pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Hunt	0	-1	CC(O)(C(F)(F)F)C(F)(F)F	CC([O-])(C(F)(F)F)C(F)(F)F	mol427	CC(O)(C(F)(F)F)C(F)(F)F
11.6	Hunt	0	-1	CC(C)(O)C(F)(F)F	CC(C)([O-])C(F)(F)F	mol428	CC(C)(O)C(F)(F)F
11.8	Hunt	0	-1	C[C@@H](O)C(F)(F)F	C[C@@H]([O-])C(F)(F)F	mol429	C[C@@H](O)C(F)(F)F
9.26	Hunt	0	-1	O=C(NCCS)NCCS	O=C(NCC[S-])NCCS	mol430	O=C(NCCS)NCCS
9.88	Hunt	0	-1	SCCCCS	[S-]CCCCS	mol431	SCCCCS
7.3	Hunt	0	-1	FC(F)(F)CS	FC(F)(F)C[S-]	mol432	FC(F)(F)CS
12.8	Hunt	0	-1	OCC(F)(F)F	[O-]CC(F)(F)F	mol433	OCC(F)(F)F
2.84	Hunt	0	-1	C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O	C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-]	mol434	C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
12.89	Hunt	0	-1	OCC(Cl)Cl	[O-]CC(Cl)Cl	mol435	OCC(Cl)Cl
6.35	Hunt	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
5.22	Hunt	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
5.14	Hunt	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
3.7	Hunt	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
10.7	Hunt	0	-1	Cc1cc(C)c(C)c(O)c1	Cc1cc(C)c(C)c([O-])c1	mol440	Cc1cc(C)c(C)c(O)c1
5.8	Hunt	0	-1	Oc1c(Cl)ccc(Cl)c1Cl	[O-]c1c(Cl)ccc(Cl)c1Cl	mol441	Oc1c(Cl)ccc(Cl)c1Cl
4.1	Hunt	0	-1	O=C(O)CCCOc1ccc(Cl)cc1Cl	O=C([O-])CCCOc1ccc(Cl)cc1Cl	mol442	O=C(O)CCCOc1ccc(Cl)cc1Cl
8.3	Hunt	1	0	[NH3+]CCS	NCCS,[NH3+]CC[S-]	mol443	NCCS
6.59	Hunt	0	-1	[NH3+]c1ccccc1[S-],Nc1ccccc1S	Nc1ccccc1[S-]	mol444	Nc1ccccc1S
14.31	Hunt	0	-1	OCCCl	[O-]CCCl	mol445	OCCCl
6.98	Hunt	0	-1	N#Cc1ccccc1O	N#Cc1ccccc1[O-]	mol446	N#Cc1ccccc1O
4.52	Hunt	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
9.38	Hunt	0	-1	CCOCCS	CCOCC[S-]	mol448	CCOCCS
0.7	Hunt	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
10.47	Hunt	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O
9.85	Hunt	0	-1	CC(C)(S)CO	CC(C)([S-])CO	mol451	CC(C)(S)CO
9.2	Hunt	-1	-2	O=S(=O)([O-])CCS,O=S(=O)(O)CC[S-]	O=S(=O)([O-])CC[S-]	mol452	O=S(=O)(O)CCS
5.3	Hunt	0	-1	O=c1[nH]cc(S)c(=O)[nH]1	O=c1[n-]cc(S)c(=O)[nH]1,O=c1[n-]c(=O)c(S)c[nH]1,O=c1[nH]cc([S-])c(=O)[nH]1	mol453	O=c1[nH]cc(S)c(=O)[nH]1
11.22	Hunt	0	-1	CCC(C)(C)S	CCC(C)(C)[S-]	mol454	CCC(C)(C)S
8.82	Hunt	0	-1	[S-]Cc1cccc[nH+]1,SCc1ccccn1	[S-]Cc1ccccn1	mol455	SCc1ccccn1
10.86	Hunt	0	-1	CC(C)S	CC(C)[S-]	mol456	CC(C)S
10.1	Hunt	0	-1	CC(C)c1cccc(O)c1	CC(C)c1cccc([O-])c1	mol457	CC(C)c1cccc(O)c1
8.1	Hunt	0	-1	CC[C@@](C)(S)[C@H](N)C(=O)O,CC[C@@](C)(S)[C@H]([NH3+])C(=O)[O-],CC[C@@](C)([S-])[C@H]([NH3+])C(=O)O	CC[C@@](C)([S-])[C@H](N)C(=O)O,CC[C@@](C)(S)[C@H](N)C(=O)[O-],CC[C@@](C)([S-])[C@H]([NH3+])C(=O)[O-]	mol458	CC[C@@](C)(S)[C@H](N)C(=O)O
9.46	Hunt	0	-1	OC[C@H](O)CS	OC[C@H](O)C[S-]	mol459	OC[C@H](O)CS
10.19	Hunt	0	-1	OCCCS	OCCC[S-]	mol460	OCCCS
10.27	Hunt	-1	-2	O=C([O-])CCS,O=C(O)CC[S-]	O=C([O-])CC[S-]	mol461	O=C(O)CCS
5.24	Hunt	0	-1	O=[N+]([O-])c1cccc(S)c1	O=[N+]([O-])c1cccc([S-])c1	mol462	O=[N+]([O-])c1cccc(S)c1
13.87	Hunt	0	-1	OCC#Cc1ccccc1	[O-]CC#Cc1ccccc1	mol463	OCC#Cc1ccccc1
6.2	Hunt	-1	-2	O=C([O-])c1cccc(S)c1,O=C(O)c1cccc([S-])c1	O=C([O-])c1cccc([S-])c1	mol464	O=C(O)c1cccc(S)c1
8.6	Hunt	0	-1	N#CCCS	N#CCC[S-]	mol465	N#CCCS
3.18	Hunt	0	-1	O=C(O)COc1ccc(Cl)cc1	O=C([O-])COc1ccc(Cl)cc1	mol466	O=C(O)COc1ccc(Cl)cc1
7.7	Hunt	0	-1	Sc1ccc(Cl)cc1	[S-]c1ccc(Cl)cc1	mol467	Sc1ccc(Cl)cc1
10.3	Hunt	0	-1	CCOc1ccc(O)cc1	CCOc1ccc([O-])cc1	mol468	CCOc1ccc(O)cc1
6.77	Hunt	0	-1	COc1ccc(S)cc1	COc1ccc([S-])cc1	mol469	COc1ccc(S)cc1
6.82	Hunt	0	-1	Cc1ccc(S)cc1	Cc1ccc([S-])cc1	mol470	Cc1ccc(S)cc1
7.59	Hunt	0	-1	CC[C@H](C)c1ccc(O)c([N+](=O)[O-])c1	CC[C@H](C)c1ccc([O-])c([N+](=O)[O-])c1	mol471	CC[C@H](C)c1ccc(O)c([N+](=O)[O-])c1
9.96	Hunt	0	-1	C=CCS	C=CC[S-]	mol472	C=CCS
3.6	Hunt	0	-1	COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1	COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1	mol473	COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1
3.04	Hunt	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
8.88	Hunt	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
15.44	Hunt	0	-1	OCc1ccccc1	[O-]Cc1ccccc1	mol476	OCc1ccccc1
9.43	Hunt	0	-1	SCc1ccccc1	[S-]Cc1ccccc1	mol477	SCc1ccccc1
4.7	Hunt	0	-1	C[C@H](O)CC(=O)O	C[C@H](O)CC(=O)[O-]	mol478	C[C@H](O)CC(=O)O
3.55	Hunt	0	-1	COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)O)n1,COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)[nH+]3)c2C(=O)[O-])n1	COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)[O-])n1	mol479	COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)O)n1
5.46	Hunt	0	-1	O=[N+]([O-])c1ccc(O/[NH+]=C/c2cc(Br)c([O-])c(Br)c2)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(O/N=C/c2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(O/N=C/c2cc(Br)c([O-])c(Br)c2)c([N+](=O)[O-])c1	mol480	O=[N+]([O-])c1ccc(O/N=C/c2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1
8.2	Hunt	0	-1	CCCC(=O)OO	CCCC(=O)O[O-]	mol481	CCCC(=O)OO
8.47	Hunt	0	-1	CCCCOC(=O)c1ccc(O)cc1	CCCCOC(=O)c1ccc([O-])cc1	mol482	CCCCOC(=O)c1ccc(O)cc1
3.0	Hunt	2	1	O=C(O)COCC[NH+]1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	O=C(O)COCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,O=C([O-])COCC[NH+]1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,O=C(O)COCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	mol483	O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
7.95	Hunt	0	-1	O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,O=C([O-])COCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,O=C([O-])COCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	O=C([O-])COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	mol483	O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
11.0	Hunt	2	1	""	""	mol484	[H]/N=C(/N)SCCc1cccc(CCS/C(N)=N\[H])c1
6.65	Hunt	1	0	CCCOC(C(=O)OC1CC[NH+](C)CC1)(c1ccccc1)c1ccccc1	CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1	mol485	CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1
9.14	Hunt	1	0	CC[NH+](CC)CCNC(=O)c1ccc(NC(C)=O)cc1	CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1	mol486	CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1
7.14	Hunt	1	0	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[NH+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2[nH+]1	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	mol487	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
4.7	Hunt	0	-1	CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21	CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21	mol488	CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21
7.1	Hunt	1	0	COc1cc[nH+]c(NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1,COc1ccnc([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1	COc1ccnc(NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1	mol489	COc1ccnc(NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1
3.8	Hunt	1	0	c1ccc(SCc2cccc[nH+]2)cc1	c1ccc(SCc2ccccn2)cc1	mol490	c1ccc(SCc2ccccn2)cc1
8.8	Hunt	1	0	CC[NH+](CC)[C@H](C)C(=O)c1ccccc1	CCN(CC)[C@H](C)C(=O)c1ccccc1	mol491	CCN(CC)[C@H](C)C(=O)c1ccccc1
3.37	Hunt	0	-1	CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]nnn3C)CS[C@@H]21,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3n[nH+]nn3C)CS[C@@H]21,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nn[nH+]n3C)CS[C@@H]21	CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21	mol492	CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
2.3	Hunt	0	-1	Cc1nn(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1C#N	Cc1nn(-c2ccccc2)c(NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1C#N	mol493	Cc1nn(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1C#N
8.73	Hunt	1	0	NC1=N[C@H](c2cccs2)[NH2+]c2cccc(F)c21,NC1=[NH+][C@H](c2cccs2)Nc2cccc(F)c21	NC1=N[C@H](c2cccs2)Nc2cccc(F)c21	mol494	NC1=N[C@H](c2cccs2)Nc2cccc(F)c21
7.1	Hunt	1	0	Cc1cc([NH3+])nc(CCNC(=O)c2ccc(C#N)cc2)c1,Cc1cc(N)[nH+]c(CCNC(=O)c2ccc(C#N)cc2)c1	Cc1cc(N)nc(CCNC(=O)c2ccc(C#N)cc2)c1	mol495	Cc1cc(N)nc(CCNC(=O)c2ccc(C#N)cc2)c1
5.3	Hunt	1	0	CCOC(=O)N1CCC([NH2+]c2cc(Cl)ccn2)CC1,CCOC(=O)N1CCC(Nc2cc(Cl)cc[nH+]2)CC1	CCOC(=O)N1CCC(Nc2cc(Cl)ccn2)CC1	mol496	CCOC(=O)N1CCC(Nc2cc(Cl)ccn2)CC1
3.49	Hunt	0	-1	O=C(O)CCCCCCCC(=O)O	O=C([O-])CCCCCCCC(=O)O	mol497	O=C(O)CCCCCCCC(=O)O
10.6	Hunt	1	0	c1ccc2c(c1)CCC[C@H]2C1=[NH+]CCN1	c1ccc2c(c1)CCC[C@H]2C1=NCCN1	mol498	c1ccc2c(c1)CCC[C@H]2C1=NCCN1
8.05	Hunt	1	0	""	""	mol499	C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
5.58	Hunt	1	0	Nc1nc(-c2cccc[nH+]2)nc(N)c1Cc1ccc(Cl)cc1Cl,Nc1nc(-c2ccccn2)nc([NH3+])c1Cc1ccc(Cl)cc1Cl,Nc1nc(-c2ccccn2)[nH+]c(N)c1Cc1ccc(Cl)cc1Cl	Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl	mol500	Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl
9.7	Hunt	1	0	COCCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	COCCc1ccc(OC[C@H](O)CNC(C)C)cc1	mol501	COCCc1ccc(OC[C@H](O)CNC(C)C)cc1
8.05	Hunt	1	0	Clc1cccc(Cl)c1NC1=[NH+]CCN1	Clc1cccc(Cl)c1NC1=NCCN1	mol502	Clc1cccc(Cl)c1NC1=NCCN1
8.19	Hunt	0	-1	CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2ccc[nH+]c2c1[O-],CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O	CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1[O-]	mol503	CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O
2.5	Hunt	1	0	CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2ccc[nH+]c2c1O	CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2ccc[nH+]c2c1[O-],CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O	mol503	CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O
7.65	Hunt	1	0	CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)[NH+](C)C1	CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)N(C)C1	mol504	CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)N(C)C1
5.1	Hunt	0	-1	CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	mol505	CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
8.85	Hunt	1	0	C[NH+](C)[C@@H]1CCc2c(ccc(O)c2O)C1	C[NH+](C)[C@@H]1CCc2c(ccc([O-])c2O)C1,C[NH+](C)[C@@H]1CCc2c(ccc(O)c2[O-])C1,CN(C)[C@@H]1CCc2c(ccc(O)c2O)C1	mol506	CN(C)[C@@H]1CCc2c(ccc(O)c2O)C1
10.5	Hunt	0	-1	C[NH+](C)[C@@H]1CCc2c(ccc([O-])c2O)C1,C[NH+](C)[C@@H]1CCc2c(ccc(O)c2[O-])C1,CN(C)[C@@H]1CCc2c(ccc(O)c2O)C1	CN(C)[C@@H]1CCc2c(ccc(O)c2[O-])C1,CN(C)[C@@H]1CCc2c(ccc([O-])c2O)C1,C[NH+](C)[C@@H]1CCc2c(ccc([O-])c2[O-])C1	mol506	CN(C)[C@@H]1CCc2c(ccc(O)c2O)C1
10.5	Hunt	0	-1	CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1	CCCSc1ccc2nc(NC(=O)OC)[n-]c2c1	mol507	CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
5.88	Hunt	1	0	CCCSc1ccc2[nH+]c(NC(=O)OC)[nH]c2c1	CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1	mol507	CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
7.26	Hunt	1	0	COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[NH+](C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1,COC(=O)C1=C(C)[NH2+]C(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	mol508	COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1
4.2	Hunt	1	0	c1ccc(CSc2[nH]c3ccccc3[nH+]2)cc1	c1ccc(CSc2nc3ccccc3[nH]2)cc1	mol509	c1ccc(CSc2nc3ccccc3[nH]2)cc1
2.41	Hunt	1	0	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=[OH+])N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(O)=[OH+],CC1(C)S[C@@H]2[C@H](NC(=[OH+])[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=[OH+])c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=[OH+])N2[C@H]1C(=O)O	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O	mol510	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
3.9	Hunt	0	-1	CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S@+](C)[O-])cc1	CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C\c1ccc([S@+](C)[O-])cc1	mol511	CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S@+](C)[O-])cc1
2.7	Hunt	0	-1	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])n1,CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)[nH+]1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)[nH+]n3C)CS[C@H]12)c1csc(N)n1,CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc([NH3+])n1,CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)[nH+]1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])[nH+]1,CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)[nH+]1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)[nH+]1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])n1,CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)[nH+]1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3[nH+]c(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc([NH3+])n1,CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1	mol512	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1
3.35	Hunt	0	-1	CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)[nH+]1,CO/[NH+]=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc([NH3+])n1,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1	CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1	mol513	CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1
8.0	Hunt	1	0	C[NH+](C)CC/C=C1\c2ccccc2COc2ccccc21	CN(C)CC/C=C1\c2ccccc2COc2ccccc21	mol414	CN(C)CC/C=C1\c2ccccc2COc2ccccc21
6.9	Hunt	0	-1	O=C([O-])COc1ccc(C(F)(F)F)cc1C[NH+]1CCN(C(=O)c2ccccc2)CC1,O=C(O)COc1ccc(C(F)(F)F)cc1CN1CCN(C(=O)c2ccccc2)CC1	O=C([O-])COc1ccc(C(F)(F)F)cc1CN1CCN(C(=O)c2ccccc2)CC1	mol514	O=C(O)COc1ccc(C(F)(F)F)cc1CN1CCN(C(=O)c2ccccc2)CC1
7.8	Hunt	0	-1	O=C([O-])COc1ccc(Cl)cc1C[NH+]1CCC(S(=O)(=O)c2ccccc2)CC1,O=C(O)COc1ccc(Cl)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1	O=C([O-])COc1ccc(Cl)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1	mol515	O=C(O)COc1ccc(Cl)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1
8.8	Hunt	1	0	CC(C)(C)c1ccc([C@@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1	CC(C)(C)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1	mol516	CC(C)(C)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
3.75	Hunt	0	-1	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc([NH3+])n1,CO/[NH+]=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)[nH+]1	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1	mol517	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1
10.3	Hunt	1	0	N#Cc1ccc(Cl)cc1O[C@H](CC[NH3+])c1ccccc1	N#Cc1ccc(Cl)cc1O[C@H](CCN)c1ccccc1	mol518	N#Cc1ccc(Cl)cc1O[C@H](CCN)c1ccccc1
7.5	Hunt	1	0	Cn1c(=O)c2c(ncn2CC[NH+](C)C)n(C)c1=O,CN(C)CCn1c[nH+]c2c1c(=O)n(C)c(=O)n2C	CN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C	mol519	CN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C
2.51	Hunt	1	0	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccccc3)C(=O)N2[C@H]1C(=O)O	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-],CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O	mol9	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
7.7	Hunt	0	-1	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]([NH3+])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-],CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	mol9	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
9.1	Hunt	1	0	CCOC(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=[NH+]2,CCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1[NH2+]2	CCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2	mol520	CCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2
8.5	Hunt	1	0	[NH3+]C[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1	NC[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1	mol521	NC[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1
4.4	Hunt	0	-1	O=C(O)/C=C/c1cccnc1,O=C([O-])/C=C/c1ccc[nH+]c1	O=C([O-])/C=C/c1cccnc1	mol522	O=C(O)/C=C/c1cccnc1
3.4	Hunt	0	-1	CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(Cl)c1	CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)[O-])c(Cl)c1	mol523	CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(Cl)c1
3.4	Hunt	0	-1	CC[C@@H](Oc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)CC)cc1C)C(=O)O	CC[C@@H](Oc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)CC)cc1C)C(=O)[O-]	mol524	CC[C@@H](Oc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)CC)cc1C)C(=O)O
10.1	Hunt	1	0	CC[C@H](CC[NH2+]C)Oc1cc(Cl)ccc1C#N	CC[C@H](CCNC)Oc1cc(Cl)ccc1C#N	mol525	CC[C@H](CCNC)Oc1cc(Cl)ccc1C#N
9.9	Hunt	1	0	C[NH2+]CC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1	CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1	mol526	CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1
9.6	Hunt	1	0	N#Cc1cc(F)c(Cl)cc1O[C@H](CC[NH3+])c1ccccc1	N#Cc1cc(F)c(Cl)cc1O[C@H](CCN)c1ccccc1	mol527	N#Cc1cc(F)c(Cl)cc1O[C@H](CCN)c1ccccc1
9.5	Hunt	1	0	N#Cc1ccc(C(F)(F)F)[nH+]c1O[C@H](CCN)c1ccno1,N#Cc1ccc(C(F)(F)F)nc1O[C@H](CC[NH3+])c1ccno1,N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1cc[nH+]o1	N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ccno1	mol528	N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ccno1
10.4	Hunt	1	0	C[NH2+]CC[C@@H](Oc1cc(C(F)(F)F)ccc1C#N)c1ccccc1	CNCC[C@@H](Oc1cc(C(F)(F)F)ccc1C#N)c1ccccc1	mol529	CNCC[C@@H](Oc1cc(C(F)(F)F)ccc1C#N)c1ccccc1
10.2	Hunt	1	0	C[NH2+]CC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1	CNCC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1	mol530	CNCC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1
8.47	Hunt	1	0	CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(C[NH+](C)C)o1,C[NH2+]/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,CN/C(=C\[N+](=O)[O-])[NH2+]CCSCc1ccc(CN(C)C)o1	CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1	mol68	CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
8.1	Hunt	1	0	CN(C(=O)Cc1ccc(S(=O)(=O)[NH+](C)C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,CN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1	CN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1	mol531	CN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
8.42	Hunt	0	-1	CC1=NS(=O)(=O)c2cc(Cl)ccc2N1	CC1=NS(=O)(=O)c2cc(Cl)ccc2[N-]1	mol532	CC1=NS(=O)(=O)c2cc(Cl)ccc2N1
8.6	Hunt	1	0	Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)[nH+]n1C[C@H](O)CN,Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1C[C@H](O)C[NH3+]	Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1C[C@H](O)CN	mol533	Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1C[C@H](O)CN
6.1	Hunt	0	-1	N#Cc1cn(Cc2ccco2)c(=O)[nH]c1=O	N#Cc1cn(Cc2ccco2)c(=O)[n-]c1=O	mol534	N#Cc1cn(Cc2ccco2)c(=O)[nH]c1=O
8.51	Hunt	0	-1	Cn1c(=O)c2nc[nH]c2n(C)c1=O	Cn1c(=O)c2nc[n-]c2n(C)c1=O	mol535	Cn1c(=O)c2nc[nH]c2n(C)c1=O
4.7	Hunt	0	-1	CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1	CC(C)Cc1ccc([C@@H](C)C(=O)[N-]S(C)(=O)=O)cc1	mol536	CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1
4.5	Hunt	0	-1	CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)C1CCCC1	CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1[N-]S(=O)(=O)C1CCCC1	mol537	CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)C1CCCC1
4.2	Hunt	0	-1	CCC(CC)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1	CCC(CC)NC(=O)c1c(C)nn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1	mol538	CCC(CC)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
3.8	Hunt	0	-1	Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C(F)(F)F)nn2-c2ccccc2)cc1	Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)N[C@@H](C)C(C)(C)C)c(C(F)(F)F)nn2-c2ccccc2)cc1	mol539	Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C(F)(F)F)nn2-c2ccccc2)cc1
3.0	Hunt	0	-1	Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C	Cc1nn(-c2ccc(F)cc2)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C	mol540	Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C
3.4	Hunt	0	-1	Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)C(C)(C)C	Cc1nn(-c2ccc(F)cc2)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)C(C)(C)C	mol541	Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)C(C)(C)C
4.7	Hunt	0	-1	CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1	CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1[N-]S(=O)(=O)c1ccc(C)cc1	mol542	CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1
4.5	Hunt	0	-1	Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1	Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1	mol543	Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1
5.5	Hunt	0	-1	Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)(C)C)cc1	Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)(C)C)cc1	mol544	Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)(C)C)cc1
9.0	Hunt	1	0	O=C([C@H]1CCCC[NH2+]1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1,O=C([C@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3ccc[nH+]c3n2)CC1,O=C([C@H]1CCCCN1)N1CC[NH+](c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1,O=C([C@H]1CCCCN1)N1CCN(c2nc([NH2+]Cc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1,O=C([C@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3[nH+]2)CC1,O=C([C@H]1CCCCN1)N1CCN(c2nc3ncccc3c(NCc3ccc(Cl)cc3Cl)[nH+]2)CC1	O=C([C@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1	mol545	O=C([C@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1
8.61	Hunt	0	-1	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1	O=C([N-]c1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1,O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc([N-]c2ccccc2F)o1	mol546	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1
6.17	Hunt	0	-1	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1	O=C([N-]c1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1,O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc([N-]c2ccccc2F)o1	mol546	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1
9.1	Hunt	1	0	O=C(CN1C2=[NH+]CCN2c2ccccc21)c1ccc(Cl)cc1	O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Cl)cc1	mol547	O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Cl)cc1
8.1	Hunt	0	-1	COC(=O)c1cc2nc([S@@+]([O-])Cc3ncccc3C)[nH]c2cc1C	COC(=O)c1cc2nc([S@@+]([O-])Cc3ncccc3C)[n-]c2cc1C	mol548	COC(=O)c1cc2nc([S@@+]([O-])Cc3ncccc3C)[nH]c2cc1C
3.5	Hunt	2	1	COC(=O)c1cc2[nH+]c([S@@+]([O-])Cc3[nH+]cccc3C)[nH]c2cc1C	COC(=O)c1cc2nc([S@@+]([O-])Cc3[nH+]cccc3C)[nH]c2cc1C,COC(=O)c1cc2[nH+]c([S@@+]([O-])Cc3ncccc3C)[nH]c2cc1C	mol548	COC(=O)c1cc2nc([S@@+]([O-])Cc3ncccc3C)[nH]c2cc1C
9.36	Hunt	1	0	COc1cc2ncnc([NH2+]c3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+]1CCCCC1,COc1cc2[nH+]cnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1,COc1cc2nc[nH+]c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1	mol549	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1
8.9	Hunt	0	-1	N#Cc1ccc(C[C@@H](C(=O)[O-])[NH+]2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,N#Cc1ccc(C[C@@H](C(=O)[O-])N2CCC(C[NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,N#Cc1ccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	N#Cc1ccc(C[C@@H](C(=O)[O-])N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	mol550	N#Cc1ccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1
9.2	Hunt	0	-1	Cc1ccccc1C[C@@H](C(=O)[O-])N1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,Cc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,Cc1ccccc1C[C@@H](C(=O)[O-])[NH+]1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	Cc1ccccc1C[C@@H](C(=O)[O-])N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol551	Cc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
9.1	Hunt	0	-1	O=C([O-])[C@H](c1ccccc1)[NH+]1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C(O)[C@H](c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C([O-])[C@H](c1ccccc1)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C([O-])[C@H](c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol552	O=C(O)[C@H](c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
