl
7.59	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@@H](C)c1ccc(O)c([N+](=O)[O-])c1	CC[C@@H](C)c1ccc([O-])c([N+](=O)[O-])c1	mol21727	CCC(C)c1ccc(O)c([N+](=O)[O-])c1
7.52	Organic Oxygen Acids and Nitrogen Bases	-1	-2	O=C([O-])c1ccc(O)c(Cl)c1,O=C(O)c1ccc([O-])c(Cl)c1	O=C([O-])c1ccc([O-])c(Cl)c1	mol10070	O=C(O)c1ccc(O)c(Cl)c1
6.35	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(Cl)c(Cl)c(Cl)c1Cl	[O-]c1cc(Cl)c(Cl)c(Cl)c1Cl	mol436	Oc1cc(Cl)c(Cl)c(Cl)c1Cl
8.59	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc([N+](=O)[O-])cc1O	Cc1ccc([N+](=O)[O-])cc1[O-]	mol741	Cc1ccc([N+](=O)[O-])cc1O
8.74	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)c(Cl)c1	Cc1ccc([O-])c(Cl)c1	mol10134	Cc1ccc(O)c(Cl)c1
5.46	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(O[NH+]=Cc2cc(Br)c([O-])c(Br)c2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c([O-])c(Br)c2)c([N+](=O)[O-])c1	mol21728	O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1
4.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl	[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl	mol2478	Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
9.84	Organic Oxygen Acids and Nitrogen Bases	0	-1	OCc1ccccc1O	[O-]c1ccccc1CO	mol9968	OCc1ccccc1O
9.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc2ccccc12	[O-]c1cccc2ccccc12	mol2465	Oc1cccc2ccccc12
7.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1O	mol1424	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
9.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccccc1O	[O-]c1ccccc1O	mol2466	Oc1ccccc1O
10.28	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc2c1CCCC2	[O-]c1cccc2c1CCCC2	mol2463	Oc1cccc2c1CCCC2
9.58	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(O)c2ccccc12	[O-]c1ccc(O)c2ccccc12	mol2469	Oc1ccc(O)c2ccccc12
8.86	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Cl)c2ccccc12	[O-]c1ccc(Cl)c2ccccc12	mol11275	Oc1ccc(Cl)c2ccccc12
3.96	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1cc(I)c(O)c(I)c1	N#Cc1cc(I)c([O-])c(I)c1	mol10279	N#Cc1cc(I)c(O)c(I)c1
10.58	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCc1ccccc1O	CCCCc1ccccc1[O-]	mol11244	CCCCc1ccccc1O
10.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)c(CO)c1	Cc1ccc([O-])c(CO)c1	mol12905	Cc1ccc(O)c(CO)c1
10.59	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)c(C)c1C	Cc1ccc([O-])c(C)c1C	mol1812	Cc1ccc(O)c(C)c1C
10.05	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1c(O)cccc1O	Cc1c([O-])cccc1O	mol1768	Cc1c(O)cccc1O
10.32	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc2c1CCC2	[O-]c1cccc2c1CCC2	mol2235	Oc1cccc2c1CCC2
10.28	Organic Oxygen Acids and Nitrogen Bases	0	-1	C=CCc1ccccc1O	C=CCc1ccccc1[O-]	mol10858	C=CCc1ccccc1O
5.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O	[O-]c1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O	mol1425	Oc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O
6.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Cl)c(Cl)c1Cl	[O-]c1ccc(Cl)c(Cl)c1Cl	mol21729	Oc1ccc(Cl)c(Cl)c1Cl
9.01	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cccc(O)c1O	[O-]c1cccc(O)c1O,[O-]c1c(O)cccc1O	mol9539	Oc1cccc(O)c1O
7.38	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1cc(Cl)c(O)c(Cl)c1	[O-]c1c(Cl)cc(O)cc1Cl,[O-]c1cc(Cl)c(O)c(Cl)c1	mol9622	Oc1cc(Cl)c(O)c(Cl)c1
8.27	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C#N)cc(C)c1O	Cc1cc(C#N)cc(C)c1[O-]	mol1913	Cc1cc(C#N)cc(C)c1O
6.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1O	CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1[O-]	mol2359	CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1O
7.64	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Br)cc1Cl	[O-]c1ccc(Br)cc1Cl	mol9856	Oc1ccc(Br)cc1Cl
8.07	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(-c2ccccc2)cc1Cl	[O-]c1ccc(-c2ccccc2)cc1Cl	mol21730	Oc1ccc(-c2ccccc2)cc1Cl
11.47	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCc1cc(CCC)c(O)c(CCC)c1	CCCc1cc(CCC)c([O-])c(CCC)c1	mol839	CCCc1cc(CCC)c(O)c(CCC)c1
3.64	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(Cl)c(Cl)c1	O=C([O-])c1ccc(Cl)c(Cl)c1	mol10036	O=C(O)c1ccc(Cl)c(Cl)c1
3.54	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(Cl)cc(Cl)c1	O=C([O-])c1cc(Cl)cc(Cl)c1	mol2012	O=C(O)c1cc(Cl)cc(Cl)c1
3.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCC[NH+](CCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1	mol19	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1
3.44	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc([N+](=O)[O-])cc1	O=C([O-])c1ccc([N+](=O)[O-])cc1	mol891	O=C(O)c1ccc([N+](=O)[O-])cc1
4.19	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1	O=C([O-])c1ccccc1	mol32	O=C(O)c1ccccc1
3.98	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(Cl)cc1	O=C([O-])c1ccc(Cl)cc1	mol5605	O=C(O)c1ccc(Cl)cc1
4.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc2ccccc2c1	O=C([O-])c1ccc2ccccc2c1	mol36	O=C(O)c1ccc2ccccc2c1
4.36	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C(=O)O)cc1OC	COc1ccc(C(=O)[O-])cc1OC	mol10894	COc1ccc(C(=O)O)cc1OC
4.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1ccc(C(=O)O)cc1	CC(C)(C)c1ccc(C(=O)[O-])cc1	mol5599	CC(C)(C)c1ccc(C(=O)O)cc1
4.54	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(O)cc1	O=C([O-])c1ccc(O)cc1,O=C(O)c1ccc([O-])cc1	mol2246	O=C(O)c1ccc(O)cc1
4.37	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C(=O)O)cc1	Cc1ccc(C(=O)[O-])cc1	mol5623	Cc1ccc(C(=O)O)cc1
4.48	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(O)c(O)c1	O=C(O)c1ccc(O)c([O-])c1,O=C([O-])c1ccc(O)c(O)c1,O=C(O)c1ccc([O-])c(O)c1	mol2227	O=C(O)c1ccc(O)c(O)c1
2.82	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol918	O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
4.04	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(O)cc(O)c1	O=C([O-])c1cc(O)cc(O)c1,O=C(O)c1cc([O-])cc(O)c1	mol9959	O=C(O)c1cc(O)cc(O)c1
4.74	Organic Oxygen Acids and Nitrogen Bases	0	-1	Nc1cccc(C(=O)O)c1,[NH3+]c1cccc(C(=O)[O-])c1	Nc1cccc(C(=O)[O-])c1	mol5258	Nc1cccc(C(=O)O)c1
3.07	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc(C(=O)O)c1	Nc1cccc(C(=O)O)c1,[NH3+]c1cccc(C(=O)[O-])c1	mol5258	Nc1cccc(C(=O)O)c1
4.27	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(C(=O)O)c1	Cc1cccc(C(=O)[O-])c1	mol5622	Cc1cccc(C(=O)O)c1
4.47	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C(=O)O)cc1	COc1ccc(C(=O)[O-])cc1	mol5620	COc1ccc(C(=O)O)cc1
3.46	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc([N+](=O)[O-])c1	O=C([O-])c1cccc([N+](=O)[O-])c1	mol5625	O=C(O)c1cccc([N+](=O)[O-])c1
4.51	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(C(=O)O)ccc1O	COc1cc(C(=O)[O-])ccc1O,COc1cc(C(=O)O)ccc1[O-]	mol1783	COc1cc(C(=O)O)ccc1O
4.21	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(O)c(O)c(O)c1	O=C(O)c1cc(O)c([O-])c(O)c1,O=C([O-])c1cc(O)c(O)c(O)c1,O=C(O)c1cc([O-])c(O)c(O)c1	mol888	O=C(O)c1cc(O)c(O)c(O)c1
4.85	Organic Oxygen Acids and Nitrogen Bases	0	-1	Nc1ccc(C(=O)O)cc1,[NH3+]c1ccc(C(=O)[O-])cc1	Nc1ccc(C(=O)[O-])cc1	mol5262	Nc1ccc(C(=O)O)cc1
2.38	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(C(=O)O)cc1	Nc1ccc(C(=O)O)cc1,[NH3+]c1ccc(C(=O)[O-])cc1	mol5262	Nc1ccc(C(=O)O)cc1
3.86	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(F)c1	O=C([O-])c1cccc(F)c1	mol5612	O=C(O)c1cccc(F)c1
4.14	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(F)cc1	O=C([O-])c1ccc(F)cc1	mol5613	O=C(O)c1ccc(F)cc1
2.82	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	O=C([O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	mol915	O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
4.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(C(=O)O)cc(OC)c1O	COc1cc(C(=O)O)cc(OC)c1[O-],COc1cc(C(=O)[O-])cc(OC)c1O	mol10904	COc1cc(C(=O)O)cc(OC)c1O
3.81	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(Cl)c1	O=C([O-])c1cccc(Cl)c1	mol5604	O=C(O)c1cccc(Cl)c1
4.35	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)c1ccc(C(=O)O)cc1	CC(C)c1ccc(C(=O)[O-])cc1	mol11213	CC(C)c1ccc(C(=O)O)cc1
3.81	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(Br)c1	O=C([O-])c1cccc(Br)c1	mol5597	O=C(O)c1cccc(Br)c1
3.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)c1ccc(C(=O)O)cc1	CC(=O)c1ccc(C(=O)[O-])cc1	mol1738	CC(=O)c1ccc(C(=O)O)cc1
4.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(Br)cc1	O=C([O-])c1ccc(Br)cc1	mol872	O=C(O)c1ccc(Br)cc1
4.09	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cccc(C(=O)O)c1	COc1cccc(C(=O)[O-])c1	mol5619	COc1cccc(C(=O)O)c1
3.85	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(I)c1	O=C([O-])c1cccc(I)c1	mol5616	O=C(O)c1cccc(I)c1
4.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCOc1ccc(C(=O)O)cc1	CCOc1ccc(C(=O)[O-])cc1	mol5608	CCOc1ccc(C(=O)O)cc1
3.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=Cc1ccc(C(=O)O)cc1	O=Cc1ccc(C(=O)[O-])cc1	mol10389	O=Cc1ccc(C(=O)O)cc1
3.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1ccc(C(=O)O)cc1	N#Cc1ccc(C(=O)[O-])cc1	mol2042	N#Cc1ccc(C(=O)O)cc1
4.35	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCc1ccc(C(=O)O)cc1	CCc1ccc(C(=O)[O-])cc1	mol5610	CCc1ccc(C(=O)O)cc1
4.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(I)cc1	O=C([O-])c1ccc(I)cc1	mol5617	O=C(O)c1ccc(I)cc1
3.84	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=Cc1cccc(C(=O)O)c1	O=Cc1cccc(C(=O)[O-])c1	mol10388	O=Cc1cccc(C(=O)O)c1
3.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(OC)cc(C(=O)O)c1	COc1cc(OC)cc(C(=O)[O-])c1	mol10895	COc1cc(OC)cc(C(=O)O)c1
3.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1cccc(C(=O)O)c1	N#Cc1cccc(C(=O)[O-])c1	mol882	N#Cc1cccc(C(=O)O)c1
4.52	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(Oc2ccccc2)cc1	O=C([O-])c1ccc(Oc2ccccc2)cc1	mol999	O=C(O)c1ccc(Oc2ccccc2)cc1
3.92	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(Oc2ccccc2)c1	O=C([O-])c1cccc(Oc2ccccc2)c1	mol2060	O=C(O)c1cccc(Oc2ccccc2)c1
3.64	Organic Oxygen Acids and Nitrogen Bases	0	-1	CS(=O)(=O)c1ccc(C(=O)O)cc1	CS(=O)(=O)c1ccc(C(=O)[O-])cc1	mol1102	CS(=O)(=O)c1ccc(C(=O)O)cc1
4.46	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCOc1ccc(C(=O)O)cc1	CCCOc1ccc(C(=O)[O-])cc1	mol958	CCCOc1ccc(C(=O)O)cc1
4.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(O)c1	O=C([O-])c1cccc(O)c1,O=C(O)c1cccc([O-])c1	mol5614	O=C(O)c1cccc(O)c1
3.51	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(C(=O)O)cc1	O=C([O-])c1ccc(C(=O)O)cc1	mol5602	O=C(O)c1ccc(C(=O)O)cc1
3.7	Organic Oxygen Acids and Nitrogen Bases	-1	-2	O=C([O-])c1cccc(C(=O)O)c1	O=C([O-])c1cccc(C(=O)[O-])c1	mol5601	O=C(O)c1cccc(C(=O)O)c1
3.59	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(F)cc(F)c1	O=C([O-])c1cc(F)cc(F)c1	mol21731	O=C(O)c1cc(F)cc(F)c1
3.83	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(F)c(F)c1	O=C([O-])c1ccc(F)c(F)c1	mol21732	O=C(O)c1ccc(F)c(F)c1
3.12	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1	O=C([O-])c1cc(C(=O)O)cc(C(=O)O)c1	mol18310	O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1
3.54	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(F)c(F)c(F)c1	O=C([O-])c1cc(F)c(F)c(F)c1	mol21733	O=C(O)c1cc(F)c(F)c(F)c1
3.52	Organic Oxygen Acids and Nitrogen Bases	0	-1	CS(=O)(=O)c1cccc(C(=O)O)c1	CS(=O)(=O)c1cccc(C(=O)[O-])c1	mol1095	CS(=O)(=O)c1cccc(C(=O)O)c1
3.59	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]Cc1ccc(C(=O)O)cc1	NCc1ccc(C(=O)O)cc1,[NH3+]Cc1ccc(C(=O)[O-])cc1	mol5332	NCc1ccc(C(=O)O)cc1
3.47	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(C(=O)O)cc1,[NH3+]S(=O)(=O)c1ccc(C(=O)[O-])cc1	[NH-]S(=O)(=O)c1ccc(C(=O)O)cc1,NS(=O)(=O)c1ccc(C(=O)[O-])cc1	mol10333	NS(=O)(=O)c1ccc(C(=O)O)cc1
4.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C)cc(C(=O)O)c1	Cc1cc(C)cc(C(=O)[O-])c1	mol10869	Cc1cc(C)cc(C(=O)O)c1
4.28	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)Nc1ccc(C(=O)O)cc1	CC(=O)Nc1ccc(C(=O)[O-])cc1	mol21734	CC(=O)Nc1ccc(C(=O)O)cc1
4.07	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)Nc1cccc(C(=O)O)c1	CC(=O)Nc1cccc(C(=O)[O-])c1	mol10986	CC(=O)Nc1cccc(C(=O)O)c1
4.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C(=O)O)cc1C	Cc1ccc(C(=O)[O-])cc1C	mol10868	Cc1ccc(C(=O)O)cc1C
4.38	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)Oc1ccc(C(=O)O)cc1	CC(=O)Oc1ccc(C(=O)[O-])cc1	mol10846	CC(=O)Oc1ccc(C(=O)O)cc1
4.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1cccc(C(=O)O)c1	CC(C)(C)c1cccc(C(=O)[O-])c1	mol1892	CC(C)(C)c1cccc(C(=O)O)c1
3.72	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C(=O)O)cc1[N+](=O)[O-]	COc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	mol21735	COc1ccc(C(=O)O)cc1[N+](=O)[O-]
3.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C(=O)O)cc1[N+](=O)[O-]	Cc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	mol10575	Cc1ccc(C(=O)O)cc1[N+](=O)[O-]
3.29	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	mol13912	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1
3.75	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(C(F)(F)F)c1	O=C([O-])c1cccc(C(F)(F)F)c1	mol17832	O=C(O)c1cccc(C(F)(F)F)c1
5.03	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[NH+](C)c1ccc(C(=O)[O-])cc1,CN(C)c1ccc(C(=O)O)cc1	CN(C)c1ccc(C(=O)[O-])cc1	mol5263	CN(C)c1ccc(C(=O)O)cc1
3.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C(=O)O)ccc1[N+](=O)[O-]	Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	mol10572	Cc1cc(C(=O)O)ccc1[N+](=O)[O-]
4.35	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C(=O)O)cc1C	COc1ccc(C(=O)[O-])cc1C	mol10883	COc1ccc(C(=O)O)cc1C
4.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(C(=O)O)ccc1C	COc1cc(C(=O)[O-])ccc1C	mol10880	COc1cc(C(=O)O)ccc1C
3.29	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C(=O)O)cc1Br	Cc1ccc(C(=O)[O-])cc1Br	mol10538	Cc1ccc(C(=O)O)cc1Br
4.07	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C(=O)O)ccc1Cl	Cc1cc(C(=O)[O-])ccc1Cl	mol10532	Cc1cc(C(=O)O)ccc1Cl
3.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C(=O)O)c(O)c1	Cc1ccc(C(=O)O)c([O-])c1,Cc1ccc(C(=O)[O-])c(O)c1	mol1786	Cc1ccc(C(=O)O)c(O)c1
2.68	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(Cl)cc1Cl	O=C([O-])c1ccc(Cl)cc1Cl	mol10033	O=C(O)c1ccc(Cl)cc1Cl
2.47	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(Cl)ccc1Cl	O=C([O-])c1cc(Cl)ccc1Cl	mol10034	O=C(O)c1cc(Cl)ccc1Cl
3.49	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)Oc1ccccc1C(=O)O	CC(=O)Oc1ccccc1C(=O)[O-]	mol27	CC(=O)Oc1ccccc1C(=O)O
1.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(Cl)ccc(Cl)c1Cl	O=C([O-])c1c(Cl)ccc(Cl)c1Cl	mol2263	O=C(O)c1c(Cl)ccc(Cl)c1Cl
1.59	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(Cl)cccc1Cl	O=C([O-])c1c(Cl)cccc1Cl	mol10035	O=C(O)c1c(Cl)cccc1Cl
5.09	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCOc1cc([NH3+])ccc1C(=O)[O-],CCOc1cc(N)ccc1C(=O)O	CCOc1cc(N)ccc1C(=O)[O-]	mol11049	CCOc1cc(N)ccc1C(=O)O
4.2	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cccc([NH2+]c2ccccc2C(=O)O)c1C	Cc1cccc([NH2+]c2ccccc2C(=O)[O-])c1C,Cc1cccc(Nc2ccccc2C(=O)O)c1C	mol351	Cc1cccc(Nc2ccccc2C(=O)O)c1C
3.66	Organic Oxygen Acids and Nitrogen Bases	0	-1	[NH3+]c1ccc(C(=O)[O-])c(O)c1,[NH3+]c1ccc(C(=O)O)c([O-])c1,Nc1ccc(C(=O)O)c(O)c1	[NH3+]c1ccc(C(=O)[O-])c([O-])c1,Nc1ccc(C(=O)[O-])c(O)c1,Nc1ccc(C(=O)O)c([O-])c1	mol356	Nc1ccc(C(=O)O)c(O)c1
2.05	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(C(=O)O)c(O)c1	[NH3+]c1ccc(C(=O)[O-])c(O)c1,[NH3+]c1ccc(C(=O)O)c([O-])c1,Nc1ccc(C(=O)O)c(O)c1	mol356	Nc1ccc(C(=O)O)c(O)c1
2.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1O	O=C([O-])c1ccccc1O,O=C(O)c1ccccc1[O-]	mol17	O=C(O)c1ccccc1O
2.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(C(=O)O)c1O	Cc1cccc(C(=O)O)c1[O-],Cc1cccc(C(=O)[O-])c1O	mol1785	Cc1cccc(C(=O)O)c1O
2.93	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1I	O=C([O-])c1ccccc1I	mol5615	O=C(O)c1ccccc1I
2.88	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br
3.11	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(O)cc1O	O=C(O)c1ccc(O)cc1[O-],O=C(O)c1ccc([O-])cc1O,O=C([O-])c1ccc(O)cc1O	mol1906	O=C(O)c1ccc(O)cc1O
3.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(O)c(C(=O)O)c1	Cc1ccc([O-])c(C(=O)O)c1,Cc1ccc(O)c(C(=O)[O-])c1	mol1787	Cc1ccc(O)c(C(=O)O)c1
2.66	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(Br)ccc1O	O=C([O-])c1cc(Br)ccc1O,O=C(O)c1cc(Br)ccc1[O-]	mol10075	O=C(O)c1cc(Br)ccc1O
3.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)Nc1ccccc1C(=O)O	CC(=O)Nc1ccccc1C(=O)[O-]	mol10985	CC(=O)Nc1ccccc1C(=O)O
4.36	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C(=O)O)c(OC)c1	COc1ccc(C(=O)[O-])c(OC)c1	mol10892	COc1ccc(C(=O)O)c(OC)c1
3.99	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C([O-])c1ccccc1[NH2+]c1ccccc1,O=C(O)c1ccccc1Nc1ccccc1	O=C([O-])c1ccccc1Nc1ccccc1	mol11854	O=C(O)c1ccccc1Nc1ccccc1
2.79	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc2ccccc2cc1O	O=C(O)c1cc2ccccc2cc1[O-],O=C([O-])c1cc2ccccc2cc1O	mol11489	O=C(O)c1cc2ccccc2cc1O
2.12	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc([N+](=O)[O-])ccc1O	O=C([O-])c1cc([N+](=O)[O-])ccc1O,O=C(O)c1cc([N+](=O)[O-])ccc1[O-]	mol2553	O=C(O)c1cc([N+](=O)[O-])ccc1O
2.14	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc([N+](=O)[O-])cc1Cl	O=C([O-])c1ccc([N+](=O)[O-])cc1Cl	mol1893	O=C(O)c1ccc([N+](=O)[O-])cc1Cl
4.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	Nc1ccccc1C(=O)O,[NH3+]c1ccccc1C(=O)[O-]	Nc1ccccc1C(=O)[O-]	mol5253	Nc1ccccc1C(=O)O
2.14	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccccc1C(=O)O	Nc1ccccc1C(=O)O,[NH3+]c1ccccc1C(=O)[O-]	mol5253	Nc1ccccc1C(=O)O
2.89	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1Cl	O=C([O-])c1ccccc1Cl	mol5603	O=C(O)c1ccccc1Cl
3.98	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccccc1C(=O)O	Cc1ccccc1C(=O)[O-]	mol5621	Cc1ccccc1C(=O)O
2.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O,O=C(O)c1cc(I)ccc1[O-]	mol10080	O=C(O)c1cc(I)ccc1O
0.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	O=C([O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	mol929	O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
2.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C(O)c1cc(I)cc(I)c1[O-],O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O
3.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	[NH3+]c1cc(Cl)cc(C(=O)[O-])c1Cl,Nc1cc(Cl)cc(C(=O)O)c1Cl	Nc1cc(Cl)cc(C(=O)[O-])c1Cl	mol21736	Nc1cc(Cl)cc(C(=O)O)c1Cl
2.91	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(O)c1O	O=C(O)c1cccc([O-])c1O,O=C(O)c1cccc(O)c1[O-],O=C([O-])c1cccc(O)c1O	mol9957	O=C(O)c1cccc(O)c1O
1.05	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(O)cccc1O	O=C(O)c1c([O-])cccc1O,O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
2.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(Cl)ccc1O	O=C(O)c1cc(Cl)ccc1[O-],O=C([O-])c1cc(Cl)ccc1O	mol1782	O=C(O)c1cc(Cl)ccc1O
3.27	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1F	O=C([O-])c1ccccc1F	mol5611	O=C(O)c1ccccc1F
2.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(O)ccc1O	O=C(O)c1cc([O-])ccc1O,O=C([O-])c1cc(O)ccc1O,O=C(O)c1cc(O)ccc1[O-]	mol9958	O=C(O)c1cc(O)ccc1O
2.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1[N+](=O)[O-]	O=C([O-])c1ccccc1[N+](=O)[O-]	mol5624	O=C(O)c1ccccc1[N+](=O)[O-]
4.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)c1ccccc1C(=O)O	CC(=O)c1ccccc1C(=O)[O-]	mol1736	CC(=O)c1ccccc1C(=O)O
3.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccccc1C(=O)O	COc1ccccc1C(=O)[O-]	mol5618	COc1ccccc1C(=O)O
0.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol449	O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
1.42	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	O=C([O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol2368	O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
3.35	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(C)c1C(=O)O	Cc1cccc(C)c1C(=O)[O-]	mol10867	Cc1cccc(C)c1C(=O)O
2.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1c(F)c(F)c(C(=O)O)c(F)c1F	Cc1c(F)c(F)c(C(=O)[O-])c(F)c1F	mol746	Cc1c(F)c(F)c(C(=O)O)c(F)c1F
3.46	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1-c1ccccc1	O=C([O-])c1ccccc1-c1ccccc1	mol15685	O=C(O)c1ccccc1-c1ccccc1
3.44	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cccc(OC)c1C(=O)O	COc1cccc(OC)c1C(=O)[O-]	mol10893	COc1cccc(OC)c1C(=O)O
3.98	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cccc(C(=O)O)c1OC	COc1cccc(C(=O)[O-])c1OC	mol10891	COc1cccc(C(=O)O)c1OC
1.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1c(Cl)ccc(Cl)c1C(=O)O	COc1c(Cl)ccc(Cl)c1C(=O)[O-]	mol2313	COc1c(Cl)ccc(Cl)c1C(=O)O
3.53	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1Oc1ccccc1	O=C([O-])c1ccccc1Oc1ccccc1	mol986	O=C(O)c1ccccc1Oc1ccccc1
3.63	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)c1ccccc1C(=O)O	CC(C)c1ccccc1C(=O)[O-]	mol1819	CC(C)c1ccccc1C(=O)O
2.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc([N+](=O)[O-])ccc1Cl	O=C([O-])c1cc([N+](=O)[O-])ccc1Cl	mol1025	O=C(O)c1cc([N+](=O)[O-])ccc1Cl
2.02	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc([N+](=O)[O-])c1Cl	O=C([O-])c1cccc([N+](=O)[O-])c1Cl	mol1020	O=C(O)c1cccc([N+](=O)[O-])c1Cl
2.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1C(=O)Nc1ccccc1	O=C([O-])c1ccccc1C(=O)Nc1ccccc1	mol701	O=C(O)c1ccccc1C(=O)Nc1ccccc1
1.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]	O=C([O-])c1c(Cl)cccc1[N+](=O)[O-]	mol1029	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]
2.75	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(Cl)c1C(=O)O	Cc1cccc(Cl)c1C(=O)[O-]	mol10527	Cc1cccc(Cl)c1C(=O)O
4.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	NC(=O)C[NH2+]c1ccccc1C(=O)[O-],NC(=O)CNc1ccccc1C(=O)O	NC(=O)CNc1ccccc1C(=O)[O-]	mol21737	NC(=O)CNc1ccccc1C(=O)O
3.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
2.76	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1C(=O)O	O=C([O-])c1ccccc1C(=O)O	mol5600	O=C(O)c1ccccc1C(=O)O
1.87	Organic Oxygen Acids and Nitrogen Bases	-1	-2	O=C([O-])c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O	O=C([O-])c1cc(C(=O)O)c(C(=O)[O-])cc1C(=O)O,O=C([O-])c1cc(C(=O)O)c(C(=O)O)cc1C(=O)[O-],O=C([O-])c1cc(C(=O)[O-])c(C(=O)O)cc1C(=O)O	mol11174	O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
2.85	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(F)cccc1F	O=C([O-])c1c(F)cccc1F	mol21738	O=C(O)c1c(F)cccc1F
3.28	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(F)c(F)cc1F	O=C([O-])c1cc(F)c(F)cc1F	mol21739	O=C(O)c1cc(F)c(F)cc1F
2.72	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(F)c(F)c(F)c(F)c1F	O=C([O-])c1c(F)c(F)c(F)c(F)c1F	mol10025	O=C(O)c1c(F)c(F)c(F)c(F)c1F
2.71	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(F)c(F)cc(F)c1F	O=C([O-])c1c(F)c(F)cc(F)c1F	mol10026	O=C(O)c1c(F)c(F)cc(F)c1F
3.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c2ccccc2cc2ccccc12	O=C([O-])c1c2ccccc2cc2ccccc12	mol15273	O=C(O)c1c2ccccc2cc2ccccc12
3.08	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(F)c(F)c(F)c1F	O=C([O-])c1cc(F)c(F)c(F)c1F	mol21740	O=C(O)c1cc(F)c(F)c(F)c1F
3.58	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(F)cc1F	O=C([O-])c1ccc(F)cc1F	mol21741	O=C(O)c1ccc(F)cc1F
2.82	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(F)ccc(F)c1F	O=C([O-])c1c(F)ccc(F)c1F	mol21742	O=C(O)c1c(F)ccc(F)c1F
3.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(F)ccc1F	O=C([O-])c1cc(F)ccc1F	mol21743	O=C(O)c1cc(F)ccc1F
3.29	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(F)c1F	O=C([O-])c1cccc(F)c1F	mol21744	O=C(O)c1cccc(F)c1F
3.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(F)c(F)c1F	O=C([O-])c1ccc(F)c(F)c1F	mol21745	O=C(O)c1ccc(F)c(F)c1F
1.85	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]	O=C([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-]	mol2043	O=C(O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
1.37	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(Br)cccc1[N+](=O)[O-]	O=C([O-])c1c(Br)cccc1[N+](=O)[O-]	mol1045	O=C(O)c1c(Br)cccc1[N+](=O)[O-]
2.24	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(O)cccc1[N+](=O)[O-]	O=C(O)c1c([O-])cccc1[N+](=O)[O-],O=C([O-])c1c(O)cccc1[N+](=O)[O-]	mol1791	O=C(O)c1c(O)cccc1[N+](=O)[O-]
1.68	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(O)cc(O)cc1O	O=C([O-])c1c(O)cc(O)cc1O,O=C(O)c1c(O)cc([O-])cc1O,O=C(O)c1c([O-])cc(O)cc1O	mol21746	O=C(O)c1c(O)cc(O)cc1O
1.87	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc([N+](=O)[O-])c1O	O=C([O-])c1cccc([N+](=O)[O-])c1O,O=C(O)c1cccc([N+](=O)[O-])c1[O-]	mol1790	O=C(O)c1cccc([N+](=O)[O-])c1O
3.54	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1C(=O)c1ccccc1	O=C([O-])c1ccccc1C(=O)c1ccccc1	mol827	O=C(O)c1ccccc1C(=O)c1ccccc1
3.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C)c(C(=O)O)c(C)c1	Cc1cc(C)c(C(=O)[O-])c(C)c1	mol5626	Cc1cc(C)c(C(=O)O)c(C)c1
3.32	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-],Cc1cccc([O-])c1C(=O)O	mol1788	Cc1cccc(O)c1C(=O)O
1.14	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	O=C([O-])c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	mol909	O=C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]
3.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(C(=O)O)c1C	Cc1cccc(C(=O)[O-])c1C	mol10864	Cc1cccc(C(=O)O)c1C
1.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]	O=C([O-])c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]	mol2373	O=C(O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]
3.99	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C)c(C(=O)O)c1	Cc1ccc(C)c(C(=O)[O-])c1	mol10866	Cc1ccc(C)c(C(=O)O)c1
4.22	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C(=O)O)c(C)c1	Cc1ccc(C(=O)[O-])c(C)c1	mol10865	Cc1ccc(C(=O)O)c(C)c1
3.79	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCc1ccccc1C(=O)O	CCc1ccccc1C(=O)[O-]	mol5609	CCc1ccccc1C(=O)O
1.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(Br)cc(Br)cc1Br	O=C([O-])c1c(Br)cc(Br)cc1Br	mol1807	O=C(O)c1c(Br)cc(Br)cc1Br
3.11	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc2ccccc2c1C(=O)O	Cc1ccc2ccccc2c1C(=O)[O-]	mol1923	Cc1ccc2ccccc2c1C(=O)O
3.42	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(C)c(C)c(C(=O)O)c1C	Cc1cc(C)c(C)c(C(=O)[O-])c1C	mol11519	Cc1cc(C)c(C)c(C(=O)O)c1C
1.87	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc([N+](=O)[O-])c1C(=O)O	Cc1cccc([N+](=O)[O-])c1C(=O)[O-]	mol10570	Cc1cccc([N+](=O)[O-])c1C(=O)O
1.46	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(Cl)ccc(Cl)c1C(=O)O	O=C([O-])c1c(Cl)ccc(Cl)c1C(=O)O	mol21747	O=C(O)c1c(Cl)ccc(Cl)c1C(=O)O
2.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	Cc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	mol1798	Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
3.46	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cccc(C)c1C(=O)O	COc1cccc(C)c1C(=O)[O-]	mol10878	COc1cccc(C)c1C(=O)O
4.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=Cc1ccccc1C(=O)O	O=Cc1ccccc1C(=O)[O-]	mol14119	O=Cc1ccccc1C(=O)O
2.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(F)ccc1O	O=C([O-])c1cc(F)ccc1O,O=C(O)c1cc(F)ccc1[O-]	mol21748	O=C(O)c1cc(F)ccc1O
3.86	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@@H](O)C(=O)O	C[C@@H](O)C(=O)[O-]	mol8987	CC(O)C(=O)O
3.79	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@@H](O)C(=O)O	C[C@@H](O)C(=O)[O-]	mol8987	CC(O)C(=O)O
4.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1	COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1	mol39	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
3.8	Organic Oxygen Acids and Nitrogen Bases	0	-1	[NH3+]c1ccc(C(=O)NCC(=O)[O-])cc1,Nc1ccc(C(=O)NCC(=O)O)cc1	Nc1ccc(C(=O)NCC(=O)[O-])cc1	mol21749	Nc1ccc(C(=O)NCC(=O)O)cc1
2.74	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O	CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	mol21750	CC1(C)SC2C(NC(=O)c3ccccc3)C(=O)N2C1C(=O)O
2.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O	COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-]	mol21751	COc1cccc(OC)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O
3.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CI	O=C([O-])CI	mol1858	O=C(O)CI
4.76	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
3.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CS	O=C(O)C[S-],O=C([O-])CS	mol1934	O=C(O)CS
1.79	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(Cl)(Cl)C(=O)O	CC(Cl)(Cl)C(=O)[O-]	mol2312	CC(Cl)(Cl)C(=O)O
5.03	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)C(=O)O	CC(C)(C)C(=O)[O-]	mol1379	CC(C)(C)C(=O)O
3.05	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C(O)(c1ccccc1)c1ccccc1	O=C([O-])C(O)(c1ccccc1)c1ccccc1	mol1273	O=C(O)C(O)(c1ccccc1)c1ccccc1
0.52	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C(F)(F)F	O=C([O-])C(F)(F)F	mol2578	O=C(O)C(F)(F)F
0.51	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C(Cl)(Cl)Cl	O=C([O-])C(Cl)(Cl)Cl	mol1928	O=C(O)C(Cl)(Cl)Cl
4.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O	C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)[O-]	mol21752	C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O
1.26	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C(Cl)Cl	O=C([O-])C(Cl)Cl	mol1927	O=C(O)C(Cl)Cl
4.84	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)C(=O)O	CC(C)C(=O)[O-]	mol2017	CC(C)C(=O)O
3.83	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
2.87	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCl	O=C([O-])CCl	mol1925	O=C(O)CCl
4.88	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
2.89	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CBr	O=C([O-])CBr	mol1926	O=C(O)CBr
4.98	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C	C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C	mol21753	CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
3.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1c(Cl)ccc(Cl)c1Cl	O=C([O-])Cc1c(Cl)ccc(Cl)c1Cl	mol439	O=C(O)Cc1c(Cl)ccc(Cl)c1Cl
4.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1cccc2ccccc12	O=C([O-])Cc1cccc2ccccc12	mol1891	O=C(O)Cc1cccc2ccccc12
4.75	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1c[nH]c2ccccc12	O=C([O-])Cc1c[nH]c2ccccc12,O=C(O)Cc1c[n-]c2ccccc12	mol1901	O=C(O)Cc1c[nH]c2ccccc12
2.79	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC1(C)S[C@@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)O	CC1(C)S[C@@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	mol21754	CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O
4.71	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCC(CC)C(=O)O	CCC(CC)C(=O)[O-]	mol2577	CCC(CC)C(=O)O
3.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)[C@H](O)c1ccccc1	O=C([O-])[C@H](O)c1ccccc1	mol10400	O=C(O)C(O)c1ccccc1
2.83	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1cc(Cl)c(Cl)cc1Cl	O=C([O-])COc1cc(Cl)c(Cl)cc1Cl	mol2264	O=C(O)COc1cc(Cl)c(Cl)cc1Cl
2.84	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O	C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-]	mol21755	CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
4.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCOc1ccc(Cl)cc1Cl	O=C([O-])CCCOc1ccc(Cl)cc1Cl	mol442	O=C(O)CCCOc1ccc(Cl)cc1Cl