3.0	Hunt	2	1	O=C(O)[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C(O)[C@H](c1ccccc1)N1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C([O-])[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C(O)[C@H](c1ccccc1)[NH+]1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol553	O=C(O)[C@H](c1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
9.6	Hunt	0	-1	O=C(O)[C@H](c1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C([O-])[C@H](c1ccccc1)[NH+]1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C([O-])[C@H](c1ccccc1)N1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C([O-])[C@H](c1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol553	O=C(O)[C@H](c1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
4.3	Hunt	1	0	O=C(NS(=O)(=O)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1,O=C(NS(=O)(=O)[NH+]1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1	O=C(NS(=O)(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1	mol554	O=C(NS(=O)(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1
8.1	Hunt	0	-1	O=C(NS(=O)(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1	O=C([N-]S(=O)(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1	mol554	O=C(NS(=O)(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1
7.4	Hunt	1	0	COc1cccc(C(=O)NCC[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1	COc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1	mol555	COc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1
3.0	Hunt	2	1	O=S(=O)(NC(=[OH+])N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccc(F)cc1	O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol556	O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
8.45	Hunt	0	-1	O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C([N-]S(=O)(=O)c1ccc(F)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol556	O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
3.6	Hunt	2	1	COc1ccc(S(=O)(=O)NC(=[OH+])N2CCC([NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	COc1ccc(S(=O)(=O)NC(=O)N2CCC([NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	mol557	COc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1
8.3	Hunt	0	-1	COc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	COc1ccc(S(=O)(=O)[N-]C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	mol557	COc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1
6.1	Hunt	1	0	CN(C)c1ccc(S(=O)(=O)NC(=O)N2CCC([NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,C[NH+](C)c1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	CN(C)c1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	mol558	CN(C)c1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1
3.4	Hunt	2	1	Cc1ccccc1S(=O)(=O)NC(=[OH+])N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	Cc1ccccc1S(=O)(=O)NC(=O)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol559	Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
6.6	Hunt	1	0	C[NH+](C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol560	CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
8.6	Hunt	0	-1	CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	CN(C)c1ccccc1S(=O)(=O)[N-]C(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol560	CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
3.2	Hunt	2	1	Cc1ccc(S(=O)(=O)NC(=[OH+])N2CCC([NH+]3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1	Cc1ccc(S(=O)(=O)NC(=O)N2CCC([NH+]3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1	mol561	Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1
8.7	Hunt	0	-1	Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1	Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1	mol561	Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1
5.9	Hunt	1	0	O=C(Nc1ccc(Cl)c(S(=O)(=O)[NH+]2CCNCC2)c1O)Nc1cccc(F)c1Cl,O=C(Nc1ccc(Cl)c(S(=O)(=O)[NH+]2CC[NH2+]CC2)c1[O-])Nc1cccc(F)c1Cl,O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CC2)c1O)Nc1cccc(F)c1Cl	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl,O=C(Nc1ccc(Cl)c(S(=O)(=O)[NH+]2CCNCC2)c1[O-])Nc1cccc(F)c1Cl,O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CC2)c1[O-])Nc1cccc(F)c1Cl	mol562	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl
8.5	Hunt	0	-1	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl,O=C(Nc1ccc(Cl)c(S(=O)(=O)[NH+]2CCNCC2)c1[O-])Nc1cccc(F)c1Cl,O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CC2)c1[O-])Nc1cccc(F)c1Cl	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1[O-])Nc1cccc(F)c1Cl	mol562	O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl
5.83	Hunt	1	0	COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(N)=[NH+]2)cc1C,COc1ccc([C@@]2(c3cccc(-c4cnc[nH+]c4)c3)N=C(C)C(N)=N2)cc1C,COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)C(C)=[NH+]2)cc1C	COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(N)=N2)cc1C	mol563	COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(N)=N2)cc1C
6.04	Hunt	2	1	CC1=[NH+][C@](c2cccc(-c3c[nH+]cc(Cl)c3)c2)(C2CC2)N=C1N,CC1=N[C@](c2cccc(-c3c[nH+]cc(Cl)c3)c2)(C2CC2)[NH+]=C1N,CC1=[NH+][C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)[NH+]=C1N	CC1=N[C@](c2cccc(-c3c[nH+]cc(Cl)c3)c2)(C2CC2)N=C1N,CC1=[NH+][C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N,CC1=N[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)[NH+]=C1N	mol564	CC1=N[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N
2.22	Hunt	1	0	CCOC(=O)C1=C(C)[NH2+]C(C)=C(C(C)=O)[C@H]1c1cccc2c(=O)cc(C)oc12	CCOC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cccc2c(=O)cc(C)oc12	mol565	CCOC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cccc2c(=O)cc(C)oc12
4.68	Hunt	1	0	CCOc1[nH+]cc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2,CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)[NH2+]2	CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2	mol566	CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2
7.6	Hunt	1	0	O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C(F)(F)F,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH][nH+]c1C(F)(F)F	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C(F)(F)F	mol567	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C(F)(F)F
9.1	Hunt	0	-1	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C(F)(F)F	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[n-]nc1C(F)(F)F	mol567	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C(F)(F)F
7.8	Hunt	1	0	Cn1cc(C(=O)NC[C@@H](O)C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(C(F)(F)F)cc1=O	Cn1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(C(F)(F)F)cc1=O	mol568	Cn1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(C(F)(F)F)cc1=O
10.9	Hunt	0	-1	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[n-]c(=O)c2ccccc12	mol569	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12
7.7	Hunt	1	0	O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12	mol569	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12
2.46	Hunt	0	-1	Cc1o[nH+]c(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-],Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O	Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	mol570	Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
8.08	Hunt	1	0	COc1ccc([C@@H]2Sc3ccccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1	COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1	mol64	COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1
6.2	Hunt	0	-1	Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl	Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2cscn2)cc1Cl,Nc1[n-]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl	mol571	Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl
10.0	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(C[NH+]2C[C@H]3CNC[C@@H](C2)O3)ccc1Cl,O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(CN2C[C@H]3C[NH2+]C[C@@H](C2)O3)ccc1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(CN2C[C@H]3CNC[C@@H](C2)O3)ccc1Cl	mol572	O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2C[C@H]3CNC[C@@H](C2)O3)ccc1Cl
8.85	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(C[NH+]2CCNCC2)ccc1Cl,O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(CN2CC[NH2+]CC2)ccc1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(CN2CCNCC2)ccc1Cl	mol573	O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2CCNCC2)ccc1Cl
7.7	Hunt	0	-1	O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br	O=C(Nc1ccc([N+](=O)[O-])cc1[O-])Nc1ccccc1Br	mol574	O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br
9.6	Hunt	1	0	CC(C)[NH2+]C[C@@H](O)COc1ccc(CC(N)=O)cc1	CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1	mol575	CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
9.91	Hunt	1	0	CC(C)c1[nH+]c2ccc(-c3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1,CC(C)c1nc2ccc(-c3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCC[NH+](C(C)C)C1	CC(C)c1nc2ccc(-c3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1	mol576	CC(C)c1nc2ccc(-c3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1
10.09	Hunt	1	0	Cc1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCC[NH+](C(C)C)C1,Cc1[nH+]c2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1	Cc1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1	mol577	Cc1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1
7.5	Hunt	0	-1	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[n-]c(=O)cnc12	mol578	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12
9.0	Hunt	1	0	CCN1CCC[C@H]1CNC(=O)c1cc(S([NH3+])(=O)=O)ccc1OC,CC[NH+]1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	mol579	CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC
9.1	Hunt	1	0	[NH3+][C@@H]1CCc2cc(O)c(O)cc2C1	[NH3+][C@@H]1CCc2cc(O)c([O-])cc2C1,N[C@@H]1CCc2cc(O)c(O)cc2C1,[NH3+][C@@H]1CCc2cc([O-])c(O)cc2C1	mol580	N[C@@H]1CCc2cc(O)c(O)cc2C1
10.5	Hunt	0	-1	[NH3+][C@@H]1CCc2cc(O)c([O-])cc2C1,N[C@@H]1CCc2cc(O)c(O)cc2C1,[NH3+][C@@H]1CCc2cc([O-])c(O)cc2C1	N[C@@H]1CCc2cc(O)c([O-])cc2C1,[NH3+][C@@H]1CCc2cc([O-])c([O-])cc2C1,N[C@@H]1CCc2cc([O-])c(O)cc2C1	mol580	N[C@@H]1CCc2cc(O)c(O)cc2C1
6.6	Hunt	0	-1	COC(=O)c1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[nH]c1=O	COC(=O)c1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[n-]c1=O	mol581	COC(=O)c1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[nH]c1=O
5.6	Hunt	1	0	O=S(=O)(c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1,O=S(=O)(c1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1	O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2)CC1	mol582	O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2)CC1
9.25	Hunt	1	0	CCC[NH+](CCC)[C@@H]1CCc2c(O)cccc2C1	CCC[NH+](CCC)[C@@H]1CCc2c([O-])cccc2C1,CCCN(CCC)[C@@H]1CCc2c(O)cccc2C1	mol583	CCCN(CCC)[C@@H]1CCc2c(O)cccc2C1
10.85	Hunt	0	-1	CCC[NH+](CCC)[C@@H]1CCc2c([O-])cccc2C1,CCCN(CCC)[C@@H]1CCc2c(O)cccc2C1	CCCN(CCC)[C@@H]1CCc2c([O-])cccc2C1	mol583	CCCN(CCC)[C@@H]1CCc2c(O)cccc2C1
8.94	Hunt	1	0	CN(C)CCNc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)nc2ccccc12,CN(C)CCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)[nH+]c2ccccc12,CN1CCN(c2ccc(-c3cc(NCC[NH+](C)C)c4ccccc4n3)cc2)CC1,CN(C)CC[NH2+]c1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12,CN(C)CCNc1cc(-c2ccc([NH+]3CCN(C)CC3)cc2)nc2ccccc12	CN(C)CCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12	mol584	CN(C)CCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12
9.62	Hunt	1	0	COc1ccc(CCN2CCC([NH2+]c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,COc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,COc1ccc(CCN2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1	COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1	mol585	COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
2.5	Hunt	0	-1	O=C(O)c1cc(=O)c2ccccc2[nH]1	O=C([O-])c1cc(=O)c2ccccc2[nH]1,O=C(O)c1cc(=O)c2ccccc2[n-]1	mol586	O=C(O)c1cc(=O)c2ccccc2[nH]1
6.97	Hunt	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
10.6	Hunt	1	0	Cc1cc(C(C)(C)C)cc(C)c1CC1=[NH+]CCN1	Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1	mol588	Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1
2.4	Hunt	0	-1	CC1=[NH+]N(C(=O)CCS)[C@H](C(=O)[O-])S1,CC1=[NH+]N(C(=O)CC[S-])[C@H](C(=O)O)S1,CC1=NN(C(=O)CCS)[C@H](C(=O)O)S1	CC1=NN(C(=O)CCS)[C@H](C(=O)[O-])S1,CC1=[NH+]N(C(=O)CC[S-])[C@H](C(=O)[O-])S1,CC1=NN(C(=O)CC[S-])[C@H](C(=O)O)S1	mol589	CC1=NN(C(=O)CCS)[C@H](C(=O)O)S1
9.0	Hunt	1	0	NC1=[NH+][C@H](c2ccc(F)cc2)Nc2cccc(F)c21,NC1=N[C@H](c2ccc(F)cc2)[NH2+]c2cccc(F)c21	NC1=N[C@H](c2ccc(F)cc2)Nc2cccc(F)c21	mol590	NC1=N[C@H](c2ccc(F)cc2)Nc2cccc(F)c21
9.4	Hunt	0	-1	Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O	Cc1cn(Cc2ccccc2)c(=O)[n-]c1=O	mol591	Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O
9.0	Hunt	1	0	CCOC(=O)N1CCC2(CC1)Nc1cccc(Cl)c1C(N)=[NH+]2,CCOC(=O)N1CCC2(CC1)N=C(N)c1c(Cl)cccc1[NH2+]2	CCOC(=O)N1CCC2(CC1)N=C(N)c1c(Cl)cccc1N2	mol592	CCOC(=O)N1CCC2(CC1)N=C(N)c1c(Cl)cccc1N2
9.0	Hunt	1	0	N#Cc1ccc(C(=O)N2CCC3(CC2)Nc2cccc(F)c2C(N)=[NH+]3)cc1,N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2[NH2+]3)cc1	N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1	mol593	N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1
8.75	Hunt	1	0	CCC[NH+](CCC)CCc1ccc(O)c(NC(C)=O)c1	CCCN(CCC)CCc1ccc(O)c(NC(C)=O)c1,CCC[NH+](CCC)CCc1ccc([O-])c(NC(C)=O)c1	mol594	CCCN(CCC)CCc1ccc(O)c(NC(C)=O)c1
10.8	Hunt	0	-1	CCCN(CCC)CCc1ccc(O)c(NC(C)=O)c1,CCC[NH+](CCC)CCc1ccc([O-])c(NC(C)=O)c1	CCCN(CCC)CCc1ccc([O-])c(NC(C)=O)c1	mol594	CCCN(CCC)CCc1ccc(O)c(NC(C)=O)c1
5.0	Hunt	0	-1	COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C	COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)[N-]C(=O)NC3CCCCC3)cc1)C(=O)C2(C)C	mol595	COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C
2.7	Hunt	1	0	CON(C)C(=O)c1c(Cn2c(C)[nH+]c(Cl)c2Cl)sc2c1c(=O)n(C)c(=O)n2CC(C)C	CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2c1c(=O)n(C)c(=O)n2CC(C)C	mol596	CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2c1c(=O)n(C)c(=O)n2CC(C)C
4.5	Hunt	1	0	c1c[nH+]c2[nH]ccc2c1	c1cnc2[nH]ccc2c1	mol597	c1cnc2[nH]ccc2c1
9.0	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(OC2CC[NH2+]CC2)ccc1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(OC2CCNCC2)ccc1Cl	mol598	O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ccc1Cl
7.5	Hunt	0	-1	CCC1(c2ccccc2)C(=O)NC(=O)NC1=O	CCC1(c2ccccc2)C(=O)[N-]C(=O)NC1=O	mol599	CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
7.9	Hunt	0	-1	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)c(C#N)cc12	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[n-]c(=O)c(C#N)cc12	mol600	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)c(C#N)cc12
4.5	Hunt	0	-1	C(=C/c1nn[nH]n1)\c1ccccc1	C(=C/c1nn[n-]n1)\c1ccccc1	mol601	C(=C/c1nn[nH]n1)\c1ccccc1
9.9	Hunt	1	0	C[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1	CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1	mol602	CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1
10.0	Hunt	0	-1	C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	C[C@@]12CC[C@H]3c4ccc([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	mol603	C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O
9.53	Hunt	1	0	CC(C)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CC2)cc1	CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1	mol604	CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1
4.7	Hunt	0	-1	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NS(C)(=O)=O)sc12	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc([N-]S(C)(=O)=O)sc12	mol605	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NS(C)(=O)=O)sc12
6.29	Hunt	0	-1	Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	mol606	Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
5.2	Hunt	0	-1	CS(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12	CS(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[n-]c2ccc(C#N)cc12,CS(=O)(=O)[N-]C(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12	mol607	CS(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12
8.0	Hunt	0	-1	O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)[NH2+]1,O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1	O=C(O)[C@@H]1Cc2c([n-]c3ccccc23)[C@H](c2ccccc2)N1,O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1	mol608	O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1
8.4	Hunt	1	0	N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2[NH2+]3)cn1,N#Cc1ccc(C(=O)N2CCC3(CC2)Nc2c(F)ccc(F)c2C(N)=[NH+]3)cn1,N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)c[nH+]1	N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cn1	mol609	N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cn1
6.3	Hunt	1	0	""	""	mol610	[H]/N=c1/[nH]c(C)c(C)s1
5.25	Hunt	0	-1	CC(=O)NS(=O)(=O)c1ccc(N)cc1	CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	mol611	CC(=O)NS(=O)(=O)c1ccc(N)cc1
7.73	Hunt	1	0	Cc1[nH+]ccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O	Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O	mol612	Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O
3.76	Hunt	1	0	COc1ccc(Cl)cc1C(=[OH+])NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=[OH+])NC2CCCCC2)cc1	COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1	mol613	COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
8.2	Hunt	1	0	COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)[NH+](C)CC[C@@]341	COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341	mol66	COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341
7.61	Hunt	1	0	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2nccc[nH+]2)CC1,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CC[NH+](c2ncccn2)CC1,O=C1CC2(CCCC2)CC(=O)N1CCCC[NH+]1CCN(c2ncccn2)CC1	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1	mol55	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
8.8	Hunt	1	0	CC(C)(C)NC[C@H](O)COc1ns[nH+]c1N1CCOCC1,CC(C)(C)NC[C@H](O)COc1[nH+]snc1N1CCOCC1,CC(C)(C)NC[C@H](O)COc1nsnc1[NH+]1CCOCC1,CC(C)(C)[NH2+]C[C@H](O)COc1nsnc1N1CCOCC1	CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1	mol101	CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
9.62	Hunt	1	0	CC(C)[NH2+]C[C@@H](O)COc1cccc2[nH]ccc12	CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12	mol614	CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12
5.3	Hunt	2	1	COc1cc[nH+]c(CSc2[nH]c3ccccc3[nH+]2)c1	COc1ccnc(CSc2[nH]c3ccccc3[nH+]2)c1,COc1cc[nH+]c(CSc2nc3ccccc3[nH]2)c1	mol615	COc1ccnc(CSc2nc3ccccc3[nH]2)c1
5.8	Hunt	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
5.2	Hunt	0	-1	CC(C)Cc1ccc([C@H](C)C(=O)O)cc1	CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1	mol617	CC(C)Cc1ccc([C@H](C)C(=O)O)cc1
6.3	Hunt	0	-1	CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,CN1C(C(=O)Nc2cccc[nH+]2)=C([O-])c2ccccc2S1(=O)=O,C[NH+]1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O	CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O	mol618	CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
9.0	Hunt	1	0	C[NH+]1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1	CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1	mol619	CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1
8.75	Hunt	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
9.5	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(OCCC[NH2+]CCCO)ccc1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(OCCCNCCCO)ccc1Cl	mol620	O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCCNCCCO)ccc1Cl
7.18	Hunt	1	0	Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H](C2)O3)cc1NC(=O)C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	Cc1ccc(C(=O)N2C[C@H]3CNC[C@@H](C2)O3)cc1NC(=O)C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	mol621	Cc1ccc(C(=O)N2C[C@H]3CNC[C@@H](C2)O3)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2
6.2	Hunt	0	-1	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	mol622	O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl
9.13	Hunt	1	0	Cc1cccc(C)c1OC[C@H](C)[NH3+]	Cc1cccc(C)c1OC[C@H](C)N	mol623	Cc1cccc(C)c1OC[C@H](C)N
6.1	Hunt	0	-1	O=C(NCCc1ccccc1Cl)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl	O=C(NCCc1ccccc1Cl)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	mol624	O=C(NCCc1ccccc1Cl)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl
9.1	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(OC2CCNCC2)[nH+]cc1Cl,O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(OC2CC[NH2+]CC2)ncc1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(OC2CCNCC2)ncc1Cl	mol625	O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ncc1Cl
4.2	Hunt	0	-1	C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1	C[C@H](C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1	mol626	C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1
6.52	Hunt	0	-1	N#Cc1c([O-])nc(N)[nH+]c1-c1ccccc1,N#Cc1c(O)nc(N)nc1-c1ccccc1,N#Cc1c([O-])nc([NH3+])nc1-c1ccccc1	N#Cc1c([O-])nc(N)nc1-c1ccccc1	mol627	N#Cc1c(O)nc(N)nc1-c1ccccc1
8.5	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc([NH+]2CCNCC2)ncc1Cl,O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(N2CC[NH2+]CC2)ncc1Cl,O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(N2CCNCC2)[nH+]cc1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(N2CCNCC2)ncc1Cl	mol628	O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCNCC2)ncc1Cl
3.1	Hunt	1	0	CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C(=O)O	CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-],CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O	mol18	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
6.4	Hunt	0	-1	CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-],CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	mol18	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
8.35	Hunt	1	0	CCC[NH+](CCC)CCc1ccc(O)c2c1CC(=O)N2	CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2,CCC[NH+](CCC)CCc1ccc([O-])c2c1CC(=O)N2	mol629	CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2
10.2	Hunt	0	-1	CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2,CCC[NH+](CCC)CCc1ccc([O-])c2c1CC(=O)N2	CCCN(CCC)CCc1ccc([O-])c2c1CC(=O)N2	mol629	CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2
9.4	Hunt	1	0	C[NH+](C)CCC=C1c2ccccc2CCc2ccccc21	CN(C)CCC=C1c2ccccc2CCc2ccccc21	mol95	CN(C)CCC=C1c2ccccc2CCc2ccccc21
9.27	Hunt	1	0	CCC[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1	CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1	mol630	CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1
9.45	Hunt	1	0	CCCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1	CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1	mol98	CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1
9.87	Hunt	1	0	CC(C)[NH2+]C[C@@H](O)COc1ccc(COCCOC(C)C)cc1	CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1	mol631	CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1
8.6	Hunt	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	mol632	COc1ccc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
8.18	Hunt	1	0	C[NH+]1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5	C[NH+]1CC[C@]23c4c5ccc([O-])c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5	mol137	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