2.73	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccc(Cl)cc1Cl	O=C([O-])COc1ccc(Cl)cc1Cl	mol11	O=C(O)COc1ccc(Cl)cc1Cl
3.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(Cl)ccc1OCC(=O)O	Cc1cc(Cl)ccc1OCC(=O)[O-]	mol1914	Cc1cc(Cl)ccc1OCC(=O)O
4.79	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCC[C@@H](C)C(=O)O	CCC[C@@H](C)C(=O)[O-]	mol9594	CCCC(C)C(=O)O
4.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C1CCCCC1	O=C([O-])C1CCCCC1	mol9997	O=C(O)C1CCCCC1
4.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCC(CCC)C(=O)O	CCCC(CCC)C(=O)[O-]	mol2581	CCCC(CCC)C(=O)O
4.25	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc(O)c(O)c1	O=C([O-])Cc1ccc(O)c(O)c1,O=C(O)Cc1ccc(O)c([O-])c1,O=C(O)Cc1ccc([O-])c(O)c1	mol744	O=C(O)Cc1ccc(O)c(O)c1
4.31	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccccc1	O=C([O-])Cc1ccccc1	mol2258	O=C(O)Cc1ccccc1
3.85	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1	O=C([O-])Cc1ccc([N+](=O)[O-])cc1	mol1920	O=C(O)Cc1ccc([N+](=O)[O-])cc1
4.36	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(CC(=O)O)cc1	COc1ccc(CC(=O)[O-])cc1	mol1883	COc1ccc(CC(=O)O)cc1
3.99	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCl	O=C([O-])CCCl	mol1929	O=C(O)CCCl
4.82	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCC(=O)O	CCCC(=O)[O-]	mol721	CCCC(=O)O
4.81	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@@H](C)C(=O)O	CC[C@@H](C)C(=O)[O-]	mol9331	CCC(C)C(=O)O
3.94	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C(c1ccccc1)c1ccccc1	O=C([O-])C(c1ccccc1)c1ccccc1	mol1134	O=C(O)C(c1ccccc1)c1ccccc1
3.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O	C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-]	mol10971	CC(Oc1ccc(Cl)cc1Cl)C(=O)O
3.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccc(Cl)cc1	O=C([O-])COc1ccc(Cl)cc1	mol466	O=C(O)COc1ccc(Cl)cc1
3.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccccc1	O=C([O-])COc1ccccc1	mol737	O=C(O)COc1ccccc1
4.64	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)CCC(=O)O	CC(=O)CCC(=O)[O-]	mol1860	CC(=O)CCC(=O)O
2.85	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CC(=O)O	O=C([O-])CC(=O)O	mol1887	O=C(O)CC(=O)O
4.09	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCI	O=C([O-])CCI	mol1930	O=C(O)CCI
2.59	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CF	O=C([O-])CF	mol1924	O=C(O)CF
4.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@@H](O)CC(=O)O	C[C@@H](O)CC(=O)[O-]	mol9136	CC(O)CC(=O)O
5.75	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C([O-])CCCc1ccc([NH+](CCCl)CCCl)cc1,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1	O=C([O-])CCCc1ccc(N(CCCl)CCCl)cc1	mol616	O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1
4.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(CC(=O)O)ccc1O	COc1cc(CC(=O)O)ccc1[O-],COc1cc(CC(=O)[O-])ccc1O	mol752	COc1cc(CC(=O)O)ccc1O
2.66	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O	O=C(C=Cc1ccc(O)c([O-])c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)[O-])C[C@@H](O)[C@@H]1O,O=C(C=Cc1ccc([O-])c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O	mol21756	O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O
4.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1cccc(F)c1	O=C([O-])Cc1cccc(F)c1	mol2335	O=C(O)Cc1cccc(F)c1
3.08	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccccc1F	O=C([O-])COc1ccccc1F	mol759	O=C(O)COc1ccccc1F
2.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#CCC(=O)O	N#CCC(=O)[O-]	mol1876	N#CCC(=O)O
3.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1cccc(F)c1	O=C([O-])COc1cccc(F)c1	mol760	O=C(O)COc1cccc(F)c1
3.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccc(F)cc1	O=C([O-])COc1ccc(F)cc1	mol761	O=C(O)COc1ccc(F)cc1
4.24	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc(F)cc1	O=C([O-])Cc1ccc(F)cc1	mol1873	O=C(O)Cc1ccc(F)cc1
3.89	Organic Oxygen Acids and Nitrogen Bases	0	-1	NC(=O)NCC(=O)O	NC(=O)NCC(=O)[O-]	mol748	NC(=O)NCC(=O)O
3.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)[C@H](O)CO	O=C([O-])[C@H](O)CO	mol21757	O=C(O)C(O)CO
4.66	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCc1ccccc1	O=C([O-])CCc1ccccc1	mol1918	O=C(O)CCc1ccccc1
4.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)CC(=O)O	CC(C)CC(=O)[O-]	mol15937	CC(C)CC(=O)O
4.51	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCO	O=C([O-])CCO	mol8988	O=C(O)CCO
3.53	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@@](O)(C(=O)O)c1ccccc1	C[C@@](O)(C(=O)[O-])c1ccccc1	mol12548	CC(O)(C(=O)O)c1ccccc1
3.12	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
5.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCCC[C@H]1NC(=O)CS1	O=C([O-])CCCCC[C@H]1NC(=O)CS1	mol21758	O=C(O)CCCCCC1NC(=O)CS1
4.25	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc2ccccc2c1	O=C([O-])Cc1ccc2ccccc2c1	mol1910	O=C(O)Cc1ccc2ccccc2c1
3.07	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1cccc(Cl)c1	O=C([O-])COc1cccc(Cl)c1	mol10554	O=C(O)COc1cccc(Cl)c1
2.92	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccc(Cl)c(Cl)c1	O=C([O-])COc1ccc(Cl)c(Cl)c1	mol10503	O=C(O)COc1ccc(Cl)c(Cl)c1
3.61	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(O)C(=O)O	CC(C)(O)C(=O)[O-]	mol1826	CC(C)(O)C(=O)O
3.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C(=O)O)C(=O)O	CC(C)(C(=O)[O-])C(=O)O	mol755	CC(C)(C(=O)O)C(=O)O
5.03	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCC(C)(C)C(=O)O	CCC(C)(C)C(=O)[O-]	mol9593	CCC(C)(C)C(=O)O
2.8	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@H](Cl)C(=O)O	C[C@H](Cl)C(=O)[O-]	mol9031	CC(Cl)C(=O)O
2.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@H](Br)C(=O)O	C[C@H](Br)C(=O)[O-]	mol9032	CC(Br)C(=O)O
2.96	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCC(C(=O)O)C(=O)O	CCC(C(=O)[O-])C(=O)O	mol9328	CCC(C(=O)O)C(=O)O
3.05	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccccc1Cl	O=C([O-])COc1ccccc1Cl	mol10553	O=C(O)COc1ccccc1Cl
2.99	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCC(C(=O)O)C(=O)O	CCCC(C(=O)[O-])C(=O)O	mol9585	CCCC(C(=O)O)C(=O)O
3.89	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCC[C@H](O)C(=O)O	CCC[C@H](O)C(=O)[O-]	mol9333	CCCC(O)C(=O)O
4.37	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(CC(=O)O)cc1	Cc1ccc(CC(=O)[O-])cc1	mol1843	Cc1ccc(CC(=O)O)cc1
4.84	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)CCC(=O)O	CC(C)CCC(=O)[O-]	mol12442	CC(C)CCC(=O)O
3.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=CN(O)CC(=O)O	O=CN([O-])CC(=O)O,O=CN(O)CC(=O)[O-]	mol21759	O=CN(O)CC(=O)O
3.21	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(OCC(=O)O)cc1	Cc1ccc(OCC(=O)[O-])cc1	mol12546	Cc1ccc(OCC(=O)O)cc1
3.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(OCC(=O)O)c1	Cc1cccc(OCC(=O)[O-])c1	mol12545	Cc1cccc(OCC(=O)O)c1
4.83	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C1CC1	O=C([O-])C1CC1	mol15829	O=C(O)C1CC1
3.09	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
2.89	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccc([N+](=O)[O-])cc1	O=C([O-])COc1ccc([N+](=O)[O-])cc1	mol1817	O=C(O)COc1ccc([N+](=O)[O-])cc1
4.18	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc(I)cc1	O=C([O-])Cc1ccc(I)cc1	mol1260	O=C(O)Cc1ccc(I)cc1
4.76	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCc1ccccc1	O=C([O-])CCCc1ccccc1	mol1160	O=C(O)CCCc1ccccc1
3.21	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(OCC(=O)O)cc1	COc1ccc(OCC(=O)[O-])cc1	mol21760	COc1ccc(OCC(=O)O)cc1
3.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1cccc([N+](=O)[O-])c1	O=C([O-])Cc1cccc([N+](=O)[O-])c1	mol2575	O=C(O)Cc1cccc([N+](=O)[O-])c1
3.16	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccc(I)cc1	O=C([O-])COc1ccc(I)cc1	mol21761	O=C(O)COc1ccc(I)cc1
3.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1cccc(I)c1	O=C([O-])COc1cccc(I)c1	mol21762	O=C(O)COc1cccc(I)c1
3.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccccc1I	O=C([O-])COc1ccccc1I	mol21763	O=C(O)COc1ccccc1I
3.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccc(Br)cc1	O=C([O-])COc1ccc(Br)cc1	mol21764	O=C(O)COc1ccc(Br)cc1
2.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1cccc([N+](=O)[O-])c1	O=C([O-])COc1cccc([N+](=O)[O-])c1	mol1825	O=C(O)COc1cccc([N+](=O)[O-])c1
2.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccccc1[N+](=O)[O-]	O=C([O-])COc1ccccc1[N+](=O)[O-]	mol13298	O=C(O)COc1ccccc1[N+](=O)[O-]
3.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccccc1OCC(=O)O	COc1ccccc1OCC(=O)[O-]	mol21765	COc1ccccc1OCC(=O)O
2.93	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1ccc(OCC(=O)O)cc1	N#Cc1ccc(OCC(=O)[O-])cc1	mol1823	N#Cc1ccc(OCC(=O)O)cc1
4.16	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1cccc(I)c1	O=C([O-])Cc1cccc(I)c1	mol1257	O=C(O)Cc1cccc(I)c1
4.19	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc(Br)cc1	O=C([O-])Cc1ccc(Br)cc1	mol1244	O=C(O)Cc1ccc(Br)cc1
4.19	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc(Cl)cc1	O=C([O-])Cc1ccc(Cl)cc1	mol1236	O=C(O)Cc1ccc(Cl)cc1
4.14	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1cccc(Cl)c1	O=C([O-])Cc1cccc(Cl)c1	mol1232	O=C(O)Cc1cccc(Cl)c1
3.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccccc1OCC(=O)O	Cc1ccccc1OCC(=O)[O-]	mol12547	Cc1ccccc1OCC(=O)O
3.03	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1cccc(OCC(=O)O)c1	N#Cc1cccc(OCC(=O)[O-])c1	mol21766	N#Cc1cccc(OCC(=O)O)c1
3.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccccc1Br	O=C([O-])COc1ccccc1Br	mol21767	O=C(O)COc1ccccc1Br
3.14	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cccc(OCC(=O)O)c1	COc1cccc(OCC(=O)[O-])c1	mol21768	COc1cccc(OCC(=O)O)c1
4.88	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCCc1ccccc1	O=C([O-])CCCCc1ccccc1	mol42	O=C(O)CCCCc1ccccc1
3.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1cccc2ccccc12	O=C([O-])COc1cccc2ccccc12	mol21769	O=C(O)COc1cccc2ccccc12
3.04	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cn1c(=O)sc2cccc(Cl)c21	O=C([O-])Cn1c(=O)sc2cccc(Cl)c21	mol474	O=C(O)Cn1c(=O)sc2cccc(Cl)c21
4.8	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CC1CCCCC1	O=C([O-])CC1CCCCC1	mol12907	O=C(O)CC1CCCCC1
3.02	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccccc1O	O=C(O)COc1ccccc1[O-],O=C([O-])COc1ccccc1O	mol10413	O=C(O)COc1ccccc1O
3.42	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc([C@@H](O)C(=O)O)cc1	COc1ccc([C@@H](O)C(=O)[O-])cc1	mol10889	COc1ccc(C(O)C(=O)O)cc1
4.37	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCc1ccc(CC(=O)O)cc1	CCc1ccc(CC(=O)[O-])cc1	mol2418	CCc1ccc(CC(=O)O)cc1
4.15	Organic Oxygen Acids and Nitrogen Bases	1	0	O=C(O)Cc1ccccc1[NH2+]c1c(Cl)cccc1Cl	O=C([O-])Cc1ccccc1[NH2+]c1c(Cl)cccc1Cl,O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl	mol33	O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
4.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1	CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1	mol40	CC(C)Cc1ccc(C(C)C(=O)O)cc1
3.68	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O	Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[O-]	mol21770	Cc1cc(Cl)ccc1OC(C)C(=O)O
3.1	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O	Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[O-]	mol21770	Cc1cc(Cl)ccc1OC(C)C(=O)O
4.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCOc1cccc2ccccc12	O=C([O-])CCOc1cccc2ccccc12	mol21771	O=C(O)CCOc1cccc2ccccc12
3.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C([O-])Cc1sc(-c2ccccc2)[nH+]c1-c1ccc(Cl)cc1,O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1	O=C([O-])Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1	mol21772	O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1
4.04	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccccc1I	O=C([O-])Cc1ccccc1I	mol1253	O=C(O)Cc1ccccc1I
4.71	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCC[C@@H](CC)C(=O)O	CCC[C@@H](CC)C(=O)[O-]	mol21773	CCCC(CC)C(=O)O
4.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1	C[C@H](C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1	mol31	CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
4.29	Organic Oxygen Acids and Nitrogen Bases	0	-1	C=CCOc1ccc(CC(=O)O)cc1Cl	C=CCOc1ccc(CC(=O)[O-])cc1Cl	mol21774	C=CCOc1ccc(CC(=O)O)cc1Cl
4.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1	COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1	mol37	COc1ccc2cc(C(C)C(=O)O)ccc2c1
4.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@H](C(=O)O)c1cccc(Oc2ccccc2)c1	C[C@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1	mol19257	CC(C(=O)O)c1cccc(Oc2ccccc2)c1
4.42	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1ccc(CC(=O)O)cc1	CC(C)(C)c1ccc(CC(=O)[O-])cc1	mol2090	CC(C)(C)c1ccc(CC(=O)O)cc1
4.51	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1	O=C([O-])CCC(=O)c1ccc(-c2ccccc2)cc1	mol15455	O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
4.7	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc([S@+](C)[O-])cc1	CC1=C(CC(=O)[O-])c2cc(F)ccc2C1=Cc1ccc([S@+](C)[O-])cc1	mol21775	CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc([S+](C)[O-])cc1
3.91	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1	C[C@H](C(=O)[O-])c1ccc(C(=O)c2cccs2)cc1	mol365	CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1
3.43	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O	C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)[O-]	mol21776	CC(Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O
4.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,O=C([O-])Cc1cn(-c2ccccc2)[nH+]c1-c1ccc(Cl)cc1	O=C([O-])Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	mol21777	O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
2.68	Organic Oxygen Acids and Nitrogen Bases	1	0	O=C(O)COc1[nH+]c(Cl)c(Cl)cc1Cl	O=C([O-])COc1[nH+]c(Cl)c(Cl)cc1Cl,O=C(O)COc1nc(Cl)c(Cl)cc1Cl	mol1937	O=C(O)COc1nc(Cl)c(Cl)cc1Cl
3.71	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CS2	O=C([O-])Cc1ccc2c(c1)C(=O)c1ccccc1CS2	mol21778	O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CS2
3.72	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@H](C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1	C[C@H](C(=O)[O-])N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1	mol29	CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1
3.12	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)c[nH+]2)cc1)C(=O)[O-],C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O	C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-]	mol21779	CC(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O
2.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	C[C@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O,C[C@H](Oc1ccc(Oc2[nH+]cc(C(F)(F)F)cc2Cl)cc1)C(=O)[O-]	C[C@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)[O-]	mol21780	CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O
3.49	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)O	O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)[O-]	mol358	O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
2.96	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])COc1ccc(Cl)c([N+](=O)[O-])c1	mol21781	O=C(O)COc1ccc(Cl)c([N+](=O)[O-])c1
5.32	Organic Oxygen Acids and Nitrogen Bases	-1	-2	O=C1CC(C(=O)O)CC(=O)C1=C([O-])C1CC1,O=C1CC(C(=O)[O-])CC(=O)C1=C(O)C1CC1	O=C1CC(C(=O)[O-])CC(=O)C1=C([O-])C1CC1	mol21782	O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1
2.82	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]3O)ccc12	Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@H]3O)ccc12	mol21783	Cc1cc(=O)oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc12