9.3	Hunt	1	0	CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1	CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1,CC(C)(C)[NH2+]C[C@H](O)c1ccc([O-])c(CO)c1	mol633	CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1
5.3	Hunt	0	-1	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol634	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
5.6	Hunt	0	-1	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3[nH+]2)c1,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1	mol635	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
7.94	Hunt	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
10.66	Hunt	1	0	C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@]([NH3+])(C3)C2	C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](N)(C3)C2	mol636	C[C@]12CC3CC(N)(C1)C[C@@](C)(C3)C2
5.8	Hunt	0	-1	Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1	Cc1ccc(S(=O)(=O)[N-]C(=O)NN2CCCCCC2)cc1	mol637	Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1
9.14	Hunt	1	0	CN(C)C(=O)C(CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1	CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1	mol638	CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
8.49	Hunt	1	0	Cc1[nH+]c2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,Cc1nc2n(c(=O)c1CCN1CCC(c3[nH+]oc4cc(F)ccc34)CC1)CCCC2	Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2	mol165	Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
9.51	Hunt	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
8.4	Hunt	1	0	C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	mol639	C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1
2.26	Hunt	1	0	CC(C)(C(=O)O)c1ccc([C@@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1	CC(C)(C(=O)O)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CC(C)(C(=O)[O-])c1ccc([C@@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1	mol640	CC(C)(C(=O)O)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
7.53	Hunt	0	-1	CC(C)(C(=O)O)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,CC(C)(C(=O)[O-])c1ccc([C@@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1	CC(C)(C(=O)[O-])c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1	mol640	CC(C)(C(=O)O)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
7.52	Hunt	1	0	CC[NH+](CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1,CCN(CC)CCNC(=O)c1ccc([NH2+]S(C)(=O)=O)cc1	CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1	mol641	CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1
9.35	Hunt	0	-1	CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1	CCN(CC)CCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1	mol641	CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1
2.6	Hunt	2	1	Cn1c([S@@+]([O-])Cc2cccc[nH+]2)[nH+]c2ccccc21	Cn1c([S@@+]([O-])Cc2cccc[nH+]2)nc2ccccc21,Cn1c([S@@+]([O-])Cc2ccccn2)[nH+]c2ccccc21	mol642	Cn1c([S@@+]([O-])Cc2ccccn2)nc2ccccc21
8.8	Hunt	0	-1	[O-][S@@+](Cc1ccccn1)c1nc2ccccc2[nH]1	[O-][S@@+](Cc1ccccn1)c1nc2ccccc2[n-]1	mol643	[O-][S@@+](Cc1ccccn1)c1nc2ccccc2[nH]1
3.1	Hunt	2	1	[O-][S@@+](Cc1cccc[nH+]1)c1[nH]c2ccccc2[nH+]1	[O-][S@@+](Cc1cccc[nH+]1)c1nc2ccccc2[nH]1,[O-][S@@+](Cc1ccccn1)c1[nH]c2ccccc2[nH+]1	mol643	[O-][S@@+](Cc1ccccn1)c1nc2ccccc2[nH]1
4.2	Hunt	0	-1	CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1	CCOC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(Cl)cc(OC)n1	mol644	CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1
3.33	Hunt	0	-1	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)[O-])C[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc(O)c([O-])c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc([O-])c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O	mol645	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O
3.4	Hunt	0	-1	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1	COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)n1	mol646	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
4.72	Hunt	0	-1	COCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1	COCCOc1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(OC)nc(OC)n1	mol647	COCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1
4.36	Hunt	0	-1	CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,CCn1[nH+]c(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3	CCn1nc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3	mol368	CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
6.13	Hunt	1	0	O=C(O)c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O,O=C(O)c1cn(C2CC2)c2cc([NH+]3CCNCC3)c(F)cc2c1=O,O=C([O-])c1cn(C2CC2)c2cc([NH+]3CC[NH2+]CC3)c(F)cc2c1=O	O=C([O-])c1cn(C2CC2)c2cc([NH+]3CCNCC3)c(F)cc2c1=O,O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	mol47	O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
8.57	Hunt	0	-1	O=C([O-])c1cn(C2CC2)c2cc([NH+]3CCNCC3)c(F)cc2c1=O,O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	O=C([O-])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	mol47	O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
4.81	Hunt	0	-1	CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)OC)nn12	CCOc1nc(F)cc2nc(S(=O)(=O)[N-]c3c(Cl)cccc3C(=O)OC)nn12	mol648	CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)OC)nn12
15.8	Hunt	0	-1	C/C=C/CO	C/C=C/C[O-]	mol649	C/C=C/CO
3.5	Hunt	0	-1	O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1	O=C([O-])C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1	mol650	O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1
8.4	Hunt	0	-1	N[C@@H](CS)C(=O)O,[NH3+][C@@H](C[S-])C(=O)O,[NH3+][C@@H](CS)C(=O)[O-]	[NH3+][C@@H](C[S-])C(=O)[O-],N[C@@H](CS)C(=O)[O-],N[C@@H](C[S-])C(=O)O	mol651	N[C@@H](CS)C(=O)O
5.81	Hunt	1	0	C[NH+]1CC[NH+](c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1,C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1,CN1CC[NH+](c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1	CN1CC[NH+](c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1,CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1,C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1	mol652	CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1
7.39	Hunt	0	-1	CN1CC[NH+](c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1,CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1,C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1	CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1	mol652	CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1
8.7	Hunt	0	-1	[NH3+][C@@H](CCS)C(=O)[O-],[NH3+][C@@H](CC[S-])C(=O)O,N[C@@H](CCS)C(=O)O	N[C@@H](CCS)C(=O)[O-],N[C@@H](CC[S-])C(=O)O,[NH3+][C@@H](CC[S-])C(=O)[O-]	mol653	N[C@@H](CCS)C(=O)O
6.2	Hunt	1	0	CCn1cc(C(=O)O)c(=O)c2cc(F)c([NH+]3CCNCC3)nc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CC[NH2+]CC3)nc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)[nH+]c21,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)[nH+]c21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CCNCC3)[nH+]c21,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[NH2+]CC3)nc21	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CCNCC3)nc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)[nH+]c21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)nc21	mol654	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
8.76	Hunt	0	-1	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CCNCC3)nc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)[nH+]c21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)nc21	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)nc21	mol654	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
10.61	Hunt	0	-1	CCS	CC[S-]	mol655	CCS
14.98	Hunt	0	-1	CCOCCO	CCOCC[O-]	mol656	CCOCCO
5.28	Hunt	0	-1	CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	CCOc1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1	mol657	CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
6.53	Hunt	1	0	CCOC(=O)[C@@H]([NH3+])CS	CCOC(=O)[C@@H](N)CS,CCOC(=O)[C@@H]([NH3+])C[S-]	mol658	CCOC(=O)[C@@H](N)CS
7.95	Hunt	0	-1	CCOC(=O)CS	CCOC(=O)C[S-]	mol659	CCOC(=O)CS
10.13	Hunt	1	0	C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCCCC1	C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1	mol660	C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1
6.98	Hunt	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	mol661	C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1
4.37	Hunt	0	-1	COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(F)(F)F)n1	COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ncccc2C(F)(F)F)n1	mol662	COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(F)(F)F)n1
5.6	Hunt	1	0	C[NH+]1CC[NH+](c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)CC1,CN1CC[NH+](c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,C[NH+]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1	CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,C[NH+]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)CC1,CN1CC[NH+](c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)CC1	mol344	CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1
7.91	Hunt	0	-1	CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,C[NH+]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)CC1,CN1CC[NH+](c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)CC1	CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)CC1	mol344	CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1
1.9	Hunt	1	0	COc1[nH+]n(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C	COc1nn(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C	mol663	COc1nn(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C
10.48	Hunt	0	-1	O[C@@H](C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	[O-][C@@H](C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	mol664	O[C@@H](C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
10.52	Hunt	0	-1	OC(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	[O-]C(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	mol665	OC(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
5.3	Hunt	0	-1	OC(C(F)(F)F)(C(F)(F)F)C(F)(F)Cl	[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)Cl	mol666	OC(C(F)(F)F)(C(F)(F)F)C(F)(F)Cl
1.09	Hunt	0	-1	O=C(O)C1(O)c2ccccc2-c2ccccc21	O=C([O-])C1(O)c2ccccc2-c2ccccc21	mol667	O=C(O)C1(O)c2ccccc2-c2ccccc21
4.89	Hunt	0	-1	O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1	O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1	mol668	O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1
8.65	Hunt	0	-1	O=CNO	O=CN[O-]	mol669	O=CNO
8.89	Hunt	1	0	[NH3+]Cc1ccco1	NCc1ccco1	mol670	NCc1ccco1
6.05	Hunt	1	0	COc1c([NH+]2CC[NH2+][C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c(N2CC[NH2+][C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,COc1c([NH+]2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	COc1c([NH+]2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c(N2CC[NH2+][C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	mol671	COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
9.18	Hunt	0	-1	COc1c([NH+]2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c(N2CC[NH2+][C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	mol671	COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
6.36	Hunt	1	0	CO/[NH+]=C1\CN(c2[nH+]c3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN,CO/N=C1\C[NH+](c2[nH+]c3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN,CO/[NH+]=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN,CO/N=C1\CN(c2[nH+]c3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN,CO/[NH+]=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1C[NH3+],CO/N=C1\C[NH+](c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1C[NH3+],CO/[NH+]=C1\C[NH+](c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1C[NH3+],CO/N=C1\CN(c2[nH+]c3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1C[NH3+],CO/N=C1\C[NH+](c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN	CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN,CO/[NH+]=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN,CO/N=C1\CN(c2[nH+]c3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1C[NH3+],CO/N=C1\C[NH+](c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN	mol672	CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN
8.6	Hunt	0	-1	CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN,CO/[NH+]=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN,CO/N=C1\CN(c2[nH+]c3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1C[NH3+],CO/N=C1\C[NH+](c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN	CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@@H]1CN	mol672	CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN
4.0	Hunt	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-]	mol673	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
8.56	Hunt	-1	-2	[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-],N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)[O-],[NH3+][C@@H](CCC(=O)N[C@@H](C[S-])C(=O)NCC(=O)O)C(=O)[O-],[NH3+][C@@H](CCC(=O)N[C@@H](C[S-])C(=O)NCC(=O)[O-])C(=O)O,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)O,N[C@@H](CCC(=O)N[C@@H](C[S-])C(=O)NCC(=O)O)C(=O)O	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-],N[C@@H](CCC(=O)N[C@@H](C[S-])C(=O)NCC(=O)[O-])C(=O)O,[NH3+][C@@H](CCC(=O)N[C@@H](C[S-])C(=O)NCC(=O)[O-])C(=O)[O-],N[C@@H](CCC(=O)N[C@@H](C[S-])C(=O)NCC(=O)O)C(=O)[O-]	mol674	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
3.44	Hunt	0	-1	COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1	mol675	COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
2.9	Hunt	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-]	mol676	C[C@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O
9.3	Hunt	0	-1	OC(C(F)(F)F)C(F)(F)F	[O-]C(C(F)(F)F)C(F)(F)F	mol677	OC(C(F)(F)F)C(F)(F)F
9.75	Hunt	0	-1	CCCCCC(=O)NO	CCCCCC(=O)N[O-]	mol678	CCCCCC(=O)NO
8.8	Hunt	0	-1	O=C(CNC(=O)c1ccccc1)NO	O=C(CNC(=O)c1ccccc1)N[O-]	mol679	O=C(CNC(=O)c1ccccc1)NO
5.92	Hunt	0	-1	Cc1cc(O)no1	Cc1cc([O-])no1	mol680	Cc1cc(O)no1
4.42	Hunt	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
3.22	Hunt	0	-1	COC(=O)c1ccc(I)cc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1	mol681	COC(=O)c1ccc(I)cc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
6.07	Hunt	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
6.06	Hunt	1	0	C[C@H]1COc2c([NH+]3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23,C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,C[C@H]1COc2c([NH+]3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	C[C@H]1COc2c([NH+]3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23,C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23,C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	mol345	C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
8.14	Hunt	0	-1	C[C@H]1COc2c([NH+]3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23,C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23,C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	mol345	C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
5.82	Hunt	1	0	CCn1cc(C(=O)O)c(=O)c2cc(F)c([NH+]3CCN[C@H](C)C3)c(F)c21,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[NH2+][C@H](C)C3)c(F)c21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CC[NH2+][C@H](C)C3)c(F)c21	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+][C@H](C)C3)c(F)c21,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CCN[C@H](C)C3)c(F)c21	mol683	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21
8.87	Hunt	0	-1	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+][C@H](C)C3)c(F)c21,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CCN[C@H](C)C3)c(F)c21	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21	mol683	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21
3.78	Hunt	0	-1	Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O	Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[O-]	mol684	Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O
7.86	Hunt	0	-1	CC(=O)CS	CC(=O)C[S-]	mol685	CC(=O)CS
6.7	Hunt	0	-1	O=C1C[C@H](S)C(=O)N1	O=C1C[C@H]([S-])C(=O)N1	mol686	O=C1C[C@H](S)C(=O)N1
9.56	Hunt	1	0	COc1cc(CC[NH3+])cc(OC)c1OC	COc1cc(CCN)cc(OC)c1OC	mol687	COc1cc(CCN)cc(OC)c1OC
4.35	Hunt	0	-1	COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	COC(=O)c1ccc(C[N-]S(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1,COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1	mol688	COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
10.33	Hunt	0	-1	CS	C[S-]	mol689	CS
15.5	Hunt	0	-1	CO	C[O-]	mol690	CO
8.08	Hunt	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
3.8	Hunt	0	-1	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1	mol692	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
8.07	Hunt	0	-1	O=C(NO)c1cccc([N+](=O)[O-])c1	O=C(N[O-])c1cccc([N+](=O)[O-])c1	mol693	O=C(NO)c1cccc([N+](=O)[O-])c1
6.31	Hunt	1	0	COc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,COc1c([NH+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c([NH+]2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	COc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c([NH+]2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	mol343	COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
9.51	Hunt	0	-1	COc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c([NH+]2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12,COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	mol343	COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
9.9	Hunt	-1	-2	CC(=O)N[C@H](C(=O)[O-])C(C)(C)S,CC(=O)N[C@H](C(=O)O)C(C)(C)[S-]	CC(=O)N[C@H](C(=O)[O-])C(C)(C)[S-]	mol694	CC(=O)N[C@H](C(=O)O)C(C)(C)S
4.6	Hunt	0	-1	O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12	O=C([O-])c1ccccc1C(=O)Nc1cccc2ccccc12	mol695	O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12
9.48	Hunt	0	-1	CCCC(=O)NO	CCCC(=O)N[O-]	mol696	CCCC(=O)NO
6.5	Hunt	0	-1	O=C1c2ccccc2C(=O)N1O	O=C1c2ccccc2C(=O)N1[O-]	mol697	O=C1c2ccccc2C(=O)N1O
4.6	Hunt	0	-1	COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1	COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)n1	mol698	COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
8.05	Hunt	0	-1	CNC(=O)CS	CNC(=O)C[S-]	mol699	CNC(=O)CS
6.3	Hunt	1	0	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CC[NH2+]CC3)cc21,CCn1cc(C(=O)O)c(=O)c2cc(F)c([NH+]3CCNCC3)cc21	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CCNCC3)cc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21	mol48	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
8.38	Hunt	0	-1	O=C(c1ccccc1)N(O)c1ccccc1	O=C(c1ccccc1)N([O-])c1ccccc1	mol700	O=C(c1ccccc1)N(O)c1ccccc1
2.5	Hunt	0	-1	O=C(O)c1ccccc1C(=O)Nc1ccccc1	O=C([O-])c1ccccc1C(=O)Nc1ccccc1	mol701	O=C(O)c1ccccc1C(=O)Nc1ccccc1
6.64	Hunt	0	-1	Cc1ccccc1S	Cc1ccccc1[S-]	mol702	Cc1ccccc1S
5.1	Hunt	0	-1	Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1	Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC2COC2)n1	mol703	Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1
8.75	Hunt	0	-1	O=C(COc1ccc(Cl)cc1)NO	O=C(COc1ccc(Cl)cc1)N[O-]	mol704	O=C(COc1ccc(Cl)cc1)NO
6.28	Hunt	1	0	CCn1cc(C(=O)O)c(=O)c2cc(F)c([NH+]3CCN(C)CC3)cc21,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CC[NH+](C)CC3)cc21	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CCN(C)CC3)cc21	mol705	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
7.55	Hunt	0	-1	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,CCn1cc(C(=O)[O-])c(=O)c2cc(F)c([NH+]3CCN(C)CC3)cc21	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	mol705	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
7.9	Hunt	0	-1	CC(C)(S)[C@@H]([NH3+])C(=O)[O-],CC(C)(S)[C@@H](N)C(=O)O,CC(C)([S-])[C@@H]([NH3+])C(=O)O	CC(C)([S-])[C@@H]([NH3+])C(=O)[O-],CC(C)(S)[C@@H](N)C(=O)[O-],CC(C)([S-])[C@@H](N)C(=O)O	mol706	CC(C)(S)[C@@H](N)C(=O)O
4.62	Hunt	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
14.1	Hunt	0	-1	OCC(CO)(CO)CO	[O-]CC(CO)(CO)CO	mol708	OCC(CO)(CO)CO
8.2	Hunt	0	-1	CC(=O)OO	CC(=O)O[O-]	mol709	CC(=O)OO
7.1	Hunt	0	-1	O=COO	O=CO[O-]	mol710	O=COO
14.6	Hunt	0	-1	OCCOc1ccccc1	[O-]CCOc1ccccc1	mol711	OCCOc1ccccc1
2.79	Hunt	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-]	mol712	CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O
8.9	Hunt	0	-1	Cc1ccc(C(=O)NO)cc1	Cc1ccc(C(=O)N[O-])cc1	mol713	Cc1ccc(C(=O)NO)cc1
8.2	Hunt	0	-1	CCC(=O)OO	CCC(=O)O[O-]	mol714	CCC(=O)OO
3.76	Hunt	0	-1	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2CCC(F)(F)F)n1	COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2CCC(F)(F)F)n1	mol715	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2CCC(F)(F)F)n1
3.7	Hunt	0	-1	CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	CCOC(=O)c1cnn(C)c1S(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1	mol716	CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
2.34	Hunt	0	-1	COc1cc(OC)[nH+]c(Sc2cccc(Cl)c2C(=O)[O-])n1,COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O)n1	COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)[O-])n1	mol717	COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O)n1
4.0	Hunt	0	-1	CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1	mol718	CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
7.4	Hunt	0	-1	O=C(Nc1ccccc1)c1ccccc1O	O=C(Nc1ccccc1)c1ccccc1[O-]	mol719	O=C(Nc1ccccc1)c1ccccc1O
3.742	Hunt	0	-1	O=CO	O=C[O-]	mol720	O=CO
4.82	Hunt	0	-1	CCCC(=O)O	CCCC(=O)[O-]	mol721	CCCC(=O)O
4.74	Hunt	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
5.6	Hunt	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
7.84	Hunt	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
7.7	Hunt	0	-1	Oc1cccc(Cl)c1Cl	[O-]c1cccc(Cl)c1Cl	mol725	Oc1cccc(Cl)c1Cl
8.63	Hunt	0	-1	Oc1ccc(Cl)c(Cl)c1	[O-]c1ccc(Cl)c(Cl)c1	mol726	Oc1ccc(Cl)c(Cl)c1
7.84	Hunt	0	-1	Oc1ccc(Br)cc1Br	[O-]c1ccc(Br)cc1Br	mol727	Oc1ccc(Br)cc1Br
6.67	Hunt	0	-1	Oc1c(Br)cccc1Br	[O-]c1c(Br)cccc1Br	mol728	Oc1c(Br)cccc1Br
4.96	Hunt	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-]
6.69	Hunt	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
3.6	Hunt	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
3.39	Hunt	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
2.2	Hunt	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
5.6	Hunt	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
6.07	Hunt	0	-1	O=[N+]([O-])c1ccc(F)cc1O	O=[N+]([O-])c1ccc(F)cc1[O-]	mol735	O=[N+]([O-])c1ccc(F)cc1O
4.74	Hunt	0	-1	CCC/C=C(/C)C(=O)O	CCC/C=C(/C)C(=O)[O-]	mol736	CCC/C=C(/C)C(=O)O
3.17	Hunt	0	-1	O=C(O)COc1ccccc1	O=C([O-])COc1ccccc1	mol737	O=C(O)COc1ccccc1
2.3	Hunt	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
4.31	Hunt	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
4.23	Hunt	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
8.64	Hunt	0	-1	Cc1ccc([N+](=O)[O-])cc1O	Cc1ccc([N+](=O)[O-])cc1[O-]	mol741	Cc1ccc([N+](=O)[O-])cc1O
7.55	Hunt	0	-1	Cc1ccc(O)c([N+](=O)[O-])c1	Cc1ccc([O-])c([N+](=O)[O-])c1	mol742	Cc1ccc(O)c([N+](=O)[O-])c1
3.62	Hunt	0	-1	O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	mol743	O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
4.25	Hunt	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
2.35	Hunt	1	0	C[NH2+]CC(=O)O	CNCC(=O)O,C[NH2+]CC(=O)[O-]	mol745	CNCC(=O)O
10.18	Hunt	0	-1	CNCC(=O)O,C[NH2+]CC(=O)[O-]	CNCC(=O)[O-]	mol745	CNCC(=O)O
2.0	Hunt	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
4.34	Hunt	0	-1	O=C(O)CCCC(=O)O	O=C([O-])CCCC(=O)O	mol747	O=C(O)CCCC(=O)O
5.41	Hunt	-1	-2	O=C([O-])CCCC(=O)O	O=C([O-])CCCC(=O)[O-]	mol747	O=C(O)CCCC(=O)O
3.89	Hunt	0	-1	NC(=O)NCC(=O)O	NC(=O)NCC(=O)[O-]	mol748	NC(=O)NCC(=O)O
2.35	Hunt	1	0	C[C@H]([NH3+])C(=O)O	C[C@H]([NH3+])C(=O)[O-],C[C@H](N)C(=O)O	mol749	C[C@H](N)C(=O)O
10.0	Hunt	0	-1	C[C@H]([NH3+])C(=O)[O-],C[C@H](N)C(=O)O	C[C@H](N)C(=O)[O-]	mol749	C[C@H](N)C(=O)O
4.43	Hunt	0	-1	O=C(O)CCCCC(=O)O	O=C([O-])CCCCC(=O)O	mol750	O=C(O)CCCCC(=O)O
5.41	Hunt	0	-1	O=C(O)CCCCC(=O)O	O=C([O-])CCCCC(=O)O	mol750	O=C(O)CCCCC(=O)O
8.34	Hunt	0	-1	CCOC(=O)c1ccc(O)cc1	CCOC(=O)c1ccc([O-])cc1	mol751	CCOC(=O)c1ccc(O)cc1
4.41	Hunt	0	-1	COc1cc(CC(=O)O)ccc1O	COc1cc(CC(=O)O)ccc1[O-],COc1cc(CC(=O)[O-])ccc1O	mol752	COc1cc(CC(=O)O)ccc1O
3.1	Hunt	0	-1	C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O	C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-]	mol753	C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O
2.29	Hunt	1	0	CC(C)[C@H]([NH3+])C(=O)O	CC(C)[C@H](N)C(=O)O,CC(C)[C@H]([NH3+])C(=O)[O-]	mol754	CC(C)[C@H](N)C(=O)O
9.74	Hunt	0	-1	CC(C)[C@H](N)C(=O)O,CC(C)[C@H]([NH3+])C(=O)[O-]	CC(C)[C@H](N)C(=O)[O-]	mol754	CC(C)[C@H](N)C(=O)O
3.15	Hunt	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
6.06	Hunt	-1	-2	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
10.62	Hunt	0	-1	CC(C)(C)c1ccccc1O	CC(C)(C)c1ccccc1[O-]	mol756	CC(C)(C)c1ccccc1O
10.23	Hunt	0	-1	CC(C)(C)c1ccc(O)cc1	CC(C)(C)c1ccc([O-])cc1	mol757	CC(C)(C)c1ccc(O)cc1
10.62	Hunt	0	-1	Cc1ccc(C(C)C)c(O)c1	Cc1ccc(C(C)C)c([O-])c1	mol758	Cc1ccc(C(C)C)c(O)c1
3.08	Hunt	0	-1	O=C(O)COc1ccccc1F	O=C([O-])COc1ccccc1F	mol759	O=C(O)COc1ccccc1F
3.07	Hunt	0	-1	O=C(O)COc1cccc(F)c1	O=C([O-])COc1cccc(F)c1	mol760	O=C(O)COc1cccc(F)c1
3.56	Hunt	0	-1	O=C(O)COc1ccc(F)cc1	O=C([O-])COc1ccc(F)cc1	mol761	O=C(O)COc1ccc(F)cc1
11.5	Hunt	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
2.64	Hunt	0	-1	O=C(O)COc1ccc(Cl)cc1Cl	O=C([O-])COc1ccc(Cl)cc1Cl	mol11	O=C(O)COc1ccc(Cl)cc1Cl
4.07	Hunt	0	-1	COC(=O)[C@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1	COC(=O)[C@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1	mol763	COC(=O)[C@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1
5.2	Hunt	1	0	CC(=O)[C@H]([NH3+])C(=O)OCc1ccccc1	CC(=O)[C@H](N)C(=O)OCc1ccccc1	mol764	CC(=O)[C@H](N)C(=O)OCc1ccccc1
9.5	Hunt	0	-1	C[S@+]([O-])c1cccc(C(C)(C)C)c1O	C[S@+]([O-])c1cccc(C(C)(C)C)c1[O-]	mol765	C[S@+]([O-])c1cccc(C(C)(C)C)c1O
2.94	Hunt	0	-1	CCCCP(=O)(CCCC)[C@@](C)(O)C(=O)O	CCCCP(=O)(CCCC)[C@@](C)(O)C(=O)[O-]	mol766	CCCCP(=O)(CCCC)[C@@](C)(O)C(=O)O
3.75	Hunt	1	0	C[N+](C)(C)c1ccc(CC(=O)O)cc1	C[N+](C)(C)c1ccc(CC(=O)[O-])cc1	mol767	C[N+](C)(C)c1ccc(CC(=O)O)cc1
9.57	Hunt	1	0	C[N+](C)(C)CCc1ccccc1O	C[N+](C)(C)CCc1ccccc1[O-]	mol768	C[N+](C)(C)CCc1ccccc1O
7.56	Hunt	-1	-2	[O-]c1ccccc1-c1ccccc1O	[O-]c1ccccc1-c1ccccc1[O-]	mol769	Oc1ccccc1-c1ccccc1O
8.75	Hunt	0	-1	COC(=O)c1cc(O)c2ccccc2c1	COC(=O)c1cc([O-])c2ccccc2c1	mol770	COC(=O)c1cc(O)c2ccccc2c1
4.31	Hunt	0	-1	COc1ccc(C(=O)O)c2ccccc12	COc1ccc(C(=O)[O-])c2ccccc12	mol771	COc1ccc(C(=O)O)c2ccccc12
4.54	Hunt	0	-1	C/C(=C\C(=O)O)c1cc(C)cc(C)c1O	C/C(=C\C(=O)O)c1cc(C)cc(C)c1[O-],C/C(=C\C(=O)[O-])c1cc(C)cc(C)c1O	mol772	C/C(=C\C(=O)O)c1cc(C)cc(C)c1O
4.46	Hunt	0	-1	COC(=O)[C@](C)(CC(=O)O)c1ccccc1	COC(=O)[C@](C)(CC(=O)[O-])c1ccccc1	mol773	COC(=O)[C@](C)(CC(=O)O)c1ccccc1
4.8	Hunt	0	-1	C[C@@H](CCCC(=O)O)c1ccccc1	C[C@@H](CCCC(=O)[O-])c1ccccc1	mol774	C[C@@H](CCCC(=O)O)c1ccccc1
12.04	Hunt	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
11.25	Hunt	0	-1	CCCc1cccc(CCC)c1O	CCCc1cccc(CCC)c1[O-]	mol776	CCCc1cccc(CCC)c1O
10.85	Hunt	0	-1	CCc1cc(C(C)C)c(C)cc1O	CCc1cc(C(C)C)c(C)cc1[O-]	mol777	CCc1cc(C(C)C)c(C)cc1O
10.01	Hunt	0	-1	CCc1cc(C(C)C)c(O)cc1C	CCc1cc(C(C)C)c([O-])cc1C	mol778	CCc1cc(C(C)C)c(O)cc1C
10.66	Hunt	0	-1	CCCCCCc1ccccc1O	CCCCCCc1ccccc1[O-]	mol779	CCCCCCc1ccccc1O
5.3	Hunt	0	-1	CCCCCCCCCCCC(=O)O	CCCCCCCCCCCC(=O)[O-]	mol780	CCCCCCCCCCCC(=O)O
3.848	Hunt	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
10.96	Hunt	0	-1	Oc1ccccc1-c1ccc(Br)cc1	[O-]c1ccccc1-c1ccc(Br)cc1	mol782	Oc1ccccc1-c1ccc(Br)cc1
10.92	Hunt	0	-1	Oc1ccccc1-c1ccc(I)cc1	[O-]c1ccccc1-c1ccc(I)cc1	mol783	Oc1ccccc1-c1ccc(I)cc1
10.42	Hunt	0	-1	O=[N+]([O-])c1ccc(-c2ccccc2O)cc1	O=[N+]([O-])c1ccc(-c2ccccc2[O-])cc1	mol784	O=[N+]([O-])c1ccc(-c2ccccc2O)cc1
6.74	Hunt	0	-1	O=[N+]([O-])c1ccc(-c2ccccc2)cc1O	O=[N+]([O-])c1ccc(-c2ccccc2)cc1[O-]	mol785	O=[N+]([O-])c1ccc(-c2ccccc2)cc1O
6.73	Hunt	0	-1	O=[N+]([O-])c1cc(-c2ccccc2)ccc1O	O=[N+]([O-])c1cc(-c2ccccc2)ccc1[O-]	mol786	O=[N+]([O-])c1cc(-c2ccccc2)ccc1O
7.8	Hunt	0	-1	[O-]c1ccccc1/N=[NH+]/c1ccccc1O,[O-]c1ccccc1/[NH+]=[NH+]/c1ccccc1[O-],Oc1ccccc1/N=N/c1ccccc1O,[O-]c1ccccc1/[NH+]=N/c1ccccc1O	[O-]c1ccccc1/N=N/c1ccccc1O,[O-]c1ccccc1/N=[NH+]/c1ccccc1[O-]	mol787	Oc1ccccc1/N=N/c1ccccc1O
9.56	Hunt	0	-1	CCc1cc2c(O)ccc(CC)c2s1	CCc1cc2c([O-])ccc(CC)c2s1	mol788	CCc1cc2c(O)ccc(CC)c2s1
3.758	Hunt	0	-1	CC(C)(C)c1ccc(SCC(=O)O)cc1	CC(C)(C)c1ccc(SCC(=O)[O-])cc1	mol789	CC(C)(C)c1ccc(SCC(=O)O)cc1
2.773	Hunt	0	-1	CC(C)(C)c1ccc([S@@+]([O-])CC(=O)O)cc1	CC(C)(C)c1ccc([S@@+]([O-])CC(=O)[O-])cc1	mol790	CC(C)(C)c1ccc([S@@+]([O-])CC(=O)O)cc1
7.5	Hunt	0	-1	O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2)c1	O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	mol792	O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2)c1
6.94	Hunt	0	-1	O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2)c1	O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccccc2)c1	mol793	O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2)c1
6.2	Hunt	0	-1	O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1	O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	mol794	O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1
8.31	Hunt	0	-1	O=S(=O)(Nc1ccccc1)c1ccccc1	O=S(=O)([N-]c1ccccc1)c1ccccc1	mol795	O=S(=O)(Nc1ccccc1)c1ccccc1
9.78	Hunt	1	0	C[N+](C)(C)CCCc1ccccc1O	C[N+](C)(C)CCCc1ccccc1[O-]	mol796	C[N+](C)(C)CCCc1ccccc1O
9.64	Hunt	1	0	C[N+](C)(C)CCCc1cccc(O)c1	C[N+](C)(C)CCCc1cccc([O-])c1	mol797	C[N+](C)(C)CCCc1cccc(O)c1
7.98	Hunt	0	-1	O=S(=O)(Nc1ccccc1)c1ccc(Cl)cc1	O=S(=O)([N-]c1ccccc1)c1ccc(Cl)cc1	mol798	O=S(=O)(Nc1ccccc1)c1ccc(Cl)cc1
7.93	Hunt	0	-1	O=S(=O)(Nc1ccc(Cl)cc1)c1ccccc1	O=S(=O)([N-]c1ccc(Cl)cc1)c1ccccc1	mol799	O=S(=O)(Nc1ccc(Cl)cc1)c1ccccc1
11.38	Hunt	0	-1	COc1ccc(-c2ccccc2O)cc1	COc1ccc(-c2ccccc2[O-])cc1	mol800	COc1ccc(-c2ccccc2O)cc1
7.5	Hunt	0	-1	Oc1ccccc1Cc1ccccc1O	[O-]c1ccccc1Cc1ccccc1O	mol801	Oc1ccccc1Cc1ccccc1O
7.55	Hunt	0	-1	Oc1ccc(Cc2ccc(O)cc2)cc1	[O-]c1ccc(Cc2ccc(O)cc2)cc1	mol802	Oc1ccc(Cc2ccc(O)cc2)cc1
8.89	Hunt	0	-1	CCOC(=O)c1cc(O)cc2ccccc12	CCOC(=O)c1cc([O-])cc2ccccc12	mol803	CCOC(=O)c1cc(O)cc2ccccc12
4.02	Hunt	0	-1	O=C(O)c1ccc([C@@]23CCC[C@@H]2C3)cc1	O=C([O-])c1ccc([C@@]23CCC[C@@H]2C3)cc1	mol804	O=C(O)c1ccc([C@@]23CCC[C@@H]2C3)cc1
9.94	Hunt	0	-1	CCc1ccc(O)c2c(CC)c(C)oc12	CCc1ccc([O-])c2c(CC)c(C)oc12	mol805	CCc1ccc(O)c2c(CC)c(C)oc12
4.39	Hunt	0	-1	O=C(O)c1ccc(C2CCCCC2)cc1	O=C([O-])c1ccc(C2CCCCC2)cc1	mol806	O=C(O)c1ccc(C2CCCCC2)cc1
4.65	Hunt	0	-1	COC(=O)C[C@](C)(Cc1ccccc1)C(=O)O	COC(=O)C[C@](C)(Cc1ccccc1)C(=O)[O-]	mol807	COC(=O)C[C@](C)(Cc1ccccc1)C(=O)O
4.18	Hunt	0	-1	CC[C@](CC(=O)OC)(C(=O)O)c1ccccc1	CC[C@](CC(=O)OC)(C(=O)[O-])c1ccccc1	mol808	CC[C@](CC(=O)OC)(C(=O)O)c1ccccc1
4.46	Hunt	0	-1	CC[C@@](CC(=O)O)(C(=O)OC)c1ccccc1	CC[C@@](CC(=O)[O-])(C(=O)OC)c1ccccc1	mol809	CC[C@@](CC(=O)O)(C(=O)OC)c1ccccc1
5.57	Hunt	0	-1	COC(=O)[C@@H]([C@H](C(=O)O)C(C)(C)C)C(C)(C)C	COC(=O)[C@@H]([C@H](C(=O)[O-])C(C)(C)C)C(C)(C)C	mol810	COC(=O)[C@@H]([C@H](C(=O)O)C(C)(C)C)C(C)(C)C
1.42	Hunt	0	-1	O=C(O)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F	O=C([O-])c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F	mol811	O=C(O)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
2.3	Hunt	0	-1	O=C(O)c1cc(/N=[NH+]/c2ccccc2)ccc1[O-],O=C([O-])c1cc(/N=[NH+]/c2ccccc2)ccc1O,O=C([O-])c1cc(/[NH+]=[NH+]/c2ccccc2)ccc1[O-],O=C([O-])c1cc(/[NH+]=N/c2ccccc2)ccc1O,O=C(O)c1cc(/[NH+]=N/c2ccccc2)ccc1[O-],O=C(O)c1cc(/N=N/c2ccccc2)ccc1O	O=C([O-])c1cc(/N=[NH+]/c2ccccc2)ccc1[O-],O=C([O-])c1cc(/N=N/c2ccccc2)ccc1O,O=C(O)c1cc(/N=N/c2ccccc2)ccc1[O-],O=C([O-])c1cc(/[NH+]=N/c2ccccc2)ccc1[O-]	mol812	O=C(O)c1cc(/N=N/c2ccccc2)ccc1O
3.12	Hunt	1	0	O=C(O)c1ccccc1/[NH+]=N/c1ccc(O)c(O)c1,O=C(O)c1ccccc1/[NH+]=[NH+]/c1ccc([O-])c(O)c1,O=C(O)c1ccccc1/[NH+]=[NH+]/c1ccc(O)c([O-])c1,O=C([O-])c1ccccc1/[NH+]=[NH+]/c1ccc(O)c(O)c1,O=C(O)c1ccccc1/N=[NH+]/c1ccc(O)c(O)c1	O=C(O)c1ccccc1/[NH+]=N/c1ccc([O-])c(O)c1,O=C([O-])c1ccccc1/N=[NH+]/c1ccc(O)c(O)c1,O=C(O)c1ccccc1/N=[NH+]/c1ccc(O)c([O-])c1,O=C([O-])c1ccccc1/[NH+]=[NH+]/c1ccc(O)c([O-])c1,O=C(O)c1ccccc1/[NH+]=[NH+]/c1ccc([O-])c([O-])c1,O=C([O-])c1ccccc1/[NH+]=N/c1ccc(O)c(O)c1,O=C([O-])c1ccccc1/[NH+]=[NH+]/c1ccc([O-])c(O)c1,O=C(O)c1ccccc1/[NH+]=N/c1ccc(O)c([O-])c1,O=C(O)c1ccccc1/N=[NH+]/c1ccc([O-])c(O)c1,O=C(O)c1ccccc1/N=N/c1ccc(O)c(O)c1	mol813	O=C(O)c1ccccc1/N=N/c1ccc(O)c(O)c1
10.6	Hunt	0	-1	S=C(Nc1ccccc1)c1ccccc1	S=C([N-]c1ccccc1)c1ccccc1	mol814	S=C(Nc1ccccc1)c1ccccc1
3.7	Hunt	0	-1	CC[C@@](CC(=O)OC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O	CC[C@@](CC(=O)OC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	mol815	CC[C@@](CC(=O)OC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O
4.4	Hunt	0	-1	COC(=O)C[C@](C)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O	COC(=O)C[C@](C)(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	mol816	COC(=O)C[C@](C)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O
4.29	Hunt	0	-1	CC[C@@](CC(=O)O)(C(=O)OC)c1ccc([N+](=O)[O-])cc1	CC[C@@](CC(=O)[O-])(C(=O)OC)c1ccc([N+](=O)[O-])cc1	mol817	CC[C@@](CC(=O)O)(C(=O)OC)c1ccc([N+](=O)[O-])cc1
2.5	Hunt	0	-1	O=C([O-])c1cc(/[NH+]=N/c2ccc(Cl)cc2)ccc1O,O=C(O)c1cc(/N=N/c2ccc(Cl)cc2)ccc1O,O=C(O)c1cc(/[NH+]=N/c2ccc(Cl)cc2)ccc1[O-],O=C([O-])c1cc(/[NH+]=[NH+]/c2ccc(Cl)cc2)ccc1[O-],O=C([O-])c1cc(/N=[NH+]/c2ccc(Cl)cc2)ccc1O,O=C(O)c1cc(/N=[NH+]/c2ccc(Cl)cc2)ccc1[O-]	O=C([O-])c1cc(/N=[NH+]/c2ccc(Cl)cc2)ccc1[O-],O=C(O)c1cc(/N=N/c2ccc(Cl)cc2)ccc1[O-],O=C([O-])c1cc(/N=N/c2ccc(Cl)cc2)ccc1O,O=C([O-])c1cc(/[NH+]=N/c2ccc(Cl)cc2)ccc1[O-]	mol818	O=C(O)c1cc(/N=N/c2ccc(Cl)cc2)ccc1O
8.46	Hunt	0	-1	Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1	Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	mol819	Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1
8.64	Hunt	0	-1	Cc1ccc(NS(=O)(=O)c2ccccc2)cc1	Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	mol820	Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
8.66	Hunt	0	-1	COc1ccc(S(=O)(=O)Nc2ccccc2)cc1	COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	mol821	COc1ccc(S(=O)(=O)Nc2ccccc2)cc1
8.7	Hunt	0	-1	COc1ccc(NS(=O)(=O)c2ccccc2)cc1	COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	mol822	COc1ccc(NS(=O)(=O)c2ccccc2)cc1
9.9	Hunt	-1	-2	O=C1c2ccccc2C(=O)c2c(O)ccc([O-])c21	O=C1c2ccccc2C(=O)c2c([O-])ccc([O-])c21	mol823	O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21
9.49	Hunt	-1	-2	O=C1c2cccc(O)c2C(=O)c2cccc([O-])c21	O=C1c2cccc([O-])c2C(=O)c2cccc([O-])c21	mol824	O=C1c2cccc(O)c2C(=O)c2cccc(O)c21
8.3	Hunt	0	-1	O=C1c2cccc(O)c2C(=O)c2c(O)cccc21	O=C1c2cccc([O-])c2C(=O)c2c(O)cccc21	mol825	O=C1c2cccc(O)c2C(=O)c2c(O)cccc21
6.22	Hunt	0	-1	O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21	O=C1c2ccc(O)cc2C(=O)c2ccc([O-])cc21	mol826	O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21
3.536	Hunt	0	-1	O=C(O)c1ccccc1C(=O)c1ccccc1	O=C([O-])c1ccccc1C(=O)c1ccccc1	mol827	O=C(O)c1ccccc1C(=O)c1ccccc1
10.91	Hunt	0	-1	CC(=O)c1cccc(-c2ccccc2O)c1	CC(=O)c1cccc(-c2ccccc2[O-])c1	mol828	CC(=O)c1cccc(-c2ccccc2O)c1
11.39	Hunt	0	-1	CCOc1ccc(-c2ccccc2O)cc1	CCOc1ccc(-c2ccccc2[O-])cc1	mol829	CCOc1ccc(-c2ccccc2O)cc1
4.16	Hunt	0	-1	O=C(O)c1ccc([C@@]23CCCC[C@@H]2C3)cc1	O=C([O-])c1ccc([C@@]23CCCC[C@@H]2C3)cc1	mol830	O=C(O)c1ccc([C@@]23CCCC[C@@H]2C3)cc1
10.29	Hunt	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
2.12	Hunt	1	0	Cc1ccccc1/[NH+]=[NH+]/c1ccc([O-])c(C(=O)O)c1,Cc1ccccc1/[NH+]=[NH+]/c1ccc(O)c(C(=O)[O-])c1,Cc1ccccc1/N=[NH+]/c1ccc(O)c(C(=O)O)c1,Cc1ccccc1/[NH+]=N/c1ccc(O)c(C(=O)O)c1	Cc1ccccc1/[NH+]=[NH+]/c1ccc([O-])c(C(=O)[O-])c1,Cc1ccccc1/N=[NH+]/c1ccc(O)c(C(=O)[O-])c1,Cc1ccccc1/[NH+]=N/c1ccc([O-])c(C(=O)O)c1,Cc1ccccc1/N=[NH+]/c1ccc([O-])c(C(=O)O)c1,Cc1ccccc1/[NH+]=N/c1ccc(O)c(C(=O)[O-])c1,Cc1ccccc1/N=N/c1ccc(O)c(C(=O)O)c1	mol832	Cc1ccccc1/N=N/c1ccc(O)c(C(=O)O)c1
3.62	Hunt	0	-1	O=C(O)CP(=O)(c1ccccc1)c1ccccc1	O=C([O-])CP(=O)(c1ccccc1)c1ccccc1	mol833	O=C(O)CP(=O)(c1ccccc1)c1ccccc1
0.4	Hunt	0	-1	Cc1ccc(OP(=O)(O)Oc2ccc(C)cc2)cc1	Cc1ccc(OP(=O)([O-])Oc2ccc(C)cc2)cc1	mol834	Cc1ccc(OP(=O)(O)Oc2ccc(C)cc2)cc1
8.15	Hunt	0	-1	O=C(c1cccc(C(F)(F)F)c1)N(O)c1ccccc1	O=C(c1cccc(C(F)(F)F)c1)N([O-])c1ccccc1	mol835	O=C(c1cccc(C(F)(F)F)c1)N(O)c1ccccc1
3.644	Hunt	0	-1	Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1	Cc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1	mol836	Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1
8.05	Hunt	0	-1	CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O	CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1[O-]	mol837	CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O
12.23	Hunt	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
11.59	Hunt	0	-1	CCCc1cc(CCC)c(O)c(CCC)c1	CCCc1cc(CCC)c([O-])c(CCC)c1	mol839	CCCc1cc(CCC)c(O)c(CCC)c1
9.1	Hunt	0	-1	Oc1ccc(/N=N/c2ccccn2)c2ccccc12,[O-]c1ccc(/N=N/c2cccc[nH+]2)c2ccccc12,[O-]c1ccc(/N=[NH+]/c2ccccn2)c2ccccc12,[O-]c1ccc(/[NH+]=N/c2ccccn2)c2ccccc12	[O-]c1ccc(/N=N/c2ccccn2)c2ccccc12	mol840	Oc1ccc(/N=N/c2ccccn2)c2ccccc12
8.46	Hunt	0	-1	Cc1ccccc1N(O)C(=O)Cc1ccccc1	Cc1ccccc1N([O-])C(=O)Cc1ccccc1	mol841	Cc1ccccc1N(O)C(=O)Cc1ccccc1
8.44	Hunt	0	-1	COc1ccc(C(=O)N(O)c2ccccc2C)cc1	COc1ccc(C(=O)N([O-])c2ccccc2C)cc1	mol842	COc1ccc(C(=O)N(O)c2ccccc2C)cc1
2.85	Hunt	0	-1	CCCC[C@@H](CC)COP(=O)(O)OC[C@H](CC)CCCC	CCCC[C@@H](CC)COP(=O)([O-])OC[C@H](CC)CCCC	mol843	CCCC[C@@H](CC)COP(=O)(O)OC[C@H](CC)CCCC
9.5	Hunt	0	-1	CCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	CCOC(=O)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1	mol844	CCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
6.9	Hunt	1	0	CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1	CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	mol845	CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1
10.66	Hunt	1	0	C[NH3+]	CN	mol846	CN
10.18	Hunt	1	0	CCO[Si](C)(C)C[NH3+]	CCO[Si](C)(C)CN	mol847	CCO[Si](C)(C)CN
8.34	Hunt	1	0	CCO[Si](C[NH3+])(OCC)OCC	CCO[Si](CN)(OCC)OCC	mol848	CCO[Si](CN)(OCC)OCC
10.96	Hunt	1	0	C[Si](C)(C)C[NH3+]	C[Si](C)(C)CN	mol849	C[Si](C)(C)CN
0.46	Hunt	1	0	C[NH+](C)Cl	CN(C)Cl	mol850	CN(C)Cl
9.8	Hunt	1	0	C[NH+](C)C	CN(C)C	mol174	CN(C)C
10.73	Hunt	1	0	C[NH2+]C	CNC	mol851	CNC
9.04	Hunt	1	0	CC[NH+](CC)CCC(C)=O	CCN(CC)CCC(C)=O	mol852	CCN(CC)CCC(C)=O
8.4	Hunt	1	0	CC(=O)CC[NH+](C)C	CC(=O)CCN(C)C	mol212	CC(=O)CCN(C)C
10.7	Hunt	1	0	CC[NH3+]	CCN	mol171	CCN
8.49	Hunt	1	0	[NH3+]CCBr	NCCBr	mol853	NCCBr
9.51	Hunt	1	0	[NH3+]CCO	NCCO	mol854	NCCO
9.49	Hunt	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
10.97	Hunt	1	0	C[Si](C)(C)CC[NH3+]	C[Si](C)(C)CCN	mol856	C[Si](C)(C)CCN
9.4	Hunt	1	0	CC[NH+](CC)CCC(=O)Cc1ccccc1	CCN(CC)CCC(=O)Cc1ccccc1	mol857	CCN(CC)CCC(=O)Cc1ccccc1
8.3	Hunt	1	0	C[NH+](C)CCC(=O)Cc1ccccc1	CN(C)CCC(=O)Cc1ccccc1	mol858	CN(C)CCC(=O)Cc1ccccc1
6.55	Hunt	1	0	CC[NH+](CCCl)CCCl	CCN(CCCl)CCCl	mol859	CCN(CCCl)CCCl
9.55	Hunt	1	0	CCN(CC)CC[NH+](CC)CC	CCN(CC)CCN(CC)CC	mol860	CCN(CC)CCN(CC)CC
6.18	Hunt	2	1	CC[NH+](CC)CC[NH+](CC)CC	CCN(CC)CC[NH+](CC)CC	mol860	CCN(CC)CCN(CC)CC
9.1	Hunt	1	0	CC(=O)OCC[NH3+]	CC(=O)OCCN	mol861	CC(=O)OCCN
9.1	Hunt	1	0	CN(C)CC[NH+](C)C	CN(C)CCN(C)C	mol862	CN(C)CCN(C)C
5.7	Hunt	2	1	C[NH+](C)CC[NH+](C)C	CN(C)CC[NH+](C)C	mol862	CN(C)CCN(C)C
8.64	Hunt	1	0	C[NH+](C)CCO[C@@H](c1ccccc1)c1ccc(Br)cc1	CN(C)CCO[C@@H](c1ccccc1)c1ccc(Br)cc1	mol863	CN(C)CCO[C@@H](c1ccccc1)c1ccc(Br)cc1
4.37	Hunt	1	0	ClCC[NH+](CCCl)CCCl	ClCCN(CCCl)CCCl	mol864	ClCCN(CCCl)CCCl
8.8	Hunt	1	0	CC[NH+](CC)CCCl	CCN(CC)CCCl	mol865	CCN(CC)CCCl
7.48	Hunt	1	0	C[NH+](CCO)CCCl	CN(CCO)CCCl	mol866	CN(CCO)CCCl
9.55	Hunt	1	0	CC[NH2+]CCC(=O)C(c1ccccc1)c1ccccc1	CCNCCC(=O)C(c1ccccc1)c1ccccc1	mol867	CCNCCC(=O)C(c1ccccc1)c1ccccc1
10.2	Hunt	1	0	CC[NH+](C)C	CCN(C)C	mol178	CCN(C)C
9.0	Hunt	1	0	C[NH+](C)CCO	CN(C)CCO	mol191	CN(C)CCO
10.98	Hunt	1	0	CC[NH2+]CC	CCNCC	mol868	CCNCC
7.762	Hunt	1	0	OCC[NH+](CCO)CCO	OCCN(CCO)CCO	mol869	OCCN(CCO)CCO
8.883	Hunt	1	0	OCC[NH2+]CCO	OCCNCCO	mol870	OCCNCCO
8.52	Hunt	1	0	C[NH+](CCO)CCO	CN(CCO)CCO	mol871	CN(CCO)CCO
3.97	Hunt	0	-1	O=C(O)c1ccc(Br)cc1	O=C([O-])c1ccc(Br)cc1	mol872	O=C(O)c1ccc(Br)cc1
10.69	Hunt	1	0	CCC[NH3+]	CCCN	mol873	CCCN
10.63	Hunt	1	0	CC(C)[NH3+]	CC(C)N	mol874	CC(C)N
8.93	Hunt	1	0	[NH3+]CCCBr	NCCCBr	mol875	NCCCBr
8.801	Hunt	1	0	CC([NH3+])(CO)CO	CC(N)(CO)CO	mol876	CC(N)(CO)CO
10.15	Hunt	1	0	CC(C)(C)C[NH3+]	CC(C)(C)CN	mol877	CC(C)(C)CN
9.96	Hunt	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
3.14	Hunt	0	-1	N#Cc1ccccc1C(=O)O	N#Cc1ccccc1C(=O)[O-]	mol879	N#Cc1ccccc1C(=O)O
9.43	Hunt	1	0	C[C@H]([NH3+])CO	C[C@H](N)CO	mol880	C[C@H](N)CO
9.65	Hunt	1	0	[NH3+]CCC(Cl)(Cl)Cl	NCCC(Cl)(Cl)Cl	mol881	NCCC(Cl)(Cl)Cl
3.598	Hunt	0	-1	N#Cc1cccc(C(=O)O)c1	N#Cc1cccc(C(=O)[O-])c1	mol882	N#Cc1cccc(C(=O)O)c1
6.68	Hunt	1	0	CCC[NH+](CCCl)CCCl	CCCN(CCCl)CCCl	mol883	CCCN(CCCl)CCCl
10.18	Hunt	1	0	CCN(CC)CCC[NH+](CC)CC	CCN(CC)CCCN(CC)CC	mol884	CCN(CC)CCCN(CC)CC
8.2	Hunt	2	1	CC[NH+](CC)CCC[NH+](CC)CC	CCN(CC)CCC[NH+](CC)CC	mol884	CCN(CC)CCCN(CC)CC
9.4	Hunt	1	0	C[C@@H](O)C[NH+](C[C@@H](C)O)C(C)(C)C	C[C@@H](O)CN(C[C@@H](C)O)C(C)(C)C	mol885	C[C@@H](O)CN(C[C@@H](C)O)C(C)(C)C
10.88	Hunt	0	-1	C[C@H](CCC(C(=O)[O-])(c1ccccc1)c1ccccc1)[NH+](C)C,C[C@H](CCC(C(=O)O)(c1ccccc1)c1ccccc1)N(C)C	C[C@H](CCC(C(=O)[O-])(c1ccccc1)c1ccccc1)N(C)C	mol886	C[C@H](CCC(C(=O)O)(c1ccccc1)c1ccccc1)N(C)C
9.08	Hunt	1	0	CC[NH+](CC)CCC(C#N)(c1ccccc1)c1ccccc1	CCN(CC)CCC(C#N)(c1ccccc1)c1ccccc1	mol887	CCN(CC)CCC(C#N)(c1ccccc1)c1ccccc1
4.21	Hunt	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
10.22	Hunt	2	1	CC(C)(C[NH3+])C[NH3+]	CC(C)(CN)C[NH3+]	mol889	CC(C)(CN)CN
8.18	Hunt	2	1	CC(C)(C[NH3+])C[NH3+]	CC(C)(CN)C[NH3+]	mol889	CC(C)(CN)CN
10.32	Hunt	1	0	CC(C)C[NH+](CC(C)C)CC(C)C	CC(C)CN(CC(C)C)CC(C)C	mol890	CC(C)CN(CC(C)C)CC(C)C
3.42	Hunt	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
10.2	Hunt	1	0	CCC[NH+](C)C	CCCN(C)C	mol188	CCCN(C)C
10.47	Hunt	1	0	CC(C)[NH+](C)C	CC(C)N(C)C	mol892	CC(C)N(C)C
9.35	Hunt	1	0	C[NH+](C)CCC(c1ccccc1)c1ccccc1	CN(C)CCC(c1ccccc1)c1ccccc1	mol893	CN(C)CCC(c1ccccc1)c1ccccc1
9.87	Hunt	1	0	CCOC(=O)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1	CCOC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1	mol894	CCOC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1
10.12	Hunt	1	0	CCOC(=O)C(C[C@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1	CCOC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1	mol895	CCOC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
9.18	Hunt	1	0	CCC(=O)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1	CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1	mol896	CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1
10.26	Hunt	1	0	CCC[NH+](CCC)CCC	CCCN(CCC)CCC	mol897	CCCN(CCC)CCC
9.4	Hunt	1	0	C[C@@H](O)C[NH2+]CCO	C[C@@H](O)CNCCO	mol898	C[C@@H](O)CNCCO
10.0	Hunt	1	0	CC(C)[NH2+]C[C@@H](C)O	CC(C)NC[C@@H](C)O	mol899	CC(C)NC[C@@H](C)O
10.96	Hunt	1	0	CC(C)[NH2+]C(C)C	CC(C)NC(C)C	mol900	CC(C)NC(C)C
11.0	Hunt	1	0	CCC[NH2+]CCC	CCCNCCC	mol901	CCCNCCC
9.29	Hunt	1	0	C=CC[NH2+]CC=C	C=CCNCC=C	mol902	C=CCNCC=C
8.79	Hunt	1	0	C=CC[NH+](C)CC=C	C=CCN(C)CC=C	mol903	C=CCN(C)CC=C
10.11	Hunt	1	0	C=CC[NH2+]C	C=CCNC	mol904	C=CCNC
8.15	Hunt	1	0	C#CC[NH3+]	C#CCN	mol905	C#CCN
9.6	Hunt	1	0	CC(=O)CCCC[NH+](C)C	CC(=O)CCCCN(C)C	mol229	CC(=O)CCCCN(C)C
10.56	Hunt	1	0	CC[C@@H](C)[NH3+]	CC[C@@H](C)N	mol906	CC[C@@H](C)N
10.64	Hunt	1	0	CC[C@H](C)C[NH3+]	CC[C@H](C)CN	mol907	CC[C@H](C)CN
10.6	Hunt	1	0	CC(C)CC[NH3+]	CC(C)CCN	mol908	CC(C)CCN
1.14	Hunt	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-]
10.72	Hunt	1	0	CCC(C)(C)[NH3+]	CCC(C)(C)N	mol910	CCC(C)(C)N
6.61	Hunt	1	0	CCCC[NH+](CCCl)CCCl	CCCCN(CCCl)CCCl	mol911	CCCCN(CCCl)CCCl
9.3	Hunt	1	0	CCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCN(C[C@@H](C)O)C[C@@H](C)O	mol912	CCCCN(C[C@@H](C)O)C[C@@H](C)O
11.25	Hunt	1	0	CCCC[NH2+]CCCC	CCCCNCCCC	mol913	CCCCNCCCC
10.08	Hunt	1	0	CC[NH+](CC)CCCCC#N	CCN(CC)CCCCC#N	mol914	CCN(CC)CCCCC#N
2.82	Hunt	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
10.2	Hunt	1	0	CCCC[NH+](C)C	CCCCN(C)C	mol198	CCCCN(C)C
10.57	Hunt	1	0	CCC[C@@H](C)[NH+](C)C	CCC[C@@H](C)N(C)C	mol916	CCC[C@@H](C)N(C)C
10.94	Hunt	1	0	CC(C)CC[NH2+]CCC(C)C	CC(C)CCNCCC(C)C	mol917	CC(C)CCNCCC(C)C
2.82	Hunt	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
8.9	Hunt	1	0	C[C@@H](C=C(c1cccs1)c1cccs1)[NH+](C)C	C[C@@H](C=C(c1cccs1)c1cccs1)N(C)C	mol919	C[C@@H](C=C(c1cccs1)c1cccs1)N(C)C
10.12	Hunt	1	0	[NH3+]CCC=C(Cl)Cl	NCCC=C(Cl)Cl	mol920	NCCC=C(Cl)Cl
10.63	Hunt	1	0	CCCCC[NH3+]	CCCCCN	mol921	CCCCCN
9.62	Hunt	1	0	[NH3+]CCCCCBr	NCCCCCBr	mol922	NCCCCCBr
2.97	Hunt	0	-1	Cc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]	Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	mol923	Cc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]
10.46	Hunt	1	0	[NH3+]CCCCCO	NCCCCCO	mol924	NCCCCCO
10.63	Hunt	1	0	CCC(C)([NH3+])CC	CCC(C)(N)CC	mol925	CCC(C)(N)CC
10.12	Hunt	1	0	[NH3+]CCCCC(Cl)(Cl)Cl	NCCCCC(Cl)(Cl)Cl	mol926	NCCCCC(Cl)(Cl)Cl
11.16	Hunt	1	0	CCCCC[NH2+]CCCCC	CCCCCNCCCCC	mol927	CCCCCNCCCCC
9.0	Hunt	1	0	CCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCCN(C[C@@H](C)O)C[C@@H](C)O	mol928	CCCCCN(C[C@@H](C)O)C[C@@H](C)O
0.65	Hunt	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-]
10.46	Hunt	1	0	CC[NH+](CC)CCCCCC#N	CCN(CC)CCCCCC#N	mol930	CCN(CC)CCCCCC#N
9.96	Hunt	1	0	CC(C)C(C(C)C)[NH+](C)C	CC(C)C(C(C)C)N(C)C	mol931	CC(C)C(C(C)C)N(C)C
10.64	Hunt	1	0	CCCCCC[NH3+]	CCCCCCN	mol932	CCCCCCN
10.6	Hunt	1	0	[NH3+]CCCCCCBr	NCCCCCCBr	mol933	NCCCCCCBr
9.14	Hunt	1	0	C/C(=N\O)C(C)(C)CCC[NH3+],C/C(=[NH+]\O)C(C)(C)CCCN	C/C(=N\O)C(C)(C)CCCN,C/C(=N\[O-])C(C)(C)CCC[NH3+]	mol934	C/C(=N\O)C(C)(C)CCCN
8.5	Hunt	1	0	CCCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCCCN(C[C@@H](C)O)C[C@@H](C)O	mol935	CCCCCCN(C[C@@H](C)O)C[C@@H](C)O
11.01	Hunt	1	0	CCCCCC[NH2+]CCCCCC	CCCCCCNCCCCCC	mol936	CCCCCCNCCCCCC
10.67	Hunt	1	0	CCCCC[C@@H](C)[NH3+]	CCCCC[C@@H](C)N	mol937	CCCCC[C@@H](C)N
10.56	Hunt	1	0	CCCCCC(C)(C)[NH3+]	CCCCCC(C)(C)N	mol938	CCCCCC(C)(C)N
10.28	Hunt	1	0	CC(C)CCC[C@H](C)[NH3+]	CC(C)CCC[C@H](C)N	mol939	CC(C)CCC[C@H](C)N
7.7	Hunt	1	0	CCCC[C@@H](CC)CO[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCC[C@@H](CC)CON(C[C@@H](C)O)C[C@@H](C)O	mol940	CCCC[C@@H](CC)CON(C[C@@H](C)O)C[C@@H](C)O
10.82	Hunt	1	0	CCCCC[C@@H](C)[NH2+]C	CCCCC[C@@H](C)NC	mol941	CCCCC[C@@H](C)NC
10.65	Hunt	1	0	CCCCCCCC[NH3+]	CCCCCCCCN	mol942	CCCCCCCCN
10.49	Hunt	1	0	CCCCCC[C@@H](C)[NH3+]	CCCCCC[C@@H](C)N	mol943	CCCCCC[C@@H](C)N
9.12	Hunt	1	0	C/C(=N\O)C(C)(C)CCCCC[NH3+],C/C(=[NH+]\O)C(C)(C)CCCCCN	C/C(=N\[O-])C(C)(C)CCCCC[NH3+],C/C(=N\O)C(C)(C)CCCCCN	mol944	C/C(=N\O)C(C)(C)CCCCCN
9.85	Hunt	1	0	CCCCC[C@H](O)C(C)(C)[NH3+]	CCCCC[C@H](O)C(C)(C)N	mol945	CCCCC[C@H](O)C(C)(C)N
8.3	Hunt	1	0	CCCCCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCCCCCN(C[C@@H](C)O)C[C@@H](C)O	mol946	CCCCCCCCN(C[C@@H](C)O)C[C@@H](C)O