4.43	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCCCCC(=O)O	NCCCCCC(=O)O,[NH3+]CCCCCC(=O)[O-]	mol5278	NCCCCCC(=O)O
4.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCC=CCC=CCCCCCCCC(=O)O	CCCCCC=CCC=CCCCCCCCC(=O)[O-]	mol12205	CCCCCC=CCC=CCCCCCCCC(=O)O
4.26	Organic Oxygen Acids and Nitrogen Bases	0	-1	C=CC(=O)O	C=CC(=O)[O-]	mol2570	C=CC(=O)O
4.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	C=C(C)C(=O)O	C=C(C)C(=O)[O-]	mol2559	C=C(C)C(=O)O
4.96	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC=C(C)C(=O)O	CC=C(C)C(=O)[O-]	mol21784	CC=C(C)C(=O)O
3.06	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)[C@@H](O)[C@@H](O)C(=O)O	O=C([O-])[C@@H](O)[C@@H](O)C(=O)O	mol9132	O=C(O)C(O)C(O)C(=O)O
4.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC=CC(=O)O	CC=CC(=O)[O-]	mol21785	CC=CC(=O)O
4.84	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCC(=O)O	CCCCC(=O)[O-]	mol1882	CCCCC(=O)O
4.21	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCC(=O)O	O=C([O-])CCC(=O)O	mol2334	O=C(O)CCC(=O)O
3.03	Organic Oxygen Acids and Nitrogen Bases	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
4.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCC(=O)O	O=C([O-])CCCC(=O)O	mol747	O=C(O)CCCC(=O)O
4.8	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCCC(=O)O	CCCCCCC(=O)[O-]	mol10022	CCCCCCC(=O)O
4.51	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCCCC(=O)O	O=C([O-])CCCCCC(=O)O	mol10013	O=C(O)CCCCCC(=O)O
4.11	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCSCCC(=O)O	O=C([O-])CCSCCC(=O)O	mol9790	O=C(O)CCSCCC(=O)O
4.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCCCCC(=O)O	CCCCCCCCC(=O)[O-]	mol18553	CCCCCCCCC(=O)O
4.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCCCCCC(=O)O	O=C([O-])CCCCCCCC(=O)O	mol497	O=C(O)CCCCCCCC(=O)O
4.44	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCCC(=O)O	O=C([O-])CCCCC(=O)O	mol750	O=C(O)CCCCC(=O)O
4.89	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCCCC(=O)O	CCCCCCCC(=O)[O-]	mol18556	CCCCCCCC(=O)O
2.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)C(=O)O	CC(=O)C(=O)[O-]	mol1866	CC(=O)C(=O)O
4.44	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C=Cc1ccccc1	O=C([O-])C=Cc1ccccc1	mol21787	O=C(O)C=Cc1ccccc1
4.88	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCC(=O)O	CCCCCC(=O)[O-]	mol1779	CCCCCC(=O)O
5.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCCCCCCCC(=O)O	CCCCCCCCCCCC(=O)[O-]	mol780	CCCCCCCCCCCC(=O)O
1.25	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C(=O)O	O=C([O-])C(=O)O	mol2014	O=C(O)C(=O)O
3.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2	mol10447	O=C(O)C1C2CCC(O2)C1C(=O)O
3.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=CC(=O)O	O=CC(=O)[O-]	mol1772	O=CC(=O)O
4.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C=Cc1ccc(O)c(O)c1	O=C([O-])C=Cc1ccc(O)c(O)c1,O=C(O)C=Cc1ccc(O)c([O-])c1,O=C(O)C=Cc1ccc([O-])c(O)c1	mol10853	O=C(O)C=Cc1ccc(O)c(O)c1
4.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCCCCCC(=O)O	CCCCCCCCCC(=O)[O-]	mol12863	CCCCCCCCCC(=O)O
4.64	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C=Cc1ccc(O)cc1	O=C([O-])C=Cc1ccc(O)cc1,O=C(O)C=Cc1ccc([O-])cc1	mol21788	O=C(O)C=Cc1ccc(O)cc1
4.52	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCCCCC(=O)O	O=C([O-])CCCCCCC(=O)O	mol10470	O=C(O)CCCCCCC(=O)O
3.59	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)CC(=O)O	CC(=O)CC(=O)[O-]	mol9128	CC(=O)CC(=O)O
4.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCCCCCCCCCC(=O)O	CCCCCCCCCCCCCC(=O)[O-]	mol11943	CCCCCCCCCCCCCC(=O)O
3.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	O=C([O-])Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol2130	O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
4.05	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C=Cc1ccc([N+](=O)[O-])cc1	O=C([O-])C=Cc1ccc([N+](=O)[O-])cc1	mol21789	O=C(O)C=Cc1ccc([N+](=O)[O-])cc1
4.52	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCCCCCC(=O)O	NCCCCCCC(=O)O,[NH3+]CCCCCCC(=O)[O-]	mol10267	NCCCCCCC(=O)O
4.54	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C=CC(=O)O)cc1	COc1ccc(C=CC(=O)[O-])cc1	mol21790	COc1ccc(C=CC(=O)O)cc1
4.59	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCCCCCCC(=O)O	[NH3+]CCCCCCCC(=O)[O-],NCCCCCCCC(=O)O	mol14074	NCCCCCCCC(=O)O
4.46	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccccc1C=CC(=O)O	COc1ccccc1C=CC(=O)[O-]	mol21791	COc1ccccc1C=CC(=O)O
4.58	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cc(C=CC(=O)O)ccc1O	COc1cc(C=CC(=O)[O-])ccc1O,COc1cc(C=CC(=O)O)ccc1[O-]	mol21792	COc1cc(C=CC(=O)O)ccc1O
1.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C(Cl)=C(Cl)Cl	O=C([O-])C(Cl)=C(Cl)Cl	mol21793	O=C(O)C(Cl)=C(Cl)Cl
4.53	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C=CC(=O)O)cc1OC	COc1ccc(C=CC(=O)[O-])cc1OC	mol21794	COc1ccc(C=CC(=O)O)cc1OC
3.75	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=CO	O=C[O-]	mol720	O=CO
4.72	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCO	O=C([O-])CCCO	mol2552	O=C(O)CCCO
1.48	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C[N+](=O)[O-]	O=C([O-])C[N+](=O)[O-]	mol1774	O=C(O)C[N+](=O)[O-]
4.52	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCCl	O=C([O-])CCCCl	mol1752	O=C(O)CCCCl
4.07	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccccc1Cl	O=C([O-])Cc1ccccc1Cl	mol1225	O=C(O)Cc1ccccc1Cl
4.58	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCBr	O=C([O-])CCCBr	mol21795	O=C(O)CCCBr
4.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	C=CCC(=O)O	C=CCC(=O)[O-]	mol9126	C=CCC(=O)O
3.99	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCBr	O=C([O-])CCBr	mol9033	O=C(O)CCBr
3.68	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@@H](O)C(=O)O	CC[C@@H](O)C(=O)[O-]	mol9135	CCC(O)C(=O)O
2.84	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@@H](Cl)C(=O)O	CC[C@@H](Cl)C(=O)[O-]	mol21796	CCC(Cl)C(=O)O
2.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@@H](Br)C(=O)O	CC[C@@H](Br)C(=O)[O-]	mol21797	CCC(Br)C(=O)O
1.24	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C(F)F	O=C([O-])C(F)F	mol1767	O=C(O)C(F)F
0.3	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol1675	Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
2.51	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cc(Cl)cc(Cl)c1	Nc1cc(Cl)cc(Cl)c1	mol1667	Nc1cc(Cl)cc(Cl)c1
4.35	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(-c2ccccc2)cc1	Nc1ccc(-c2ccccc2)cc1	mol1740	Nc1ccc(-c2ccccc2)cc1
1.64	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc([NH3+])ccc1[N+](=O)[O-]	Cc1cc(N)ccc1[N+](=O)[O-]	mol2082	Cc1cc(N)ccc1[N+](=O)[O-]
2.24	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(C(=O)c2ccccc2)cc1	Nc1ccc(C(=O)c2ccccc2)cc1	mol976	Nc1ccc(C(=O)c2ccccc2)cc1
2.54	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc([NH3+])cc(C)c1[N+](=O)[O-]	Cc1cc(N)cc(C)c1[N+](=O)[O-]	mol1037	Cc1cc(N)cc(C)c1[N+](=O)[O-]
0.4	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([NH3+])cc1[N+](=O)[O-]	Cc1ccc(N)cc1[N+](=O)[O-]	mol1076	Cc1ccc(N)cc1[N+](=O)[O-]
1.35	Organic Oxygen Acids and Nitrogen Bases	1	0	CS(=O)(=O)c1ccc([NH3+])cc1	CS(=O)(=O)c1ccc(N)cc1	mol1078	CS(=O)(=O)c1ccc(N)cc1
1.9	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Cl)c([N+](=O)[O-])c1	Nc1ccc(Cl)c([N+](=O)[O-])c1	mol1004	Nc1ccc(Cl)c([N+](=O)[O-])c1
2.45	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(C(F)(F)F)cc1	Nc1ccc(C(F)(F)F)cc1	mol1092	Nc1ccc(C(F)(F)F)cc1
2.47	Organic Oxygen Acids and Nitrogen Bases	1	0	COC(=O)c1ccc([NH3+])cc1	COC(=O)c1ccc(N)cc1	mol1066	COC(=O)c1ccc(N)cc1
2.47	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCOC(=O)c1ccc([NH3+])cc1	CCCCOC(=O)c1ccc(N)cc1	mol987	CCCCOC(=O)c1ccc(N)cc1
2.49	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCOC(=O)c1ccc([NH3+])cc1	CCCOC(=O)c1ccc(N)cc1	mol1085	CCCOC(=O)c1ccc(N)cc1
2.51	Organic Oxygen Acids and Nitrogen Bases	1	0	CCOC(=O)c1ccc([NH3+])cc1	CCOC(=O)c1ccc(N)cc1	mol2074	CCOC(=O)c1ccc(N)cc1
2.97	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Cl)c(Cl)c1	Nc1ccc(Cl)c(Cl)c1	mol2537	Nc1ccc(Cl)c(Cl)c1
3.49	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc(C(F)(F)F)c1	Nc1cccc(C(F)(F)F)c1	mol1091	Nc1cccc(C(F)(F)F)c1
3.58	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc(Br)c1	Nc1cccc(Br)c1	mol978	Nc1cccc(Br)c1
3.61	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc(I)c1	Nc1cccc(I)c1	mol1055	Nc1cccc(I)c1
3.78	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(I)cc1	Nc1ccc(I)cc1	mol1056	Nc1ccc(I)cc1
3.86	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Br)cc1	Nc1ccc(Br)cc1	mol979	Nc1ccc(Br)cc1
4.05	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc([NH3+])ccc1Br	Cc1cc(N)ccc1Br	mol1646	Cc1cc(N)ccc1Br
2.3	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Br)cc1Br	Nc1ccc(Br)cc1Br	mol2066	Nc1ccc(Br)cc1Br
3.03	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([NH3+])c([N+](=O)[O-])c1	Cc1ccc(N)c([N+](=O)[O-])c1	mol2539	Cc1ccc(N)c([N+](=O)[O-])c1
3.83	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccccc1-c1ccccc1	Nc1ccccc1-c1ccccc1	mol1174	Nc1ccccc1-c1ccccc1
-2.55	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1c(Cl)cc([N+](=O)[O-])cc1Cl	Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	mol3340	Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
0.98	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc([N+](=O)[O-])cc(C)c1[NH3+]	Cc1cc([N+](=O)[O-])cc(C)c1N	mol1036	Cc1cc([N+](=O)[O-])cc(C)c1N
2.05	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cc(Cl)ccc1Cl	Nc1cc(Cl)ccc1Cl	mol1022	Nc1cc(Cl)ccc1Cl
-4.25	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol3350	Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
-1.02	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Cl)cc1[N+](=O)[O-]	Nc1ccc(Cl)cc1[N+](=O)[O-]	mol1003	Nc1ccc(Cl)cc1[N+](=O)[O-]
-0.94	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc([N+](=O)[O-])cc1Cl	Nc1ccc([N+](=O)[O-])cc1Cl	mol1657	Nc1ccc([N+](=O)[O-])cc1Cl
-0.28	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1c(F)c(F)c(F)c(F)c1F	Nc1c(F)c(F)c(F)c(F)c1F	mol1456	Nc1c(F)c(F)c(F)c(F)c1F
0.42	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1c(Cl)cccc1Cl	Nc1c(Cl)cccc1Cl	mol1666	Nc1c(Cl)cccc1Cl
0.77	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc([NH3+])c([N+](=O)[O-])c1	COc1ccc(N)c([N+](=O)[O-])c1	mol1694	COc1ccc(N)c([N+](=O)[O-])c1
1.04	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc([N+](=O)[O-])ccc1[NH3+]	Cc1cc([N+](=O)[O-])ccc1N	mol2411	Cc1cc([N+](=O)[O-])ccc1N
1.76	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc(Cl)c1Cl	Nc1cccc(Cl)c1Cl	mol2536	Nc1cccc(Cl)c1Cl
2.0	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Cl)cc1Cl	Nc1ccc(Cl)cc1Cl	mol2067	Nc1ccc(Cl)cc1Cl
2.18	Organic Oxygen Acids and Nitrogen Bases	1	0	CCOC(=O)c1ccccc1[NH3+]	CCOC(=O)c1ccccc1N	mol1044	CCOC(=O)c1ccccc1N
2.23	Organic Oxygen Acids and Nitrogen Bases	1	0	COC(=O)c1ccccc1[NH3+]	COC(=O)c1ccccc1N	mol1064	COC(=O)c1ccccc1N
2.35	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([N+](=O)[O-])cc1[NH3+]	Cc1ccc([N+](=O)[O-])cc1N	mol1702	Cc1ccc([N+](=O)[O-])cc1N
2.36	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1[NH3+]	Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1N	mol1090	Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1N
2.49	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc([N+](=O)[O-])cc1[NH3+]	COc1ccc([N+](=O)[O-])cc1N	mol1693	COc1ccc([N+](=O)[O-])cc1N
2.53	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.6	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccccc1I	Nc1ccccc1I	mol2405	Nc1ccccc1I
-5.0	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	mol6029	Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
-0.03	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1c(Cl)cc(Cl)cc1Cl	Nc1c(Cl)cc(Cl)cc1Cl	mol1723	Nc1c(Cl)cc(Cl)cc1Cl
1.09	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cc(Cl)c(Cl)cc1Cl	Nc1cc(Cl)c(Cl)cc1Cl	mol1722	Nc1cc(Cl)c(Cl)cc1Cl
3.93	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc(OC)c([NH3+])c1	COc1ccc(OC)c(N)c1	mol1673	COc1ccc(OC)c(N)c1
2.82	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1ccc(N=[NH+]c2ccccc2)cc1,[NH3+]c1ccc(N=Nc2ccccc2)cc1	Nc1ccc(N=Nc2ccccc2)cc1	mol21798	Nc1ccc(N=Nc2ccccc2)cc1
4.6	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
2.41	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1ccc(S(=O)(=O)c2ccc([NH3+])cc2)cc1	Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1	mol21799	Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
4.7	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cccc([NH3+])c1C	Cc1cccc(N)c1C	mol2069	Cc1cccc(N)c1C
3.95	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cccc(C)c1[NH3+]	Cc1cccc(C)c1N	mol2070	Cc1cccc(C)c1N
4.38	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C)c([NH3+])c(C)c1	Cc1cc(C)c(N)c(C)c1	mol1097	Cc1cc(C)c(N)c(C)c1
-0.28	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccccc1[N+](=O)[O-]	Nc1ccccc1[N+](=O)[O-]	mol1081	Nc1ccccc1[N+](=O)[O-]
4.53	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.16	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1
4.66	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1ccc(-c2ccc([NH3+])cc2)cc1	Nc1ccc(-c2ccc(N)cc2)cc1	mol3501	Nc1ccc(-c2ccc(N)cc2)cc1
4.43	Organic Oxygen Acids and Nitrogen Bases	1	0	CCOc1ccccc1[NH3+]	CCOc1ccccc1N	mol1041	CCOc1ccccc1N
2.66	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccccc1Cl	Nc1ccccc1Cl	mol994	Nc1ccccc1Cl
4.44	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccccc1[NH3+]	Cc1ccccc1N	mol2410	Cc1ccccc1N
4.47	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1ccccc1[NH3+]	Nc1ccccc1N	mol3314	Nc1ccccc1N
5.28	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C
4.89	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([NH3+])c(C)c1	Cc1ccc(N)c(C)c1	mol1031	Cc1ccc(N)c(C)c1
3.85	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(Cl)ccc1[NH3+]	Cc1cc(Cl)ccc1N	mol1652	Cc1cc(Cl)ccc1N
4.05	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([NH3+])cc1Cl	Cc1ccc(N)cc1Cl	mol1001	Cc1ccc(N)cc1Cl
4.53	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc(C)c([NH3+])c1	Cc1ccc(C)c(N)c1	mol2402	Cc1ccc(C)c(N)c1
1.0	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,[NH3+]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol9661	Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
2.9	Organic Oxygen Acids and Nitrogen Bases	1	0	NS(=O)(=O)c1cccc([NH3+])c1,Nc1cccc(S([NH3+])(=O)=O)c1	Nc1cccc(S(N)(=O)=O)c1	mol1088	Nc1cccc(S(N)(=O)=O)c1
3.56	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=O)c1cccc([NH3+])c1	CC(=O)c1cccc(N)c1	mol973	CC(=O)c1cccc(N)c1
2.47	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc([N+](=O)[O-])c1	Nc1cccc([N+](=O)[O-])c1	mol1082	Nc1cccc([N+](=O)[O-])c1
4.85	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)c1ccc([NH3+])cc1	CC(C)c1ccc(N)cc1	mol1687	CC(C)c1ccc(N)cc1
1.0	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc([N+](=O)[O-])cc1	Nc1ccc([N+](=O)[O-])cc1	mol2413	Nc1ccc([N+](=O)[O-])cc1
5.34	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc([NH3+])cc1	COc1ccc(N)cc1	mol2407	COc1ccc(N)cc1
3.98	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
5.1	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([NH3+])cc1	Cc1ccc(N)cc1	mol1075	Cc1ccc(N)cc1
6.16	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1ccc([NH3+])cc1	Nc1ccc(N)cc1	mol3316	Nc1ccc(N)cc1