11.01	Hunt	1	0	CCCCCCCC[NH2+]CCCCCCCC	CCCCCCCCNCCCCCCCC	mol947	CCCCCCCCNCCCCCCCC
10.64	Hunt	1	0	CCCCCCCCC[NH3+]	CCCCCCCCCN	mol948	CCCCCCCCCN
10.64	Hunt	1	0	CCCCCCCCCC[NH3+]	CCCCCCCCCCN	mol949	CCCCCCCCCCN
10.63	Hunt	1	0	CCCCCCCCCCC[NH3+]	CCCCCCCCCCCN	mol950	CCCCCCCCCCCN
10.63	Hunt	1	0	CCCCCCCCCCCC[NH3+]	CCCCCCCCCCCCN	mol951	CCCCCCCCCCCCN
8.95	Hunt	1	0	[NH2+]=C1CCCC1	N=C1CCCC1	mol952	N=C1CCCC1
10.68	Hunt	1	0	[NH3+]C1CCCCC1	NC1CCCCC1	mol953	NC1CCCCC1
9.49	Hunt	1	0	[NH3+][C@H]1CCCC[C@@H]1Cl	N[C@H]1CCCC[C@@H]1Cl	mol954	N[C@H]1CCCC[C@@H]1Cl
9.53	Hunt	1	0	[NH3+][C@@H]1CCCC[C@H]1O	N[C@@H]1CCCC[C@H]1O	mol955	N[C@@H]1CCCC[C@H]1O
9.39	Hunt	1	0	C[C@H]1CCC[C@@H](O)[C@@H]1[NH3+]	C[C@H]1CCC[C@@H](O)[C@@H]1N	mol956	C[C@H]1CCC[C@@H](O)[C@@H]1N
10.48	Hunt	1	0	C[C@H]1CC[C@@H]([NH3+])CC1	C[C@H]1CC[C@@H](N)CC1	mol957	CC1CCC(N)CC1
4.78	Hunt	0	-1	CCCOc1ccc(C(=O)O)cc1	CCCOc1ccc(C(=O)[O-])cc1	mol958	CCCOc1ccc(C(=O)O)cc1
10.14	Hunt	1	0	C[C@@H]([NH3+])CC1CCCCC1	C[C@@H](N)CC1CCCCC1	mol959	C[C@@H](N)CC1CCCCC1
9.85	Hunt	1	0	C[NH2+][C@H]1CCCC[C@@H]1Cl	CN[C@H]1CCCC[C@@H]1Cl	mol960	CN[C@H]1CCCC[C@@H]1Cl
6.95	Hunt	1	0	c1ccc(C([NH2+]CC2CCCCC2)c2ccccc2)cc1	c1ccc(C(NCC2CCCCC2)c2ccccc2)cc1	mol961	c1ccc(C(NCC2CCCCC2)c2ccccc2)cc1
10.32	Hunt	1	0	C[NH+](C)[C@@H]1CCCC[C@H]1O	CN(C)[C@@H]1CCCC[C@H]1O	mol962	CN(C)[C@@H]1CCCC[C@H]1O
10.52	Hunt	1	0	C[NH2+][C@H](C)CC1CCCCC1	CN[C@H](C)CC1CCCCC1	mol963	CN[C@H](C)CC1CCCCC1
11.09	Hunt	1	0	CC[C@H](C)C[NH2+]C1CCCCC1	CC[C@H](C)CNC1CCCCC1	mol964	CC[C@H](C)CNC1CCCCC1
10.96	Hunt	1	0	C[Si](C)(C)C[NH2+]C1CCCCC1	C[Si](C)(C)CNC1CCCCC1	mol965	C[Si](C)(C)CNC1CCCCC1
9.15	Hunt	1	0	[NH2+]=C1CCCCC1	N=C1CCCCC1	mol966	N=C1CCCCC1
9.43	Hunt	1	0	C[NH+]=C1CCCCC1	CN=C1CCCCC1	mol967	CN=C1CCCCC1
10.42	Hunt	1	0	[NH3+][C@@H]1C=CCCC1	N[C@@H]1C=CCCC1	mol968	N[C@@H]1C=CCCC1
10.37	Hunt	1	0	CC1=CCCC[C@@H]1[NH3+]	CC1=CCCC[C@@H]1N	mol969	CC1=CCCC[C@@H]1N
4.15	Hunt	0	-1	CC(C)Oc1cccc(C(=O)O)c1	CC(C)Oc1cccc(C(=O)[O-])c1	mol970	CC(C)Oc1cccc(C(=O)O)c1
4.64	Hunt	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
2.22	Hunt	1	0	CC(=O)c1ccccc1[NH3+]	CC(=O)c1ccccc1N	mol972	CC(=O)c1ccccc1N
3.56	Hunt	1	0	CC(=O)c1cccc([NH3+])c1	CC(=O)c1cccc(N)c1	mol973	CC(=O)c1cccc(N)c1
2.2	Hunt	1	0	CC(=O)c1ccc([NH3+])cc1	CC(=O)c1ccc(N)cc1	mol974	CC(=O)c1ccc(N)cc1
4.68	Hunt	0	-1	CC(C)Oc1ccc(C(=O)O)cc1	CC(C)Oc1ccc(C(=O)[O-])cc1	mol975	CC(C)Oc1ccc(C(=O)O)cc1
2.17	Hunt	1	0	[NH3+]c1ccc(C(=O)c2ccccc2)cc1	Nc1ccc(C(=O)c2ccccc2)cc1	mol976	Nc1ccc(C(=O)c2ccccc2)cc1
2.53	Hunt	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
3.58	Hunt	1	0	[NH3+]c1cccc(Br)c1	Nc1cccc(Br)c1	mol978	Nc1cccc(Br)c1
3.86	Hunt	1	0	[NH3+]c1ccc(Br)cc1	Nc1ccc(Br)cc1	mol979	Nc1ccc(Br)cc1
5.93	Hunt	1	0	CC(C)(C)[NH2+]c1ccc(Br)cc1	CC(C)(C)Nc1ccc(Br)cc1	mol980	CC(C)(C)Nc1ccc(Br)cc1
4.31	Hunt	1	0	C[NH+](C)c1ccccc1Br	CN(C)c1ccccc1Br	mol981	CN(C)c1ccccc1Br
4.232	Hunt	1	0	C[NH+](C)c1ccc(Br)cc1	CN(C)c1ccc(Br)cc1	mol982	CN(C)c1ccc(Br)cc1
4.08	Hunt	1	0	COc1ccc([NH3+])cc1Br	COc1ccc(N)cc1Br	mol983	COc1ccc(N)cc1Br
3.98	Hunt	1	0	Cc1ccc([NH3+])cc1Br	Cc1ccc(N)cc1Br	mol984	Cc1ccc(N)cc1Br
3.58	Hunt	1	0	Cc1cc(Br)ccc1[NH3+]	Cc1cc(Br)ccc1N	mol985	Cc1cc(Br)ccc1N
3.53	Hunt	0	-1	O=C(O)c1ccccc1Oc1ccccc1	O=C([O-])c1ccccc1Oc1ccccc1	mol986	O=C(O)c1ccccc1Oc1ccccc1
2.472	Hunt	1	0	CCCCOC(=O)c1ccc([NH3+])cc1	CCCCOC(=O)c1ccc(N)cc1	mol987	CCCCOC(=O)c1ccc(N)cc1
5.12	Hunt	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
4.26	Hunt	1	0	CCCCc1ccccc1[NH3+]	CCCCc1ccccc1N	mol989	CCCCc1ccccc1N
5.03	Hunt	1	0	CC(C)(C)c1ccccc1[NH3+]	CC(C)(C)c1ccccc1N	mol990	CC(C)(C)c1ccccc1N
4.66	Hunt	1	0	CC(C)(C)c1cccc([NH3+])c1	CC(C)(C)c1cccc(N)c1	mol991	CC(C)(C)c1cccc(N)c1
4.95	Hunt	1	0	CC(C)(C)c1ccc([NH3+])cc1	CC(C)(C)c1ccc(N)cc1	mol992	CC(C)(C)c1ccc(N)cc1
7.39	Hunt	1	0	C[NH+](c1ccccc1)C(C)(C)C	CN(c1ccccc1)C(C)(C)C	mol993	CN(c1ccccc1)C(C)(C)C
2.65	Hunt	1	0	[NH3+]c1ccccc1Cl	Nc1ccccc1Cl	mol994	Nc1ccccc1Cl
3.46	Hunt	1	0	[NH3+]c1cccc(Cl)c1	Nc1cccc(Cl)c1	mol995	Nc1cccc(Cl)c1
4.15	Hunt	1	0	[NH3+]c1ccc(Cl)cc1	Nc1ccc(Cl)cc1	mol996	Nc1ccc(Cl)cc1
3.87	Hunt	1	0	C[NH+](C)c1cccc(Cl)c1	CN(C)c1cccc(Cl)c1	mol997	CN(C)c1cccc(Cl)c1
4.395	Hunt	1	0	C[NH+](C)c1ccc(Cl)cc1	CN(C)c1ccc(Cl)cc1	mol998	CN(C)c1ccc(Cl)cc1
4.52	Hunt	0	-1	O=C(O)c1ccc(Oc2ccccc2)cc1	O=C([O-])c1ccc(Oc2ccccc2)cc1	mol999	O=C(O)c1ccc(Oc2ccccc2)cc1
3.9	Hunt	1	0	C[NH2+]c1ccc(Cl)cc1	CNc1ccc(Cl)cc1	mol1000	CNc1ccc(Cl)cc1
4.05	Hunt	1	0	Cc1ccc([NH3+])cc1Cl	Cc1ccc(N)cc1Cl	mol1001	Cc1ccc(N)cc1Cl
-1.49	Hunt	1	0	C[NH2+]c1ccc(Cl)cc1[N+](=O)[O-]	CNc1ccc(Cl)cc1[N+](=O)[O-]	mol1002	CNc1ccc(Cl)cc1[N+](=O)[O-]
-1.02	Hunt	1	0	[NH3+]c1ccc(Cl)cc1[N+](=O)[O-]	Nc1ccc(Cl)cc1[N+](=O)[O-]	mol1003	Nc1ccc(Cl)cc1[N+](=O)[O-]
1.9	Hunt	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
-1.52	Hunt	1	0	[NH3+]c1cc(Cl)ccc1[N+](=O)[O-]	Nc1cc(Cl)ccc1[N+](=O)[O-]	mol1005	Nc1cc(Cl)ccc1[N+](=O)[O-]
0.95	Hunt	1	0	N#Cc1ccccc1[NH3+]	N#Cc1ccccc1N	mol1006	N#Cc1ccccc1N
2.748	Hunt	1	0	N#Cc1cccc([NH3+])c1	N#Cc1cccc(N)c1	mol1007	N#Cc1cccc(N)c1
1.739	Hunt	1	0	N#Cc1ccc([NH3+])cc1	N#Cc1ccc(N)cc1	mol1008	N#Cc1ccc(N)cc1
3.27	Hunt	0	-1	O=C(O)c1cccc(Cl)c1CO	O=C([O-])c1cccc(Cl)c1CO	mol1009	O=C(O)c1cccc(Cl)c1CO
5.6	Hunt	1	0	c1ccc([NH2+]C2CCCCC2)cc1	c1ccc(NC2CCCCC2)cc1	mol1010	c1ccc(NC2CCCCC2)cc1
6.71	Hunt	1	0	C[NH+](c1ccccc1)C1CCCC1	CN(c1ccccc1)C1CCCC1	mol1011	CN(c1ccccc1)C1CCCC1
5.07	Hunt	1	0	Cc1ccccc1[NH2+]C1CCCC1	Cc1ccccc1NC1CCCC1	mol1012	Cc1ccccc1NC1CCCC1
2.26	Hunt	0	-1	O=C(O)c1c(Cl)cccc1CO	O=C([O-])c1c(Cl)cccc1CO	mol1013	O=C(O)c1c(Cl)cccc1CO
0.35	Hunt	1	0	[NH3+]c1c(Br)cccc1Br	Nc1c(Br)cccc1Br	mol1014	Nc1c(Br)cccc1Br
2.34	Hunt	1	0	[NH3+]c1cc(Br)cc(Br)c1	Nc1cc(Br)cc(Br)c1	mol1015	Nc1cc(Br)cc(Br)c1
2.98	Hunt	1	0	COc1c(Br)cc([NH3+])cc1Br	COc1c(Br)cc(N)cc1Br	mol1016	COc1c(Br)cc(N)cc1Br
0.69	Hunt	1	0	Cc1cc(Br)c([NH3+])c(Br)c1	Cc1cc(Br)c(N)c(Br)c1	mol1017	Cc1cc(Br)c(N)c(Br)c1
6.3	Hunt	1	0	CCCC[NH+](CCCC)c1ccccc1	CCCCN(CCCC)c1ccccc1	mol1018	CCCCN(CCCC)c1ccccc1
4.97	Hunt	1	0	CC(C)(C)c1cc([NH3+])cc(C(C)(C)C)c1	CC(C)(C)c1cc(N)cc(C(C)(C)C)c1	mol1019	CC(C)(C)c1cc(N)cc(C(C)(C)C)c1
2.02	Hunt	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
2.93	Hunt	1	0	CC(C)(C)c1cc([NH3+])cc(C(C)(C)C)c1[N+](=O)[O-]	CC(C)(C)c1cc(N)cc(C(C)(C)C)c1[N+](=O)[O-]	mol1021	CC(C)(C)c1cc(N)cc(C(C)(C)C)c1[N+](=O)[O-]
1.57	Hunt	1	0	[NH3+]c1cc(Cl)ccc1Cl	Nc1cc(Cl)ccc1Cl	mol1022	Nc1cc(Cl)ccc1Cl
-0.23	Hunt	1	0	C[NH+](C)c1c(Cl)cc([N+](=O)[O-])cc1Cl	CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl	mol1023	CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl
0.18	Hunt	1	0	CC[NH+](CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	CCN(CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol1024	CCN(CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
2.17	Hunt	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
7.13	Hunt	1	0	CC[NH+](CC)c1ccc(C)cc1	CCN(CC)c1ccc(C)cc1	mol1026	CCN(CC)c1ccc(C)cc1
7.37	Hunt	1	0	CC(C)[NH+](c1ccccc1)C(C)C	CC(C)N(c1ccccc1)C(C)C	mol1027	CC(C)N(c1ccccc1)C(C)C
5.068	Hunt	1	0	C[NH+](C)c1ccccc1	CN(C)c1ccccc1	mol1028	CN(C)c1ccccc1
1.34	Hunt	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-]
5.36	Hunt	1	0	C[NH2+]c1ccc(C)cc1	CNc1ccc(C)cc1	mol1030	CNc1ccc(C)cc1
4.89	Hunt	1	0	Cc1ccc([NH3+])c(C)c1	Cc1ccc(N)c(C)c1	mol1031	Cc1ccc(N)c(C)c1
5.17	Hunt	1	0	Cc1ccc([NH3+])cc1C	Cc1ccc(N)cc1C	mol1032	Cc1ccc(N)cc1C
-1.0	Hunt	1	0	C[NH+](C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol1033	CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
2.626	Hunt	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
0.607	Hunt	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
0.98	Hunt	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
2.59	Hunt	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-]
2.25	Hunt	0	-1	O=C(O)c1c(Br)cccc1CO	O=C([O-])c1c(Br)cccc1CO	mol1038	O=C(O)c1c(Br)cccc1CO
3.27	Hunt	1	0	C[NH+](C)c1cccc(C(F)(F)F)c1	CN(C)c1cccc(C(F)(F)F)c1	mol1039	CN(C)c1cccc(C(F)(F)F)c1
5.68	Hunt	1	0	CCC[NH+](CCC)c1ccccc1	CCCN(CCC)c1ccccc1	mol1040	CCCN(CCC)c1ccccc1
4.43	Hunt	1	0	CCOc1ccccc1[NH3+]	CCOc1ccccc1N	mol1041	CCOc1ccccc1N
4.18	Hunt	1	0	CCOc1cccc([NH3+])c1	CCOc1cccc(N)c1	mol1042	CCOc1cccc(N)c1
5.2	Hunt	1	0	CCOc1ccc([NH3+])cc1	CCOc1ccc(N)cc1	mol1043	CCOc1ccc(N)cc1
2.18	Hunt	1	0	CCOC(=O)c1ccccc1[NH3+]	CCOC(=O)c1ccccc1N	mol1044	CCOC(=O)c1ccccc1N
1.37	Hunt	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-]
5.12	Hunt	1	0	CC[NH2+]c1ccccc1	CCNc1ccccc1	mol1046	CCNc1ccccc1
4.37	Hunt	1	0	CCc1ccccc1[NH3+]	CCc1ccccc1N	mol1047	CCc1ccccc1N
6.02	Hunt	1	0	CC[NH+](C)c1ccccc1	CCN(C)c1ccccc1	mol1048	CCN(C)c1ccccc1
3.2	Hunt	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F
3.5	Hunt	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
4.65	Hunt	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
1.76	Hunt	1	0	[NH3+]c1ccc(C=O)cc1	Nc1ccc(C=O)cc1	mol1052	Nc1ccc(C=O)cc1
5.42	Hunt	1	0	CCCCCC[NH2+]c1ccccc1	CCCCCCNc1ccccc1	mol1053	CCCCCCNc1ccccc1
6.3	Hunt	1	0	CC(C)C(C)(C)[NH2+]c1ccccc1	CC(C)C(C)(C)Nc1ccccc1	mol1054	CC(C)C(C)(C)Nc1ccccc1
3.61	Hunt	1	0	[NH3+]c1cccc(I)c1	Nc1cccc(I)c1	mol1055	Nc1cccc(I)c1
3.78	Hunt	1	0	[NH3+]c1ccc(I)cc1	Nc1ccc(I)cc1	mol1056	Nc1ccc(I)cc1
4.43	Hunt	1	0	CC(C)C[NH2+]c1ccccc1	CC(C)CNc1ccccc1	mol1057	CC(C)CNc1ccccc1
5.2	Hunt	1	0	CC(C)C[NH+](C)c1ccccc1	CC(C)CN(C)c1ccccc1	mol1058	CC(C)CN(C)c1ccccc1
5.77	Hunt	1	0	CC(C)[NH2+]c1ccccc1	CC(C)Nc1ccccc1	mol1059	CC(C)Nc1ccccc1
4.42	Hunt	1	0	CC(C)c1ccccc1[NH3+]	CC(C)c1ccccc1N	mol1060	CC(C)c1ccccc1N
4.52	Hunt	1	0	COc1ccccc1[NH3+]	COc1ccccc1N	mol1061	COc1ccccc1N
4.2	Hunt	1	0	COc1cccc([NH3+])c1	COc1cccc(N)c1	mol1062	COc1cccc(N)c1
3.58	Hunt	0	-1	COc1cccc(C(=O)O)c1CO	COc1cccc(C(=O)[O-])c1CO	mol1063	COc1cccc(C(=O)O)c1CO
2.23	Hunt	1	0	COC(=O)c1ccccc1[NH3+]	COC(=O)c1ccccc1N	mol1064	COC(=O)c1ccccc1N
3.55	Hunt	1	0	COC(=O)c1cccc([NH3+])c1	COC(=O)c1cccc(N)c1	mol1065	COC(=O)c1cccc(N)c1
2.465	Hunt	1	0	COC(=O)c1ccc([NH3+])cc1	COC(=O)c1ccc(N)cc1	mol1066	COC(=O)c1ccc(N)cc1
3.78	Hunt	1	0	COC(=O)c1ccccc1[NH+](C)C	COC(=O)c1ccccc1N(C)C	mol1067	COC(=O)c1ccccc1N(C)C
3.86	Hunt	1	0	COC(=O)c1cccc([NH+](C)C)c1	COC(=O)c1cccc(N(C)C)c1	mol1068	COC(=O)c1cccc(N(C)C)c1
3.53	Hunt	1	0	C[NH2+]c1ccccc1C(=O)OC	CNc1ccccc1C(=O)OC	mol1069	CNc1ccccc1C(=O)OC
2.32	Hunt	1	0	C[NH2+]c1ccc(C(=O)OC)cc1	CNc1ccc(C(=O)OC)cc1	mol1070	CNc1ccc(C(=O)OC)cc1
5.854	Hunt	1	0	COc1ccc([NH+](C)C)cc1	COc1ccc(N(C)C)cc1	mol1071	COc1ccc(N(C)C)cc1
2.11	Hunt	1	0	COc1cc([NH3+])cc([N+](=O)[O-])c1	COc1cc(N)cc([N+](=O)[O-])c1	mol1072	COc1cc(N)cc([N+](=O)[O-])c1
4.848	Hunt	1	0	C[NH2+]c1ccccc1	CNc1ccccc1	mol1073	CNc1ccccc1
4.69	Hunt	1	0	Cc1cccc([NH3+])c1	Cc1cccc(N)c1	mol1074	Cc1cccc(N)c1
5.1	Hunt	1	0	Cc1ccc([NH3+])cc1	Cc1ccc(N)cc1	mol1075	Cc1ccc(N)cc1
2.96	Hunt	1	0	Cc1ccc([NH3+])cc1[N+](=O)[O-]	Cc1ccc(N)cc1[N+](=O)[O-]	mol1076	Cc1ccc(N)cc1[N+](=O)[O-]
2.561	Hunt	1	0	CS(=O)(=O)c1cccc([NH3+])c1	CS(=O)(=O)c1cccc(N)c1	mol1077	CS(=O)(=O)c1cccc(N)c1
1.35	Hunt	1	0	CS(=O)(=O)c1ccc([NH3+])cc1	CS(=O)(=O)c1ccc(N)cc1	mol1078	CS(=O)(=O)c1ccc(N)cc1
4.0	Hunt	1	0	CSc1cccc([NH3+])c1	CSc1cccc(N)c1	mol1079	CSc1cccc(N)c1
4.35	Hunt	1	0	CSc1ccc([NH3+])cc1	CSc1ccc(N)cc1	mol1080	CSc1ccc(N)cc1
-0.26	Hunt	1	0	[NH3+]c1ccccc1[N+](=O)[O-]	Nc1ccccc1[N+](=O)[O-]	mol1081	Nc1ccccc1[N+](=O)[O-]
2.466	Hunt	1	0	[NH3+]c1cccc([N+](=O)[O-])c1	Nc1cccc([N+](=O)[O-])c1	mol1082	Nc1cccc([N+](=O)[O-])c1
6.75	Hunt	1	0	CCC(C)(C)[NH2+]c1ccccc1	CCC(C)(C)Nc1ccccc1	mol1083	CCC(C)(C)Nc1ccccc1
0.79	Hunt	1	0	c1ccc([NH2+]c2ccccc2)cc1	c1ccc(Nc2ccccc2)cc1	mol1084	c1ccc(Nc2ccccc2)cc1
2.487	Hunt	1	0	CCCOC(=O)c1ccc([NH3+])cc1	CCCOC(=O)c1ccc(N)cc1	mol1085	CCCOC(=O)c1ccc(N)cc1
4.79	Hunt	1	0	CCC[NH2+]c1ccccc1	CCCNc1ccccc1	mol1086	CCCNc1ccccc1
4.36	Hunt	1	0	CCCc1ccccc1[NH3+]	CCCc1ccccc1N	mol1087	CCCc1ccccc1N
2.9	Hunt	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
4.3	Hunt	1	0	Cc1cccc(C)c1[NH+](C)C	Cc1cccc(C)c1N(C)C	mol1089	Cc1cccc(C)c1N(C)C
2.36	Hunt	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
3.49	Hunt	1	0	[NH3+]c1cccc(C(F)(F)F)c1	Nc1cccc(C(F)(F)F)c1	mol1091	Nc1cccc(C(F)(F)F)c1
2.45	Hunt	1	0	[NH3+]c1ccc(C(F)(F)F)cc1	Nc1ccc(C(F)(F)F)cc1	mol1092	Nc1ccc(C(F)(F)F)cc1
6.11	Hunt	1	0	Cc1ccccc1[NH+](C)C	Cc1ccccc1N(C)C	mol1093	Cc1ccccc1N(C)C
5.344	Hunt	1	0	Cc1cccc([NH+](C)C)c1	Cc1cccc(N(C)C)c1	mol1094	Cc1cccc(N(C)C)c1
3.52	Hunt	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
5.627	Hunt	1	0	Cc1ccc([NH+](C)C)cc1	Cc1ccc(N(C)C)cc1	mol1096	Cc1ccc(N(C)C)cc1
4.38	Hunt	1	0	Cc1cc(C)c([NH3+])c(C)c1	Cc1cc(C)c(N)c(C)c1	mol1097	Cc1cc(C)c(N)c(C)c1
5.12	Hunt	1	0	Cc1cc([NH3+])cc(C)c1C	Cc1cc(N)cc(C)c1C	mol1098	Cc1cc(N)cc(C)c1C
4.64	Hunt	1	0	C[Si](C)(C)c1cccc([NH3+])c1	C[Si](C)(C)c1cccc(N)c1	mol1099	C[Si](C)(C)c1cccc(N)c1
4.36	Hunt	1	0	C[Si](C)(C)c1ccc([NH3+])cc1	C[Si](C)(C)c1ccc(N)cc1	mol1100	C[Si](C)(C)c1ccc(N)cc1
2.22	Hunt	2	1	C[N+](C)(C)c1cccc([NH3+])c1	C[N+](C)(C)c1cccc(N)c1	mol1101	C[N+](C)(C)c1cccc(N)c1
3.64	Hunt	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
2.44	Hunt	2	1	C[N+](C)(C)c1ccc([NH3+])cc1	C[N+](C)(C)c1ccc(N)cc1	mol1103	C[N+](C)(C)c1ccc(N)cc1
2.6	Hunt	2	1	C[NH+](C)c1cccc([N+](C)(C)C)c1	CN(C)c1cccc([N+](C)(C)C)c1	mol1104	CN(C)c1cccc([N+](C)(C)C)c1
2.64	Hunt	2	1	C[NH+](C)c1ccc([N+](C)(C)C)cc1	CN(C)c1ccc([N+](C)(C)C)cc1	mol1105	CN(C)c1ccc([N+](C)(C)C)cc1
4.1	Hunt	1	0	[NH3+]c1cccc2cc3ccccc3cc12	Nc1cccc2cc3ccccc3cc12	mol1106	Nc1cccc2cc3ccccc3cc12
3.37	Hunt	0	-1	O=C(O)c1cccc2c1C(=O)c1ccccc1C2=O	O=C([O-])c1cccc2c1C(=O)c1ccccc1C2=O	mol1107	O=C(O)c1cccc2c1C(=O)c1ccccc1C2=O
3.42	Hunt	0	-1	O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	O=C([O-])c1ccc2c(c1)C(=O)c1ccccc1C2=O	mol1108	O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
8.2	Hunt	0	-1	Oc1ccc(/N=N/c2ccccc2)cc1,[O-]c1ccc(/[NH+]=N/c2ccccc2)cc1,[O-]c1ccc(/N=[NH+]/c2ccccc2)cc1	[O-]c1ccc(/N=N/c2ccccc2)cc1	mol1109	Oc1ccc(/N=N/c2ccccc2)cc1
8.2	Hunt	0	-1	Cc1cc(C)c(/N=N/c2c(C)cc(O)cc2C)c(C)c1,Cc1cc(C)c(/N=[NH+]/c2c(C)cc([O-])cc2C)c(C)c1,Cc1cc(C)c(/[NH+]=N/c2c(C)cc([O-])cc2C)c(C)c1	Cc1cc(C)c(/N=N/c2c(C)cc([O-])cc2C)c(C)c1	mol1110	Cc1cc(C)c(/N=N/c2c(C)cc(O)cc2C)c(C)c1
10.5	Hunt	1	0	[NH3+]CCCCc1ccccc1	NCCCCc1ccccc1	mol122	NCCCCc1ccccc1
8.87	Hunt	1	0	[NH3+]CCc1ccc(O)c(O)c1	[NH3+]CCc1ccc(O)c([O-])c1,NCCc1ccc(O)c(O)c1,[NH3+]CCc1ccc([O-])c(O)c1	mol1111	NCCc1ccc(O)c(O)c1
8.42	Hunt	1	0	CC[C@H]([NH3+])[C@@H](O)c1ccc(O)c(O)c1	CC[C@H]([NH3+])[C@@H](O)c1ccc([O-])c(O)c1,CC[C@H]([NH3+])[C@@H](O)c1ccc(O)c([O-])c1,CC[C@H](N)[C@@H](O)c1ccc(O)c(O)c1	mol1112	CC[C@H](N)[C@@H](O)c1ccc(O)c(O)c1
4.35	Hunt	0	-1	Cc1ccccc1CC(=O)O	Cc1ccccc1CC(=O)[O-]	mol1113	Cc1ccccc1CC(=O)O
9.53	Hunt	0	-1	[NH3+]C[C@H](O)c1ccc([O-])cc1,NC[C@H](O)c1ccc(O)cc1	NC[C@H](O)c1ccc([O-])cc1	mol1114	NC[C@H](O)c1ccc(O)cc1
9.05	Hunt	1	0	C[C@@H]([NH3+])[C@@H](O)c1ccccc1	C[C@@H](N)[C@@H](O)c1ccccc1	mol1115	C[C@@H](N)[C@@H](O)c1ccccc1
8.7	Hunt	1	0	C[C@@H]([NH3+])[C@@H](O)c1ccc(O)cc1	C[C@@H]([NH3+])[C@@H](O)c1ccc([O-])cc1,C[C@@H](N)[C@@H](O)c1ccc(O)cc1	mol1116	C[C@@H](N)[C@@H](O)c1ccc(O)cc1
10.27	Hunt	1	0	CC(C)([NH3+])c1ccccc1	CC(C)(N)c1ccccc1	mol1117	CC(C)(N)c1ccccc1
10.36	Hunt	1	0	C[Si](C)(C[NH3+])c1ccccc1	C[Si](C)(CN)c1ccccc1	mol1118	C[Si](C)(CN)c1ccccc1
10.03	Hunt	1	0	CC(C)(C[NH3+])c1ccccc1	CC(C)(CN)c1ccccc1	mol1119	CC(C)(CN)c1ccccc1
8.8	Hunt	1	0	[NH3+]C(CCc1ccccc1)CCc1ccccc1	NC(CCc1ccccc1)CCc1ccccc1	mol1120	NC(CCc1ccccc1)CCc1ccccc1
8.0	Hunt	1	0	[NH3+]C(Cc1ccccc1)Cc1ccccc1	NC(Cc1ccccc1)Cc1ccccc1	mol1121	NC(Cc1ccccc1)Cc1ccccc1
9.6	Hunt	1	0	COc1ccc(C[C@@H](C)[NH3+])cc1OC	COc1ccc(C[C@@H](C)N)cc1OC	mol1122	COc1ccc(C[C@@H](C)N)cc1OC
4.39	Hunt	0	-1	CC(C)c1ccc(CC(=O)O)cc1	CC(C)c1ccc(CC(=O)[O-])cc1	mol1123	CC(C)c1ccc(CC(=O)O)cc1
9.7	Hunt	0	-1	C[C@@H]([NH3+])Cc1ccc([O-])cc1,C[C@@H](N)Cc1ccc(O)cc1	C[C@@H](N)Cc1ccc([O-])cc1	mol1124	C[C@@H](N)Cc1ccc(O)cc1
9.99	Hunt	1	0	COc1ccc(C[C@@H](C)[NH3+])cc1	COc1ccc(C[C@@H](C)N)cc1	mol1125	COc1ccc(C[C@@H](C)N)cc1
7.8	Hunt	1	0	c1ccc(CCC[NH2+]C(CC2CCCCC2)CC2CCCCC2)cc1	c1ccc(CCCNC(CC2CCCCC2)CC2CCCCC2)cc1	mol1126	c1ccc(CCCNC(CC2CCCCC2)CC2CCCCC2)cc1
8.12	Hunt	1	0	CC[NH+](CC)CCOC(=O)c1ccc(Br)cc1	CCN(CC)CCOC(=O)c1ccc(Br)cc1	mol1127	CCN(CC)CCOC(=O)c1ccc(Br)cc1
8.08	Hunt	1	0	CC[NH+](CC)CCOC(=O)c1ccc(Cl)cc1	CCN(CC)CCOC(=O)c1ccc(Cl)cc1	mol1128	CCN(CC)CCOC(=O)c1ccc(Cl)cc1
5.59	Hunt	1	0	[NH2+]=C(c1ccccc1)c1ccccc1Cl	[H]/N=C(\c1ccccc1)c1ccccc1Cl,N=C(c1ccccc1)c1ccccc1Cl	mol1129	[H]/N=C(\c1ccccc1)c1ccccc1Cl
5.69	Hunt	1	0	[NH2+]=C(c1ccccc1)c1cccc(Cl)c1	N=C(c1ccccc1)c1cccc(Cl)c1,[H]/N=C(\c1ccccc1)c1cccc(Cl)c1	mol1130	[H]/N=C(\c1ccccc1)c1cccc(Cl)c1
7.23	Hunt	1	0	C[C@H](Cc1ccccc1)[NH2+]CCC#N	C[C@H](Cc1ccccc1)NCCC#N	mol1131	C[C@H](Cc1ccccc1)NCCC#N
7.2	Hunt	1	0	c1ccc(CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)cc1	c1ccc(CCCNC(Cc2ccccc2)Cc2ccccc2)cc1	mol1132	c1ccc(CCCNC(Cc2ccccc2)Cc2ccccc2)cc1
8.85	Hunt	1	0	CC(C)[NH2+][C@H](C(C)C)[C@H](O)c1ccc(O)c(O)c1	CC(C)N[C@H](C(C)C)[C@H](O)c1ccc(O)c(O)c1,CC(C)[NH2+][C@H](C(C)C)[C@H](O)c1ccc(O)c([O-])c1,CC(C)[NH2+][C@H](C(C)C)[C@H](O)c1ccc([O-])c(O)c1	mol1133	CC(C)N[C@H](C(C)C)[C@H](O)c1ccc(O)c(O)c1
3.94	Hunt	0	-1	O=C(O)C(c1ccccc1)c1ccccc1	O=C([O-])C(c1ccccc1)c1ccccc1	mol1134	O=C(O)C(c1ccccc1)c1ccccc1
8.71	Hunt	1	0	C[NH2+]C[C@H](O)c1ccc(O)c(O)c1	C[NH2+]C[C@H](O)c1ccc(O)c([O-])c1,C[NH2+]C[C@H](O)c1ccc([O-])c(O)c1,CNC[C@H](O)c1ccc(O)c(O)c1	mol1135	CNC[C@H](O)c1ccc(O)c(O)c1
8.85	Hunt	0	-1	Oc1ccc([C@@H](O)CNc2ccccc2)cc1O,[O-]c1ccc([C@@H](O)C[NH2+]c2ccccc2)cc1O,[O-]c1cc([C@@H](O)C[NH2+]c2ccccc2)ccc1O	[O-]c1cc([C@@H](O)CNc2ccccc2)ccc1O,[O-]c1ccc([C@@H](O)CNc2ccccc2)cc1O,[O-]c1ccc([C@@H](O)C[NH2+]c2ccccc2)cc1[O-]	mol1136	Oc1ccc([C@@H](O)CNc2ccccc2)cc1O
8.57	Hunt	1	0	CCC[NH2+]C[C@H](O)c1ccc(O)c(O)c1	CCC[NH2+]C[C@H](O)c1ccc([O-])c(O)c1,CCCNC[C@H](O)c1ccc(O)c(O)c1,CCC[NH2+]C[C@H](O)c1ccc(O)c([O-])c1	mol1137	CCCNC[C@H](O)c1ccc(O)c(O)c1
8.9	Hunt	1	0	C[NH2+]CCc1ccc(O)c(O)c1	CNCCc1ccc(O)c(O)c1,C[NH2+]CCc1ccc([O-])c(O)c1,C[NH2+]CCc1ccc(O)c([O-])c1	mol1138	CNCCc1ccc(O)c(O)c1
9.81	Hunt	1	0	C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1	CN[C@H](C)Cc1ccc(OC)c(OC)c1	mol1139	CN[C@H](C)Cc1ccc(OC)c(OC)c1
9.56	Hunt	0	-1	CN(C)C[C@H](O)c1ccc(O)cc1,C[NH+](C)C[C@H](O)c1ccc([O-])cc1	CN(C)C[C@H](O)c1ccc([O-])cc1	mol1140	CN(C)C[C@H](O)c1ccc(O)cc1
9.4	Hunt	1	0	C[C@H](Cc1ccccc1)[NH+](C)C	C[C@H](Cc1ccccc1)N(C)C	mol1141	C[C@H](Cc1ccccc1)N(C)C
3.96	Hunt	0	-1	O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1	O=C([O-])C(c1ccccc1)(c1ccccc1)c1ccccc1	mol1142	O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1
5.0	Hunt	1	0	[NH2+]=C(c1ccccc1)c1ccccc1O	N=C(c1ccccc1)c1ccccc1O,[H]/N=C(\c1ccccc1)c1ccccc1O,[NH2+]=C(c1ccccc1)c1ccccc1[O-]	mol1143	[H]/N=C(\c1ccccc1)c1ccccc1O
5.08	Hunt	1	0	[NH2+]=C(c1ccccc1)c1cccc(O)c1	[H]/N=C(\c1ccccc1)c1cccc(O)c1,[NH2+]=C(c1ccccc1)c1cccc([O-])c1,N=C(c1ccccc1)c1cccc(O)c1	mol1144	[H]/N=C(\c1ccccc1)c1cccc(O)c1
7.53	Hunt	0	-1	CC(C)NCC(=O)c1ccc(O)cc1,CC(C)[NH2+]CC(=O)c1ccc([O-])cc1	CC(C)NCC(=O)c1ccc([O-])cc1	mol1145	CC(C)NCC(=O)c1ccc(O)cc1
9.61	Hunt	1	0	C[NH2+][C@H](C)[C@@H](O)c1ccccc1	CN[C@H](C)[C@@H](O)c1ccccc1	mol1146	CN[C@H](C)[C@@H](O)c1ccccc1
7.18	Hunt	1	0	[NH2+]=C(c1ccccc1)c1ccccc1	N=C(c1ccccc1)c1ccccc1	mol1147	N=C(c1ccccc1)c1ccccc1
8.3	Hunt	1	0	COc1ccc(C(=[NH2+])c2ccccc2)c(OC)c1	COc1ccc(C(=N)c2ccccc2)c(OC)c1,[H]/N=C(\c1ccccc1)c1ccc(OC)cc1OC	mol1148	[H]/N=C(\c1ccccc1)c1ccc(OC)cc1OC
6.79	Hunt	1	0	Cc1ccc(C(=[NH2+])c2ccccc2)c(C)c1	Cc1ccc(C(=N)c2ccccc2)c(C)c1,[H]/N=C(\c1ccccc1)c1ccc(C)cc1C	mol1149	[H]/N=C(\c1ccccc1)c1ccc(C)cc1C
6.79	Hunt	1	0	Cc1ccc(C)c(C(=[NH2+])c2ccccc2)c1	[H]/N=C(\c1ccccc1)c1cc(C)ccc1C,Cc1ccc(C)c(C(=N)c2ccccc2)c1	mol1150	[H]/N=C(\c1ccccc1)c1cc(C)ccc1C
6.29	Hunt	1	0	Cc1cccc(C)c1C(=[NH2+])c1ccccc1	[H]/N=C(\c1ccccc1)c1c(C)cccc1C,Cc1cccc(C)c1C(=N)c1ccccc1	mol1151	[H]/N=C(\c1ccccc1)c1c(C)cccc1C
7.18	Hunt	1	0	Cc1cc(C)cc(C(=[NH2+])c2ccccc2)c1	Cc1cc(C)cc(C(=N)c2ccccc2)c1,[H]/N=C(\c1ccccc1)c1cc(C)cc(C)c1	mol1152	[H]/N=C(\c1ccccc1)c1cc(C)cc(C)c1
6.59	Hunt	1	0	COc1cccc(C(=[NH2+])c2ccccc2)c1	COc1cccc(C(=N)c2ccccc2)c1,[H]/N=C(\c1ccccc1)c1cccc(OC)c1	mol1153	[H]/N=C(\c1ccccc1)c1cccc(OC)c1
10.02	Hunt	1	0	CC(C)[NH2+]CCc1ccccc1	CC(C)NCCc1ccccc1	mol1154	CC(C)NCCc1ccccc1
10.8	Hunt	1	0	C[NH2+]CCCCc1ccccc1	CNCCCCc1ccccc1	mol1155	CNCCCCc1ccccc1
10.07	Hunt	1	0	C[NH2+]C[C@H](C)c1ccccc1	CNC[C@H](C)c1ccccc1	mol1156	CNC[C@H](C)c1ccccc1
9.62	Hunt	1	0	[NH3+]Cc1ccccc1	NCc1ccccc1	mol1157	NCc1ccccc1
7.7	Hunt	1	0	c1ccc(C[NH2+]C(CC2CCCCC2)CC2CCCCC2)cc1	c1ccc(CNC(CC2CCCCC2)CC2CCCCC2)cc1	mol1158	c1ccc(CNC(CC2CCCCC2)CC2CCCCC2)cc1
7.8	Hunt	1	0	COc1ccc(C[NH2+]C(CC2CCCCC2)CC2CCCCC2)cc1	COc1ccc(CNC(CC2CCCCC2)CC2CCCCC2)cc1	mol1159	COc1ccc(CNC(CC2CCCCC2)CC2CCCCC2)cc1
4.76	Hunt	0	-1	O=C(O)CCCc1ccccc1	O=C([O-])CCCc1ccccc1	mol1160	O=C(O)CCCc1ccccc1
6.1	Hunt	1	0	Clc1ccc(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)cc1	Clc1ccc(CNC(Cc2ccccc2)Cc2ccccc2)cc1	mol1161	Clc1ccc(CNC(Cc2ccccc2)Cc2ccccc2)cc1
6.4	Hunt	1	0	CCOc1cccc(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)c1	CCOc1cccc(CNC(Cc2ccccc2)Cc2ccccc2)c1	mol1162	CCOc1cccc(CNC(Cc2ccccc2)Cc2ccccc2)c1
9.44	Hunt	1	0	CC[NH+](CC)Cc1ccccc1	CCN(CC)Cc1ccccc1	mol1163	CCN(CC)Cc1ccccc1
9.41	Hunt	1	0	COc1cccc(C[NH3+])c1OC	COc1cccc(CN)c1OC	mol1164	COc1cccc(CN)c1OC
9.39	Hunt	1	0	COc1ccc(C[NH3+])cc1OC	COc1ccc(CN)cc1OC	mol1165	COc1ccc(CN)cc1OC
4.45	Hunt	0	-1	O=C(O)/C=C/c1ccccc1	O=C([O-])/C=C/c1ccccc1	mol1166	O=C(O)/C=C/c1ccccc1
7.6	Hunt	1	0	c1ccc(C[NH2+]CC(c2ccccc2)c2ccccc2)cc1	c1ccc(CNCC(c2ccccc2)c2ccccc2)cc1	mol1167	c1ccc(CNCC(c2ccccc2)c2ccccc2)cc1
9.7	Hunt	1	0	COc1ccccc1C[NH3+]	COc1ccccc1CN	mol1168	COc1ccccc1CN
9.37	Hunt	1	0	[NH3+]Cc1ccc2c(c1)OCO2	NCc1ccc2c(c1)OCO2	mol1169	NCc1ccc2c(c1)OCO2
7.67	Hunt	1	0	[NH3+]Cc1c(F)c(F)c(F)c(F)c1F	NCc1c(F)c(F)c(F)c(F)c1F	mol1170	NCc1c(F)c(F)c(F)c(F)c1F
8.53	Hunt	1	0	NS(=O)(=O)c1ccccc1C[NH3+],NCc1ccccc1S([NH3+])(=O)=O	NCc1ccccc1S(N)(=O)=O	mol1171	NCc1ccccc1S(N)(=O)=O
4.49	Hunt	0	-1	Cc1ccccc1/C=C/C(=O)O	Cc1ccccc1/C=C/C(=O)[O-]	mol1172	Cc1ccccc1/C=C/C(=O)O
8.52	Hunt	1	0	NS(=O)(=O)c1ccc(C[NH3+])cc1,NCc1ccc(S([NH3+])(=O)=O)cc1	NCc1ccc(S(N)(=O)=O)cc1	mol1173	NCc1ccc(S(N)(=O)=O)cc1
3.82	Hunt	1	0	[NH3+]c1ccccc1-c1ccccc1	Nc1ccccc1-c1ccccc1	mol1174	Nc1ccccc1-c1ccccc1
4.25	Hunt	1	0	[NH3+]c1cccc(-c2ccccc2)c1	Nc1cccc(-c2ccccc2)c1	mol1175	Nc1cccc(-c2ccccc2)c1
3.87	Hunt	1	0	[NH3+]c1cccc2c1Cc1ccccc1-2	Nc1cccc2c1Cc1ccccc1-2	mol1176	Nc1cccc2c1Cc1ccccc1-2
4.64	Hunt	1	0	[NH3+]c1ccc2c(c1)Cc1ccccc1-2	Nc1ccc2c(c1)Cc1ccccc1-2	mol1177	Nc1ccc2c(c1)Cc1ccccc1-2
3.39	Hunt	1	0	[NH3+]c1cccc2c1-c1ccccc1C2	Nc1cccc2c1-c1ccccc1C2	mol1178	Nc1cccc2c1-c1ccccc1C2
4.56	Hunt	0	-1	Cc1ccc(/C=C/C(=O)O)cc1	Cc1ccc(/C=C/C(=O)[O-])cc1	mol1179	Cc1ccc(/C=C/C(=O)O)cc1
9.57	Hunt	1	0	[NH3+]C1Cc2ccccc2C1	NC1Cc2ccccc2C1	mol1180	NC1Cc2ccccc2C1
8.13	Hunt	1	0	[NH3+][C@@H]1Cc2ccccc2[C@H]1O	N[C@@H]1Cc2ccccc2[C@H]1O	mol1181	N[C@@H]1Cc2ccccc2[C@H]1O
6.46	Hunt	1	0	c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2ccccc21	c1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccccc21	mol1182	c1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccccc21
6.87	Hunt	1	0	C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1	C[C@H](N[C@H]1CCc2ccccc21)c1ccccc1	mol1183	C[C@H](N[C@H]1CCc2ccccc21)c1ccccc1
-0.46	Hunt	1	0	O=[N+]([O-])c1cccc([NH2+][C@H]2CCc3ccccc32)c1	O=[N+]([O-])c1cccc(N[C@H]2CCc3ccccc32)c1	mol1184	O=[N+]([O-])c1cccc(N[C@H]2CCc3ccccc32)c1
-1.13	Hunt	1	0	O=[N+]([O-])c1ccc([NH2+][C@H]2CCc3ccccc32)cc1	O=[N+]([O-])c1ccc(N[C@H]2CCc3ccccc32)cc1	mol1185	O=[N+]([O-])c1ccc(N[C@H]2CCc3ccccc32)cc1
1.8	Hunt	1	0	c1ccc([NH2+][C@H]2CCc3ccccc32)cc1	c1ccc(N[C@H]2CCc3ccccc32)cc1	mol1186	c1ccc(N[C@H]2CCc3ccccc32)cc1
0.83	Hunt	1	0	Cc1ccccc1[NH2+][C@H]1CCc2ccccc21	Cc1ccccc1N[C@H]1CCc2ccccc21	mol1187	Cc1ccccc1N[C@H]1CCc2ccccc21
2.49	Hunt	1	0	Cc1cccc([NH2+][C@H]2CCc3ccccc32)c1	Cc1cccc(N[C@H]2CCc3ccccc32)c1	mol1188	Cc1cccc(N[C@H]2CCc3ccccc32)c1
1.8	Hunt	1	0	Cc1ccc([NH2+][C@H]2CCc3ccccc32)cc1	Cc1ccc(N[C@H]2CCc3ccccc32)cc1	mol1189	Cc1ccc(N[C@H]2CCc3ccccc32)cc1
3.92	Hunt	1	0	[NH3+]c1cccc2ccccc12	Nc1cccc2ccccc12	mol1190	Nc1cccc2ccccc12
4.16	Hunt	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1
2.69	Hunt	1	0	[NH3+]c1cc(Cl)cc2ccccc12	Nc1cc(Cl)cc2ccccc12	mol1192	Nc1cc(Cl)cc2ccccc12
3.48	Hunt	1	0	[NH3+]c1cccc2cc(Cl)ccc12	Nc1cccc2cc(Cl)ccc12	mol1193	Nc1cccc2cc(Cl)ccc12
3.48	Hunt	1	0	[NH3+]c1cccc2ccc(Cl)cc12	Nc1cccc2ccc(Cl)cc12	mol1194	Nc1cccc2ccc(Cl)cc12
3.38	Hunt	1	0	[NH3+]c1cc(Cl)c2ccccc2c1	Nc1cc(Cl)c2ccccc2c1	mol1195	Nc1cc(Cl)c2ccccc2c1
3.71	Hunt	1	0	[NH3+]c1ccc2ccc(Cl)cc2c1	Nc1ccc2ccc(Cl)cc2c1	mol1196	Nc1ccc2ccc(Cl)cc2c1
2.82	Hunt	1	0	[NH3+]c1cc(I)cc2ccccc12	Nc1cc(I)cc2ccccc12	mol1197	Nc1cc(I)cc2ccccc12
3.26	Hunt	1	0	COc1cc([NH3+])c2ccccc2c1	COc1cc(N)c2ccccc2c1	mol1198	COc1cc(N)c2ccccc2c1
3.9	Hunt	1	0	COc1ccc2c([NH3+])cccc2c1	COc1ccc2c(N)cccc2c1	mol1199	COc1ccc2c(N)cccc2c1
4.07	Hunt	1	0	COc1ccc2cccc([NH3+])c2c1	COc1ccc2cccc(N)c2c1	mol1200	COc1ccc2cccc(N)c2c1
4.05	Hunt	1	0	COc1cc([NH3+])cc2ccccc12	COc1cc(N)cc2ccccc12	mol1201	COc1cc(N)cc2ccccc12
4.64	Hunt	1	0	COc1ccc2cc([NH3+])ccc2c1	COc1ccc2cc(N)ccc2c1	mol1202	COc1ccc2cc(N)ccc2c1
3.12	Hunt	1	0	COC(=O)c1cc([NH3+])c2ccccc2c1	COC(=O)c1cc(N)c2ccccc2c1	mol1203	COC(=O)c1cc(N)c2ccccc2c1
0.54	Hunt	1	0	[NH3+]c1ccc([N+](=O)[O-])c2ccccc12	Nc1ccc([N+](=O)[O-])c2ccccc12	mol1204	Nc1ccc([N+](=O)[O-])c2ccccc12
2.73	Hunt	1	0	[NH3+]c1cccc2c([N+](=O)[O-])cccc12	Nc1cccc2c([N+](=O)[O-])cccc12	mol1205	Nc1cccc2c([N+](=O)[O-])cccc12
2.89	Hunt	1	0	[NH3+]c1cccc2cc([N+](=O)[O-])ccc12	Nc1cccc2cc([N+](=O)[O-])ccc12	mol1206	Nc1cccc2cc([N+](=O)[O-])ccc12
2.55	Hunt	1	0	[NH3+]c1cccc2ccc([N+](=O)[O-])cc12	Nc1cccc2ccc([N+](=O)[O-])cc12	mol1207	Nc1cccc2ccc([N+](=O)[O-])cc12
-0.85	Hunt	1	0	[NH3+]c1ccc2ccccc2c1[N+](=O)[O-]	Nc1ccc2ccccc2c1[N+](=O)[O-]	mol1208	Nc1ccc2ccccc2c1[N+](=O)[O-]
1.48	Hunt	1	0	[NH3+]c1cc2ccccc2cc1[N+](=O)[O-]	Nc1cc2ccccc2cc1[N+](=O)[O-]	mol1209	Nc1cc2ccccc2cc1[N+](=O)[O-]
2.43	Hunt	1	0	[NH3+]c1cc([N+](=O)[O-])c2ccccc2c1	Nc1cc([N+](=O)[O-])c2ccccc2c1	mol1210	Nc1cc([N+](=O)[O-])c2ccccc2c1
3.01	Hunt	1	0	[NH3+]c1ccc2c([N+](=O)[O-])cccc2c1	Nc1ccc2c([N+](=O)[O-])cccc2c1	mol1211	Nc1ccc2c([N+](=O)[O-])cccc2c1
2.62	Hunt	1	0	[NH3+]c1ccc2cc([N+](=O)[O-])ccc2c1	Nc1ccc2cc([N+](=O)[O-])ccc2c1	mol1212	Nc1ccc2cc([N+](=O)[O-])ccc2c1
2.73	Hunt	1	0	[NH3+]c1ccc2cccc([N+](=O)[O-])c2c1	Nc1ccc2cccc([N+](=O)[O-])c2c1	mol1213	Nc1ccc2cccc([N+](=O)[O-])c2c1
9.63	Hunt	1	0	[NH3+][C@@H]1CCCc2ccccc21	N[C@@H]1CCCc2ccccc21	mol1214	N[C@@H]1CCCc2ccccc21
9.93	Hunt	1	0	[NH3+][C@@H]1CCc2ccccc2C1	N[C@@H]1CCc2ccccc2C1	mol1215	N[C@@H]1CCc2ccccc2C1
4.47	Hunt	1	0	[NH3+]c1cccc2c1CCCC2	Nc1cccc2c1CCCC2	mol1216	Nc1cccc2c1CCCC2
5.17	Hunt	1	0	[NH3+]c1ccc2c(c1)CCCC2	Nc1ccc2c(c1)CCCC2	mol1217	Nc1ccc2c(c1)CCCC2
9.71	Hunt	1	0	CCCC[NH+](C)[C@@H]1CCc2ccccc2C1	CCCCN(C)[C@@H]1CCc2ccccc2C1	mol1218	CCCCN(C)[C@@H]1CCc2ccccc2C1
4.83	Hunt	1	0	C[NH+](C)c1cccc2ccccc12	CN(C)c1cccc2ccccc12	mol1219	CN(C)c1cccc2ccccc12
9.5	Hunt	1	0	C[NH+](C)[C@@H]1CCc2ccccc2C1	CN(C)[C@@H]1CCc2ccccc2C1	mol1220	CN(C)[C@@H]1CCc2ccccc2C1
4.19	Hunt	1	0	CC[NH2+]c1cccc2ccccc12	CCNc1cccc2ccccc12	mol1221	CCNc1cccc2ccccc12
3.67	Hunt	1	0	C[NH2+]c1cccc2ccccc12	CNc1cccc2ccccc12	mol1222	CNc1cccc2ccccc12
9.83	Hunt	1	0	CCC[NH+](C)[C@@H]1CCc2ccccc2C1	CCCN(C)[C@@H]1CCc2ccccc2C1	mol1223	CCCN(C)[C@@H]1CCc2ccccc2C1
9.1	Hunt	1	0	C[NH+]1CCCCC(=O)[C@H](O)CCCC1	CN1CCCCC(=O)[C@H](O)CCCC1	mol1224	CN1CCCCC(=O)[C@H](O)CCCC1
11.1	Hunt	1	0	C1CCC[NH2+]CC1	C1CCCNCC1	mol194	C1CCCNCC1
8.0	Hunt	1	0	C1C[NH2+]1	C1CN1	mol170	C1CN1
4.07	Hunt	0	-1	O=C(O)Cc1ccccc1Cl	O=C([O-])Cc1ccccc1Cl	mol1225	O=C(O)Cc1ccccc1Cl
8.18	Hunt	1	0	CC[C@@H]1C[NH+]1CC	CC[C@@H]1CN1CC	mol1226	CC[C@@H]1C[N@]1CC
8.64	Hunt	1	0	CC1(C)C[NH2+]1	CC1(C)CN1	mol1227	CC1(C)CN1
8.7	Hunt	1	0	C[C@@H]1[NH2+][C@H]1C	C[C@@H]1N[C@H]1C	mol1228	C[C@@H]1N[C@H]1C
7.93	Hunt	1	0	CC[NH+]1CC1	CCN1CC1	mol1229	CCN1CC1
8.56	Hunt	1	0	CC[NH+]1[C@H](C)[C@@H]1C	CCN1[C@H](C)[C@@H]1C	mol1230	CCN1[C@H](C)[C@@H]1C
7.9	Hunt	1	0	C[NH+]1CC1	CN1CC1	mol172	CN1CC1
7.6	Hunt	1	0	CC(C)(C)[NH+]1CCCC(=O)[C@H](O)CCC1	CC(C)(C)N1CCCC(=O)[C@H](O)CCC1	mol1231	CC(C)(C)N1CCCC(=O)[C@H](O)CCC1
4.14	Hunt	0	-1	O=C(O)Cc1cccc(Cl)c1	O=C([O-])Cc1cccc(Cl)c1	mol1232	O=C(O)Cc1cccc(Cl)c1
9.2	Hunt	1	0	CC[NH+]1CCCC(=O)[C@H](O)CCC1	CCN1CCCC(=O)[C@H](O)CCC1	mol1233	CCN1CCCC(=O)[C@H](O)CCC1
9.2	Hunt	1	0	C[NH+]1CCCC(=O)[C@H](O)CCC1	CN1CCCC(=O)[C@H](O)CCC1	mol1234	CN1CCCC(=O)[C@H](O)CCC1
9.65	Hunt	1	0	C=CC[NH+]1CCCCC1	C=CCN1CCCCC1	mol1235	C=CCN1CCCCC1
4.19	Hunt	0	-1	O=C(O)Cc1ccc(Cl)cc1	O=C([O-])Cc1ccc(Cl)cc1	mol1236	O=C(O)Cc1ccc(Cl)cc1
9.54	Hunt	1	0	C[C@@H]1C[C@H](Oc2ccccc2)CC(C)(C)[NH2+]1	C[C@@H]1C[C@H](Oc2ccccc2)CC(C)(C)N1	mol1237	C[C@@H]1C[C@H](Oc2ccccc2)CC(C)(C)N1
10.43	Hunt	1	0	CCCC[NH+]1CCCCC1	CCCCN1CCCCC1	mol1238	CCCCN1CCCCC1
10.7	Hunt	1	0	CCCC[NH+]1CCCC[C@H]1C	CCCCN1CCCC[C@H]1C	mol1239	CCCCN1CCCC[C@H]1C
10.22	Hunt	1	0	C[C@@H]1CCCC[NH+]1C	C[C@@H]1CCCCN1C	mol1240	C[C@@H]1CCCCN1C
4.05	Hunt	0	-1	O=C(O)Cc1ccccc1Br	O=C([O-])Cc1ccccc1Br	mol1241	O=C(O)Cc1ccccc1Br
10.66	Hunt	1	0	CC[NH+]1CCCC[C@H]1C	CCN1CCCC[C@H]1C	mol1242	CCN1CCCC[C@H]1C
10.5	Hunt	1	0	C[C@@H]1CCC[C@H](C)[NH+]1CC(C)(C)O	C[C@@H]1CCC[C@H](C)N1CC(C)(C)O	mol1243	C[C@@H]1CCC[C@H](C)N1CC(C)(C)O
4.19	Hunt	0	-1	O=C(O)Cc1ccc(Br)cc1	O=C([O-])Cc1ccc(Br)cc1	mol1244	O=C(O)Cc1ccc(Br)cc1
11.08	Hunt	1	0	C[C@@H]1CCCC[NH2+]1	C[C@@H]1CCCCN1	mol1245	C[C@@H]1CCCCN1
11.07	Hunt	1	0	C[C@H]1CCC[NH2+]C1	C[C@H]1CCCNC1	mol1246	C[C@H]1CCCNC1
8.65	Hunt	1	0	C[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1	CN1CCC(c2ccccc2)(c2ccccc2)CC1	mol1247	CN1CCC(c2ccccc2)(c2ccccc2)CC1
8.41	Hunt	1	0	C[C@@H](C=C(c1cccs1)c1cccs1)[NH+]1CCCCC1	C[C@@H](C=C(c1cccs1)c1cccs1)N1CCCCC1	mol1248	C[C@@H](C=C(c1cccs1)c1cccs1)N1CCCCC1
7.41	Hunt	1	0	C[C@@H]1CCCC[NH+]1[C@@H](C)C=C(c1cccs1)c1cccs1	C[C@@H]1CCCCN1[C@@H](C)C=C(c1cccs1)c1cccs1	mol1249	C[C@@H]1CCCCN1[C@@H](C)C=C(c1cccs1)c1cccs1
8.23	Hunt	1	0	C[C@@H]1CCC[NH+]([C@@H](C)C=C(c2cccs2)c2cccs2)C1	C[C@@H]1CCCN([C@@H](C)C=C(c2cccs2)c2cccs2)C1	mol1250	C[C@@H]1CCCN([C@@H](C)C=C(c2cccs2)c2cccs2)C1
8.15	Hunt	1	0	CC1CC[NH+]([C@@H](C)C=C(c2cccs2)c2cccs2)CC1	CC1CCN([C@@H](C)C=C(c2cccs2)c2cccs2)CC1	mol1251	CC1CCN([C@@H](C)C=C(c2cccs2)c2cccs2)CC1
9.67	Hunt	1	0	CC[C@@H](C)[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1	CC[C@@H](C)N1CCC(c2ccccc2)(c2ccccc2)CC1	mol1252	CC[C@@H](C)N1CCC(c2ccccc2)(c2ccccc2)CC1
4.04	Hunt	0	-1	O=C(O)Cc1ccccc1I	O=C([O-])Cc1ccccc1I	mol1253	O=C(O)Cc1ccccc1I
11.19	Hunt	1	0	C[NH+]1C(C)(C)CCCC1(C)C	CN1C(C)(C)CCCC1(C)C	mol1254	CN1C(C)(C)CCCC1(C)C
10.9	Hunt	1	0	CCC[C@@H]1CCCC[NH2+]1	CCC[C@@H]1CCCCN1	mol1255	CCC[C@@H]1CCCCN1
10.18	Hunt	1	0	C[C@H]1CC[NH+](C)C(C)(C)C1	C[C@H]1CCN(C)C(C)(C)C1	mol1256	C[C@H]1CCN(C)C(C)(C)C1
4.16	Hunt	0	-1	O=C(O)Cc1cccc(I)c1	O=C([O-])Cc1cccc(I)c1	mol1257	O=C(O)Cc1cccc(I)c1
4.09	Hunt	1	0	CC(=O)Nc1cccc[nH+]1	CC(=O)Nc1ccccn1	mol1258	CC(=O)Nc1ccccn1
6.82	Hunt	1	0	Nc1cccc[nH+]1,[NH3+]c1ccccn1	Nc1ccccn1	mol1259	Nc1ccccn1
4.18	Hunt	0	-1	O=C(O)Cc1ccc(I)cc1	O=C([O-])Cc1ccc(I)cc1	mol1260	O=C(O)Cc1ccc(I)cc1
8.96	Hunt	1	0	C[NH+](C)CCN(Cc1ccccc1)c1ccccn1,CN(C)CC[NH+](Cc1ccccc1)c1ccccn1,CN(C)CCN(Cc1ccccc1)c1cccc[nH+]1	CN(C)CCN(Cc1ccccc1)c1ccccn1	mol1261	CN(C)CCN(Cc1ccccc1)c1ccccn1
3.92	Hunt	2	1	C[NH+](C)CC[NH+](Cc1ccccc1)c1ccccn1,CN(C)CC[NH+](Cc1ccccc1)c1cccc[nH+]1,C[NH+](C)CCN(Cc1ccccc1)c1cccc[nH+]1	C[NH+](C)CCN(Cc1ccccc1)c1ccccn1,CN(C)CC[NH+](Cc1ccccc1)c1ccccn1,CN(C)CCN(Cc1ccccc1)c1cccc[nH+]1	mol1261	CN(C)CCN(Cc1ccccc1)c1ccccn1
4.59	Hunt	0	-1	O=C(O)CCc1cccc(Cl)c1	O=C([O-])CCc1cccc(Cl)c1	mol1262	O=C(O)CCc1cccc(Cl)c1
4.41	Hunt	0	-1	O=C(O)/C=C/c1ccccc1Cl	O=C([O-])/C=C/c1ccccc1Cl	mol1263	O=C(O)/C=C/c1ccccc1Cl
4.29	Hunt	0	-1	O=C(O)/C=C/c1cccc(Cl)c1	O=C([O-])/C=C/c1cccc(Cl)c1	mol1264	O=C(O)/C=C/c1cccc(Cl)c1
8.75	Hunt	1	0	CN(C)CCc1cccc[nH+]1,C[NH+](C)CCc1ccccn1	CN(C)CCc1ccccn1	mol1265	CN(C)CCc1ccccn1
8.7	Hunt	1	0	CN(C)CCc1cc[nH+]cc1,C[NH+](C)CCc1ccncc1	CN(C)CCc1ccncc1	mol1266	CN(C)CCc1ccncc1
8.12	Hunt	1	0	CN(C)Cc1cccc[nH+]1,C[NH+](C)Cc1ccccn1	CN(C)Cc1ccccn1	mol1267	CN(C)Cc1ccccn1
8.0	Hunt	1	0	CN(C)Cc1ccc[nH+]c1,C[NH+](C)Cc1cccnc1	CN(C)Cc1cccnc1	mol1268	CN(C)Cc1cccnc1
3.53	Hunt	0	-1	C[C@](O)(C(=O)O)c1ccccc1	C[C@](O)(C(=O)[O-])c1ccccc1	mol1269	C[C@](O)(C(=O)O)c1ccccc1
4.398	Hunt	0	-1	O=C(O)C[C@H](O)c1ccccc1	O=C([O-])C[C@H](O)c1ccccc1	mol1270	O=C(O)C[C@H](O)c1ccccc1
6.95	Hunt	0	-1	O=Cc1ncccc1O,O=Cc1[nH+]cccc1[O-]	O=Cc1ncccc1[O-]	mol1271	O=Cc1ncccc1O
6.77	Hunt	0	-1	O=Cc1cc[nH+]cc1[O-],O=Cc1ccncc1O	O=Cc1ccncc1[O-]	mol1272	O=Cc1ccncc1O
3.05	Hunt	0	-1	O=C(O)C(O)(c1ccccc1)c1ccccc1	O=C([O-])C(O)(c1ccccc1)c1ccccc1	mol1273	O=C(O)C(O)(c1ccccc1)c1ccccc1
4.61	Hunt	0	-1	O=C(O)/C=C/c1ccccc1O	O=C(O)/C=C/c1ccccc1[O-],O=C([O-])/C=C/c1ccccc1O	mol1274	O=C(O)/C=C/c1ccccc1O
4.396	Hunt	0	-1	O=C(O)/C=C/c1cccc(O)c1	O=C([O-])/C=C/c1cccc(O)c1,O=C(O)/C=C/c1cccc([O-])c1	mol1275	O=C(O)/C=C/c1cccc(O)c1
2.01	Hunt	1	0	CC(=O)N(C)c1cccc[nH+]1	CC(=O)N(C)c1ccccn1	mol1276	CC(=O)N(C)c1ccccn1
8.82	Hunt	1	0	CNCc1cccc[nH+]1,C[NH2+]Cc1ccccn1	CNCc1ccccn1	mol1277	CNCc1ccccn1
4.004	Hunt	0	-1	O=C(O)Cc1ccccc1[N+](=O)[O-]	O=C([O-])Cc1ccccc1[N+](=O)[O-]	mol1278	O=C(O)Cc1ccccc1[N+](=O)[O-]
1.44	Hunt	1	0	CN(C(=O)c1ccccc1)c1cccc[nH+]1	CN(C(=O)c1ccccc1)c1ccccn1	mol1279	CN(C(=O)c1ccccc1)c1ccccn1
8.84	Hunt	1	0	CNc1cccc(C)[nH+]1,C[NH2+]c1cccc(C)n1	CNc1cccc(C)n1	mol1280	CNc1cccc(C)n1
4.504	Hunt	0	-1	O=C(O)CCc1ccccc1[N+](=O)[O-]	O=C([O-])CCc1ccccc1[N+](=O)[O-]	mol1281	O=C(O)CCc1ccccc1[N+](=O)[O-]
4.15	Hunt	0	-1	O=C(O)/C=C/c1ccccc1[N+](=O)[O-]	O=C([O-])/C=C/c1ccccc1[N+](=O)[O-]	mol1282	O=C(O)/C=C/c1ccccc1[N+](=O)[O-]
9.29	Hunt	1	0	c1ccc(CC[NH+]2CCCCC2)nc1,c1ccc(CCN2CCCCC2)[nH+]c1	c1ccc(CCN2CCCCC2)nc1	mol1283	c1ccc(CCN2CCCCC2)nc1
9.06	Hunt	1	0	c1cc(CCN2CCCCC2)cc[nH+]1,c1cc(CC[NH+]2CCCCC2)ccn1	c1cc(CCN2CCCCC2)ccn1	mol1284	c1cc(CCN2CCCCC2)ccn1
8.3	Hunt	1	0	c1cncc(C[NH+]2CCCCC2)c1,c1c[nH+]cc(CN2CCCCC2)c1	c1cncc(CN2CCCCC2)c1	mol1285	c1cncc(CN2CCCCC2)c1
7.88	Hunt	1	0	c1cc(CN2CCCCC2)cc[nH+]1,c1cc(C[NH+]2CCCCC2)ccn1	c1cc(CN2CCCCC2)ccn1	mol1286	c1cc(CN2CCCCC2)ccn1
9.1	Hunt	1	0	c1ccc([C@H]2CCCC[NH2+]2)nc1,c1ccc([C@H]2CCCCN2)[nH+]c1	c1ccc([C@H]2CCCCN2)nc1	mol1287	c1ccc([C@H]2CCCCN2)nc1
9.39	Hunt	1	0	c1ccc(CCN2CCCC2)[nH+]c1,c1ccc(CC[NH+]2CCCC2)nc1	c1ccc(CCN2CCCC2)nc1	mol1288	c1ccc(CCN2CCCC2)nc1
9.28	Hunt	1	0	c1c[nH+]cc(CCN2CCCC2)c1,c1cncc(CC[NH+]2CCCC2)c1	c1cncc(CCN2CCCC2)c1	mol1289	c1cncc(CCN2CCCC2)c1
9.27	Hunt	1	0	c1cc(CC[NH+]2CCCC2)ccn1,c1cc(CCN2CCCC2)cc[nH+]1	c1cc(CCN2CCCC2)ccn1	mol1290	c1cc(CCN2CCCC2)ccn1
8.56	Hunt	1	0	c1ccc(CN2CCCC2)[nH+]c1,c1ccc(C[NH+]2CCCC2)nc1	c1ccc(CN2CCCC2)nc1	mol1291	c1ccc(CN2CCCC2)nc1
8.36	Hunt	1	0	c1c[nH+]cc(CN2CCCC2)c1,c1cncc(C[NH+]2CCCC2)c1	c1cncc(CN2CCCC2)c1	mol1292	c1cncc(CN2CCCC2)c1
8.16	Hunt	1	0	c1cc(CN2CCCC2)cc[nH+]1,c1cc(C[NH+]2CCCC2)ccn1	c1cc(CN2CCCC2)ccn1	mol1293	c1cc(CN2CCCC2)ccn1
9.53	Hunt	1	0	CC1=CCCC[NH2+]1	CC1=CCCCN1	mol1294	CC1=CCCCN1
4.33	Hunt	0	-1	COc1ccc(CC(=O)O)cc1OC	COc1ccc(CC(=O)[O-])cc1OC	mol1295	COc1ccc(CC(=O)O)cc1OC
2.86	Hunt	0	-1	O=C(O)c1cc[n+]([O-])cc1,O=C([O-])c1cc[n+](O)cc1	O=C([O-])c1cc[n+]([O-])cc1	mol1296	O=C(O)c1cc[n+]([O-])cc1
5.76	Hunt	0	-1	[O-][n+]1ccc(O)cc1,[O-]c1cc[n+](O)cc1	[O-]c1cc[n+]([O-])cc1	mol1297	[O-][n+]1ccc(O)cc1
4.46	Hunt	0	-1	COc1ccccc1/C=C/C(=O)O	COc1ccccc1/C=C/C(=O)[O-]	mol1298	COc1ccccc1/C=C/C(=O)O
11.3	Hunt	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
9.51	Hunt	1	0	c1ccc(C[NH+]2CCCC2)cc1	c1ccc(CN2CCCC2)cc1	mol1299	c1ccc(CN2CCCC2)cc1
10.31	Hunt	1	0	c1ccc(C[C@@H]2CCC[NH2+]2)cc1	c1ccc(C[C@@H]2CCCN2)cc1	mol1300	c1ccc(C[C@@H]2CCCN2)cc1
10.36	Hunt	1	0	CCCC[NH+]1CCCC1	CCCCN1CCCC1	mol1301	CCCCN1CCCC1
4.38	Hunt	0	-1	COc1cccc(/C=C/C(=O)O)c1	COc1cccc(/C=C/C(=O)[O-])c1	mol1302	COc1cccc(/C=C/C(=O)O)c1
10.2	Hunt	1	0	C[C@@H]1CCC[NH+]1C	C[C@@H]1CCCN1C	mol1303	C[C@@H]1CCCN1C
10.43	Hunt	1	0	CC[C@@H]1CCC[NH2+]1	CC[C@@H]1CCCN1	mol1304	CC[C@@H]1CCCN1
4.54	Hunt	0	-1	COc1ccc(/C=C/C(=O)O)cc1	COc1ccc(/C=C/C(=O)[O-])cc1	mol1305	COc1ccc(/C=C/C(=O)O)cc1
8.9	Hunt	1	0	COc1ccc([C@@H]2CCC[NH+]2C)cc1	COc1ccc([C@@H]2CCCN2C)cc1	mol1306	COc1ccc([C@@H]2CCCN2C)cc1
10.3	Hunt	1	0	C[NH+]1CCCC1	CN1CCCC1	mol185	CN1CCCC1
8.8	Hunt	1	0	C[NH+]1CCC[C@H]1c1ccccc1	CN1CCC[C@H]1c1ccccc1	mol1307	CN1CCC[C@H]1c1ccccc1
9.78	Hunt	1	0	CCC[C@@H]1CCC[NH+]1C	CCC[C@@H]1CCCN1C	mol1308	CCC[C@@H]1CCCN1C
4.46	Hunt	0	-1	O=C(O)CCSCc1ccccc1	O=C([O-])CCSCc1ccccc1	mol1309	O=C(O)CCSCc1ccccc1
9.35	Hunt	1	0	c1csc([C@@H]2CCC[NH2+]2)c1	c1csc([C@@H]2CCCN2)c1	mol1310	c1csc([C@@H]2CCCN2)c1
4.7	Hunt	1	0	Cc1ccc([NH+]2CCCC2)cc1	Cc1ccc(N2CCCC2)cc1	mol1311	Cc1ccc(N2CCCC2)cc1
7.06	Hunt	1	0	C1=C(Cc2ccccc2)[NH2+]CC1	C1=C(Cc2ccccc2)NCC1	mol1312	C1=C(Cc2ccccc2)NCC1
11.84	Hunt	1	0	CCCCC1=CCC[NH+]1C	CCCCC1=CCCN1C	mol1313	CCCCC1=CCCN1C
7.87	Hunt	1	0	CCC1=CCC[NH2+]1	CCC1=CCCN1	mol1314	CCC1=CCCN1
7.55	Hunt	1	0	Cc1ccc(C2=CCC[NH2+]2)cc1	Cc1ccc(C2=CCCN2)cc1	mol1315	Cc1ccc(C2=CCCN2)cc1
9.88	Hunt	1	0	C[NH+]1CC=CC1	CN1CC=CC1	mol1316	CN1CC=CC1
4.24	Hunt	0	-1	O=C(O)[C@H](O)c1cccc(F)c1	O=C([O-])[C@H](O)c1cccc(F)c1	mol1317	O=C(O)[C@H](O)c1cccc(F)c1
3.23	Hunt	0	-1	O=C(O)[C@H](O)c1cccc(Br)c1	O=C([O-])[C@H](O)c1cccc(Br)c1	mol1318	O=C(O)[C@H](O)c1cccc(Br)c1
8.5	Hunt	1	0	C1COCC[NH2+]1	C1COCCN1	mol186	C1COCCN1
3.26	Hunt	0	-1	O=C(O)[C@H](O)c1cccc(I)c1	O=C([O-])[C@H](O)c1cccc(I)c1	mol1319	O=C(O)[C@H](O)c1cccc(I)c1
6.83	Hunt	1	0	CC(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	CC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1320	CC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
6.23	Hunt	1	0	CC(=O)[C@H](C[NH+]1CCOCC1)c1ccccc1	CC(=O)[C@H](CN1CCOCC1)c1ccccc1	mol1321	CC(=O)[C@H](CN1CCOCC1)c1ccccc1
7.02	Hunt	1	0	C=CC[NH+]1CCOCC1	C=CCN1CCOCC1	mol1322	C=CCN1CCOCC1
6.17	Hunt	1	0	O=C(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1	O=C(c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1	mol1323	O=C(c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1
6.04	Hunt	1	0	N#CC(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1324	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1
6.05	Hunt	1	0	C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)[NH+]1CCOCC1	C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)N1CCOCC1	mol1325	C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)N1CCOCC1
7.17	Hunt	1	0	CCCC(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	CCCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1326	CCCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
6.95	Hunt	1	0	CCC(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	CCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1327	CCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
6.68	Hunt	1	0	CCC(=O)C(C[C@H](C)[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	CCC(=O)C(C[C@H](C)N1CCOCC1)(c1ccccc1)c1ccccc1	mol1328	CCC(=O)C(C[C@H](C)N1CCOCC1)(c1ccccc1)c1ccccc1
7.12	Hunt	1	0	CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)C[NH+]1CCOCC1	CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)CN1CCOCC1	mol1329	CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)CN1CCOCC1
6.85	Hunt	1	0	C[C@@H](CC(c1ccccc1)c1ccccc1)[NH+]1CCOCC1	C[C@@H](CC(c1ccccc1)c1ccccc1)N1CCOCC1	mol1330	C[C@@H](CC(c1ccccc1)c1ccccc1)N1CCOCC1
7.9	Hunt	1	0	CC(=O)N1CC[NH2+]CC1	CC(=O)N1CCNCC1	mol222	CC(=O)N1CCNCC1
7.75	Hunt	1	0	O=C(c1ccccc1)N1CC[NH2+]CC1	O=C(c1ccccc1)N1CCNCC1	mol1331	O=C(c1ccccc1)N1CCNCC1
6.78	Hunt	1	0	C[NH+]1CCN(C(=O)c2ccccc2)CC1	CN1CCN(C(=O)c2ccccc2)CC1	mol1332	CN1CCN(C(=O)c2ccccc2)CC1
8.2	Hunt	1	0	CCOC(=O)N1CC[NH2+]CC1	CCOC(=O)N1CCNCC1	mol235	CCOC(=O)N1CCNCC1
7.31	Hunt	1	0	CCOC(=O)N1CC[NH+](C)CC1	CCOC(=O)N1CCN(C)CC1	mol1333	CCOC(=O)N1CCN(C)CC1
4.96	Hunt	0	-1	O=C(O)CCC(=O)c1ccc2ccccc2c1	O=C([O-])CCC(=O)c1ccc2ccccc2c1	mol1334	O=C(O)CCC(=O)c1ccc2ccccc2c1
8.72	Hunt	0	-1	[O-]c1ccn[nH+]c1,Oc1ccnnc1,[O-]c1cc[nH+]nc1	[O-]c1ccnnc1	mol1335	Oc1ccnnc1
3.45	Hunt	1	0	Nc1nccc[nH+]1,[NH3+]c1ncccn1	Nc1ncccn1	mol1336	Nc1ncccn1
3.899	Hunt	0	-1	COC(=O)CC(C(=O)O)(c1ccccc1)c1ccccc1	COC(=O)CC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol1337	COC(=O)CC(C(=O)O)(c1ccccc1)c1ccccc1
4.0	Hunt	0	-1	COC(=O)CCC(C(=O)O)(c1ccccc1)c1ccccc1	COC(=O)CCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol1338	COC(=O)CCC(C(=O)O)(c1ccccc1)c1ccccc1
3.74	Hunt	1	0	Nc1nc(-c2ccccc2)cc(-c2ccccc2)[nH+]1,[NH3+]c1nc(-c2ccccc2)cc(-c2ccccc2)n1	Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	mol1339	Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
4.11	Hunt	1	0	Cc1cc[nH+]c(N)n1,Cc1ccnc(N)[nH+]1,Cc1ccnc([NH3+])n1	Cc1ccnc(N)n1	mol1340	Cc1ccnc(N)n1
2.09	Hunt	1	0	C[NH2+]c1ncc(Br)cn1,CNc1ncc(Br)c[nH+]1	CNc1ncc(Br)cn1	mol1342	CNc1ncc(Br)cn1
4.14	Hunt	1	0	CCCC[NH2+]c1ncccn1,CCCCNc1nccc[nH+]1	CCCCNc1ncccn1	mol1343	CCCCNc1ncccn1
2.85	Hunt	0	-1	O=C(O)c1ncccn1,O=C([O-])c1nccc[nH+]1	O=C([O-])c1ncccn1	mol1344	O=C(O)c1ncccn1
2.59	Hunt	1	0	CNc1nccc(Cl)[nH+]1,C[NH2+]c1nccc(Cl)n1,CNc1nc(Cl)cc[nH+]1	CNc1nccc(Cl)n1	mol1345	CNc1nccc(Cl)n1
9.71	Hunt	0	-1	Cn1ccc(O)nc1=O	Cn1ccc([O-])nc1=O	mol1346	Cn1ccc(O)nc1=O
4.36	Hunt	0	-1	COC(=O)[C@H](CC(=O)O)c1ccccc1	COC(=O)[C@H](CC(=O)[O-])c1ccccc1	mol1347	COC(=O)[C@H](CC(=O)O)c1ccccc1
10.49	Hunt	0	-1	CN(C)c1cc([O-])nc[nH+]1,CN(C)c1cc(O)ncn1,C[NH+](C)c1cc([O-])ncn1	CN(C)c1cc([O-])ncn1	mol1348	CN(C)c1cc(O)ncn1
4.05	Hunt	0	-1	COC(=O)C[C@@H](C(=O)O)c1ccccc1	COC(=O)C[C@@H](C(=O)[O-])c1ccccc1	mol1349	COC(=O)C[C@@H](C(=O)O)c1ccccc1
5.23	Hunt	1	0	CNc1nc(C)cc(C)[nH+]1,C[NH2+]c1nc(C)cc(C)n1	CNc1nc(C)cc(C)n1	mol1350	CNc1nc(C)cc(C)n1
10.7	Hunt	0	-1	CCOc1ccnc(O)n1	CCOc1ccnc([O-])n1	mol1351	CCOc1ccnc(O)n1
3.89	Hunt	1	0	CC[NH2+]c1ncccn1,CCNc1nccc[nH+]1	CCNc1ncccn1	mol1352	CCNc1ncccn1
6.8	Hunt	0	-1	[O-]c1cnc[nH+]c1,Oc1cncnc1	[O-]c1cncnc1	mol1353	Oc1cncnc1
8.64	Hunt	0	-1	COc1cncnc1O,COc1c[nH+]cnc1[O-]	COc1cncnc1[O-]	mol1354	COc1cncnc1O
8.5	Hunt	0	-1	COc1nc([O-])cc(C)[nH+]1,COc1nc(C)cc(O)n1	COc1nc(C)cc([O-])n1	mol1355	COc1nc(C)cc(O)n1
9.1	Hunt	0	-1	Cc1cc([O-])nc[nH+]1,Cc1cc(O)ncn1	Cc1cc([O-])ncn1	mol1356	Cc1cc(O)ncn1
5.74	Hunt	1	0	CNc1nccc(OC)[nH+]1,C[NH2+]c1nccc(OC)n1,CNc1nc(OC)cc[nH+]1	CNc1nccc(OC)n1	mol1357	CNc1nccc(OC)n1
3.79	Hunt	1	0	CNc1nccc[nH+]1,C[NH2+]c1ncccn1	CNc1ncccn1	mol1358	CNc1ncccn1
4.03	Hunt	1	0	CCCCC[NH2+]c1ncccn1,CCCCCNc1nccc[nH+]1	CCCCCNc1ncccn1	mol1359	CCCCCNc1ncccn1
10.28	Hunt	0	-1	Cc1ccccc1O	Cc1ccccc1[O-]	mol1360	Cc1ccccc1O
9.0	Hunt	1	0	C1CSCC[NH2+]1	C1CSCCN1	mol205	C1CSCCN1
10.09	Hunt	0	-1	Cc1cccc(O)c1	Cc1cccc([O-])c1	mol1361	Cc1cccc(O)c1
9.48	Hunt	1	0	[NH3+]CCc1cscn1,NCCc1csc[nH+]1	NCCc1cscn1	mol1362	NCCc1cscn1
10.26	Hunt	0	-1	Cc1ccc(O)cc1	Cc1ccc([O-])cc1	mol1363	Cc1ccc(O)cc1
2.0	Hunt	0	-1	O=C(O)/C=C\C(=O)O	O=C([O-])/C=C\C(=O)O	mol1364	O=C(O)/C=C\C(=O)O
6.25	Hunt	-1	-2	O=C([O-])/C=C\C(=O)O	O=C([O-])/C=C\C(=O)[O-]	mol1364	O=C(O)/C=C\C(=O)O
10.5	Hunt	0	-1	Cc1cccc(O)c1C	Cc1cccc([O-])c1C	mol1365	Cc1cccc(O)c1C
10.59	Hunt	0	-1	Cc1cccc(C)c1O	Cc1cccc(C)c1[O-]	mol1366	Cc1cccc(C)c1O
10.15	Hunt	0	-1	Cc1cc(C)cc(O)c1	Cc1cc(C)cc([O-])c1	mol1367	Cc1cc(C)cc(O)c1
7.59	Hunt	1	0	[NH3+]c1nccc2ccccc12,Nc1[nH+]ccc2ccccc12	Nc1nccc2ccccc12	mol1368	Nc1nccc2ccccc12
10.88	Hunt	0	-1	Cc1cc(C)c(O)c(C)c1	Cc1cc(C)c([O-])c(C)c1	mol1369	Cc1cc(C)c(O)c(C)c1
8.7	Hunt	0	-1	Oc1cncc2ccccc12,[O-]c1c[nH+]cc2ccccc12	[O-]c1cncc2ccccc12	mol1370	Oc1cncc2ccccc12
9.17	Hunt	0	-1	Oc1ccc2cnccc2c1,[O-]c1ccc2c[nH+]ccc2c1	[O-]c1ccc2cnccc2c1	mol1371	Oc1ccc2cnccc2c1
10.1	Hunt	0	-1	CCc1cc(C)cc(O)c1	CCc1cc(C)cc([O-])c1	mol1372	CCc1cc(C)cc(O)c1
8.42	Hunt	0	-1	Oc1cccc2ccncc12,[O-]c1cccc2cc[nH+]cc12	[O-]c1cccc2ccncc12	mol1373	Oc1cccc2ccncc12
10.32	Hunt	0	-1	Oc1ccc2c(c1)CCC2	[O-]c1ccc2c(c1)CCC2	mol1374	Oc1ccc2c(c1)CCC2
9.41	Hunt	1	0	c1ccc2c(c1)CC[NH2+]C2	c1ccc2c(c1)CCNC2	mol1375	c1ccc2c(c1)CCNC2
4.9	Hunt	1	0	C[n+]1cc(O)c2ccccc2c1	C[n+]1cc([O-])c2ccccc2c1	mol1376	C[n+]1cc(O)c2ccccc2c1
6.87	Hunt	1	0	C[n+]1ccc2c(O)cccc2c1	C[n+]1ccc2c([O-])cccc2c1	mol1377	C[n+]1ccc2c(O)cccc2c1
7.06	Hunt	1	0	C[n+]1ccc2ccc(O)cc2c1	C[n+]1ccc2ccc([O-])cc2c1	mol1378	C[n+]1ccc2ccc(O)cc2c1
5.03	Hunt	0	-1	CC(C)(C)C(=O)O	CC(C)(C)C(=O)[O-]	mol1379	CC(C)(C)C(=O)O
10.48	Hunt	0	-1	Oc1ccc2c(c1)CCCC2	[O-]c1ccc2c(c1)CCCC2	mol1380	Oc1ccc2c(c1)CCCC2
4.8	Hunt	0	-1	O=C(O)c1ccc(O)c2ncccc12,O=C([O-])c1ccc(O)c2[nH+]cccc12,O=C(O)c1ccc([O-])c2[nH+]cccc12	O=C([O-])c1ccc([O-])c2[nH+]cccc12,O=C(O)c1ccc([O-])c2ncccc12,O=C([O-])c1ccc(O)c2ncccc12	mol1381	O=C(O)c1ccc(O)c2ncccc12
9.55	Hunt	0	-1	Oc1ccc(-c2ccccc2)cc1	[O-]c1ccc(-c2ccccc2)cc1	mol1382	Oc1ccc(-c2ccccc2)cc1
8.7	Hunt	0	-1	[O-]c1c(Cl)ccc2ccc[nH+]c12,Oc1c(Cl)ccc2cccnc12	[O-]c1c(Cl)ccc2cccnc12	mol1383	Oc1c(Cl)ccc2cccnc12
7.62	Hunt	0	-1	Oc1c(Cl)cc(Cl)c2cccnc12,[O-]c1c(Cl)cc(Cl)c2ccc[nH+]c12	[O-]c1c(Cl)cc(Cl)c2cccnc12	mol1384	Oc1c(Cl)cc(Cl)c2cccnc12
9.57	Hunt	0	-1	Oc1ccc2ccccc2c1	[O-]c1ccc2ccccc2c1	mol1385	Oc1ccc2ccccc2c1
11.3	Hunt	0	-1	CCN(CC)Cc1ccc2ccc[nH+]c2c1[O-],CCN(CC)Cc1ccc2cccnc2c1O,CC[NH+](CC)Cc1ccc2cccnc2c1[O-]	CCN(CC)Cc1ccc2cccnc2c1[O-]	mol1386	CCN(CC)Cc1ccc2cccnc2c1O
11.62	Hunt	0	-1	Oc1ccccn1	[O-]c1ccccn1	mol1387	Oc1ccccn1
11.0	Hunt	0	-1	C[NH+](C)Cc1ccc2cccnc2c1[O-],CN(C)Cc1ccc2cccnc2c1O,CN(C)Cc1ccc2ccc[nH+]c2c1[O-]	CN(C)Cc1ccc2cccnc2c1[O-]	mol1388	CN(C)Cc1ccc2cccnc2c1O
10.0	Hunt	0	-1	Cc1cc[nH+]c2c([O-])cccc12,Cc1ccnc2c(O)cccc12	Cc1ccnc2c([O-])cccc12	mol1389	Cc1ccnc2c(O)cccc12
11.76	Hunt	0	-1	Oc1ccc2ccccc2n1	[O-]c1ccc2ccccc2n1	mol1390	Oc1ccc2ccccc2n1
11.28	Hunt	0	-1	[O-]c1cc[nH+]c2ccccc12,Oc1ccnc2ccccc12	[O-]c1ccnc2ccccc12	mol1391	Oc1ccnc2ccccc12
8.56	Hunt	0	-1	[O-]c1cccc2[nH+]cccc12,Oc1cccc2ncccc12	[O-]c1cccc2ncccc12	mol1392	Oc1cccc2ncccc12
8.9	Hunt	0	-1	[O-]c1ccc2[nH+]cccc2c1,Oc1ccc2ncccc2c1	[O-]c1ccc2ncccc2c1	mol1393	Oc1ccc2ncccc2c1
8.87	Hunt	0	-1	[O-]c1ccc2ccc[nH+]c2c1,Oc1ccc2cccnc2c1	[O-]c1ccc2cccnc2c1	mol1394	Oc1ccc2cccnc2c1
10.2	Hunt	0	-1	Cc1cc2cccc(O)c2nc1C,Cc1cc2cccc([O-])c2[nH+]c1C	Cc1cc2cccc([O-])c2nc1C	mol1395	Cc1cc2cccc(O)c2nc1C
9.7	Hunt	0	-1	CCCc1ccc([O-])c2[nH+]cccc12,CCCc1ccc(O)c2ncccc12	CCCc1ccc([O-])c2ncccc12	mol1396	CCCc1ccc(O)c2ncccc12
9.15	Hunt	0	-1	Oc1cccc(O)c1	[O-]c1cccc(O)c1	mol1397	Oc1cccc(O)c1
9.91	Hunt	0	-1	Oc1ccc(O)cc1	[O-]c1ccc(O)cc1	mol1398	Oc1ccc(O)cc1
5.03	Hunt	1	0	c1ccc2c(c1)CCC[NH2+]2	c1ccc2c(c1)CCCN2	mol1399	c1ccc2c(c1)CCCN2
5.39	Hunt	1	0	C[n+]1cc(O)cc2ccccc21	C[n+]1cc([O-])cc2ccccc21	mol1400	C[n+]1cc(O)cc2ccccc21
7.12	Hunt	1	0	C[n+]1cccc2cc(O)ccc21	C[n+]1cccc2cc([O-])ccc21	mol1401	C[n+]1cccc2cc(O)ccc21
6.78	Hunt	1	0	C[n+]1cccc2cccc(O)c21	C[n+]1cccc2cccc([O-])c21	mol1402	C[n+]1cccc2cccc(O)c21
8.81	Hunt	0	-1	Oc1ccccc1F	[O-]c1ccccc1F	mol1403	Oc1ccccc1F
10.95	Hunt	1	0	C1C[NH+]2CCC1CC2	C1CN2CCC1CC2	mol1404	C1CN2CCC1CC2
10.23	Hunt	1	0	c1ccc([C@@H]2C[NH+]3CCC2CC3)cc1	c1ccc([C@@H]2CN3CCC2CC3)cc1	mol1405	c1ccc([C@@H]2CN3CCC2CC3)cc1
9.1	Hunt	1	0	C1=C(c2ccccc2)C2CC[NH+]1CC2	C1=C(c2ccccc2)C2CCN1CC2	mol1406	C1=C(c2ccccc2)C2CCN1CC2
8.11	Hunt	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
9.08	Hunt	0	-1	Oc1cccc(Cl)c1	[O-]c1cccc(Cl)c1	mol1408	Oc1cccc(Cl)c1
9.42	Hunt	0	-1	Oc1ccc(Cl)cc1	[O-]c1ccc(Cl)cc1	mol1409	Oc1ccc(Cl)cc1
8.85	Hunt	0	-1	Oc1cccc2scnc12,[O-]c1cccc2sc[nH+]c12	[O-]c1cccc2scnc12	mol1410	Oc1cccc2scnc12