3.52	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc(Cl)c1	Nc1cccc(Cl)c1	mol995	Nc1cccc(Cl)c1
4.69	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
4.98	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1cccc([NH3+])c1	Nc1cccc(N)c1	mol3315	Nc1cccc(N)c1
4.79	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C)cc([NH3+])c1	Cc1cc(C)cc(N)c1	mol2071	Cc1cc(C)cc(N)c1
4.5	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(-c2ccc([NH3+])c(C)c2)ccc1N	Cc1cc(-c2ccc(N)c(C)c2)ccc1N	mol3505	Cc1cc(-c2ccc(N)c(C)c2)ccc1N
3.92	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc2ccccc12	Nc1cccc2ccccc12	mol1190	Nc1cccc2ccccc12
5.09	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C)c([NH3+])cc1C	Cc1cc(C)c(N)cc1C	mol21800	Cc1cc(C)c(N)cc1C
5.2	Organic Oxygen Acids and Nitrogen Bases	1	0	CCOc1ccc([NH3+])cc1	CCOc1ccc(N)cc1	mol1043	CCOc1ccc(N)cc1
3.2	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F
3.66	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(F)c(Cl)c1	Nc1ccc(F)c(Cl)c1	mol1650	Nc1ccc(F)c(Cl)c1
4.65	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
3.5	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
4.44	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1cccc2cccc([NH3+])c12	Nc1cccc2cccc(N)c12	mol6301	Nc1cccc2cccc(N)c12
4.24	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1cccc([NH3+])c1	COc1cccc(N)c1	mol1062	COc1cccc(N)c1
2.22	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=O)c1ccccc1[NH3+]	CC(=O)c1ccccc1N	mol972	CC(=O)c1ccccc1N
4.3	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1ccccc1[NH3+]	CCc1ccccc1N	mol1047	CCc1ccccc1N
5.0	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1ccc([NH3+])cc1	CCc1ccc(N)cc1	mol1773	CCc1ccc(N)cc1
4.1	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc2cc3ccccc3cc12	Nc1cccc2cc3ccccc3cc12	mol1106	Nc1cccc2cc3ccccc3cc12
4.42	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)c1ccccc1[NH3+]	CC(C)c1ccccc1N	mol1060	CC(C)c1ccccc1N
4.95	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)(C)c1ccc([NH3+])cc1	CC(C)(C)c1ccc(N)cc1	mol992	CC(C)(C)c1ccc(N)cc1
1.74	Organic Oxygen Acids and Nitrogen Bases	1	0	N#Cc1ccc([NH3+])cc1	N#Cc1ccc(N)cc1	mol1008	N#Cc1ccc(N)cc1
4.0	Organic Oxygen Acids and Nitrogen Bases	1	0	CSc1cccc([NH3+])c1	CSc1cccc(N)c1	mol1079	CSc1cccc(N)c1
2.75	Organic Oxygen Acids and Nitrogen Bases	1	0	N#Cc1cccc([NH3+])c1	N#Cc1cccc(N)c1	mol1007	N#Cc1cccc(N)c1
4.44	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1cccc2c([NH3+])cccc12	Nc1cccc2c(N)cccc12	mol3539	Nc1cccc2c(N)cccc12
3.45	Organic Oxygen Acids and Nitrogen Bases	1	0	CSc1ccccc1[NH3+]	CSc1ccccc1N	mol1708	CSc1ccccc1N
4.38	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1,Nc1ccc([NH2+]c2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1	mol21801	Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1
3.87	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc2c1Cc1ccccc1-2	Nc1cccc2c1Cc1ccccc1-2	mol1176	Nc1cccc2c1Cc1ccccc1-2
2.96	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)c1ccc(N=Nc2ccccc2)cc1,CN(C)c1ccc(N=[NH+]c2ccccc2)cc1	CN(C)c1ccc(N=Nc2ccccc2)cc1	mol21802	CN(C)c1ccc(N=Nc2ccccc2)cc1
1.4	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(=[OH+])n(-c2ccccc2)n1C	Cc1cc(=O)n(-c2ccccc2)n1C	mol4008	Cc1cc(=O)n(-c2ccccc2)n1C
4.83	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)c1cccc2ccccc12	CN(C)c1cccc2ccccc12	mol1219	CN(C)c1cccc2ccccc12
6.57	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+](CC)c1ccccc1	CCN(CC)c1ccccc1	mol2068	CCN(CC)c1ccccc1
5.63	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([NH+](C)C)cc1	Cc1ccc(N(C)C)cc1	mol1096	Cc1ccc(N(C)C)cc1
6.35	Organic Oxygen Acids and Nitrogen Bases	1	0	CN(C)c1ccc([NH+](C)C)cc1	CN(C)c1ccc(N(C)C)cc1	mol12565	CN(C)c1ccc(N(C)C)cc1
0.61	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)c1ccc([N+](=O)[O-])cc1	CN(C)c1ccc([N+](=O)[O-])cc1	mol1035	CN(C)c1ccc([N+](=O)[O-])cc1
4.85	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+]c1ccccc1	CNc1ccccc1	mol1073	CNc1ccccc1
5.25	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH2+]c1cccc(C)c1	CCNc1cccc(C)c1	mol2210	CCNc1cccc(C)c1
5.12	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH2+]c1ccccc1	CCNc1ccccc1	mol1046	CCNc1ccccc1
4.19	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH2+]c1cccc2ccccc12	CCNc1cccc2ccccc12	mol1221	CCNc1cccc2ccccc12
5.15	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)c1ccccc1	CN(C)c1ccccc1	mol1028	CN(C)c1ccccc1
5.34	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cccc([NH+](C)C)c1	Cc1cccc(N(C)C)c1	mol1094	Cc1cccc(N(C)C)c1
0.78	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc([NH2+]c2ccccc2)cc1	c1ccc(Nc2ccccc2)cc1	mol1084	c1ccc(Nc2ccccc2)cc1
4.06	Organic Oxygen Acids and Nitrogen Bases	1	0	OCC[NH2+]c1ccccc1	OCCNc1ccccc1	mol3360	OCCNc1ccccc1
-0.5	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=[OH+])N(C)c1ccccc1	CC(=O)N(C)c1ccccc1	mol3311	CC(=O)N(C)c1ccccc1
5.94	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccccc1[NH+](C)C	Cc1ccccc1N(C)C	mol1093	Cc1ccccc1N(C)C
4.62	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+]c1ccccc1C	CNc1ccccc1C	mol2400	CNc1ccccc1C
2.63	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)c1cccc([N+](=O)[O-])c1	CN(C)c1cccc([N+](=O)[O-])c1	mol1034	CN(C)c1cccc([N+](=O)[O-])c1
5.36	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+]c1ccc(C)cc1	CNc1ccc(C)cc1	mol1030	CNc1ccc(C)cc1
5.0	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+]c1cccc(C)c1	CNc1cccc(C)c1	mol2401	CNc1cccc(C)c1
5.85	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc([NH+](C)C)cc1	COc1ccc(N(C)C)cc1	mol1071	COc1ccc(N(C)C)cc1
5.3	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)[NH2+]c1ccccc1	CC(C)Nc1ccccc1	mol1059	CC(C)Nc1ccccc1
5.12	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
1.78	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)c1ccc(C#N)cc1	CN(C)c1ccc(C#N)cc1	mol3333	CN(C)c1ccc(C#N)cc1
3.67	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+]c1cccc2ccccc12	CNc1cccc2ccccc12	mol1222	CNc1cccc2ccccc12
9.93	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+][C@H]1CCc2ccccc2C1	N[C@H]1CCc2ccccc2C1	mol3536	NC1CCc2ccccc2C1
9.83	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]([NH3+])c1ccccc1	C[C@H](N)c1ccccc1	mol3413	CC(N)c1ccccc1
10.13	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1
9.9	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]([NH3+])Cc1ccccc1	C[C@H](N)Cc1ccccc1	mol3430	CC(N)Cc1ccccc1
10.71	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC[NH3+]	CCCN	mol873	CCCN
10.78	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.87	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH3+]	CCN	mol171	CCN
10.63	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]C1CCCCC1	NC1CCCCC1	mol953	NC1CCCCC1
9.33	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]Cc1ccccc1	NCc1ccccc1	mol1157	NCc1ccccc1
9.36	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc(C[NH3+])cc1	Cc1ccc(CN)cc1	mol2562	Cc1ccc(CN)cc1
9.53	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc(C[C@H](C)[NH3+])cc1	COc1ccc(C[C@H](C)N)cc1	mol3433	COc1ccc(CC(C)N)cc1
9.67	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@@H]([NH3+])Cc1ccc2c(c1)OCO2	C[C@@H](N)Cc1ccc2c(c1)OCO2	mol3434	CC(N)Cc1ccc2c(c1)OCO2
9.79	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]([NH3+])CCc1ccccc1	C[C@H](N)CCc1ccccc1	mol3411	CC(N)CCc1ccccc1
10.16	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCCc1ccccc1	NCCCc1ccccc1	mol2088	NCCCc1ccccc1
10.36	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCCCc1ccccc1	NCCCCc1ccccc1	mol122	NCCCCc1ccccc1
10.68	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)C[NH3+]	CC(C)CN	mol2366	CC(C)CN
8.89	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]Cc1ccco1	NCc1ccco1	mol670	NCc1ccco1
5.7	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CC(F)(F)F	NCC(F)(F)F	mol193	NCC(F)(F)F
9.56	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1cc(CC[NH3+])cc(OC)c1OC	COc1cc(CCN)cc(OC)c1OC	mol687	COc1cc(CCN)cc(OC)c1OC
9.7	Organic Oxygen Acids and Nitrogen Bases	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
10.56	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[C@H](C)[NH3+]	CC[C@H](C)N	mol3207	CCC(C)N
10.62	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH3+]	CN	mol846	CN
10.63	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)[NH3+]	CC(C)N	mol874	CC(C)N
10.68	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)(C)[NH3+]	CC(C)(C)N	mol2039	CC(C)(C)N
9.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	NCCc1c[nH]c2ccc(O)cc12,[NH3+]CCc1c[nH]c2ccc([O-])cc12	NCCc1c[nH]c2ccc([O-])cc12,NCCc1c[n-]c2ccc(O)cc12	mol2573	NCCc1c[nH]c2ccc(O)cc12
9.8	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCc1c[nH]cn1,NCCc1c[nH]c[nH+]1	NCCc1c[nH]cn1	mol2589	NCCc1c[nH]cn1
8.79	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]([NH3+])[C@H](O)c1cccc(O)c1	C[C@H]([NH3+])[C@H](O)c1cccc([O-])c1,C[C@H](N)[C@H](O)c1cccc(O)c1	mol21803	CC(N)C(O)c1cccc(O)c1
2.03	Organic Oxygen Acids and Nitrogen Bases	1	0	NC(N)=[SH+]	NC(N)=S	mol5819	NC(N)=S
7.38	Organic Oxygen Acids and Nitrogen Bases	0	-1	[NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-],N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	N[C@H](Cc1c[n-]c2ccccc12)C(=O)O,N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	mol5	NC(Cc1c[nH]c2ccccc12)C(=O)O
8.069	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]C(CO)(CO)CO	NC(CO)(CO)CO	mol2252	NC(CO)(CO)CO
9.937	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H](O)C[NH3+]	C[C@H](O)CN	mol5868	CC(O)CN
9.52	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
3.7	Organic Oxygen Acids and Nitrogen Bases	1	0	N[NH2+]c1ccc([N+](=O)[O-])cc1,[NH3+]Nc1ccc([N+](=O)[O-])cc1	NNc1ccc([N+](=O)[O-])cc1	mol8876	NNc1ccc([N+](=O)[O-])cc1
9.922	Organic Oxygen Acids and Nitrogen Bases	1	0	NCC[NH3+]	NCCN	mol3135	NCCN
10.62	Organic Oxygen Acids and Nitrogen Bases	1	0	NCCC[NH3+]	NCCCN	mol3184	NCCCN
10.63	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCC[NH3+]	CCCCCN	mol921	CCCCCN
10.8	Organic Oxygen Acids and Nitrogen Bases	1	0	NCCCC[NH3+]	NCCCCN	mol3216	NCCCCN
10.64	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCCC[NH3+]	CCCCCCN	mol932	CCCCCCN
10.66	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCCCC[NH3+]	CCCCCCCN	mol2384	CCCCCCCN
10.65	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCCCCC[NH3+]	CCCCCCCCN	mol942	CCCCCCCCN
10.64	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCCCCCC[NH3+]	CCCCCCCCCN	mol948	CCCCCCCCCN
8.801	Organic Oxygen Acids and Nitrogen Bases	1	0	CC([NH3+])(CO)CO	CC(N)(CO)CO	mol876	CC(N)(CO)CO
8.8	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC([NH3+])(CO)CO	CCC(N)(CO)CO	mol2374	CCC(N)(CO)CO
10.58	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCC[C@H](C)[NH3+]	CCCCC[C@H](C)N	mol3248	CCCCCC(C)N
11.02	Organic Oxygen Acids and Nitrogen Bases	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.63	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCCCCCCCCC[NH3+]	CCCCCCCCCCCCN	mol951	CCCCCCCCCCCCN
10.65	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCCCCCCCCCCCCCCC[NH3+]	CCCCCCCCCCCCCCCCCCN	mol3270	CCCCCCCCCCCCCCCCCCN
10.194	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)([NH3+])CO	CC(C)(N)CO	mol2038	CC(C)(N)CO
9.499	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCO	NCCO	mol854	NCCO
9.96	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
7.96	Organic Oxygen Acids and Nitrogen Bases	1	0	N[NH3+]	NN	mol21804	NN
9.18	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH3+])CC[C@@]4(C)[C@@H]3CC[C@@]12C	CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@@]4(C)[C@@H]3CC[C@@]12C	mol21805	CC(=O)C1CCC2C3CCC4CC(N)CCC4(C)C3CCC12C
5.34	Organic Oxygen Acids and Nitrogen Bases	1	0	N#CC[NH3+]	N#CCN	mol3066	N#CCN
5.05	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]Nc1ccc(Br)cc1,N[NH2+]c1ccc(Br)cc1	NNc1ccc(Br)cc1	mol8813	NNc1ccc(Br)cc1
10.24	Organic Oxygen Acids and Nitrogen Bases	1	0	N[C@H]1CCCC[C@@H]1[NH3+]	N[C@H]1CCCC[C@@H]1N	mol21806	NC1CCCCC1N
8.15	Organic Oxygen Acids and Nitrogen Bases	1	0	C#CC[NH3+]	C#CCN	mol905	C#CCN
10.03	Organic Oxygen Acids and Nitrogen Bases	1	0	NCCc1cccc[nH+]1,[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
9.09	Organic Oxygen Acids and Nitrogen Bases	1	0	NCc1cccc[nH+]1,[NH3+]Cc1ccccn1	NCc1ccccn1	mol3613	NCc1ccccn1
8.5	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]Cc1ccc([N+](=O)[O-])cc1	NCc1ccc([N+](=O)[O-])cc1	mol1562	NCc1ccc([N+](=O)[O-])cc1
9.44	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@@H]([NH3+])[C@H](O)c1ccccc1	C[C@@H](N)[C@H](O)c1ccccc1	mol3424	CC(N)C(O)c1ccccc1
11.13	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[C@H](C)C[NH3+]	CCCC[C@H](C)CN	mol21807	CCCCC(C)CN
8.71	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[C@@H]([NH3+])C(=O)Nc1c(C)cccc1C	CC[C@@H](N)C(=O)Nc1c(C)cccc1C	mol21808	CCC(N)C(=O)Nc1c(C)cccc1C
10.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(S(N)(=O)=O)cc1	Cc1ccc(S([NH-])(=O)=O)cc1	mol3485	Cc1ccc(S(N)(=O)=O)cc1
10.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	CNc1ccc(S(N)(=O)=O)cc1	CNc1ccc(S([NH-])(=O)=O)cc1	mol21809	CNc1ccc(S(N)(=O)=O)cc1
9.27	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCO)cc1	[NH-]S(=O)(=O)c1ccc(SCCO)cc1	mol20963	NS(=O)(=O)c1ccc(SCCO)cc1
9.38	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCO)cc1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCO)cc1	mol20961	NS(=O)(=O)c1ccc(S(=O)(=O)CCO)cc1
10.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCCO)cc1	[NH-]S(=O)(=O)c1ccc(SCCCO)cc1	mol20974	NS(=O)(=O)c1ccc(SCCCO)cc1
10.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(O)CCSc1ccc(S(N)(=O)=O)cc1	CC(C)(O)CCSc1ccc(S([NH-])(=O)=O)cc1	mol20973	CC(C)(O)CCSc1ccc(S(N)(=O)=O)cc1
9.25	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCCCCO)cc1	[NH-]S(=O)(=O)c1ccc(SCCCCCO)cc1	mol20962	NS(=O)(=O)c1ccc(SCCCCCO)cc1
8.98	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)cc1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCO)cc1	mol20970	NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)cc1
9.35	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(O)CCS(=O)(=O)c1ccc(S(N)(=O)=O)cc1	CC(C)(O)CCS(=O)(=O)c1ccc(S([NH-])(=O)=O)cc1	mol20956	CC(C)(O)CCS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
9.42	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCO)c([N+](=O)[O-])c1	[NH-]S(=O)(=O)c1ccc(SCCO)c([N+](=O)[O-])c1	mol20983	NS(=O)(=O)c1ccc(SCCO)c([N+](=O)[O-])c1
9.38	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCCO)c([N+](=O)[O-])c1	[NH-]S(=O)(=O)c1ccc(SCCCO)c([N+](=O)[O-])c1	mol20965	NS(=O)(=O)c1ccc(SCCCO)c([N+](=O)[O-])c1
8.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)c([N+](=O)[O-])c1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCO)c([N+](=O)[O-])c1	mol20987	NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)c([N+](=O)[O-])c1
9.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	Nc1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCO)c(N)c1	mol20944	Nc1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO
9.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	COC(=O)c1cc(S(N)(=O)=O)ccc1SCCCO	COC(=O)c1cc(S([NH-])(=O)=O)ccc1SCCCO	mol20955	COC(=O)c1cc(S(N)(=O)=O)ccc1SCCCO
8.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	COC(=O)c1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO	COC(=O)c1cc(S([NH-])(=O)=O)ccc1S(=O)(=O)CCCO	mol20957	COC(=O)c1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO
9.76	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCO)c(F)c1	[NH-]S(=O)(=O)c1ccc(SCCO)c(F)c1	mol20986	NS(=O)(=O)c1ccc(SCCO)c(F)c1
9.45	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCCO)c(Cl)c1	[NH-]S(=O)(=O)c1ccc(SCCCO)c(Cl)c1	mol20984	NS(=O)(=O)c1ccc(SCCCO)c(Cl)c1
9.64	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCCO)c(F)c1	[NH-]S(=O)(=O)c1ccc(SCCCO)c(F)c1	mol20949	NS(=O)(=O)c1ccc(SCCCO)c(F)c1
9.82	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCCCO)c(F)c1	[NH-]S(=O)(=O)c1ccc(SCCCCO)c(F)c1	mol20977	NS(=O)(=O)c1ccc(SCCCCO)c(F)c1
9.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCO)c(F)c1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCO)c(F)c1	mol20946	NS(=O)(=O)c1ccc(S(=O)(=O)CCO)c(F)c1
9.02	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)c(F)c1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCO)c(F)c1	mol20964	NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)c(F)c1
9.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)c(F)c1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCCO)c(F)c1	mol20952	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)c(F)c1
8.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1	COc1ccc(C(=O)c2csc(S([NH-])(=O)=O)c2)cc1	mol21192	COc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1
7.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1cc(C(=O)c2ccc(O)cc2)cs1,[NH3+]S(=O)(=O)c1cc(C(=O)c2ccc([O-])cc2)cs1	NS(=O)(=O)c1cc(C(=O)c2ccc([O-])cc2)cs1,[NH-]S(=O)(=O)c1cc(C(=O)c2ccc(O)cc2)cs1	mol21188	NS(=O)(=O)c1cc(C(=O)c2ccc(O)cc2)cs1
9.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C(=O)c2coc(S(N)(=O)=O)c2)cc1	COc1ccc(C(=O)c2coc(S([NH-])(=O)=O)c2)cc1	mol21156	COc1ccc(C(=O)c2coc(S(N)(=O)=O)c2)cc1
9.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1	Cc1ccc(C(=O)c2csc(S([NH-])(=O)=O)c2)cc1	mol21189	Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1
8.78	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1	COc1ccc(S(=O)(=O)c2csc(S([NH-])(=O)=O)c2)cc1	mol21173	COc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1
9.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1	[NH-]S(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1	mol16121	NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1
8.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1	Cc1ccc(S(=O)(=O)c2csc(S([NH-])(=O)=O)c2)cc1	mol21193	Cc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1
8.02	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)cc1	Cc1ccc(S(=O)(=O)c2coc(S([NH-])(=O)=O)c2)cc1	mol21165	Cc1ccc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)cc1
6.32	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)cc1	COc1ccc(S(=O)(=O)c2coc(S([NH-])(=O)=O)c2)cc1	mol21187	COc1ccc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)cc1
8.65	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)OCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1	CC(=O)OCCS(=O)(=O)c1ccc(S([NH-])(=O)=O)s1	mol20945	CC(=O)OCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1
9.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCCCO)s1	[NH-]S(=O)(=O)c1ccc(SCCCCO)s1	mol20947	NS(=O)(=O)c1ccc(SCCCCO)s1
8.67	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)s1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCCO)s1	mol20954	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)s1
10.17	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCCCO)cc1	[NH-]S(=O)(=O)c1ccc(SCCCCO)cc1	mol20958	NS(=O)(=O)c1ccc(SCCCCO)cc1
9.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)cc1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCCO)cc1	mol20959	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)cc1
9.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	COC(=O)c1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCO	COC(=O)c1cc(S([NH-])(=O)=O)ccc1S(=O)(=O)CCO	mol20948	COC(=O)c1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCO
10.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(CCCO)cc1	[NH-]S(=O)(=O)c1ccc(CCCO)cc1	mol20967	NS(=O)(=O)c1ccc(CCCO)cc1
10.22	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)OCCCc1ccc(S(N)(=O)=O)cc1	CC(=O)OCCCc1ccc(S([NH-])(=O)=O)cc1	mol20978	CC(=O)OCCCc1ccc(S(N)(=O)=O)cc1
10.32	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(CCCCO)cc1	[NH-]S(=O)(=O)c1ccc(CCCCO)cc1	mol20950	NS(=O)(=O)c1ccc(CCCCO)cc1
10.28	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(CCCCCO)cc1	[NH-]S(=O)(=O)c1ccc(CCCCCO)cc1	mol20981	NS(=O)(=O)c1ccc(CCCCCO)cc1
10.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)OCCCCCc1ccc(S(N)(=O)=O)cc1	CC(=O)OCCCCCc1ccc(S([NH-])(=O)=O)cc1	mol20971	CC(=O)OCCCCCc1ccc(S(N)(=O)=O)cc1
10.21	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)(C)C[NH3+]	CC(C)(C)CN	mol877	CC(C)(C)CN
10.08	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+]CCc1ccccc1	CNCCc1ccccc1	mol2096	CNCCc1ccccc1
11.09	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
11.28	Organic Oxygen Acids and Nitrogen Bases	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.39	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[NH2+]CCCC	CCCCNCCCC	mol913	CCCCNCCCC
8.49	Organic Oxygen Acids and Nitrogen Bases	1	0	C1COCC[NH2+]1	C1COCCN1	mol186	C1COCCN1
9.29	Organic Oxygen Acids and Nitrogen Bases	1	0	C=CC[NH2+]CC=C	C=CCNCC=C	mol902	C=CCNCC=C
9.54	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+]Cc1ccccc1	CNCc1ccccc1	mol1896	CNCc1ccccc1
9.64	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH2+]Cc1ccccc1	CCNCc1ccccc1	mol2098	CCNCc1ccccc1
9.87	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+][C@@H](C)Cc1ccccc1	CN[C@@H](C)Cc1ccccc1	mol3483	CNC(C)Cc1ccccc1
10.9	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[NH2+]C	CCCCNC	mol2000	CCCCNC
11.0	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC[NH2+]CCC	CCCNCCC	mol901	CCCNCCC
11.07	Organic Oxygen Acids and Nitrogen Bases	1	0	C1CCC[NH2+]CC1	C1CCCNCC1	mol194	C1CCCNCC1
11.07	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)[NH2+]C(C)C	CC(C)NC(C)C	mol900	CC(C)NC(C)C
11.72	Organic Oxygen Acids and Nitrogen Bases	1	0	CC1(C)CCCC(C)(C)[NH2+]1	CC1(C)CCCC(C)(C)N1	mol228	CC1(C)CCCC(C)(C)N1
11.08	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]1CCCC[NH2+]1	C[C@H]1CCCCN1	mol3581	CC1CCCCN1
11.29	Organic Oxygen Acids and Nitrogen Bases	1	0	C1C[NH2+]C1	C1CNC1	mol173	C1CNC1
11.31	Organic Oxygen Acids and Nitrogen Bases	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
8.7	Organic Oxygen Acids and Nitrogen Bases	1	0	c1c[nH+]cc([C@@H]2CCCCN2)c1,c1cncc([C@@H]2CCCC[NH2+]2)c1	c1cncc([C@@H]2CCCCN2)c1	mol12776	c1cncc(C2CCCCN2)c1
3.21	Organic Oxygen Acids and Nitrogen Bases	2	1	c1c[nH+]cc([C@@H]2CCCC[NH2+]2)c1	c1c[nH+]cc([C@@H]2CCCCN2)c1,c1cncc([C@@H]2CCCC[NH2+]2)c1	mol12776	c1cncc(C2CCCCN2)c1
9.4	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc([C@@H]2CCC[NH2+]2)cc1	c1ccc([C@@H]2CCCN2)cc1	mol3890	c1ccc(C2CCCN2)cc1
10.73	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+]C	CNC	mol851	CNC
11.0	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC[C@@H]1CCCC[NH2+]1	CCC[C@@H]1CCCCN1	mol3591	CCCC1CCCCN1
10.4	Organic Oxygen Acids and Nitrogen Bases	1	0	C1CCC([NH2+]C2CCCCC2)CC1	C1CCC(NC2CCCCC2)CC1	mol1764	C1CCC(NC2CCCCC2)CC1
10.4	Organic Oxygen Acids and Nitrogen Bases	1	0	CNCCC[NH+]1c2ccccc2CCc2ccccc21,C[NH2+]CCCN1c2ccccc2CCc2ccccc21	CNCCCN1c2ccccc2CCc2ccccc21	mol120	CNCCCN1c2ccccc2CCc2ccccc21
9.42	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)[NH2+]C[C@H](O)c1ccc2ccccc2c1	CC(C)NC[C@H](O)c1ccc2ccccc2c1	mol6303	CC(C)NCC(O)c1ccc2ccccc2c1
8.22	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]1C[NH2+]1	C[C@H]1CN1	mol21810	CC1CN1
10.252	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH2+][C@@H](C)[C@H](O)c1ccccc1	CN[C@@H](C)[C@H](O)c1ccccc1	mol110	CNC(C)C(O)c1ccccc1
9.66	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]1C[NH2+][C@@H](C)CN1	C[C@H]1CN[C@@H](C)CN1	mol21811	CC1CNC(C)CN1
10.16	Organic Oxygen Acids and Nitrogen Bases	1	0	CNCC[NH2+]C	CNCCNC	mol3124	CNCCNC
9.731	Organic Oxygen Acids and Nitrogen Bases	1	0	C1C[NH2+]CCN1	C1CNCCN1	mol3958	C1CNCCN1
10.91	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)C[NH2+]CC(C)C	CC(C)CNCC(C)C	mol2045	CC(C)CNCC(C)C
9.1	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H](O)C[NH2+]C[C@@H](C)O	C[C@H](O)CNC[C@@H](C)O	mol13507	CC(O)CNCC(C)O
8.96	Organic Oxygen Acids and Nitrogen Bases	1	0	OCC[NH2+]CCO	OCCNCCO	mol870	OCCNCCO
11.06	Organic Oxygen Acids and Nitrogen Bases	1	0	CCNCC[NH2+]CC	CCNCCNCC	mol3120	CCNCCNCC
5.26	Organic Oxygen Acids and Nitrogen Bases	1	0	N#CCC[NH2+]CCC#N	N#CCCNCCC#N	mol3131	N#CCCNCCC#N
8.04	Organic Oxygen Acids and Nitrogen Bases	1	0	C1C[NH2+]1	C1CN1	mol170	C1CN1
9.42	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc12	CC(C)NC[C@H](O)COc1cccc2ccccc12	mol100	CC(C)NCC(O)COc1cccc2ccccc12
10.35	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=S(=O)(O)CCCNC1CCCCC1,O=S(=O)([O-])CCC[NH2+]C1CCCCC1	O=S(=O)([O-])CCCNC1CCCCC1	mol21812	O=S(=O)(O)CCCNC1CCCCC1
7.71	Organic Oxygen Acids and Nitrogen Bases	1	0	CCN[NH2+]CC	CCNNCC	mol5800	CCNNCC
8.64	Organic Oxygen Acids and Nitrogen Bases	1	0	CC1(C)C[NH2+]1	CC1(C)CN1	mol1227	CC1(C)CN1
5.09	Organic Oxygen Acids and Nitrogen Bases	0	-1	NC(=O)NS(=O)(=O)Cc1ccccc1	NC(=O)[N-]S(=O)(=O)Cc1ccccc1	mol21813	NC(=O)NS(=O)(=O)Cc1ccccc1
11.01	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[C@@H](C)[NH2+][C@H](C)CC	CC[C@@H](C)N[C@H](C)CC	mol3214	CCC(C)NC(C)CC
11.23	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)(C)[NH2+]C1CCCCC1	CC(C)(C)NC1CCCCC1	mol3292	CC(C)(C)NC1CCCCC1
7.67	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+]1CCOCC1	CCN1CCOCC1	mol3949	CCN1CCOCC1
6.98	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1C[C@@H](C)O[C@@H](C)C1	C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1	mol51	CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1
10.16	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+](C)C	CCN(C)C	mol178	CCN(C)C
10.19	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[NH+](C)C	CCCCN(C)C	mol198	CCCCN(C)C
7.38	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
8.0	Organic Oxygen Acids and Nitrogen Bases	1	0	CN(C)Cc1ccc[nH+]c1,C[NH+](C)Cc1cccnc1	CN(C)Cc1cccnc1	mol1268	CN(C)Cc1cccnc1
8.31	Organic Oxygen Acids and Nitrogen Bases	1	0	C=CC[NH+](CC=C)CC=C	C=CCN(CC=C)CC=C	mol2371	C=CCN(CC=C)CC=C
8.75	Organic Oxygen Acids and Nitrogen Bases	1	0	CN(C)CCc1cccc[nH+]1,C[NH+](C)CCc1ccccn1	CN(C)CCc1ccccn1	mol1265	CN(C)CCc1ccccn1
8.86	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)CCc1cccnc1,CN(C)CCc1ccc[nH+]c1	CN(C)CCc1cccnc1	mol2129	CN(C)CCc1cccnc1
4.3	Organic Oxygen Acids and Nitrogen Bases	2	1	C[NH+](C)CCc1ccc[nH+]c1	C[NH+](C)CCc1cccnc1,CN(C)CCc1ccc[nH+]c1	mol2129	CN(C)CCc1cccnc1
8.91	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)Cc1ccccc1	CN(C)Cc1ccccc1	mol2260	CN(C)Cc1ccccc1
8.94	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC(=O)C(C[C@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1	CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1	mol3222	CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
9.13	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)CC[C@H](c1ccc(Cl)cc1)c1ccccn1,CN(C)CC[C@H](c1ccc(Cl)cc1)c1cccc[nH+]1	CN(C)CC[C@H](c1ccc(Cl)cc1)c1ccccn1	mol133	CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
9.28	Organic Oxygen Acids and Nitrogen Bases	1	0	c1c[nH+]cc(CCN2CCCC2)c1,c1cncc(CC[NH+]2CCCC2)c1	c1cncc(CCN2CCCC2)c1	mol1289	c1cncc(CCN2CCCC2)c1
10.08	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1CCCCC1	CN1CCCCC1	mol195	CN1CCCCC1
10.32	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1CCCC1	CN1CCCC1	mol185	CN1CCCC1
10.78	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.41	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC[NH+]1CCCCC1	CCCN1CCCCC1	mol221	CCCN1CCCCC1
11.25	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1C(C)(C)CCCC1(C)C	CN1C(C)(C)CCCC1(C)C	mol1254	CN1C(C)(C)CCCC1(C)C
8.18	Organic Oxygen Acids and Nitrogen Bases	1	0	CN1CCC[C@@H]1c1ccc[nH+]c1,C[NH+]1CCC[C@@H]1c1cccnc1	CN1CCC[C@@H]1c1cccnc1	mol124	CN1CCCC1c1cccnc1
3.1	Organic Oxygen Acids and Nitrogen Bases	2	1	C[NH+]1CCC[C@@H]1c1ccc[nH+]c1	CN1CCC[C@@H]1c1ccc[nH+]c1,C[NH+]1CCC[C@@H]1c1cccnc1	mol124	CN1CCCC1c1cccnc1
6.57	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+](CCCl)CCCl	CCN(CCCl)CCCl	mol859	CCN(CCCl)CCCl
7.16	Organic Oxygen Acids and Nitrogen Bases	1	0	COC(=O)C1=CCC[NH+](C)C1	COC(=O)C1=CCCN(C)C1	mol1846	COC(=O)C1=CCCN(C)C1
8.66	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc(C(C)C)c(OCC[NH+](C)C)c1	Cc1ccc(C(C)C)c(OCCN(C)C)c1	mol14467	Cc1ccc(C(C)C)c(OCCN(C)C)c1
8.72	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=O)Oc1cc(C(C)C)c(OCC[NH+](C)C)cc1C	CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C	mol20922	CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C
8.9	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@@H]1CCCC[NH+]1CCCOC(=O)c1ccc(Cl)c(Cl)c1	C[C@@H]1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1	mol21814	CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1
8.91	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccccc1[C@@H](OCC[NH+](C)C)c1ccccc1	Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1	mol16585	Cc1ccccc1C(OCCN(C)C)c1ccccc1
8.98	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)CCOC(c1ccccc1)c1ccccc1	CN(C)CCOC(c1ccccc1)c1ccccc1	mol87	CN(C)CCOC(c1ccccc1)c1ccccc1
9.8	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)C	CN(C)C	mol174	CN(C)C
10.1	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCCCC1	C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1	mol21815	CC(Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1
10.65	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC[NH+](CCC)CCC	CCCN(CCC)CCC	mol897	CCCN(CCC)CCC
10.89	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[NH+](CCCC)CCCC	CCCCN(CCCC)CCCC	mol2047	CCCCN(CCCC)CCCC
8.61	Organic Oxygen Acids and Nitrogen Bases	1	0	COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1[NH+]2C	COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1N2C	mol21816	COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C
9.4	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)CCC=C1c2ccccc2CCc2ccccc21	CN(C)CCC=C1c2ccccc2CCc2ccccc21	mol95	CN(C)CCC=C1c2ccccc2CCc2ccccc21
9.4	Organic Oxygen Acids and Nitrogen Bases	1	0	CN(C)CCC[NH+]1c2ccccc2CCc2ccccc21,C[NH+](C)CCCN1c2ccccc2CCc2ccccc21	CN(C)CCCN1c2ccccc2CCc2ccccc21	mol97	CN(C)CCCN1c2ccccc2CCc2ccccc21
9.32	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+](CC)CCNC(=O)c1ccc(N)cc1,CCN(CC)CCNC(=O)c1ccc([NH3+])cc1	CCN(CC)CCNC(=O)c1ccc(N)cc1	mol127	CCN(CC)CCNC(=O)c1ccc(N)cc1
7.75	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	CN1[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	mol21817	CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
9.43	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	mol21818	CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
6.43	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](CCCl)CCCl	CN(CCCl)CCCl	mol2363	CN(CCCl)CCCl
8.92	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc(CC[NH+](C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC	COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC	mol86	COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
8.66	Organic Oxygen Acids and Nitrogen Bases	1	0	O=C(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1	O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1	mol74	O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