9.34	Hunt	0	-1	Oc1ccc(Br)cc1	[O-]c1ccc(Br)cc1	mol1411	Oc1ccc(Br)cc1
8.63	Hunt	0	-1	Oc1cc2ccccc2nn1,[O-]c1cc2ccccc2[nH+]n1	[O-]c1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1
9.3	Hunt	0	-1	Oc1cnnc2ccccc12,[O-]c1cn[nH+]c2ccccc12,[O-]c1c[nH+]nc2ccccc12	[O-]c1cnnc2ccccc12	mol1413	Oc1cnnc2ccccc12
8.46	Hunt	0	-1	Oc1ccccc1I	[O-]c1ccccc1I	mol1414	Oc1ccccc1I
7.55	Hunt	0	-1	[O-]c1ccc2[nH+]nccc2c1,Oc1ccc2nnccc2c1,[O-]c1ccc2n[nH+]ccc2c1	[O-]c1ccc2nnccc2c1	mol1415	Oc1ccc2nnccc2c1
7.59	Hunt	0	-1	Oc1ccc2ccnnc2c1,[O-]c1ccc2ccn[nH+]c2c1,[O-]c1ccc2cc[nH+]nc2c1	[O-]c1ccc2ccnnc2c1	mol1416	Oc1ccc2ccnnc2c1
8.22	Hunt	0	-1	[O-]c1cccc2ccn[nH+]c12,Oc1cccc2ccnnc12,[O-]c1cccc2cc[nH+]nc12	[O-]c1cccc2ccnnc12	mol1417	Oc1cccc2ccnnc12
8.36	Hunt	0	-1	Cc1c[nH+]nc2c([O-])cccc12,Cc1cnnc2c(O)cccc12,Cc1cn[nH+]c2c([O-])cccc12	Cc1cnnc2c([O-])cccc12	mol1418	Cc1cnnc2c(O)cccc12
9.2	Hunt	0	-1	Oc1ccc(I)cc1	[O-]c1ccc(I)cc1	mol1419	Oc1ccc(I)cc1
8.35	Hunt	0	-1	[O-]c1cncc2ccc[nH+]c12,[O-]c1c[nH+]cc2cccnc12,Oc1cncc2cccnc12	[O-]c1cncc2cccnc12	mol1420	Oc1cncc2cccnc12
12.04	Hunt	0	-1	Oc1nccc2cccnc12,[O-]c1nccc2ccc[nH+]c12	[O-]c1nccc2cccnc12	mol1421	Oc1nccc2cccnc12
7.95	Hunt	0	-1	N#Cc1ccc(O)cc1	N#Cc1ccc([O-])cc1	mol1422	N#Cc1ccc(O)cc1
8.21	Hunt	0	-1	Cc1cc(O)cc(C)c1C#N	Cc1cc([O-])cc(C)c1C#N	mol1423	Cc1cc(O)cc(C)c1C#N
7.6	Hunt	0	-1	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1O	mol1424	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
10.65	Hunt	-1	-2	[O-]c1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O	[O-]c1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1[O-]	mol1425	Oc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O
10.73	Hunt	0	-1	Oc1ncc2ccccc2n1	[O-]c1ncc2ccccc2n1	mol1426	Oc1ncc2ccccc2n1
9.87	Hunt	0	-1	Oc1ncnc2ccccc12,[O-]c1nc[nH+]c2ccccc12	[O-]c1ncnc2ccccc12	mol1427	Oc1ncnc2ccccc12
7.41	Hunt	0	-1	Oc1cccc2ncncc12,[O-]c1cccc2nc[nH+]cc12,[O-]c1cccc2[nH+]cncc12	[O-]c1cccc2ncncc12	mol1428	Oc1cccc2ncncc12
8.21	Hunt	0	-1	[O-]c1ccc2[nH+]cncc2c1,[O-]c1ccc2nc[nH+]cc2c1,Oc1ccc2ncncc2c1	[O-]c1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
8.67	Hunt	0	-1	[O-]c1cccc2cnc[nH+]c12,[O-]c1cccc2c[nH+]cnc12,Oc1cccc2cncnc12	[O-]c1cccc2cncnc12	mol1430	Oc1cccc2cncnc12
9.41	Hunt	0	-1	Cc1nc(C)c2cccc([O-])c2[nH+]1,Cc1nc2c([O-])cccc2c(C)[nH+]1,Cc1nc(C)c2cccc(O)c2n1	Cc1nc(C)c2cccc([O-])c2n1	mol1431	Cc1nc(C)c2cccc(O)c2n1
8.77	Hunt	0	-1	Cc1nc[nH+]c2c([O-])cccc12,Cc1ncnc2c(O)cccc12,Cc1[nH+]cnc2c([O-])cccc12	Cc1ncnc2c([O-])cccc12	mol1432	Cc1ncnc2c(O)cccc12
8.25	Hunt	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-]
9.14	Hunt	0	-1	[O-]c1c[nH+]c2ccccc2n1,Oc1cnc2ccccc2n1	[O-]c1cnc2ccccc2n1	mol1434	Oc1cnc2ccccc2n1
8.68	Hunt	0	-1	Oc1cccc2nccnc12,[O-]c1cccc2[nH+]ccnc12,[O-]c1cccc2ncc[nH+]c12	[O-]c1cccc2nccnc12	mol1435	Oc1cccc2nccnc12
9.9	Hunt	0	-1	Cc1[nH+]c2ccccc2nc1[O-],Cc1nc2ccccc2nc1O	Cc1nc2ccccc2nc1[O-]	mol1436	Cc1nc2ccccc2nc1O
8.86	Hunt	0	-1	Cc1cc(C)c([N+](=O)[O-])c(C)c1O	Cc1cc(C)c([N+](=O)[O-])c(C)c1[O-]	mol1437	Cc1cc(C)c([N+](=O)[O-])c(C)c1O
8.98	Hunt	0	-1	Oc1ncc2cccnc2n1,[O-]c1ncc2ccc[nH+]c2n1	[O-]c1ncc2cccnc2n1	mol1438	Oc1ncc2cccnc2n1
0.16	Hunt	0	-1	O=S(=O)(O)c1cccc2ccccc12	O=S(=O)([O-])c1cccc2ccccc12	mol1439	O=S(=O)(O)c1cccc2ccccc12
6.4	Hunt	1	0	CCOP(=O)(C[NH+](CC)CC)OCC	CCOP(=O)(CN(CC)CC)OCC	mol1440	CCOP(=O)(CN(CC)CC)OCC
8.4	Hunt	1	0	CCOP(=O)(OCC)OCC[NH+](CC)CC	CCOP(=O)(OCC)OCCN(CC)CC	mol1441	CCOP(=O)(OCC)OCCN(CC)CC
8.0	Hunt	1	0	CCOP(=O)(OCC)OCC[NH+](C)C	CCOP(=O)(OCC)OCCN(C)C	mol1442	CCOP(=O)(OCC)OCCN(C)C
8.06	Hunt	1	0	CC(C)OP(=O)(OCC[NH+](C)C)OC(C)C	CC(C)OP(=O)(OCCN(C)C)OC(C)C	mol1443	CC(C)OP(=O)(OCCN(C)C)OC(C)C
7.7	Hunt	1	0	CC(C)OP(=O)(OC(C)C)SCC[NH+](C)C	CC(C)OP(=O)(OC(C)C)SCCN(C)C	mol1444	CC(C)OP(=O)(OC(C)C)SCCN(C)C
7.77	Hunt	1	0	CCO[P@](C)(=O)SCC[NH+](C)C	CCO[P@](C)(=O)SCCN(C)C	mol1445	CCO[P@](C)(=O)SCCN(C)C
9.55	Hunt	1	0	C[NH2+]CCCCO	CNCCCCO	mol1446	CNCCCCO
9.1	Hunt	1	0	CC[C@H](O)C[NH+](CC)CCO	CC[C@H](O)CN(CC)CCO	mol1447	CC[C@H](O)CN(CC)CCO
8.33	Hunt	1	0	Cc1ccc([C@@H]2C[C@H]2[NH3+])cc1	Cc1ccc([C@@H]2C[C@H]2N)cc1	mol1448	Cc1ccc([C@@H]2C[C@H]2N)cc1
10.93	Hunt	1	0	C1CCC([NH2+]C2CCCC2)C1	C1CCC(NC2CCCC2)C1	mol1449	C1CCC(NC2CCCC2)C1
4.58	Hunt	1	0	[NH3+]c1ccc2c3c(cccc13)CC2	Nc1ccc2c3c(cccc13)CC2	mol1450	Nc1ccc2c3c(cccc13)CC2
9.4	Hunt	1	0	COCCC[NH+](C)C	COCCCN(C)C	mol214	COCCCN(C)C
10.8	Hunt	1	0	C=CC(C)(C)[NH2+]C(C)(C)CC	C=CC(C)(C)NC(C)(C)CC	mol1451	C=CC(C)(C)NC(C)(C)CC
9.0	Hunt	1	0	C#CC(C)(C)[NH2+]C(C)(C)CC	C#CC(C)(C)NC(C)(C)CC	mol1452	C#CC(C)(C)NC(C)(C)CC
10.55	Hunt	1	0	CC[C@@H](C)C[C@@H](C)[NH3+]	CC[C@@H](C)C[C@@H](C)N	mol1453	CC[C@@H](C)C[C@@H](C)N
9.0	Hunt	1	0	CCCCCC[NH+](CCO)C[C@@H](O)CC	CCCCCCN(CCO)C[C@@H](O)CC	mol1454	CCCCCCN(CCO)C[C@@H](O)CC
3.44	Hunt	1	0	CC(C)(C)Sc1ccc([NH3+])cc1	CC(C)(C)Sc1ccc(N)cc1	mol1455	CC(C)(C)Sc1ccc(N)cc1
-0.28	Hunt	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
3.24	Hunt	1	0	[NH3+]c1cccc(C(=O)OC(F)(F)C(F)(F)F)c1	Nc1cccc(C(=O)OC(F)(F)C(F)(F)F)c1	mol1457	Nc1cccc(C(=O)OC(F)(F)C(F)(F)F)c1
3.78	Hunt	1	0	[NH3+]c1ccc(C(=O)OC(F)(F)C(F)(F)F)cc1	Nc1ccc(C(=O)OC(F)(F)C(F)(F)F)cc1	mol1458	Nc1ccc(C(=O)OC(F)(F)C(F)(F)F)cc1
4.67	Hunt	1	0	[NH3+]c1ccc2c(c1)Cc1c-2ccc2ccccc12	Nc1ccc2c(c1)Cc1c-2ccc2ccccc12	mol1459	Nc1ccc2c(c1)Cc1c-2ccc2ccccc12
11.13	Hunt	1	0	CC(C)(C)[NH+]1CCCC1	CC(C)(C)N1CCCC1	mol1460	CC(C)(C)N1CCCC1
11.4	Hunt	1	0	C[C@@H]1[C@@H](C)C(C)(C)[NH2+]C1(C)C	C[C@@H]1[C@@H](C)C(C)(C)NC1(C)C	mol1461	C[C@@H]1[C@@H](C)C(C)(C)NC1(C)C
8.4	Hunt	1	0	CC(=O)OCC[NH+](C)C	CC(=O)OCCN(C)C	mol224	CC(=O)OCCN(C)C
8.56	Hunt	1	0	[NH3+]CCCl	NCCCl	mol1462	NCCCl
7.3	Hunt	1	0	[NH3+]CC(F)F	NCC(F)F	mol182	NCC(F)F
9.0	Hunt	1	0	[NH3+]CCF	NCCF	mol176	NCCF
8.31	Hunt	1	0	CCCC(=O)OCC[NH+](C)C	CCCC(=O)OCCN(C)C	mol1463	CCCC(=O)OCCN(C)C
8.32	Hunt	1	0	CCCC(=O)SCC[NH+](C)C	CCCC(=O)SCCN(C)C	mol1464	CCCC(=O)SCCN(C)C
8.29	Hunt	1	0	CCC(=O)OCC[NH+](C)C	CCC(=O)OCCN(C)C	mol1465	CCC(=O)OCCN(C)C
8.28	Hunt	1	0	CCC(=O)SCC[NH+](C)C	CCC(=O)SCCN(C)C	mol1466	CCC(=O)SCCN(C)C
11.12	Hunt	1	0	CC[NH2+]C[Si](C)(C)C	CCNC[Si](C)(C)C	mol1467	CCNC[Si](C)(C)C
9.0	Hunt	1	0	CC(=O)OCCC[NH+](C)C	CC(=O)OCCCN(C)C	mol230	CC(=O)OCCCN(C)C
6.58	Hunt	1	0	[NH3+]CC(Cl)(Cl)C(Cl)(Cl)Cl	NCC(Cl)(Cl)C(Cl)(Cl)Cl	mol1468	NCC(Cl)(Cl)C(Cl)(Cl)Cl
10.1	Hunt	1	0	C=CC(C)(C)[NH2+]C(C)(C)C=C	C=CC(C)(C)NC(C)(C)C=C	mol1469	C=CC(C)(C)NC(C)(C)C=C
9.45	Hunt	1	0	CCC[C@H]([NH3+])c1ccccc1	CCC[C@H](N)c1ccccc1	mol1470	CCC[C@H](N)c1ccccc1
9.88	Hunt	1	0	C[C@H]([NH3+])c1cccc(Br)c1	C[C@H](N)c1cccc(Br)c1	mol1471	C[C@H](N)c1cccc(Br)c1
8.8	Hunt	1	0	C[C@H]([NH3+])c1ccccc1Cl	C[C@H](N)c1ccccc1Cl	mol1472	C[C@H](N)c1ccccc1Cl
9.1	Hunt	1	0	C[C@H]([NH3+])c1ccc(Cl)cc1	C[C@H](N)c1ccc(Cl)cc1	mol1473	C[C@H](N)c1ccc(Cl)cc1
9.22	Hunt	1	0	C[C@H]([NH3+])c1ccc(F)cc1	C[C@H](N)c1ccc(F)cc1	mol1474	C[C@H](N)c1ccc(F)cc1
9.47	Hunt	1	0	COc1ccc([C@H](C)[NH3+])cc1	COc1ccc([C@H](C)N)cc1	mol1475	COc1ccc([C@H](C)N)cc1
9.41	Hunt	1	0	Cc1cccc([C@H](C)[NH3+])c1	Cc1cccc([C@H](C)N)c1	mol1476	Cc1cccc([C@H](C)N)c1
8.56	Hunt	1	0	C[C@H]([NH3+])c1cccc([N+](=O)[O-])c1	C[C@H](N)c1cccc([N+](=O)[O-])c1	mol1477	C[C@H](N)c1cccc([N+](=O)[O-])c1
8.5	Hunt	1	0	C[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1	C[C@H](N)c1ccc([N+](=O)[O-])cc1	mol1478	C[C@H](N)c1ccc([N+](=O)[O-])cc1
8.77	Hunt	1	0	C[C@H]([NH3+])c1cccc(C(F)(F)F)c1	C[C@H](N)c1cccc(C(F)(F)F)c1	mol1479	C[C@H](N)c1cccc(C(F)(F)F)c1
8.87	Hunt	1	0	CCCCC[C@@H]([NH3+])c1ccccc1	CCCCC[C@@H](N)c1ccccc1	mol1480	CCCCC[C@@H](N)c1ccccc1
8.78	Hunt	1	0	[NH3+]C[C@H](O)c1ccc(Cl)c(Cl)c1	NC[C@H](O)c1ccc(Cl)c(Cl)c1	mol1481	NC[C@H](O)c1ccc(Cl)c(Cl)c1
9.18	Hunt	1	0	COc1ccc(OC)c(C[C@@H]([NH3+])CO)c1	COc1ccc(OC)c(C[C@@H](N)CO)c1	mol1482	COc1ccc(OC)c(C[C@@H](N)CO)c1
9.47	Hunt	1	0	CC(C)C[C@H]([NH3+])c1ccccc1	CC(C)C[C@H](N)c1ccccc1	mol1483	CC(C)C[C@H](N)c1ccccc1
8.47	Hunt	1	0	CC(C)C[C@H]([NH3+])c1ccc(Cl)cc1	CC(C)C[C@H](N)c1ccc(Cl)cc1	mol1484	CC(C)C[C@H](N)c1ccc(Cl)cc1
9.25	Hunt	1	0	CC(C)C[C@H]([NH3+])c1ccc(F)cc1	CC(C)C[C@H](N)c1ccc(F)cc1	mol1485	CC(C)C[C@H](N)c1ccc(F)cc1
9.02	Hunt	1	0	CC(C)CC[C@H]([NH3+])c1ccccc1	CC(C)CC[C@H](N)c1ccccc1	mol1486	CC(C)CC[C@H](N)c1ccccc1
9.45	Hunt	1	0	CCCC[C@H]([NH3+])c1ccccc1	CCCC[C@H](N)c1ccccc1	mol1487	CCCC[C@H](N)c1ccccc1
8.85	Hunt	1	0	CCCC[C@H]([NH3+])c1ccc(Cl)cc1	CCCC[C@H](N)c1ccc(Cl)cc1	mol1488	CCCC[C@H](N)c1ccc(Cl)cc1
9.15	Hunt	1	0	CCCC[C@H]([NH3+])c1ccc(F)cc1	CCCC[C@H](N)c1ccc(F)cc1	mol1489	CCCC[C@H](N)c1ccc(F)cc1
9.3	Hunt	1	0	CC[C@@H]([NH3+])c1ccccc1	CC[C@@H](N)c1ccccc1	mol1490	CC[C@@H](N)c1ccccc1
4.81	Hunt	0	-1	CC[C@@H](C)C(=O)O	CC[C@@H](C)C(=O)[O-]	mol1491	CC[C@@H](C)C(=O)O
9.08	Hunt	1	0	CC[C@@H]([NH3+])c1ccc(Br)cc1	CC[C@@H](N)c1ccc(Br)cc1	mol1492	CC[C@@H](N)c1ccc(Br)cc1
9.1	Hunt	1	0	CC[C@@H]([NH3+])c1ccc(Cl)cc1	CC[C@@H](N)c1ccc(Cl)cc1	mol1493	CC[C@@H](N)c1ccc(Cl)cc1
7.6	Hunt	1	0	OCC[NH+](CCO)CCc1ccccc1	OCCN(CCO)CCc1ccccc1	mol1494	OCCN(CCO)CCc1ccccc1
9.4	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccccc1Br	CC(C)NC[C@H](O)c1ccccc1Br	mol1495	CC(C)NC[C@H](O)c1ccccc1Br
9.37	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1cccc(Br)c1	CC(C)NC[C@H](O)c1cccc(Br)c1	mol1496	CC(C)NC[C@H](O)c1cccc(Br)c1
9.26	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc(Br)cc1	CC(C)NC[C@H](O)c1ccc(Br)cc1	mol1497	CC(C)NC[C@H](O)c1ccc(Br)cc1
9.51	Hunt	1	0	CCCCOc1ccc([C@@H](O)C[NH2+]C)cc1OC	CCCCOc1ccc([C@@H](O)CNC)cc1OC	mol1498	CCCCOc1ccc([C@@H](O)CNC)cc1OC
9.51	Hunt	1	0	CC(C)(C)[NH2+]C[C@H](O)c1ccc(F)c(F)c1	CC(C)(C)NC[C@H](O)c1ccc(F)c(F)c1	mol1499	CC(C)(C)NC[C@H](O)c1ccc(F)c(F)c1
9.56	Hunt	1	0	CCCC[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1	CCCCNC[C@H](O)c1ccc(OC)c(OC)c1	mol1500	CCCCNC[C@H](O)c1ccc(OC)c(OC)c1
9.48	Hunt	1	0	CC[C@@H](C)[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1	CC[C@@H](C)NC[C@H](O)c1ccc(OC)c(OC)c1	mol1501	CC[C@@H](C)NC[C@H](O)c1ccc(OC)c(OC)c1
9.73	Hunt	1	0	COc1ccc([C@@H](O)C[NH2+]C(C)(C)C)cc1OC	COc1ccc([C@@H](O)CNC(C)(C)C)cc1OC	mol1502	COc1ccc([C@@H](O)CNC(C)(C)C)cc1OC
9.43	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccccc1Cl	CC(C)NC[C@H](O)c1ccccc1Cl	mol1503	CC(C)NC[C@H](O)c1ccccc1Cl
9.42	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1cccc(Cl)c1	CC(C)NC[C@H](O)c1cccc(Cl)c1	mol1504	CC(C)NC[C@H](O)c1cccc(Cl)c1
9.21	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc(Cl)cc1	CC(C)NC[C@H](O)c1ccc(Cl)cc1	mol1505	CC(C)NC[C@H](O)c1ccc(Cl)cc1
9.33	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1cccc(C#N)c1	CC(C)NC[C@H](O)c1cccc(C#N)c1	mol1506	CC(C)NC[C@H](O)c1cccc(C#N)c1
9.01	Hunt	1	0	C[NH2+]C[C@H](O)c1ccc(C2CCCCC2)cc1	CNC[C@H](O)c1ccc(C2CCCCC2)cc1	mol1507	CNC[C@H](O)c1ccc(C2CCCCC2)cc1
9.29	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc(Br)c(Br)c1	CC(C)NC[C@H](O)c1ccc(Br)c(Br)c1	mol1508	CC(C)NC[C@H](O)c1ccc(Br)c(Br)c1
10.08	Hunt	1	0	CC[NH+](CC)CCCCC(O)(c1ccccc1)c1ccccc1	CCN(CC)CCCCC(O)(c1ccccc1)c1ccccc1	mol1509	CCN(CC)CCCCC(O)(c1ccccc1)c1ccccc1
10.1	Hunt	1	0	CC[NH+](CC)CCCCC(c1ccccc1)c1ccccc1	CCN(CC)CCCCC(c1ccccc1)c1ccccc1	mol1510	CCN(CC)CCCCC(c1ccccc1)c1ccccc1
10.1	Hunt	1	0	CC[NH+](CC)CCC(c1ccccc1)c1ccccc1	CCN(CC)CCC(c1ccccc1)c1ccccc1	mol1511	CCN(CC)CCC(c1ccccc1)c1ccccc1
9.36	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc(F)c(F)c1	CC(C)NC[C@H](O)c1ccc(F)c(F)c1	mol1512	CC(C)NC[C@H](O)c1ccc(F)c(F)c1
9.92	Hunt	-1	-2	CC(C)NC[C@H](O)c1cc([O-])cc(O)c1,CC(C)[NH2+]C[C@H](O)c1cc([O-])cc([O-])c1	CC(C)NC[C@H](O)c1cc([O-])cc([O-])c1	mol1513	CC(C)NC[C@H](O)c1cc(O)cc(O)c1
9.257	Hunt	0	-1	C[NH+](C)C[C@H](O)c1ccc([O-])c(O)c1,CN(C)C[C@H](O)c1ccc(O)c(O)c1,C[NH+](C)C[C@H](O)c1ccc(O)c([O-])c1	CN(C)C[C@H](O)c1ccc([O-])c(O)c1,C[NH+](C)C[C@H](O)c1ccc([O-])c([O-])c1,CN(C)C[C@H](O)c1ccc(O)c([O-])c1	mol1514	CN(C)C[C@H](O)c1ccc(O)c(O)c1
9.52	Hunt	0	-1	COc1cc([C@@H](O)CN(C)C)ccc1O,COc1cc([C@@H](O)C[NH+](C)C)ccc1[O-]	COc1cc([C@@H](O)CN(C)C)ccc1[O-]	mol1515	COc1cc([C@@H](O)CN(C)C)ccc1O
9.61	Hunt	1	0	CC[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1	CCNC[C@H](O)c1ccc(OC)c(OC)c1	mol1516	CCNC[C@H](O)c1ccc(OC)c(OC)c1
8.983	Hunt	1	0	CC[NH2+]C[C@H](O)c1cccc(O)c1	CCNC[C@H](O)c1cccc(O)c1,CC[NH2+]C[C@H](O)c1cccc([O-])c1	mol1517	CCNC[C@H](O)c1cccc(O)c1
9.35	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc(F)cc1	CC(C)NC[C@H](O)c1ccc(F)cc1	mol1518	CC(C)NC[C@H](O)c1ccc(F)cc1
9.52	Hunt	0	-1	C[NH2+]C[C@H](O)c1ccc([O-])c(OC)c1,CNC[C@H](O)c1ccc(O)c(OC)c1	CNC[C@H](O)c1ccc([O-])c(OC)c1	mol1519	CNC[C@H](O)c1ccc(O)c(OC)c1
9.28	Hunt	1	0	COc1ccc([C@@H](O)C[NH2+]CC(C)C)cc1OC	COc1ccc([C@@H](O)CNCC(C)C)cc1OC	mol1520	COc1ccc([C@@H](O)CNCC(C)C)cc1OC
9.5	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccccc1	CC(C)NC[C@H](O)c1ccccc1	mol1521	CC(C)NC[C@H](O)c1ccccc1
9.58	Hunt	1	0	COc1ccc([C@@H](O)C[NH2+]C(C)C)cc1OC	COc1ccc([C@@H](O)CNC(C)C)cc1OC	mol1522	COc1ccc([C@@H](O)CNC(C)C)cc1OC
9.38	Hunt	1	0	Cc1ccc([C@@H](O)C[NH2+]C(C)C)cc1C	Cc1ccc([C@@H](O)CNC(C)C)cc1C	mol1523	Cc1ccc([C@@H](O)CNC(C)C)cc1C
9.32	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccccc1I	CC(C)NC[C@H](O)c1ccccc1I	mol1524	CC(C)NC[C@H](O)c1ccccc1I
9.69	Hunt	1	0	COc1ccccc1[C@@H](O)C[NH2+]C(C)C	COc1ccccc1[C@@H](O)CNC(C)C	mol1525	COc1ccccc1[C@@H](O)CNC(C)C
9.54	Hunt	1	0	COc1cccc([C@@H](O)C[NH2+]C(C)C)c1	COc1cccc([C@@H](O)CNC(C)C)c1	mol1526	COc1cccc([C@@H](O)CNC(C)C)c1
9.26	Hunt	1	0	COc1ccc([C@@H](O)C[NH2+]C(C)C)cc1	COc1ccc([C@@H](O)CNC(C)C)cc1	mol1527	COc1ccc([C@@H](O)CNC(C)C)cc1
9.35	Hunt	1	0	Cc1ccc([C@@H](O)C[NH2+]C(C)C)cc1	Cc1ccc([C@@H](O)CNC(C)C)cc1	mol1528	Cc1ccc([C@@H](O)CNC(C)C)cc1
9.25	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1	CC(C)NC[C@H](O)c1ccc(S(C)(=O)=O)cc1	mol1529	CC(C)NC[C@H](O)c1ccc(S(C)(=O)=O)cc1
9.41	Hunt	1	0	CSc1ccccc1[C@@H](O)C[NH2+]C(C)C	CSc1ccccc1[C@@H](O)CNC(C)C	mol1530	CSc1ccccc1[C@@H](O)CNC(C)C
9.06	Hunt	1	0	CSc1ccc([C@@H](O)C[NH2+]C(C)C)cc1	CSc1ccc([C@@H](O)CNC(C)C)cc1	mol1531	CSc1ccc([C@@H](O)CNC(C)C)cc1
9.35	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccccc1[N+](=O)[O-]	CC(C)NC[C@H](O)c1ccccc1[N+](=O)[O-]	mol1532	CC(C)NC[C@H](O)c1ccccc1[N+](=O)[O-]
9.21	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1	CC(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1	mol1533	CC(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1
9.27	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1	CC(C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	mol1534	CC(C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1
9.49	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1cccc(-c2ccccc2)c1	CC(C)NC[C@H](O)c1cccc(-c2ccccc2)c1	mol1535	CC(C)NC[C@H](O)c1cccc(-c2ccccc2)c1
9.31	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F	CC(C)NC[C@H](O)c1ccccc1C(F)(F)F	mol1536	CC(C)NC[C@H](O)c1ccccc1C(F)(F)F
9.3	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1	CC(C)NC[C@H](O)c1cccc(C(F)(F)F)c1	mol1537	CC(C)NC[C@H](O)c1cccc(C(F)(F)F)c1
9.565	Hunt	1	0	C[NH2+]CC[C@H](O)c1ccccc1	CNCC[C@H](O)c1ccccc1	mol1538	CNCC[C@H](O)c1ccccc1
10.37	Hunt	1	0	C[NH2+]C(C)(C)Cc1ccccc1	CNC(C)(C)Cc1ccccc1	mol1539	CNC(C)(C)Cc1ccccc1
7.68	Hunt	1	0	OCC[NH+](CCO)Cc1ccccc1	OCCN(CCO)Cc1ccccc1	mol1540	OCCN(CCO)Cc1ccccc1
7.1	Hunt	1	0	Cc1ccccc1C[NH+](CCO)CCO	Cc1ccccc1CN(CCO)CCO	mol1541	Cc1ccccc1CN(CCO)CCO
7.0	Hunt	1	0	Cc1cccc(C[NH+](CCO)CCO)c1	Cc1cccc(CN(CCO)CCO)c1	mol1542	Cc1cccc(CN(CCO)CCO)c1
7.2	Hunt	1	0	Cc1ccc(C[NH+](CCO)CCO)cc1	Cc1ccc(CN(CCO)CCO)cc1	mol1543	Cc1ccc(CN(CCO)CCO)cc1
7.45	Hunt	1	0	Cc1cc(C)c(C[NH+](CCO)CCO)c(C)c1	Cc1cc(C)c(CN(CCO)CCO)c(C)c1	mol1544	Cc1cc(C)c(CN(CCO)CCO)c(C)c1
8.98	Hunt	1	0	[NH3+]Cc1cccc(Br)c1	NCc1cccc(Br)c1	mol1545	NCc1cccc(Br)c1
9.13	Hunt	1	0	[NH3+]Cc1ccc(Br)cc1	NCc1ccc(Br)cc1	mol1546	NCc1ccc(Br)cc1
8.52	Hunt	1	0	N#Cc1ccc(C[NH3+])cc1	N#Cc1ccc(CN)cc1	mol1547	N#Cc1ccc(CN)cc1
8.2	Hunt	1	0	C[NH+](C)Cc1cccc([N+](=O)[O-])c1	CN(C)Cc1cccc([N+](=O)[O-])c1	mol1548	CN(C)Cc1cccc([N+](=O)[O-])c1
8.14	Hunt	1	0	C[NH+](C)Cc1ccc([N+](=O)[O-])cc1	CN(C)Cc1ccc([N+](=O)[O-])cc1	mol1549	CN(C)Cc1ccc([N+](=O)[O-])cc1
-5.07	Hunt	1	0	COc1cccc(C[NH2+]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	COc1cccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	mol1550	COc1cccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
-4.51	Hunt	1	0	COc1ccc(C[NH2+]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	COc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	mol1551	COc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
-4.68	Hunt	1	0	Cc1cccc(C[NH2+]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	Cc1cccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	mol1552	Cc1cccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
-4.7	Hunt	1	0	Cc1ccc(C[NH2+]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	Cc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	mol1553	Cc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
9.04	Hunt	1	0	[NH3+]Cc1cccc(F)c1	NCc1cccc(F)c1	mol1554	NCc1cccc(F)c1
6.5	Hunt	1	0	OCC[NH+](CCO)Cc1cccc(F)c1	OCCN(CCO)Cc1cccc(F)c1	mol1555	OCCN(CCO)Cc1cccc(F)c1
6.8	Hunt	1	0	OCC[NH+](CCO)Cc1ccc(F)cc1	OCCN(CCO)Cc1ccc(F)cc1	mol1556	OCCN(CCO)Cc1ccc(F)cc1
8.94	Hunt	1	0	C[NH+](C)Cc1ccc(F)cc1	CN(C)Cc1ccc(F)cc1	mol1557	CN(C)Cc1ccc(F)cc1
9.04	Hunt	1	0	COc1cccc(C[NH+](C)C)c1	COc1cccc(CN(C)C)c1	mol1558	COc1cccc(CN(C)C)c1
9.97	Hunt	1	0	C[NH2+]Cc1ccc(OC)cc1	CNCc1ccc(OC)cc1	mol1559	CNCc1ccc(OC)cc1
8.77	Hunt	1	0	C[NH2+]Cc1cccc([N+](=O)[O-])c1	CNCc1cccc([N+](=O)[O-])c1	mol1560	CNCc1cccc([N+](=O)[O-])c1
8.63	Hunt	1	0	C[NH2+]Cc1ccc([N+](=O)[O-])cc1	CNCc1ccc([N+](=O)[O-])cc1	mol1561	CNCc1ccc([N+](=O)[O-])cc1
8.5	Hunt	1	0	[NH3+]Cc1ccc([N+](=O)[O-])cc1	NCc1ccc([N+](=O)[O-])cc1	mol1562	NCc1ccc([N+](=O)[O-])cc1
9.22	Hunt	1	0	Cc1ccc(C[NH+](C)C)cc1	Cc1ccc(CN(C)C)cc1	mol1563	Cc1ccc(CN(C)C)cc1
3.98	Hunt	1	0	CC(=O)c1ccc(-c2ccc([NH3+])cc2)cc1	CC(=O)c1ccc(-c2ccc(N)cc2)cc1	mol1564	CC(=O)c1ccc(-c2ccc(N)cc2)cc1
10.3	Hunt	1	0	C[NH+]1CCCCCC1	CN1CCCCCC1	mol210	CN1CCCCCC1
10.02	Hunt	1	0	C[C@@H]1CCC[NH+](C)C1	C[C@@H]1CCCN(C)C1	mol1565	C[C@@H]1CCCN(C)C1
10.73	Hunt	1	0	C[C@@H]1CC[NH2+][C@H](C)C1	C[C@@H]1CCN[C@H](C)C1	mol1566	C[C@@H]1CCN[C@H](C)C1
10.38	Hunt	1	0	CC1(C)CCC[NH2+]C1	CC1(C)CCCNC1	mol1567	CC1(C)CCCNC1
9.25	Hunt	1	0	C=C1CC[NH+](C)[C@@H](C)C1	C=C1CCN(C)[C@@H](C)C1	mol1568	C=C1CCN(C)[C@@H](C)C1
9.09	Hunt	1	0	C=C1CC[NH+](C)C[C@H]1C	C=C1CCN(C)C[C@H]1C	mol1569	C=C1CCN(C)C[C@H]1C
-0.38	Hunt	1	0	O=[N+]([O-])c1ccc([NH+]2CCCCC2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	mol1570	O=[N+]([O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
10.33	Hunt	1	0	CC[NH+]1CCC[C@@H](C)C1	CCN1CCC[C@@H](C)C1	mol1571	CCN1CCC[C@@H](C)C1
10.28	Hunt	1	0	CC[NH+]1CCC(C)CC1	CCN1CCC(C)CC1	mol1572	CCN1CCC(C)CC1
9.57	Hunt	1	0	O[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1	O[C@H](c1ccccc1)[C@@H]1CCCCN1	mol1573	O[C@H](c1ccccc1)[C@@H]1CCCCN1
10.05	Hunt	1	0	CC1(C)CC(O)CC(C)(C)[NH2+]1	CC1(C)CC(O)CC(C)(C)N1	mol1574	CC1(C)CC(O)CC(C)(C)N1
10.44	Hunt	1	0	CC(C)C[NH+]1CCCCC1	CC(C)CN1CCCCC1	mol1575	CC(C)CN1CCCCC1
10.75	Hunt	1	0	CC(C)[C@H]1CCC[NH2+]C1	CC(C)[C@H]1CCCNC1	mol1576	CC(C)[C@H]1CCCNC1
10.47	Hunt	1	0	CC(C)=C1CCC[NH2+]C1	CC(C)=C1CCCNC1	mol1577	CC(C)=C1CCCNC1
8.37	Hunt	1	0	C=C(C)CC(=O)O[C@@H](C)[NH+]1CCCCC1	C=C(C)CC(=O)O[C@@H](C)N1CCCCC1	mol1578	C=C(C)CC(=O)O[C@@H](C)N1CCCCC1
9.31	Hunt	1	0	C=C1CCC[NH+](C)C1	C=C1CCCN(C)C1	mol1579	C=C1CCCN(C)C1
9.03	Hunt	1	0	C=C1CC[NH+](C)CC1	C=C1CCN(C)CC1	mol1580	C=C1CCN(C)CC1
8.35	Hunt	1	0	C/C=C(\C)[NH+]1CCCCC1	C/C=C(\C)N1CCCCC1	mol1581	C/C=C(\C)N1CCCCC1
9.43	Hunt	1	0	C[NH+]1CC(C)(C)CC(C)(C)C1	CN1CC(C)(C)CC(C)(C)C1	mol1582	CN1CC(C)(C)CC(C)(C)C1
10.1	Hunt	1	0	CC1(C)C[NH2+]CC(C)(C)C1	CC1(C)CNCC(C)(C)C1	mol1583	CC1(C)CNCC(C)(C)C1
7.9	Hunt	1	0	CC1(C)CC(=O)CC(C)(C)[NH2+]1	CC1(C)CC(=O)CC(C)(C)N1	mol234	CC1(C)CC(=O)CC(C)(C)N1
10.09	Hunt	1	0	C[C@H]1CC[NH+](C)[C@@H](C)C1	C[C@H]1CCN(C)[C@@H](C)C1	mol1584	C[C@H]1CCN(C)[C@@H](C)C1
10.0	Hunt	1	0	C[C@@H]1C[C@H](C)C[NH+](C)C1	C[C@@H]1C[C@H](C)CN(C)C1	mol1585	C[C@@H]1C[C@H](C)CN(C)C1
2.6	Hunt	1	0	[NH3+]c1cccc(Br)n1,Nc1cccc(Br)[nH+]1	Nc1cccc(Br)n1	mol1586	Nc1cccc(Br)n1
5.7	Hunt	1	0	Nc1cc(Cl)cc[nH+]1,[NH3+]c1cc(Cl)ccn1	Nc1cc(Cl)ccn1	mol1587	Nc1cc(Cl)ccn1
3.41	Hunt	1	0	N#Cc1ccc([NH3+])nc1,N#Cc1ccc(N)[nH+]c1	N#Cc1ccc(N)nc1	mol1588	N#Cc1ccc(N)nc1
4.73	Hunt	1	0	CCOC(=O)c1cccnc1[NH3+],CCOC(=O)c1ccc[nH+]c1N	CCOC(=O)c1cccnc1N	mol1589	CCOC(=O)c1cccnc1N
5.25	Hunt	1	0	CCOC(=O)c1ccnc([NH3+])c1,CCOC(=O)c1cc[nH+]c(N)c1	CCOC(=O)c1ccnc(N)c1	mol1590	CCOC(=O)c1ccnc(N)c1
11.38	Hunt	0	-1	Nc1cnccc1O,Nc1c[nH+]ccc1[O-],[NH3+]c1cnccc1[O-]	Nc1cnccc1[O-]	mol1591	Nc1cnccc1O
4.64	Hunt	1	0	COc1cccc(N)[nH+]1,COc1cccc([NH3+])n1	COc1cccc(N)n1	mol1592	COc1cccc(N)n1
4.78	Hunt	1	0	COC(=O)c1cccnc1[NH3+],COC(=O)c1ccc[nH+]c1N	COC(=O)c1cccnc1N	mol1593	COC(=O)c1cccnc1N
5.21	Hunt	1	0	COC(=O)c1cc[nH+]c(N)c1,COC(=O)c1ccnc([NH3+])c1	COC(=O)c1ccnc(N)c1	mol1594	COC(=O)c1ccnc(N)c1
3.58	Hunt	1	0	Cc1cc([N+](=O)[O-])cnc1[NH3+],Cc1cc([N+](=O)[O-])c[nH+]c1N	Cc1cc([N+](=O)[O-])cnc1N	mol1595	Cc1cc([N+](=O)[O-])cnc1N
2.98	Hunt	1	0	Cc1cnc([NH3+])c([N+](=O)[O-])c1,Cc1c[nH+]c(N)c([N+](=O)[O-])c1	Cc1cnc(N)c([N+](=O)[O-])c1	mol1596	Cc1cnc(N)c([N+](=O)[O-])c1
2.33	Hunt	1	0	Nc1[nH+]cccc1[N+](=O)[O-],[NH3+]c1ncccc1[N+](=O)[O-]	Nc1ncccc1[N+](=O)[O-]	mol1597	Nc1ncccc1[N+](=O)[O-]
7.82	Hunt	1	0	CC(C)C[NH+]1CCOCC1	CC(C)CN1CCOCC1	mol1598	CC(C)CN1CCOCC1
7.69	Hunt	1	0	CCCCC[NH+]1CCOCC1	CCCCCN1CCOCC1	mol1599	CCCCCN1CCOCC1
1.68	Hunt	0	-1	O=C([O-])c1[nH+]cc(-c2ccc(Cl)cc2)o1,O=C(O)c1ncc(-c2ccc(Cl)cc2)o1	O=C([O-])c1ncc(-c2ccc(Cl)cc2)o1	mol1600	O=C(O)c1ncc(-c2ccc(Cl)cc2)o1
3.08	Hunt	0	-1	Cc1[nH+]c(C)c(C(=O)[O-])o1,Cc1nc(C)c(C(=O)O)o1	Cc1nc(C)c(C(=O)[O-])o1	mol1601	Cc1nc(C)c(C(=O)O)o1
3.4	Hunt	0	-1	O=C([O-])c1[nH+]c(-c2ccccc2)oc1-c1ccccc1,O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1	O=C([O-])c1nc(-c2ccccc2)oc1-c1ccccc1	mol1602	O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1
-1.44	Hunt	1	0	O=C(O)c1oc(-c2ccccc2)[nH+]c1-c1ccccc1	O=C([O-])c1oc(-c2ccccc2)[nH+]c1-c1ccccc1,O=C(O)c1oc(-c2ccccc2)nc1-c1ccccc1	mol1603	O=C(O)c1oc(-c2ccccc2)nc1-c1ccccc1
1.78	Hunt	0	-1	O=C(O)c1ncc(-c2ccccc2)o1,O=C([O-])c1[nH+]cc(-c2ccccc2)o1	O=C([O-])c1ncc(-c2ccccc2)o1	mol1604	O=C(O)c1ncc(-c2ccccc2)o1
5.1	Hunt	1	0	C=CCc1c(C)nc(N)[nH+]c1C,C=CCc1c(C)nc([NH3+])nc1C	C=CCc1c(C)nc(N)nc1C	mol1605	C=CCc1c(C)nc(N)nc1C
2.88	Hunt	1	0	CC(C)(C)c1nc([NH3+])ncc1Br,CC(C)(C)c1nc(N)[nH+]cc1Br,CC(C)(C)c1[nH+]c(N)ncc1Br	CC(C)(C)c1nc(N)ncc1Br	mol1606	CC(C)(C)c1nc(N)ncc1Br
3.3	Hunt	1	0	Cc1nc(N)[nH+]c(C)c1Br,Cc1nc([NH3+])nc(C)c1Br	Cc1nc(N)nc(C)c1Br	mol1607	Cc1nc(N)nc(C)c1Br
3.06	Hunt	1	0	Nc1ncc(-c2ccc(Br)cc2)c[nH+]1,[NH3+]c1ncc(-c2ccc(Br)cc2)cn1	Nc1ncc(-c2ccc(Br)cc2)cn1	mol1608	Nc1ncc(-c2ccc(Br)cc2)cn1
4.58	Hunt	1	0	CC(C)(C)c1ccnc(N)[nH+]1,CC(C)(C)c1ccnc([NH3+])n1,CC(C)(C)c1cc[nH+]c(N)n1	CC(C)(C)c1ccnc(N)n1	mol1609	CC(C)(C)c1ccnc(N)n1
2.06	Hunt	1	0	NC(=O)c1cnc(N)[nH+]c1,NC(=O)c1cnc([NH3+])nc1	NC(=O)c1cnc(N)nc1	mol1610	NC(=O)c1cnc(N)nc1
5.42	Hunt	1	0	CCCc1c(C)nc(N)[nH+]c1C,CCCc1c(C)nc([NH3+])nc1C	CCCc1c(C)nc(N)nc1C	mol1611	CCCc1c(C)nc(N)nc1C
5.12	Hunt	1	0	CC[C@@H](C)Nc1nc(C)cc(C)[nH+]1,CC[C@@H](C)[NH2+]c1nc(C)cc(C)n1	CC[C@@H](C)Nc1nc(C)cc(C)n1	mol1612	CC[C@@H](C)Nc1nc(C)cc(C)n1
4.31	Hunt	1	0	COc1ncc(-c2ccc([NH+](C)C)cc2)cn1,COc1ncc(-c2ccc(N(C)C)cc2)c[nH+]1	COc1ncc(-c2ccc(N(C)C)cc2)cn1	mol1613	COc1ncc(-c2ccc(N(C)C)cc2)cn1
10.5	Hunt	0	-1	Cc1cc(C)nc(O)n1	Cc1cc(C)nc([O-])n1	mol1614	Cc1cc(C)nc(O)n1
9.82	Hunt	0	-1	Cc1cc([O-])nc(C)[nH+]1,Cc1cc(O)nc(C)n1	Cc1cc([O-])nc(C)n1	mol1615	Cc1cc(O)nc(C)n1
10.89	Hunt	0	-1	CCCc1c(C)nc(O)nc1C	CCCc1c(C)nc([O-])nc1C	mol1616	CCCc1c(C)nc(O)nc1C
9.49	Hunt	0	-1	CC#Cc1c(C)nc(O)nc1C	CC#Cc1c(C)nc([O-])nc1C	mol1617	CC#Cc1c(C)nc(O)nc1C