10.1	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12,CCN(CC)CCC[C@H](C)[NH2+]c1ccnc2cc(Cl)ccc12,CCN(CC)CCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12	mol4382	CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
8.59	Organic Oxygen Acids and Nitrogen Bases	1	0	CCOC(=O)C1(c2ccccc2)CC[NH+](C)CC1	CCOC(=O)C1(c2ccccc2)CCN(C)CC1	mol128	CCOC(=O)C1(c2ccccc2)CCN(C)CC1
8.05	Organic Oxygen Acids and Nitrogen Bases	1	0	CCN(CC)CCOC(=O)c1ccc([NH3+])cc1,CC[NH+](CC)CCOC(=O)c1ccc(N)cc1	CCN(CC)CCOC(=O)c1ccc(N)cc1	mol83	CCN(CC)CCOC(=O)c1ccc(N)cc1
8.68	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)CCc1c[nH]c2ccccc12	CN(C)CCc1c[nH]c2ccccc12	mol21819	CN(C)CCc1c[nH]c2ccccc12
8.29	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(C2([NH+]3CCCCC3)CCCCC2)cc1	c1ccc(C2(N3CCCCC3)CCCCC2)cc1	mol17632	c1ccc(C2(N3CCCCC3)CCCCC2)cc1
8.46	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC(=O)O[C@@]1(c2ccccc2)CC[NH+](C)C[C@@H]1C	CCC(=O)O[C@@]1(c2ccccc2)CCN(C)C[C@@H]1C	mol21820	CCC(=O)OC1(c2ccccc2)CCN(C)CC1C
8.85	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2[nH+]1,CCCCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2n1	CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1	mol4373	CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
9.87	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+](CC)CCO	CCN(CC)CCO	mol1822	CCN(CC)CCO
10.95	Organic Oxygen Acids and Nitrogen Bases	1	0	C1C[NH+]2CCC1CC2	C1CN2CCC1CC2	mol1404	C1CN2CCC1CC2
7.762	Organic Oxygen Acids and Nitrogen Bases	1	0	OCC[NH+](CCO)CCO	OCCN(CCO)CCO	mol869	OCCN(CCO)CCO
8.52	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](CCO)CCO	CN(CCO)CCO	mol871	CN(CCO)CCO
9.31	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)CCO	CN(C)CCO	mol191	CN(C)CCO
9.1	Organic Oxygen Acids and Nitrogen Bases	1	0	CN(C)CC[NH+](C)C	CN(C)CCN(C)C	mol862	CN(C)CCN(C)C
8.06	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H](O)C[NH+](C[C@H](C)O)C[C@H](C)O	C[C@H](O)CN(C[C@H](C)O)C[C@H](C)O	mol3191	CC(O)CN(CC(C)O)CC(C)O
8.01	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+](CC)CC(=O)Nc1c(C)cccc1C	CCN(CC)CC(=O)Nc1c(C)cccc1C	mol61	CCN(CC)CC(=O)Nc1c(C)cccc1C
8.78	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc(OC)c1OC	COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC	mol21821	COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC
8.82	Organic Oxygen Acids and Nitrogen Bases	1	0	C1C[NH+]2CCN1CC2	C1CN2CCN1CC2	mol4683	C1CN2CCN1CC2
9.27	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CCN(CC)CCNC(=O)c1cc(Cl)c([NH3+])cc1OC	CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC	mol410	CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
4.64	Organic Oxygen Acids and Nitrogen Bases	1	0	ClCC[NH+](CCCl)CCCl	ClCCN(CCCl)CCCl	mol864	ClCCN(CCCl)CCCl
7.86	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[NH+]1CC1	CCCCN1CC1	mol2114	CCCCN1CC1
7.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=S(=O)([O-])CCC[NH+]1CCOCC1,O=S(=O)(O)CCCN1CCOCC1	O=S(=O)([O-])CCCN1CCOCC1	mol13918	O=S(=O)(O)CCCN1CCOCC1
9.2	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@@H]([C@H](O)c1ccccc1)[NH+](C)C	C[C@@H]([C@H](O)c1ccccc1)N(C)C	mol3458	CC(C(O)c1ccccc1)N(C)C
8.08	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@@H]1C[NH+](C2CCCCCCCCCCC2)C[C@@H](C)O1	C[C@@H]1CN(C2CCCCCCCCCCC2)C[C@@H](C)O1	mol21822	CC1CN(C2CCCCCCCCCCC2)CC(C)O1
10.2	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)C(C)(C)CO	CN(C)C(C)(C)CO	mol21823	CN(C)C(C)(C)CO
5.2	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)O	CN(C)O	mol3078	CN(C)O
9.12	Organic Oxygen Acids and Nitrogen Bases	1	0	CCO[P@@](C)(=O)SCC[NH+](C(C)C)C(C)C	CCO[P@@](C)(=O)SCCN(C(C)C)C(C)C	mol21824	CCOP(C)(=O)SCCN(C(C)C)C(C)C
8.27	Organic Oxygen Acids and Nitrogen Bases	1	0	CC1(C)CCC(c2ccccc2)([NH+]2CCCCC2)CC1	CC1(C)CCC(c2ccccc2)(N2CCCCC2)CC1	mol21825	CC1(C)CCC(c2ccccc2)(N2CCCCC2)CC1
6.78	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1CCN(C(=O)c2ccccc2)CC1	CN1CCN(C(=O)c2ccccc2)CC1	mol1332	CN1CCN(C(=O)c2ccccc2)CC1
6.9	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC[NH+](CC)C[C@H]1CO[C@]2(CC[C@H](C(C)(C)C)CC2)O1	CCCN(CC)C[C@H]1CO[C@]2(CC[C@H](C(C)(C)C)CC2)O1	mol21826	CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1
7.26	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1CCO[C@@](O)(c2ccccc2)C1	CN1CCO[C@@](O)(c2ccccc2)C1	mol21827	CN1CCOC(O)(c2ccccc2)C1
7.41	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@@H]1C[NH+](C)C[C@@](O)(c2ccccc2)O1	C[C@@H]1CN(C)C[C@@](O)(c2ccccc2)O1	mol21828	CC1CN(C)CC(O)(c2ccccc2)O1
7.07	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1CCO[C@](O)(c2ccc(Br)cc2)C1	CN1CCO[C@](O)(c2ccc(Br)cc2)C1	mol21829	CN1CCOC(O)(c2ccc(Br)cc2)C1
7.88	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]1[NH+](C)CCO[C@@]1(O)c1ccccc1	C[C@H]1N(C)CCO[C@@]1(O)c1ccccc1	mol21830	CC1N(C)CCOC1(O)c1ccccc1
7.68	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]1[C@H](c2ccccc2)O[C@](O)(c2ccccc2)C[NH+]1C	C[C@H]1[C@H](c2ccccc2)O[C@](O)(c2ccccc2)CN1C	mol21831	CC1C(c2ccccc2)OC(O)(c2ccccc2)CN1C
6.02	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1CCO[C@@H](O)[C@@H]1c1ccccc1	CN1CCO[C@@H](O)[C@@H]1c1ccccc1	mol21832	CN1CCOC(O)C1c1ccccc1
7.54	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1CCO[C@@](O)(c2cccc(C(F)(F)F)c2)C1	CN1CCO[C@@](O)(c2cccc(C(F)(F)F)c2)C1	mol21833	CN1CCOC(O)(c2cccc(C(F)(F)F)c2)C1
7.12	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCO[C@]1(c2ccccc2)C[NH+](C)CCO1	CCCO[C@]1(c2ccccc2)CN(C)CCO1	mol21834	CCCOC1(c2ccccc2)CN(C)CCO1
7.09	Organic Oxygen Acids and Nitrogen Bases	1	0	C=CCO[C@]1(c2ccccc2)C[NH+](C)CCO1	C=CCO[C@]1(c2ccccc2)CN(C)CCO1	mol21835	C=CCOC1(c2ccccc2)CN(C)CCO1
7.79	Organic Oxygen Acids and Nitrogen Bases	1	0	CCO[C@]1(c2ccccc2)OCC[NH+](C)[C@H]1C	CCO[C@]1(c2ccccc2)OCCN(C)[C@H]1C	mol21836	CCOC1(c2ccccc2)OCCN(C)C1C
7.73	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCO[C@@]1(c2ccccc2)C[NH+](C)CCO1	CCCCO[C@@]1(c2ccccc2)CN(C)CCO1	mol21837	CCCCOC1(c2ccccc2)CN(C)CCO1
7.14	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)CO[C@]1(c2ccccc2)C[NH+](C)CCO1	CC(C)CO[C@]1(c2ccccc2)CN(C)CCO1	mol21838	CC(C)COC1(c2ccccc2)CN(C)CCO1
9.7	Organic Oxygen Acids and Nitrogen Bases	1	0	C=CC[NH+]1CCCCC1	C=CCN1CCCCC1	mol1235	C=CCN1CCCCC1
10.7	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)C1CCCCC1	CN(C)C1CCCCC1	mol2390	CN(C)C1CCCCC1
9.99	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC[NH+](C)C	CCCN(C)C	mol188	CCCN(C)C
10.3	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)[NH+](C)C	CC(C)N(C)C	mol892	CC(C)N(C)C
9.91	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)C[NH+](C)C	CC(C)CN(C)C	mol2367	CC(C)CN(C)C
3.59	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=O)c1cc[nH+]cc1	CC(=O)c1ccncc1	mol6352	CC(=O)c1ccncc1
2.91	Organic Oxygen Acids and Nitrogen Bases	1	0	Brc1ccc[nH+]c1	Brc1cccnc1	mol3633	Brc1cccnc1
3.35	Organic Oxygen Acids and Nitrogen Bases	1	0	CCOC(=O)c1ccc[nH+]c1	CCOC(=O)c1cccnc1	mol3698	CCOC(=O)c1cccnc1
3.45	Organic Oxygen Acids and Nitrogen Bases	1	0	CCOC(=O)c1cc[nH+]cc1	CCOC(=O)c1ccncc1	mol3699	CCOC(=O)c1ccncc1
3.78	Organic Oxygen Acids and Nitrogen Bases	1	0	Brc1cc[nH+]cc1	Brc1ccncc1	mol3634	Brc1ccncc1
3.8	Organic Oxygen Acids and Nitrogen Bases	1	0	O=Cc1ccc[nH+]c1	O=Cc1cccnc1	mol3710	O=Cc1cccnc1
3.84	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1cc[nH+]cc1	Clc1ccncc1	mol3652	Clc1ccncc1
4.77	Organic Oxygen Acids and Nitrogen Bases	1	0	O=Cc1cc[nH+]cc1	O=Cc1ccncc1	mol3711	O=Cc1ccncc1
4.82	Organic Oxygen Acids and Nitrogen Bases	1	0	c1cc(-c2cc[nH+]cc2)ccn1	c1cc(-c2ccncc2)ccn1	mol3787	c1cc(-c2ccncc2)ccn1
3.13	Organic Oxygen Acids and Nitrogen Bases	1	0	COC(=O)c1ccc[nH+]c1	COC(=O)c1cccnc1	mol3741	COC(=O)c1cccnc1
3.26	Organic Oxygen Acids and Nitrogen Bases	1	0	COC(=O)c1cc[nH+]cc1	COC(=O)c1ccncc1	mol3742	COC(=O)c1ccncc1
0.67	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1c[nH+]cc(Cl)c1	Clc1cncc(Cl)c1	mol6429	Clc1cncc(Cl)c1
2.84	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1ccc[nH+]c1	Clc1cccnc1	mol3651	Clc1cccnc1
2.97	Organic Oxygen Acids and Nitrogen Bases	1	0	Fc1ccc[nH+]c1	Fc1cccnc1	mol3708	Fc1cccnc1
3.18	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=O)c1ccc[nH+]c1	CC(=O)c1cccnc1	mol3600	CC(=O)c1cccnc1
3.25	Organic Oxygen Acids and Nitrogen Bases	1	0	Ic1ccc[nH+]c1	Ic1cccnc1	mol3723	Ic1cccnc1
4.9	Organic Oxygen Acids and Nitrogen Bases	1	0	OCc1ccc[nH+]c1	OCc1cccnc1	mol6503	OCc1cccnc1
5.33	Organic Oxygen Acids and Nitrogen Bases	1	0	OCc1cc[nH+]cc1	OCc1ccncc1	mol6504	OCc1ccncc1
5.47	Organic Oxygen Acids and Nitrogen Bases	1	0	OCCCc1ccc[nH+]c1	OCCCc1cccnc1	mol6507	OCCCc1cccnc1
5.56	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1ccc[nH+]c1	CCc1cccnc1	mol3701	CCc1cccnc1
5.59	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(Cc2cc[nH+]cc2)cc1	c1ccc(Cc2ccncc2)cc1	mol6385	c1ccc(Cc2ccncc2)cc1
5.6	Organic Oxygen Acids and Nitrogen Bases	1	0	OCCc1cc[nH+]cc1	OCCc1ccncc1	mol6497	OCCc1ccncc1
5.62	Organic Oxygen Acids and Nitrogen Bases	1	0	C=Cc1cc[nH+]cc1	C=Cc1ccncc1	mol3795	C=Cc1ccncc1
5.63	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc[nH+]c1	Cc1cccnc1	mol3746	Cc1cccnc1
5.84	Organic Oxygen Acids and Nitrogen Bases	1	0	OCCCc1cc[nH+]cc1	OCCCc1ccncc1	mol6508	OCCCc1ccncc1
5.87	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1cc[nH+]cc1	CCc1ccncc1	mol3702	CCc1ccncc1
5.98	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc[nH+]cc1	Cc1ccncc1	mol3747	Cc1ccncc1
5.99	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)(C)c1cc[nH+]cc1	CC(C)(C)c1ccncc1	mol3642	CC(C)(C)c1ccncc1
6.05	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCc1cc[nH+]cc1	CCCc1ccncc1	mol6542	CCCc1ccncc1
6.15	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1c[nH+]cc(C)c1	Cc1cncc(C)c1	mol3682	Cc1cncc(C)c1
6.46	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc[nH+]cc1C	Cc1ccncc1C	mol3681	Cc1ccncc1C
6.47	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
1.9	Organic Oxygen Acids and Nitrogen Bases	1	0	N#Cc1cc[nH+]cc1	N#Cc1ccncc1	mol3659	N#Cc1ccncc1
3.5	Organic Oxygen Acids and Nitrogen Bases	1	0	CCN(CC)C(=O)c1ccc[nH+]c1	CCN(CC)C(=O)c1cccnc1	mol2594	CCN(CC)C(=O)c1cccnc1
3.82	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C([O-])C=CC(=O)c1ccc[nH+]c1,O=C(O)C=CC(=O)c1cccnc1	O=C([O-])C=CC(=O)c1cccnc1	mol21839	O=C(O)C=CC(=O)c1cccnc1
4.8	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(-c2ccc[nH+]c2)cc1	c1ccc(-c2cccnc2)cc1	mol3772	c1ccc(-c2cccnc2)cc1
5.23	Organic Oxygen Acids and Nitrogen Bases	1	0	c1cc[nH+]cc1	c1ccncc1	mol3597	c1ccncc1
5.55	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(-c2cc[nH+]cc2)cc1	c1ccc(-c2ccncc2)cc1	mol3773	c1ccc(-c2ccncc2)cc1
5.96	Organic Oxygen Acids and Nitrogen Bases	2	1	[NH3+]Cc1ccc[nH+]c1	[NH3+]Cc1cccnc1,NCc1ccc[nH+]c1	mol3615	NCc1cccnc1
1.18	Organic Oxygen Acids and Nitrogen Bases	1	0	O=[N+]([O-])c1ccc[nH+]c1	O=[N+]([O-])c1cccnc1	mol3763	O=[N+]([O-])c1cccnc1
4.8	Organic Oxygen Acids and Nitrogen Bases	1	0	Oc1ccc[nH+]c1	[O-]c1ccc[nH+]c1,Oc1cccnc1	mol2249	Oc1cccnc1
4.91	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
3.35	Organic Oxygen Acids and Nitrogen Bases	1	0	NC(=O)c1ccc[nH+]c1	NC(=O)c1cccnc1	mol3644	NC(=O)c1cccnc1
1.39	Organic Oxygen Acids and Nitrogen Bases	1	0	N#Cc1ccc[nH+]c1	N#Cc1cccnc1	mol3658	N#Cc1cccnc1
9.17	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccncc1,Nc1cc[nH+]cc1	Nc1ccncc1	mol3604	Nc1ccncc1
4.73	Organic Oxygen Acids and Nitrogen Bases	1	0	ON=Cc1cc[nH+]cc1,O[NH+]=Cc1ccncc1	ON=Cc1ccncc1,[O-]N=Cc1cc[nH+]cc1	mol3815	ON=Cc1ccncc1
10.14	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+](C)c1ccncc1,CN(C)c1cc[nH+]cc1	CN(C)c1ccncc1	mol3683	CN(C)c1ccncc1
4.39	Organic Oxygen Acids and Nitrogen Bases	2	1	[NH3+]Cc1cc[nH+]cc1	[NH3+]Cc1ccncc1,NCc1cc[nH+]cc1	mol12375	NCc1ccncc1
4.36	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=O)Nc1ccc[nH+]c1	CC(=O)Nc1cccnc1	mol3598	CC(=O)Nc1cccnc1
7.05	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1cc[nH+]cc1Br,[NH3+]c1ccncc1Br	Nc1ccncc1Br	mol3605	Nc1ccncc1Br
4.61	Organic Oxygen Acids and Nitrogen Bases	1	0	CON=C(Cc1ccc[nH+]c1)c1ccc(Cl)cc1Cl,CO[NH+]=C(Cc1cccnc1)c1ccc(Cl)cc1Cl	CON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl	mol21840	CON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl
6.0	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccnc1,Nc1ccc[nH+]c1	Nc1cccnc1	mol3603	Nc1cccnc1
6.51	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1ccc(C)[nH+]c1	CCc1ccc(C)nc1	mol3705	CCc1ccc(C)nc1
7.9	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C)c(C)[nH+]c1C	Cc1cc(C)c(C)nc1C	mol3791	Cc1cc(C)c(C)nc1C
-0.44	Organic Oxygen Acids and Nitrogen Bases	1	0	Fc1cccc[nH+]1	Fc1ccccn1	mol3707	Fc1ccccn1
0.49	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1cccc[nH+]1	Clc1ccccn1	mol3650	Clc1ccccn1
0.9	Organic Oxygen Acids and Nitrogen Bases	1	0	Brc1cccc[nH+]1	Brc1ccccn1	mol3632	Brc1ccccn1
4.98	Organic Oxygen Acids and Nitrogen Bases	1	0	C=Cc1cccc[nH+]1	C=Cc1ccccn1	mol3794	C=Cc1ccccn1
5.13	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(Cc2cccc[nH+]2)cc1	c1ccc(Cc2ccccn2)cc1	mol3626	c1ccc(Cc2ccccn2)cc1
5.31	Organic Oxygen Acids and Nitrogen Bases	1	0	OCCc1cccc[nH+]1	OCCc1ccccn1	mol6496	OCCc1ccccn1
5.61	Organic Oxygen Acids and Nitrogen Bases	1	0	OCCCc1cccc[nH+]1	OCCCc1ccccn1	mol6506	OCCCc1ccccn1
5.67	Organic Oxygen Acids and Nitrogen Bases	1	0	C=Cc1ccc(C)[nH+]c1	C=Cc1ccc(C)nc1	mol3762	C=Cc1ccc(C)nc1
5.76	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)(C)c1cccc[nH+]1	CC(C)(C)c1ccccn1	mol3640	CC(C)(C)c1ccccn1
5.89	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1cccc[nH+]1	CCc1ccccn1	mol3700	CCc1ccccn1
6.4	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc(C)[nH+]c1	Cc1ccc(C)nc1	mol3679	Cc1ccc(C)nc1
6.57	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc[nH+]c1C	Cc1cccnc1C	mol3677	Cc1cccnc1C
6.6	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cccc(C)[nH+]1	Cc1cccc(C)n1	mol3680	Cc1cccc(C)n1
6.99	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc[nH+]c(C)c1	Cc1ccnc(C)c1	mol3678	Cc1ccnc(C)c1
7.43	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C)[nH+]c(C)c1	Cc1cc(C)nc(C)c1	mol3793	Cc1cc(C)nc(C)c1
-2.86	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1cccc(Cl)[nH+]1	Clc1cccc(Cl)n1	mol6428	Clc1cccc(Cl)n1
-1.0	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1[nH+]c(Cl)c(Cl)c(Cl)c1Cl	Clc1nc(Cl)c(Cl)c(Cl)c1Cl	mol6535	Clc1nc(Cl)c(Cl)c(Cl)c1Cl
-0.85	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1ccc[nH+]c1Cl	Clc1cccnc1Cl	mol6427	Clc1cccnc1Cl
-0.8	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1cc(Cl)c(Cl)[nH+]c1Cl	Clc1cc(Cl)c(Cl)nc1Cl	mol6560	Clc1cc(Cl)c(Cl)nc1Cl
4.48	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(-c2cccc[nH+]2)cc1	c1ccc(-c2ccccn2)cc1	mol3771	c1ccc(-c2ccccn2)cc1
6.0	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cccc[nH+]1	Cc1ccccn1	mol3745	Cc1ccccn1
4.33	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(-c2cccc[nH+]2)nc1	c1ccc(-c2ccccn2)nc1	mol3782	c1ccc(-c2ccccn2)nc1
4.86	Organic Oxygen Acids and Nitrogen Bases	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1
7.22	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc([NH3+])nc1,Cc1ccc(N)[nH+]c1	Cc1ccc(N)nc1	mol1744	Cc1ccc(N)nc1
3.59	Organic Oxygen Acids and Nitrogen Bases	1	0	CSc1cccc[nH+]1	CSc1ccccn1	mol3759	CSc1ccccn1
3.06	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1cccc[nH+]1	COc1ccccn1	mol3736	COc1ccccn1
1.6	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1cccc(OC)[nH+]1	COc1cccc(OC)n1	mol6471	COc1cccc(OC)n1
2.73	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=O)c1cccc[nH+]1	CC(=O)c1ccccn1	mol6351	CC(=O)c1ccccn1
3.8	Organic Oxygen Acids and Nitrogen Bases	1	0	O=Cc1cccc[nH+]1	O=Cc1ccccn1	mol3709	O=Cc1ccccn1
2.21	Organic Oxygen Acids and Nitrogen Bases	1	0	COC(=O)c1cccc[nH+]1	COC(=O)c1ccccn1	mol3739	COC(=O)c1ccccn1
-0.26	Organic Oxygen Acids and Nitrogen Bases	1	0	N#Cc1cccc[nH+]1	N#Cc1ccccn1	mol3657	N#Cc1ccccn1
6.86	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1cccc[nH+]1,[NH3+]c1ccccn1	Nc1ccccn1	mol1259	Nc1ccccn1
5.02	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)(C)c1cccc(C(C)(C)C)[nH+]1	CC(C)(C)c1cccc(C(C)(C)C)n1	mol6414	CC(C)(C)c1cccc(C(C)(C)C)n1
3.59	Organic Oxygen Acids and Nitrogen Bases	1	0	O[NH+]=Cc1ccccn1,ON=Cc1cccc[nH+]1	ON=Cc1ccccn1,[O-]N=Cc1cccc[nH+]1	mol3811	ON=Cc1ccccn1
2.78	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1ccc([N+](=O)[O-])c[nH+]1,[NH3+]c1ccc([N+](=O)[O-])cn1	Nc1ccc([N+](=O)[O-])cn1	mol2520	Nc1ccc([N+](=O)[O-])cn1
0.7	Organic Oxygen Acids and Nitrogen Bases	2	1	CC(=[NH+]C#N)N(C)Cc1ccc(Cl)[nH+]c1	CC(=NC#N)N(C)Cc1ccc(Cl)[nH+]c1,CC(=[NH+]C#N)N(C)Cc1ccc(Cl)nc1	mol21841	CC(=NC#N)N(C)Cc1ccc(Cl)nc1
-1.63	Organic Oxygen Acids and Nitrogen Bases	1	0	Brc1nccc[nH+]1	Brc1ncccn1	mol7145	Brc1ncccn1
-0.68	Organic Oxygen Acids and Nitrogen Bases	1	0	COC(=O)c1nccc[nH+]1	COC(=O)c1ncccn1	mol4209	COC(=O)c1ncccn1
0.59	Organic Oxygen Acids and Nitrogen Bases	1	0	CSc1nccc[nH+]1	CSc1ncccn1	mol4219	CSc1ncccn1
0.72	Organic Oxygen Acids and Nitrogen Bases	1	0	O=[N+]([O-])c1cnc[nH+]c1	O=[N+]([O-])c1cncnc1	mol7510	O=[N+]([O-])c1cncnc1
1.23	Organic Oxygen Acids and Nitrogen Bases	1	0	c1cnc[nH+]c1	c1cncnc1	mol4053	c1cncnc1
1.27	Organic Oxygen Acids and Nitrogen Bases	1	0	CCOc1nccc[nH+]1	CCOc1ncccn1	mol7433	CCOc1ncccn1
1.91	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cnc[nH+]c1	Cc1cncnc1	mol21842	Cc1cncnc1
2.12	Organic Oxygen Acids and Nitrogen Bases	1	0	CSc1nc(C)cc(C)[nH+]1	CSc1nc(C)cc(C)n1	mol7424	CSc1nc(C)cc(C)n1
2.7	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C)[nH+]cn1	Cc1cc(C)ncn1	mol4174	Cc1cc(C)ncn1
3.45	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1nccc[nH+]1,[NH3+]c1ncccn1	Nc1ncccn1	mol1336	Nc1ncccn1
3.52	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C)[nH+]c(Nc2ccccc2)n1,Cc1cc(C)nc([NH2+]c2ccccc2)n1	Cc1cc(C)nc(Nc2ccccc2)n1	mol21843	Cc1cc(C)nc(Nc2ccccc2)n1
4.82	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C)[nH+]c(N)n1,Cc1cc(C)nc([NH3+])n1	Cc1cc(C)nc(N)n1	mol1850	Cc1cc(C)nc(N)n1
6.81	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1cc(N)[nH+]c(N)n1,Nc1cc([NH3+])nc(N)n1,Nc1cc(N)nc([NH3+])n1	Nc1cc(N)nc(N)n1	mol4228	Nc1cc(N)nc(N)n1
7.34	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)cc1,CCc1nc([NH3+])nc(N)c1-c1ccc(Cl)cc1,CCc1nc(N)[nH+]c(N)c1-c1ccc(Cl)cc1,CCc1nc(N)nc([NH3+])c1-c1ccc(Cl)cc1	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	mol7266	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
2.5	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccnc[nH+]1,COc1cc[nH+]cn1	COc1ccncn1	mol4208	COc1ccncn1
4.44	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C2CC2)nc(Nc2ccccc2)[nH+]1,Cc1cc(C2CC2)nc([NH2+]c2ccccc2)n1,Cc1cc(C2CC2)[nH+]c(Nc2ccccc2)n1	Cc1cc(C2CC2)nc(Nc2ccccc2)n1	mol21844	Cc1cc(C2CC2)nc(Nc2ccccc2)n1
-0.53	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1c[nH+]c([N+](=O)[O-])c1	Cn1cnc([N+](=O)[O-])c1	mol3916	Cn1cnc([N+](=O)[O-])c1
-0.05	Organic Oxygen Acids and Nitrogen Bases	1	0	O=[N+]([O-])c1c[nH]c[nH+]1	O=[N+]([O-])c1c[nH]cn1	mol3919	O=[N+]([O-])c1c[nH]cn1
2.13	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1c[nH+]cc1[N+](=O)[O-]	Cn1cncc1[N+](=O)[O-]	mol3917	Cn1cncc1[N+](=O)[O-]
3.6	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(=O)n1cc[nH+]c1	CC(=O)n1ccnc1	mol3902	CC(=O)n1ccnc1
3.7	Organic Oxygen Acids and Nitrogen Bases	2	1	CCCOCC(=[NH+]c1ccc(Cl)cc1C(F)(F)F)n1cc[nH+]c1	CCCOCC(=[NH+]c1ccc(Cl)cc1C(F)(F)F)n1ccnc1,CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1cc[nH+]c1	mol21845	CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1
6.48	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(-c2[nH]cc[nH+]2)cc1	c1ccc(-c2ncc[nH]2)cc1	mol3920	c1ccc(-c2ncc[nH]2)cc1
6.95	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1cc[nH+]c1	Cn1ccnc1	mol3914	Cn1ccnc1
6.95	Organic Oxygen Acids and Nitrogen Bases	1	0	c1c[nH+]c[nH]1	c1c[nH]cn1	mol3900	c1c[nH]cn1
7.85	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1[nH]cc[nH+]1	Cc1ncc[nH]1	mol1976	Cc1ncc[nH]1
7.04	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1c[nH+]cc1C[C@H](NC(=O)CCN)C(=O)O,Cn1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)O,Cn1c[nH+]cc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-]	Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O,Cn1c[nH+]cc1C[C@H](NC(=O)CCN)C(=O)[O-],Cn1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-]	mol15236	Cn1cncc1CC(NC(=O)CCN)C(=O)O
3.8	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1cc[nH+]c1	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1	mol21846	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
5.2	Organic Oxygen Acids and Nitrogen Bases	1	0	OC[C@@H]1O[C@H](n2cnc3c2[NH+]=CNC[C@@H]3O)C[C@H]1O,OC[C@@H]1O[C@H](n2c[nH+]c3c2N=CNC[C@@H]3O)C[C@H]1O	OC[C@@H]1O[C@H](n2cnc3c2N=CNC[C@@H]3O)C[C@H]1O	mol21847	OCC1OC(n2cnc3c2N=CNCC3O)CC1O
6.7	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(Cn2cc[nH+]c2)cc1	c1ccc(Cn2ccnc2)cc1	mol6642	c1ccc(Cn2ccnc2)cc1
6.78	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[C@@H]1C(=O)OC[C@H]1Cc1c[nH+]cn1C	CC[C@@H]1C(=O)OC[C@H]1Cc1cncn1C	mol21848	CCC1C(=O)OCC1Cc1cncn1C
6.8	Organic Oxygen Acids and Nitrogen Bases	1	0	CN/C(=N/CCSCc1[nH+]c[nH]c1C)NC#N,CN/C(NC#N)=[NH+]/CCSCc1nc[nH]c1C	CN/C(=N/CCSCc1nc[nH]c1C)NC#N	mol587	CN/C(=N/CCSCc1nc[nH]c1C)NC#N
6.53	Organic Oxygen Acids and Nitrogen Bases	1	0	C=CCO[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl	C=CCO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl	mol21849	C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
5.53	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc2[nH+]c[nH]c2c1	c1ccc2[nH]cnc2c1	mol4482	c1ccc2[nH]cnc2c1
4.26	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc(Cc2[nH]c3ccc([N+](=O)[O-])cc3[nH+]2)cc1	COc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1	mol21850	COc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1
4.86	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1ccc(Cc2[nH]c3ccc(Cl)cc3[nH+]2)cc1	Clc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1	mol21851	Clc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1
4.87	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccccc1-c1[nH]c2ccc([N+](=O)[O-])cc2[nH+]1	Cc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1	mol21852	Cc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1
5.29	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc(-c2[nH]c3ccc([N+](=O)[O-])cc3[nH+]2)c(C)c1	Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1	mol21853	Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1
5.42	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1ccc2[nH]c(Cc3ccc(Br)cc3)[nH+]c2c1	Clc1ccc2[nH]c(Cc3ccc(Br)cc3)nc2c1	mol21854	Clc1ccc2[nH]c(Cc3ccc(Br)cc3)nc2c1
6.9	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc(-c2[nH]c3ccccc3[nH+]2)cc1	Cc1ccc(-c2nc3ccccc3[nH]2)cc1	mol21855	Cc1ccc(-c2nc3ccccc3[nH]2)cc1
7.09	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc(Cc2[nH]c3ccc(Cl)cc3[nH+]2)cc1	Cc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1	mol21856	Cc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1
7.17	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccccc1-c1[nH]c2ccccc2[nH+]1	COc1ccccc1-c1nc2ccccc2[nH]1	mol21857	COc1ccccc1-c1nc2ccccc2[nH]1
7.47	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1,Nc1ccc(Cc2[nH]c3ccc(Cl)cc3[nH+]2)cc1	Nc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1	mol21858	Nc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1
10.3	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(CC2=[NH+]CCN2)cc1	c1ccc(CC2=NCCN2)cc1	mol2310	c1ccc(CC2=NCCN2)cc1
7.25	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc(-c2[nH]c3ccc(C)cc3[nH+]2)c(OC)c1	COc1ccc(-c2nc3cc(C)ccc3[nH]2)c(OC)c1	mol21859	COc1ccc(-c2nc3cc(C)ccc3[nH]2)c(OC)c1
3.82	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1cc[nH+]c1Br	Cn1ccnc1Br	mol6647	Cn1ccnc1Br
2.3	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1cc[nH+]c1F	Cn1ccnc1F	mol19919	Cn1ccnc1F
8.54	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1cc[nH+]c1N,Cn1ccnc1[NH3+]	Cn1ccnc1N	mol6638	Cn1ccnc1N
-0.48	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1cc[nH+]c1[N+](=O)[O-]	Cn1ccnc1[N+](=O)[O-]	mol6687	Cn1ccnc1[N+](=O)[O-]
3.79	Organic Oxygen Acids and Nitrogen Bases	1	0	Brc1[nH]cc[nH+]1	Brc1ncc[nH]1	mol6645	Brc1ncc[nH]1
3.55	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1[nH]cc[nH+]1	Clc1ncc[nH]1	mol19922	Clc1ncc[nH]1
7.73	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1[nH]cc[nH+]1	CCc1ncc[nH]1	mol2296	CCc1ncc[nH]1
2.4	Organic Oxygen Acids and Nitrogen Bases	1	0	Fc1[nH]cc[nH+]1	Fc1ncc[nH]1	mol19921	Fc1ncc[nH]1
8.46	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ncc[nH]1,Nc1[nH]cc[nH+]1	Nc1ncc[nH]1	mol6631	Nc1ncc[nH]1
-0.81	Organic Oxygen Acids and Nitrogen Bases	1	0	O=[N+]([O-])c1[nH]cc[nH+]1	O=[N+]([O-])c1ncc[nH]1	mol6695	O=[N+]([O-])c1ncc[nH]1
5.95	Organic Oxygen Acids and Nitrogen Bases	1	0	CSc1[nH]cc[nH+]1	CSc1ncc[nH]1	mol20656	CSc1ncc[nH]1
4.17	Organic Oxygen Acids and Nitrogen Bases	1	0	O=[N+]([O-])c1ccc2[nH]c[nH+]c2c1	O=[N+]([O-])c1ccc2[nH]cnc2c1	mol4535	O=[N+]([O-])c1ccc2[nH]cnc2c1
4.68	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1[nH]c2ccccc2[nH+]1	Clc1nc2ccccc2[nH]1	mol4498	Clc1nc2ccccc2[nH]1
5.57	Organic Oxygen Acids and Nitrogen Bases	1	0	Cn1c[nH+]c2ccccc21	Cn1cnc2ccccc21	mol4523	Cn1cnc2ccccc21
5.81	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc2[nH]c[nH+]c2c1	Cc1ccc2[nH]cnc2c1	mol4526	Cc1ccc2[nH]cnc2c1
5.89	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc2[nH]c[nH+]c2cc1C	Cc1cc2nc[nH]c2cc1C	mol4505	Cc1cc2nc[nH]c2cc1C
6.1	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1[nH]c2ccccc2[nH+]1	Cc1nc2ccccc2[nH]1	mol4524	Cc1nc2ccccc2[nH]1
6.11	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1ccc2[nH]c[nH+]c2c1,[NH3+]c1ccc2[nH]cnc2c1	Nc1ccc2[nH]cnc2c1	mol4484	Nc1ccc2[nH]cnc2c1
6.2	Organic Oxygen Acids and Nitrogen Bases	1	0	CCc1[nH]c2ccccc2[nH+]1	CCc1nc2ccccc2[nH]1	mol4511	CCc1nc2ccccc2[nH]1
6.23	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)c1[nH]c2ccccc2[nH+]1	CC(C)c1nc2ccccc2[nH]1	mol4521	CC(C)c1nc2ccccc2[nH]1
4.9	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc2[nH+]cccc2c1	c1ccc2ncccc2c1	mol4346	c1ccc2ncccc2c1
5.02	Organic Oxygen Acids and Nitrogen Bases	1	0	Oc1cccc2[nH+]cccc12	[O-]c1cccc2[nH+]cccc12,Oc1cccc2ncccc12	mol1392	Oc1cccc2ncccc12
5.03	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc2ccc[nH+]c2c1	COc1ccc2cccnc2c1	mol21860	COc1ccc2cccnc2c1
5.03	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc2[nH+]cccc2c1	COc1ccc2ncccc2c1	mol4444	COc1ccc2ncccc2c1
5.05	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cccc2ccc[nH+]c12	Cc1cccc2cccnc12	mol4455	Cc1cccc2cccnc12
5.17	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1c[nH+]c2ccccc2c1	Cc1cnc2ccccc2c1	mol4450	Cc1cnc2ccccc2c1
5.34	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc2[nH+]cccc2c1	Cc1ccc2ncccc2c1	mol4453	Cc1ccc2ncccc2c1
5.34	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc2ccc[nH+]c2c1	Cc1ccc2cccnc2c1	mol4454	Cc1ccc2cccnc2c1
5.15	Organic Oxygen Acids and Nitrogen Bases	1	0	Oc1ccc2[nH+]cccc2c1	[O-]c1ccc2[nH+]cccc2c1,Oc1ccc2ncccc2c1	mol1393	Oc1ccc2ncccc2c1
5.46	Organic Oxygen Acids and Nitrogen Bases	1	0	Oc1ccc2ccc[nH+]c2c1	[O-]c1ccc2ccc[nH+]c2c1,Oc1ccc2cccnc2c1	mol1394	Oc1ccc2cccnc2c1
5.67	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc[nH+]c2ccccc12	Cc1ccnc2ccccc12	mol4451	Cc1ccnc2ccccc12
5.71	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc2ccccc2[nH+]1	Cc1ccc2ccccc2n1	mol4449	Cc1ccc2ccccc2n1
2.69	Organic Oxygen Acids and Nitrogen Bases	1	0	Brc1c[nH+]c2ccccc2c1	Brc1cnc2ccccc2c1	mol4364	Brc1cnc2ccccc2c1
2.8	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1ccc2c(Cl)cc[nH+]c2c1	Clc1ccc2c(Cl)ccnc2c1	mol4396	Clc1ccc2c(Cl)ccnc2c1
3.12	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1cccc2ccc[nH+]c12	Clc1cccc2cccnc12	mol4381	Clc1cccc2cccnc12
3.34	Organic Oxygen Acids and Nitrogen Bases	1	0	Fc1cccc2ccc[nH+]c12	Fc1cccc2cccnc12	mol4420	Fc1cccc2cccnc12
3.85	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1ccc2[nH+]cccc2c1	Clc1ccc2ncccc2c1	mol4379	Clc1ccc2ncccc2c1
3.87	Organic Oxygen Acids and Nitrogen Bases	1	0	Brc1ccc2ccc[nH+]c2c1	Brc1ccc2cccnc2c1	mol4367	Brc1ccc2cccnc2c1
3.87	Organic Oxygen Acids and Nitrogen Bases	1	0	Brc1ccc2[nH+]cccc2c1	Brc1ccc2ncccc2c1	mol4366	Brc1ccc2ncccc2c1
6.1	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc2[nH+]c(C)ccc2c1	Cc1ccc2nc(C)ccc2c1	mol4413	Cc1ccc2nc(C)ccc2c1
5.12	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc(C)c2ccccc2[nH+]1	Cc1cc(C)c2ccccc2n1	mol4412	Cc1cc(C)c2ccccc2n1
4.28	Organic Oxygen Acids and Nitrogen Bases	1	0	Oc1c[nH+]c2ccccc2c1	Oc1cnc2ccccc2c1,[O-]c1c[nH+]c2ccccc2c1	mol2153	Oc1cnc2ccccc2c1
3.56	Organic Oxygen Acids and Nitrogen Bases	1	0	Oc1ccc(Cl)c2ccc[nH+]c12	Oc1ccc(Cl)c2cccnc12,[O-]c1ccc(Cl)c2ccc[nH+]c12	mol1832	Oc1ccc(Cl)c2cccnc12
5.01	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1cccc2ccc[nH+]c12	COc1cccc2cccnc12	mol4445	COc1cccc2cccnc12
5.55	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc2cccc(O)c2[nH+]1	Cc1ccc2cccc([O-])c2[nH+]1,Cc1ccc2cccc(O)c2n1	mol1879	Cc1ccc2cccc(O)c2n1
5.56	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc[nH+]c2c(O)cccc12	Cc1cc[nH+]c2c([O-])cccc12,Cc1ccnc2c(O)cccc12	mol1389	Cc1ccnc2c(O)cccc12
3.75	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCCC[C@H](C)OC(=O)COc1ccc(Cl)c2ccc[nH+]c12	CCCCC[C@H](C)OC(=O)COc1ccc(Cl)c2cccnc12	mol21861	CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
8.07	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc(Cc2[nH+]ccc3cc(OC)c(OC)cc23)cc1OC	COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC	mol2595	COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
4.21	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc2c(c1)ccc1[nH+]cccc12	c1ccc2c(c1)ccc1ncccc12	mol5021	c1ccc2c(c1)ccc1ncccc12
4.21	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc2c(c1)ccc1ccc[nH+]c12	c1ccc2c(c1)ccc1cccnc12	mol5027	c1ccc2c(c1)ccc1cccnc12
3.95	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cccc2cccnc12,Nc1cccc2ccc[nH+]c12	Nc1cccc2cccnc12	mol4352	Nc1cccc2cccnc12
9.13	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccnc2ccccc12,Nc1cc[nH+]c2ccccc12	Nc1ccnc2ccccc12	mol4348	Nc1ccnc2ccccc12
6.61	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc2ncccc2c1,Nc1ccc2[nH+]cccc2c1	Nc1ccc2ncccc2c1	mol4350	Nc1ccc2ncccc2c1
7.3	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccc2ccccc2n1,Nc1ccc2ccccc2[nH+]1	Nc1ccc2ccccc2n1	mol2151	Nc1ccc2ccccc2n1
5.67	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1ccc(O)c2[nH+]cccc12,[NH3+]c1ccc(O)c2ncccc12,[NH3+]c1ccc([O-])c2[nH+]cccc12	Nc1ccc(O)c2ncccc12,[NH3+]c1ccc([O-])c2ncccc12,Nc1ccc([O-])c2[nH+]cccc12	mol4358	Nc1ccc(O)c2ncccc12