10.25	Hunt	0	-1	C#CCc1c(C)nc(O)nc1C	C#CCc1c(C)nc([O-])nc1C	mol1618	C#CCc1c(C)nc(O)nc1C
8.47	Hunt	0	-1	COc1cc(O)ncn1,COc1cc([O-])nc[nH+]1	COc1cc([O-])ncn1	mol1619	COc1cc(O)ncn1
9.17	Hunt	0	-1	Cc1cncnc1O,Cc1c[nH+]cnc1[O-]	Cc1cncnc1[O-]	mol1620	Cc1cncnc1O
8.52	Hunt	0	-1	CSc1cc(O)ncn1,CSc1cc([O-])nc[nH+]1	CSc1cc([O-])ncn1	mol1621	CSc1cc(O)ncn1
8.17	Hunt	0	-1	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1	O=[N+]([O-])c1ccc(-c2cnc([O-])nc2)cc1	mol1622	O=[N+]([O-])c1ccc(-c2cnc(O)nc2)cc1
10.85	Hunt	0	-1	Cc1nc(O)nc(C)c1C	Cc1nc([O-])nc(C)c1C	mol1623	Cc1nc(O)nc(C)c1C
5.027	Hunt	1	0	C[C@H]1C[NH+]=C(C(C)(C)C)S1	C[C@H]1CN=C(C(C)(C)C)S1	mol1624	C[C@H]1CN=C(C(C)(C)C)S1
3.18	Hunt	0	-1	Cc1csc(C(=O)O)n1,Cc1csc(C(=O)[O-])[nH+]1	Cc1csc(C(=O)[O-])n1	mol1625	Cc1csc(C(=O)O)n1
5.36	Hunt	1	0	CCC1=[NH+][C@@H](CC)CS1	CCC1=N[C@@H](CC)CS1	mol1626	CCC1=N[C@@H](CC)CS1
5.256	Hunt	1	0	CC1=[NH+]C[C@H](C)S1	CC1=NC[C@H](C)S1	mol1627	CC1=NC[C@H](C)S1
5.164	Hunt	1	0	CC(C)C1=[NH+]C[C@H](C)S1	CC(C)C1=NC[C@H](C)S1	mol1628	CC(C)C1=NC[C@H](C)S1
4.68	Hunt	0	-1	CC(C)c1cccc(=O)c(O)c1Br	CC(C)c1cccc(=O)c([O-])c1Br	mol1629	CC(C)c1cccc(=O)c(O)c1Br
4.54	Hunt	0	-1	CC(C)c1cc(O)c(=O)ccc1Br	CC(C)c1cc([O-])c(=O)ccc1Br	mol1630	CC(C)c1cc(O)c(=O)ccc1Br
4.28	Hunt	0	-1	CC(C)c1ccc(Br)c(=O)c(O)c1	CC(C)c1ccc(Br)c(=O)c([O-])c1	mol1631	CC(C)c1ccc(Br)c(=O)c(O)c1
4.44	Hunt	0	-1	CC(C)c1ccc(Br)c(=O)c(O)c1Br	CC(C)c1ccc(Br)c(=O)c([O-])c1Br	mol1632	CC(C)c1ccc(Br)c(=O)c(O)c1Br
10.57	Hunt	1	0	C1C[C@H]2CC[C@@H]1C[NH2+]C2	C1C[C@H]2CC[C@@H]1CNC2	mol1633	C1CC2CCC1CNC2
10.24	Hunt	1	0	C[NH+]1C[C@H]2CC[C@H](CC2)C1	CN1C[C@H]2CC[C@H](CC2)C1	mol1634	CN1CC2CCC(CC2)C1
11.32	Hunt	1	0	C1CC[C@@H]2C[NH2+]CC[C@H]2C1	C1CC[C@@H]2CNCC[C@H]2C1	mol1635	C1CC[C@@H]2CNCC[C@H]2C1
11.29	Hunt	1	0	C1CC[C@H]2[NH2+]CCC[C@H]2C1	C1CC[C@H]2NCCC[C@H]2C1	mol1636	C1CC[C@H]2NCCC[C@H]2C1
9.67	Hunt	1	0	C[C@@H]1C[C@H](Cl)[C@@H]2CCCC[C@@H]2[NH2+]1	C[C@@H]1C[C@H](Cl)[C@@H]2CCCC[C@@H]2N1	mol1637	C[C@@H]1C[C@H](Cl)[C@@H]2CCCC[C@@H]2N1
9.36	Hunt	1	0	C[C@H]1C[C@H](O[N+](=O)[O-])[C@@H]2CCCC[C@H]2[NH2+]1	C[C@H]1C[C@H](O[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1	mol1638	C[C@H]1C[C@H](O[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1
3.23	Hunt	1	0	[NH3+]c1cccc(-c2cc(=O)c3c(ccc4ccccc43)o2)c1	Nc1cccc(-c2cc(=O)c3c(ccc4ccccc43)o2)c1	mol1640	Nc1cccc(-c2cc(=O)c3c(ccc4ccccc43)o2)c1
2.97	Hunt	1	0	[NH3+]c1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1	Nc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1	mol1641	Nc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1
10.16	Hunt	1	0	CNCCC[NH+]1c2ccccc2CCc2ccccc21,C[NH2+]CCCN1c2ccccc2CCc2ccccc21	CNCCCN1c2ccccc2CCc2ccccc21	mol120	CNCCCN1c2ccccc2CCc2ccccc21
9.24	Hunt	1	0	CN(C)CCC[NH+]1c2ccccc2Sc2ccc(Cl)cc21,C[NH+](C)CCCN1c2ccccc2Sc2ccc(Cl)cc21	CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21	mol90	CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
-0.14	Hunt	1	0	CC(=O)c1cc([NH3+])ccc1[N+](=O)[O-]	CC(=O)c1cc(N)ccc1[N+](=O)[O-]	mol1642	CC(=O)c1cc(N)ccc1[N+](=O)[O-]
4.04	Hunt	1	0	c1ccc(C[NH2+]c2ccccc2)cc1	c1ccc(CNc2ccccc2)cc1	mol1643	c1ccc(CNc2ccccc2)cc1
4.78	Hunt	1	0	[NH3+]c1ccc(Cc2ccccc2)cc1	Nc1ccc(Cc2ccccc2)cc1	mol1644	Nc1ccc(Cc2ccccc2)cc1
5.81	Hunt	1	0	CC[NH+](CC)c1ccc(Br)cc1	CCN(CC)c1ccc(Br)cc1	mol1645	CCN(CC)c1ccc(Br)cc1
4.05	Hunt	1	0	Cc1cc([NH3+])ccc1Br	Cc1cc(N)ccc1Br	mol1646	Cc1cc(N)ccc1Br
0.52	Hunt	1	0	[NH3+]c1cc([N+](=O)[O-])ccc1Br	Nc1cc([N+](=O)[O-])ccc1Br	mol1647	Nc1cc([N+](=O)[O-])ccc1Br
1.8	Hunt	1	0	[NH3+]c1ccc(Br)c([N+](=O)[O-])c1	Nc1ccc(Br)c([N+](=O)[O-])c1	mol1648	Nc1ccc(Br)c([N+](=O)[O-])c1
0.74	Hunt	1	0	CCCCOc1ccc([NH3+])c([N+](=O)[O-])c1	CCCCOc1ccc(N)c([N+](=O)[O-])c1	mol1649	CCCCOc1ccc(N)c([N+](=O)[O-])c1
3.66	Hunt	1	0	[NH3+]c1ccc(F)c(Cl)c1	Nc1ccc(F)c(Cl)c1	mol1650	Nc1ccc(F)c(Cl)c1
3.56	Hunt	1	0	COc1ccc(Cl)cc1[NH3+]	COc1ccc(Cl)cc1N	mol1651	COc1ccc(Cl)cc1N
3.848	Hunt	1	0	Cc1cc(Cl)ccc1[NH3+]	Cc1cc(Cl)ccc1N	mol1652	Cc1cc(Cl)ccc1N
-0.41	Hunt	1	0	CS(=O)(=O)c1ccc([NH3+])c(Cl)c1	CS(=O)(=O)c1ccc(N)c(Cl)c1	mol1653	CS(=O)(=O)c1ccc(N)c(Cl)c1
0.47	Hunt	1	0	CS(=O)(=O)c1ccc([NH3+])cc1Cl	CS(=O)(=O)c1ccc(N)cc1Cl	mol1654	CS(=O)(=O)c1ccc(N)cc1Cl
2.56	Hunt	1	0	CSc1ccc([NH3+])c(Cl)c1	CSc1ccc(N)c(Cl)c1	mol1655	CSc1ccc(N)c(Cl)c1
3.38	Hunt	1	0	CSc1ccc([NH3+])cc1Cl	CSc1ccc(N)cc1Cl	mol1656	CSc1ccc(N)cc1Cl
-0.94	Hunt	1	0	[NH3+]c1ccc([N+](=O)[O-])cc1Cl	Nc1ccc([N+](=O)[O-])cc1Cl	mol1657	Nc1ccc([N+](=O)[O-])cc1Cl
0.64	Hunt	1	0	[NH3+]c1cc([N+](=O)[O-])ccc1Cl	Nc1cc([N+](=O)[O-])ccc1Cl	mol1658	Nc1cc([N+](=O)[O-])ccc1Cl
0.45	Hunt	1	0	N#Cc1cc([NH3+])cc([N+](=O)[O-])c1	N#Cc1cc(N)cc([N+](=O)[O-])c1	mol1659	N#Cc1cc(N)cc([N+](=O)[O-])c1
4.8	Hunt	1	0	[NH3+]c1ccc(C2CCC2)cc1	Nc1ccc(C2CCC2)cc1	mol1660	Nc1ccc(C2CCC2)cc1
5.1	Hunt	1	0	[NH3+]c1ccc(C2CCCC2)cc1	Nc1ccc(C2CCCC2)cc1	mol1661	Nc1ccc(C2CCCC2)cc1
4.3	Hunt	1	0	[NH3+]c1ccccc1C1CC1	Nc1ccccc1C1CC1	mol1662	Nc1ccccc1C1CC1
4.9	Hunt	1	0	[NH3+]c1ccc(C2CC2)cc1	Nc1ccc(C2CC2)cc1	mol1663	Nc1ccc(C2CC2)cc1
1.44	Hunt	1	0	[NH3+]c1cc(Br)ccc1Br	Nc1cc(Br)ccc1Br	mol1664	Nc1cc(Br)ccc1Br
3.96	Hunt	1	0	CCCCOc1ccc(OCCCC)c([NH3+])c1	CCCCOc1ccc(OCCCC)c(N)c1	mol1665	CCCCOc1ccc(OCCCC)c(N)c1
0.422	Hunt	1	0	[NH3+]c1c(Cl)cccc1Cl	Nc1c(Cl)cccc1Cl	mol1666	Nc1c(Cl)cccc1Cl
2.371	Hunt	1	0	[NH3+]c1cc(Cl)cc(Cl)c1	Nc1cc(Cl)cc(Cl)c1	mol1667	Nc1cc(Cl)cc(Cl)c1
1.7	Hunt	1	0	CSc1cc(Cl)c([NH3+])cc1Cl	CSc1cc(Cl)c(N)cc1Cl	mol1668	CSc1cc(Cl)c(N)cc1Cl
1.67	Hunt	1	0	CSc1c(Cl)cc([NH3+])cc1Cl	CSc1c(Cl)cc(N)cc1Cl	mol1669	CSc1c(Cl)cc(N)cc1Cl
3.94	Hunt	1	0	CCOc1ccc(OCC)c([NH3+])c1	CCOc1ccc(OCC)c(N)c1	mol1670	CCOc1ccc(OCC)c(N)c1
1.75	Hunt	1	0	CC[NH+](CC)c1ccc([N+](=O)[O-])cc1	CCN(CC)c1ccc([N+](=O)[O-])cc1	mol1671	CCN(CC)c1ccc([N+](=O)[O-])cc1
1.15	Hunt	1	0	CSc1c(I)cc([NH3+])cc1I	CSc1c(I)cc(N)cc1I	mol1672	CSc1c(I)cc(N)cc1I
3.93	Hunt	1	0	COc1ccc(OC)c([NH3+])c1	COc1ccc(OC)c(N)c1	mol1673	COc1ccc(OC)c(N)c1
-1.2	Hunt	1	0	[NH3+]c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	mol1674	Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
0.229	Hunt	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
0.98	Hunt	1	0	CCOC(=O)c1cc([NH3+])cc([N+](=O)[O-])c1	CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1	mol1676	CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1
3.79	Hunt	2	1	CCC(CC)C[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCC(CC)CN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1677	CCC(CC)CN(CC[N+]1(C)CCCCC1)c1ccccc1
-0.44	Hunt	1	0	[NH3+]c1ccc(F)cc1[N+](=O)[O-]	Nc1ccc(F)cc1[N+](=O)[O-]	mol1678	Nc1ccc(F)cc1[N+](=O)[O-]
2.44	Hunt	1	0	[NH3+]c1ccc(F)c([N+](=O)[O-])c1	Nc1ccc(F)c([N+](=O)[O-])c1	mol1679	Nc1ccc(F)c([N+](=O)[O-])c1
3.21	Hunt	2	1	CCCCCCC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCCCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1680	CCCCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1
3.13	Hunt	2	1	CCCCCC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1681	CCCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1
2.45	Hunt	1	0	CSc1ccc([NH3+])c(I)c1	CSc1ccc(N)c(I)c1	mol1682	CSc1ccc(N)c(I)c1
3.44	Hunt	1	0	CSc1ccc([NH3+])cc1I	CSc1ccc(N)cc1I	mol1683	CSc1ccc(N)cc1I
1.44	Hunt	1	0	[NH3+]c1cc(I)cc([N+](=O)[O-])c1	Nc1cc(I)cc([N+](=O)[O-])c1	mol1684	Nc1cc(I)cc([N+](=O)[O-])c1
3.02	Hunt	2	1	CC(C)C[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CC(C)CN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1685	CC(C)CN(CC[N+]1(C)CCCCC1)c1ccccc1
3.06	Hunt	2	1	CC(C)CC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CC(C)CCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1686	CC(C)CCN(CC[N+]1(C)CCCCC1)c1ccccc1
4.85	Hunt	1	0	CC(C)c1ccc([NH3+])cc1	CC(C)c1ccc(N)cc1	mol1687	CC(C)c1ccc(N)cc1
3.26	Hunt	2	1	CC(C)[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CC(C)N(CC[N+]1(C)CCCCC1)c1ccccc1	mol1688	CC(C)N(CC[N+]1(C)CCCCC1)c1ccccc1
1.32	Hunt	1	0	CC(C)[NH2+]c1ccc([N+](=O)[O-])cc1	CC(C)Nc1ccc([N+](=O)[O-])cc1	mol1689	CC(C)Nc1ccc([N+](=O)[O-])cc1
1.4	Hunt	1	0	CC(C)S(=O)(=O)c1ccc([NH3+])cc1	CC(C)S(=O)(=O)c1ccc(N)cc1	mol1690	CC(C)S(=O)(=O)c1ccc(N)cc1
3.89	Hunt	1	0	CC(C)Sc1ccc([NH3+])cc1	CC(C)Sc1ccc(N)cc1	mol1691	CC(C)Sc1ccc(N)cc1
2.73	Hunt	1	0	COC(=O)c1ccc([NH3+])cc1C	COC(=O)c1ccc(N)cc1C	mol1692	COC(=O)c1ccc(N)cc1C
2.49	Hunt	1	0	COc1ccc([N+](=O)[O-])cc1[NH3+]	COc1ccc([N+](=O)[O-])cc1N	mol1693	COc1ccc([N+](=O)[O-])cc1N
0.77	Hunt	1	0	COc1ccc([NH3+])c([N+](=O)[O-])c1	COc1ccc(N)c([N+](=O)[O-])c1	mol1694	COc1ccc(N)c([N+](=O)[O-])c1
3.36	Hunt	1	0	COc1ccc([NH3+])cc1[N+](=O)[O-]	COc1ccc(N)cc1[N+](=O)[O-]	mol1695	COc1ccc(N)cc1[N+](=O)[O-]
-0.72	Hunt	1	0	COc1ccc([N+](=O)[O-])c([NH3+])c1	COc1ccc([N+](=O)[O-])c(N)c1	mol1696	COc1ccc([N+](=O)[O-])c(N)c1
3.94	Hunt	1	0	COc1ccc(Sc2ccc([NH3+])cc2)cc1	COc1ccc(Sc2ccc(N)cc2)cc1	mol1697	COc1ccc(Sc2ccc(N)cc2)cc1
2.61	Hunt	2	1	C[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1698	CN(CC[N+]1(C)CCCCC1)c1ccccc1
3.71	Hunt	1	0	C[NH2+]c1ccccc1SC	CNc1ccccc1SC	mol1699	CNc1ccccc1SC
-1.5	Hunt	2	1	C[N+]1(CC[NH+](c2ccccc2)c2ccccc2)CCCCC1	C[N+]1(CCN(c2ccccc2)c2ccccc2)CCCCC1	mol1700	C[N+]1(CCN(c2ccccc2)c2ccccc2)CCCCC1
0.55	Hunt	1	0	C[NH2+]c1ccc([N+](=O)[O-])cc1	CNc1ccc([N+](=O)[O-])cc1	mol1701	CNc1ccc([N+](=O)[O-])cc1
2.345	Hunt	1	0	Cc1ccc([N+](=O)[O-])cc1[NH3+]	Cc1ccc([N+](=O)[O-])cc1N	mol1702	Cc1ccc([N+](=O)[O-])cc1N
2.38	Hunt	1	0	Cc1cc([NH3+])cc([N+](=O)[O-])c1	Cc1cc(N)cc([N+](=O)[O-])c1	mol1703	Cc1cc(N)cc([N+](=O)[O-])c1
3.32	Hunt	2	1	CCCCCCCC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCCCCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1704	CCCCCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1
2.96	Hunt	2	1	CCCCC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1705	CCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1
3.42	Hunt	2	1	CCC[C@@H](C)[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCC[C@@H](C)N(CC[N+]1(C)CCCCC1)c1ccccc1	mol1706	CCC[C@@H](C)N(CC[N+]1(C)CCCCC1)c1ccccc1
2.82	Hunt	2	1	CCC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1707	CCCN(CC[N+]1(C)CCCCC1)c1ccccc1
3.45	Hunt	1	0	CSc1ccccc1[NH3+]	CSc1ccccc1N	mol1708	CSc1ccccc1N
-0.28	Hunt	1	0	CSc1ccc([NH3+])c([N+](=O)[O-])c1	CSc1ccc(N)c([N+](=O)[O-])c1	mol1709	CSc1ccc(N)c([N+](=O)[O-])c1
2.47	Hunt	1	0	CSc1ccc([NH3+])cc1[N+](=O)[O-]	CSc1ccc(N)cc1[N+](=O)[O-]	mol1710	CSc1ccc(N)cc1[N+](=O)[O-]
-0.76	Hunt	1	0	[NH3+]c1ccc(-c2ccccc2)cc1[N+](=O)[O-]	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]	mol1711	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]
0.82	Hunt	1	0	[NH3+]c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	mol1712	Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1
-0.05	Hunt	1	0	[NH3+]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	mol1713	Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
4.84	Hunt	1	0	Cc1cc(C)c([NH+](C)C)c(C)c1	Cc1cc(C)c(N(C)C)c(C)c1	mol1714	Cc1cc(C)c(N(C)C)c(C)c1
4.18	Hunt	1	0	C=C(c1ccccc1)c1ccc([NH3+])cc1	C=C(c1ccccc1)c1ccc(N)cc1	mol1715	C=C(c1ccccc1)c1ccc(N)cc1
2.5	Hunt	1	0	[NH3+]c1ccccc1Sc1ccccc1	Nc1ccccc1Sc1ccccc1	mol1716	Nc1ccccc1Sc1ccccc1
3.38	Hunt	1	0	[NH3+]c1cccc(OC(F)(F)C(F)F)c1	Nc1cccc(OC(F)(F)C(F)F)c1	mol1717	Nc1cccc(OC(F)(F)C(F)F)c1
3.98	Hunt	1	0	[NH3+]c1ccc(OC(F)(F)C(F)F)cc1	Nc1ccc(OC(F)(F)C(F)F)cc1	mol1718	Nc1ccc(OC(F)(F)C(F)F)cc1
3.39	Hunt	1	0	[NH3+]c1cccc(SC(F)(F)C(F)F)c1	Nc1cccc(SC(F)(F)C(F)F)c1	mol1719	Nc1cccc(SC(F)(F)C(F)F)c1
2.87	Hunt	1	0	[NH3+]c1ccc(SC(F)(F)C(F)F)cc1	Nc1ccc(SC(F)(F)C(F)F)cc1	mol1720	Nc1ccc(SC(F)(F)C(F)F)cc1
5.47	Hunt	1	0	C[NH2+]c1c(C)cc(C)cc1C	CNc1c(C)cc(C)cc1C	mol1721	CNc1c(C)cc(C)cc1C
1.09	Hunt	1	0	[NH3+]c1cc(Cl)c(Cl)cc1Cl	Nc1cc(Cl)c(Cl)cc1Cl	mol1722	Nc1cc(Cl)c(Cl)cc1Cl
-0.03	Hunt	1	0	[NH3+]c1c(Cl)cc(Cl)cc1Cl	Nc1c(Cl)cc(Cl)cc1Cl	mol1723	Nc1c(Cl)cc(Cl)cc1Cl
3.25	Hunt	1	0	[NH3+]c1cccc(OC(F)(F)F)c1	Nc1cccc(OC(F)(F)F)c1	mol1724	Nc1cccc(OC(F)(F)F)c1
2.44	Hunt	1	0	[NH3+]c1ccccc1OC(F)(F)F	Nc1ccccc1OC(F)(F)F	mol1725	Nc1ccccc1OC(F)(F)F
3.82	Hunt	1	0	[NH3+]c1ccc(OC(F)(F)F)cc1	Nc1ccc(OC(F)(F)F)cc1	mol1726	Nc1ccc(OC(F)(F)F)cc1
1.79	Hunt	1	0	[NH3+]c1cccc(S(=O)(=O)C(F)(F)F)c1	Nc1cccc(S(=O)(=O)C(F)(F)F)c1	mol1727	Nc1cccc(S(=O)(=O)C(F)(F)F)c1
3.3	Hunt	1	0	[NH3+]c1cccc(SC(F)(F)F)c1	Nc1cccc(SC(F)(F)F)c1	mol1728	Nc1cccc(SC(F)(F)F)c1
2.78	Hunt	1	0	[NH3+]c1ccc(SC(F)(F)F)cc1	Nc1ccc(SC(F)(F)F)cc1	mol1729	Nc1ccc(SC(F)(F)F)cc1
4.56	Hunt	1	0	C[NH2+]c1ccc(C)cc1C	CNc1ccc(C)cc1C	mol1730	CNc1ccc(C)cc1C
2.0	Hunt	0	-1	O=C1C(O)=C(Oc2ccccc2)C(=O)C(O)=C1Oc1ccccc1	O=C1C(O)=C(Oc2ccccc2)C(=O)C([O-])=C1Oc1ccccc1	mol1731	O=C1C(O)=C(Oc2ccccc2)C(=O)C(O)=C1Oc1ccccc1
3.0	Hunt	0	-1	O=C1C(O)=C(Oc2ccccc2)C(=O)C(O)=C1Oc1ccccc1	O=C1C(O)=C(Oc2ccccc2)C(=O)C([O-])=C1Oc1ccccc1	mol1731	O=C1C(O)=C(Oc2ccccc2)C(=O)C(O)=C1Oc1ccccc1
10.91	Hunt	0	-1	C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O	C[C@@]12CC[C@H]3c4ccc([O-])cc4CC[C@@H]3[C@@H]1CCC2=O	mol1732	C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O
12.19	Hunt	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
0.74	Hunt	0	-1	O=P(O)(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1	O=P([O-])(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1	mol1734	O=P(O)(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1
4.0	Hunt	0	-1	CC(=O)Oc1cccc(C(=O)O)c1	CC(=O)Oc1cccc(C(=O)[O-])c1	mol1735	CC(=O)Oc1cccc(C(=O)O)c1
4.13	Hunt	0	-1	CC(=O)c1ccccc1C(=O)O	CC(=O)c1ccccc1C(=O)[O-]	mol1736	CC(=O)c1ccccc1C(=O)O
3.83	Hunt	0	-1	CC(=O)c1cccc(C(=O)O)c1	CC(=O)c1cccc(C(=O)[O-])c1	mol1737	CC(=O)c1cccc(C(=O)O)c1
3.7	Hunt	0	-1	CC(=O)c1ccc(C(=O)O)cc1	CC(=O)c1ccc(C(=O)[O-])cc1	mol1738	CC(=O)c1ccc(C(=O)O)cc1
4.72	Hunt	0	-1	C=CC[C@@H](C)C(=O)O	C=CC[C@@H](C)C(=O)[O-]	mol1739	C=CC[C@@H](C)C(=O)O
4.27	Hunt	1	0	[NH3+]c1ccc(-c2ccccc2)cc1	Nc1ccc(-c2ccccc2)cc1	mol1740	Nc1ccc(-c2ccccc2)cc1
7.64	Hunt	1	0	CC[C@@H]([NH3+])C(=O)OC	CC[C@@H](N)C(=O)OC	mol1741	CC[C@@H](N)C(=O)OC
9.78	Hunt	1	0	NCCc1cccc[nH+]1,[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
8.7	Hunt	1	0	Cc1ccc(CN)c[nH+]1,Cc1ccc(C[NH3+])cn1	Cc1ccc(CN)cn1	mol1743	Cc1ccc(CN)cn1
7.22	Hunt	1	0	Cc1ccc([NH3+])nc1,Cc1ccc(N)[nH+]c1	Cc1ccc(N)nc1	mol1744	Cc1ccc(N)nc1
7.41	Hunt	1	0	Cc1cccc([NH3+])n1,Cc1cccc(N)[nH+]1	Cc1cccc(N)n1	mol1745	Cc1cccc(N)n1
3.6	Hunt	1	0	[NH3+]c1ccc(CC(=O)O)cc1	Nc1ccc(CC(=O)O)cc1,[NH3+]c1ccc(CC(=O)[O-])cc1	mol1746	Nc1ccc(CC(=O)O)cc1
5.26	Hunt	0	-1	Nc1ccc(CC(=O)O)cc1,[NH3+]c1ccc(CC(=O)[O-])cc1	Nc1ccc(CC(=O)[O-])cc1	mol1746	Nc1ccc(CC(=O)O)cc1
11.1	Hunt	1	0	C1CCC[NH2+]CCC1	C1CCCNCCC1	mol1747	C1CCCNCCC1
4.44	Hunt	0	-1	C/C=C/C(=O)O	C/C=C/C(=O)[O-]	mol1748	C/C=C/C(=O)O
3.41	Hunt	0	-1	CCCC[P@@H](=O)O	CCCC[P@@H](=O)[O-]	mol1749	CCCC[P@@H](=O)O
2.86	Hunt	0	-1	CC[C@H](Cl)C(=O)O	CC[C@H](Cl)C(=O)[O-]	mol1750	CC[C@H](Cl)C(=O)O
4.05	Hunt	0	-1	C[C@@H](Cl)CC(=O)O	C[C@@H](Cl)CC(=O)[O-]	mol1751	C[C@@H](Cl)CC(=O)O
4.5	Hunt	0	-1	O=C(O)CCCCl	O=C([O-])CCCCl	mol1752	O=C(O)CCCCl
2.8	Hunt	0	-1	C/C=C(\Cl)C(=O)O	C/C=C(\Cl)C(=O)[O-]	mol1753	C/C=C(\Cl)C(=O)O
3.12	Hunt	0	-1	O=C(O)[C@H](O)CCl	O=C([O-])[C@H](O)CCl	mol1754	O=C(O)[C@H](O)CCl
3.26	Hunt	0	-1	C[C@H](Oc1ccc(Cl)cc1)C(=O)O	C[C@H](Oc1ccc(Cl)cc1)C(=O)[O-]	mol1755	C[C@H](Oc1ccc(Cl)cc1)C(=O)O
2.49	Hunt	1	0	Cc1c([NH3+])cccc1Cl	Cc1c(N)cccc1Cl	mol1756	Cc1c(N)cccc1Cl
3.85	Hunt	1	0	Cc1ccc(Cl)cc1[NH3+]	Cc1ccc(Cl)cc1N	mol1757	Cc1ccc(Cl)cc1N
3.62	Hunt	1	0	Cc1cccc(Cl)c1[NH3+]	Cc1cccc(Cl)c1N	mol1758	Cc1cccc(Cl)c1N
1.39	Hunt	0	-1	O=C(O)C(Br)Br	O=C([O-])C(Br)Br	mol1759	O=C(O)C(Br)Br
1.48	Hunt	0	-1	CC(Br)(Br)C(=O)O	CC(Br)(Br)C(=O)[O-]	mol1760	CC(Br)(Br)C(=O)O
2.33	Hunt	0	-1	O=C(O)[C@@H](Br)CBr	O=C([O-])[C@@H](Br)CBr	mol1761	O=C(O)[C@@H](Br)CBr
2.11	Hunt	0	-1	O=C(O)CC(=O)C(Cl)Cl	O=C([O-])CC(=O)C(Cl)Cl	mol1762	O=C(O)CC(=O)C(Cl)Cl
2.85	Hunt	0	-1	O=C(O)[C@@H](Cl)CCl	O=C([O-])[C@@H](Cl)CCl	mol1763	O=C(O)[C@@H](Cl)CCl
11.25	Hunt	1	0	C1CCC([NH2+]C2CCCCC2)CC1	C1CCC(NC2CCCCC2)CC1	mol1764	C1CCC(NC2CCCCC2)CC1
8.47	Hunt	1	0	CCOCC[NH2+]CCOCC	CCOCCNCCOCC	mol1765	CCOCCNCCOCC
8.85	Hunt	1	0	CC[NH+](CC)CCOC(=O)c1ccccc1	CCN(CC)CCOC(=O)c1ccccc1	mol1766	CCN(CC)CCOC(=O)c1ccccc1
1.33	Hunt	0	-1	O=C(O)C(F)F	O=C([O-])C(F)F	mol1767	O=C(O)C(F)F
10.05	Hunt	0	-1	Cc1c(O)cccc1O	Cc1c([O-])cccc1O	mol1768	Cc1c(O)cccc1O
4.46	Hunt	0	-1	O=C(O)C(CO)(CO)CO	O=C([O-])C(CO)(CO)CO	mol1769	O=C(O)C(CO)(CO)CO
9.51	Hunt	1	0	COCC[NH2+]CCOC	COCCNCCOC	mol1770	COCCNCCOC
9.345	Hunt	0	-1	COc1cc(O)cc(OC)c1	COc1cc([O-])cc(OC)c1	mol1771	COc1cc(O)cc(OC)c1
3.18	Hunt	0	-1	O=CC(=O)O	O=CC(=O)[O-]	mol1772	O=CC(=O)O
9.1	Hunt	1	0	CCOC(=O)CC[NH3+]	CCOC(=O)CCN	mol213	CCOC(=O)CCN
5.0	Hunt	1	0	CCc1ccc([NH3+])cc1	CCc1ccc(N)cc1	mol1773	CCc1ccc(N)cc1
1.48	Hunt	0	-1	O=C(O)C[N+](=O)[O-]	O=C([O-])C[N+](=O)[O-]	mol1774	O=C(O)C[N+](=O)[O-]
3.29	Hunt	0	-1	CC[P@@H](=O)O	CC[P@@H](=O)[O-]	mol1775	CC[P@@H](=O)O
10.43	Hunt	1	0	CC[NH+]1CCCC1	CCN1CCCC1	mol1776	CCN1CCCC1
7.4	Hunt	1	0	CC[NH+]1C[C@@H](C)C[C@@H](O)[C@@H]1[C@H](C)c1ccc2c(c1C)C[C@@H]1[C@H]2CC=C2C[C@H](O)CC[C@@]21C	CCN1C[C@@H](C)C[C@@H](O)[C@@H]1[C@H](C)c1ccc2c(c1C)C[C@@H]1[C@H]2CC=C2C[C@H](O)CC[C@@]21C	mol1777	CCN1C[C@@H](C)C[C@@H](O)[C@@H]1[C@H](C)c1ccc2c(c1C)C[C@@H]1[C@H]2CC=C2C[C@H](O)CC[C@@]21C
4.849	Hunt	0	-1	CCCCCC(=O)O	CCCCCC(=O)[O-]	mol1779	CCCCCC(=O)O
4.58	Hunt	0	-1	CC/C=C(/CC)C(=O)O	CC/C=C(/CC)C(=O)[O-]	mol1780	CC/C=C(/CC)C(=O)O
8.34	Hunt	0	-1	O=Cc1ccccc1O	O=Cc1ccccc1[O-]	mol1781	O=Cc1ccccc1O
2.63	Hunt	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
4.355	Hunt	0	-1	COc1cc(C(=O)O)ccc1O	COc1cc(C(=O)[O-])ccc1O,COc1cc(C(=O)O)ccc1[O-]	mol1783	COc1cc(C(=O)O)ccc1O
4.12	Hunt	0	-1	O=C(O)Cc1ccccc1CO	O=C([O-])Cc1ccccc1CO	mol1784	O=C(O)Cc1ccccc1CO
2.99	Hunt	0	-1	Cc1cccc(C(=O)O)c1O	Cc1cccc(C(=O)O)c1[O-],Cc1cccc(C(=O)[O-])c1O	mol1785	Cc1cccc(C(=O)O)c1O
3.17	Hunt	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
4.08	Hunt	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
3.32	Hunt	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-],Cc1cccc([O-])c1C(=O)O	mol1788	Cc1cccc(O)c1C(=O)O
3.29	Hunt	0	-1	O=C(O)c1c(O)ccc2ccccc12	O=C(O)c1c([O-])ccc2ccccc12,O=C([O-])c1c(O)ccc2ccccc12	mol1789	O=C(O)c1c(O)ccc2ccccc12
1.87	Hunt	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
2.24	Hunt	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-]
8.675	Hunt	0	-1	Oc1ccc(C(F)(F)F)cc1	[O-]c1ccc(C(F)(F)F)cc1	mol1792	Oc1ccc(C(F)(F)F)cc1
4.79	Hunt	0	-1	CC(C)(C)CC(=O)O	CC(C)(C)CC(=O)[O-]	mol1793	CC(C)(C)CC(=O)O
3.56	Hunt	0	-1	CC(C)[P@@H](=O)O	CC(C)[P@@H](=O)[O-]	mol1794	CC(C)[P@@H](=O)O
7.57	Hunt	1	0	CCOC(=O)[C@@H]([NH3+])CC(C)C	CCOC(=O)[C@@H](N)CC(C)C	mol1795	CCOC(=O)[C@@H](N)CC(C)C
3.57	Hunt	0	-1	COCC(=O)O	COCC(=O)[O-]	mol1796	COCC(=O)O
7.66	Hunt	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
2.97	Hunt	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-]
11.23	Hunt	1	0	CC1CC[NH2+]CC1	CC1CCNCC1	mol1799	CC1CCNCC1
3.79	Hunt	0	-1	C[C@@H](C(=O)O)[N+](=O)[O-]	C[C@@H](C(=O)[O-])[N+](=O)[O-]	mol1800	C[C@@H](C(=O)O)[N+](=O)[O-]
3.53	Hunt	0	-1	O=C(O)[C@H](CO)c1ccccc1	O=C([O-])[C@H](CO)c1ccccc1	mol1801	O=C(O)[C@H](CO)c1ccccc1
3.35	Hunt	1	0	O=C(O)[C@H]1CCC[NH2+]C1	O=C(O)[C@H]1CCCNC1,O=C([O-])[C@H]1CCC[NH2+]C1	mol1802	O=C(O)[C@H]1CCCNC1
10.64	Hunt	0	-1	O=C(O)[C@H]1CCCNC1,O=C([O-])[C@H]1CCC[NH2+]C1	O=C([O-])[C@H]1CCCNC1	mol1802	O=C(O)[C@H]1CCCNC1
1.99	Hunt	1	0	O=C(O)[C@H]1CCC[NH2+]1	O=C([O-])[C@H]1CCC[NH2+]1,O=C(O)[C@H]1CCCN1	mol1803	O=C(O)[C@H]1CCCN1
10.96	Hunt	0	-1	O=C([O-])[C@H]1CCC[NH2+]1,O=C(O)[C@H]1CCCN1	O=C([O-])[C@H]1CCCN1	mol1803	O=C(O)[C@H]1CCCN1
8.18	Hunt	1	0	C[C@H]1C[NH2+]1	C[C@H]1CN1	mol1804	C[C@H]1CN1
4.45	Hunt	0	-1	O=C(O)n1cccc1	O=C([O-])n1cccc1	mol1805	O=C(O)n1cccc1
-0.147	Hunt	0	-1	O=C(O)C(Br)(Br)Br	O=C([O-])C(Br)(Br)Br	mol1806	O=C(O)C(Br)(Br)Br
1.41	Hunt	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
0.52	Hunt	0	-1	O=C(O)CC(Cl)(Cl)Cl	O=C([O-])CC(Cl)(Cl)Cl	mol1808	O=C(O)CC(Cl)(Cl)Cl
2.34	Hunt	0	-1	O=C(O)[C@H](O)C(Cl)(Cl)Cl	O=C([O-])[C@H](O)C(Cl)(Cl)Cl	mol1809	O=C(O)[C@H](O)C(Cl)(Cl)Cl
7.37	Hunt	0	-1	Oc1cc(Cl)c(Cl)cc1Cl	[O-]c1cc(Cl)c(Cl)cc1Cl	mol1810	Oc1cc(Cl)c(Cl)cc1Cl
8.95	Hunt	0	-1	Oc1cccc(C(F)(F)F)c1	[O-]c1cccc(C(F)(F)F)c1	mol1811	Oc1cccc(C(F)(F)F)c1
10.59	Hunt	0	-1	Cc1ccc(O)c(C)c1C	Cc1ccc([O-])c(C)c1C	mol1812	Cc1ccc(O)c(C)c1C
10.57	Hunt	0	-1	Cc1cc(C)c(O)cc1C	Cc1cc(C)c([O-])cc1C	mol1813	Cc1cc(C)c(O)cc1C
10.25	Hunt	0	-1	Cc1cc(O)cc(C)c1C	Cc1cc([O-])cc(C)c1C	mol1814	Cc1cc(O)cc(C)c1C
7.75	Hunt	1	0	N#CCC[NH3+]	N#CCCN	mol1815	N#CCCN
5.42	Hunt	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-]
2.893	Hunt	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
9.36	Hunt	1	0	C[NH2+]CCc1ccc(O)cc1	C[NH2+]CCc1ccc([O-])cc1,CNCCc1ccc(O)cc1	mol1818	CNCCc1ccc(O)cc1
3.63	Hunt	0	-1	CC(C)c1ccccc1C(=O)O	CC(C)c1ccccc1C(=O)[O-]	mol1819	CC(C)c1ccccc1C(=O)O
5.4	Hunt	0	-1	O=C(O)CCCC[C@@H]1CCSS1	O=C([O-])CCCC[C@@H]1CCSS1	mol1820	O=C(O)CCCC[C@@H]1CCSS1
4.61	Hunt	0	-1	O=C(O)CCc1ccc(Cl)cc1	O=C([O-])CCc1ccc(Cl)cc1	mol1821	O=C(O)CCc1ccc(Cl)cc1
9.87	Hunt	1	0	CC[NH+](CC)CCO	CCN(CC)CCO	mol1822	CCN(CC)CCO
2.93	Hunt	0	-1	N#Cc1ccc(OCC(=O)O)cc1	N#Cc1ccc(OCC(=O)[O-])cc1	mol1823	N#Cc1ccc(OCC(=O)O)cc1
10.35	Hunt	1	0	[NH3+]CCCCO	NCCCCO	mol1824	NCCCCO
2.95	Hunt	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
3.5	Hunt	0	-1	CC(=O)Oc1ccccc1C(=O)O	CC(=O)Oc1ccccc1C(=O)[O-]	mol27	CC(=O)Oc1ccccc1C(=O)O
4.04	Hunt	0	-1	CC(C)(O)C(=O)O	CC(C)(O)C(=O)[O-]	mol1826	CC(C)(O)C(=O)O
10.52	Hunt	0	-1	COc1cccc(CN)c1O,COc1cccc(C[NH3+])c1[O-]	COc1cccc(CN)c1[O-]	mol1827	COc1cccc(CN)c1O
10.15	Hunt	1	0	C[C@@H]1CCC[C@H](C)[NH+]1C	C[C@@H]1CCC[C@H](C)N1C	mol1828	C[C@@H]1CCC[C@H](C)N1C
8.7	Hunt	1	0	C[C@@H](O)C[NH+](C)CCO	C[C@@H](O)CN(C)CCO	mol1829	C[C@@H](O)CN(C)CCO
3.095	Hunt	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
8.06	Hunt	1	0	C[N+](C)(C)c1cccc(O)c1	C[N+](C)(C)c1cccc([O-])c1	mol1831	C[N+](C)(C)c1cccc(O)c1
9.05	Hunt	0	-1	Oc1ccc(Cl)c2cccnc12,[O-]c1ccc(Cl)c2ccc[nH+]c12	[O-]c1ccc(Cl)c2cccnc12	mol1832	Oc1ccc(Cl)c2cccnc12
3.65	Hunt	0	-1	CCOP(=O)(OCC)c1cccc(C(=O)O)c1	CCOP(=O)(OCC)c1cccc(C(=O)[O-])c1	mol1833	CCOP(=O)(OCC)c1cccc(C(=O)O)c1
10.06	Hunt	1	0	C[NH+]1[C@@H]2CC[C@H]1C[C@@H](O)C2	CN1[C@@H]2CC[C@H]1C[C@@H](O)C2	mol1834	CN1[C@@H]2CC[C@H]1CC(O)C2
7.88	Hunt	0	-1	[O-]c1c[nH+]c2ncccc2n1,Oc1cnc2ncccc2n1,[O-]c1cnc2[nH+]cccc2n1	[O-]c1cnc2ncccc2n1	mol1835	Oc1cnc2ncccc2n1
10.9	Hunt	0	-1	[NH3+]CCc1ccc([O-])cc1,NCCc1ccc(O)cc1	NCCc1ccc([O-])cc1	mol1836	NCCc1ccc(O)cc1
8.09	Hunt	1	0	CC[C@@](C)(C[NH+](C)C)OC(=O)c1ccccc1	CC[C@@](C)(CN(C)C)OC(=O)c1ccccc1	mol1837	CC[C@@](C)(CN(C)C)OC(=O)c1ccccc1
3.1	Hunt	0	-1	C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl	C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl	mol366	C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
7.19	Hunt	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
7.21	Hunt	0	-1	CC(C)c1cccc(=O)c(O)c1	CC(C)c1cccc(=O)c([O-])c1	mol1839	CC(C)c1cccc(=O)c(O)c1
8.35	Hunt	1	0	C[N+](C)(C)c1ccc(O)cc1	C[N+](C)(C)c1ccc([O-])cc1	mol1840	C[N+](C)(C)c1ccc(O)cc1
4.07	Hunt	0	-1	COC(=O)[C@](C)(CC(=O)O)c1ccc([N+](=O)[O-])cc1	COC(=O)[C@](C)(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1	mol1841	COC(=O)[C@](C)(CC(=O)O)c1ccc([N+](=O)[O-])cc1
11.12	Hunt	0	-1	Oc1ccncc1,[O-]c1cc[nH+]cc1	[O-]c1ccncc1	mol1842	Oc1ccncc1
4.37	Hunt	0	-1	Cc1ccc(CC(=O)O)cc1	Cc1ccc(CC(=O)[O-])cc1	mol1843	Cc1ccc(CC(=O)O)cc1
7.892	Hunt	0	-1	Oc1ccc(Cl)cc1Cl	[O-]c1ccc(Cl)cc1Cl	mol1844	Oc1ccc(Cl)cc1Cl
5.5	Hunt	0	-1	O=C(O)c1ccc2cccccc1-2	O=C([O-])c1ccc2cccccc1-2	mol1845	O=C(O)c1ccc2cccccc1-2
7.64	Hunt	1	0	COC(=O)C1=CCC[NH+](C)C1	COC(=O)C1=CCCN(C)C1	mol1846	COC(=O)C1=CCCN(C)C1
9.9	Hunt	0	-1	CCc1cccc(O)c1	CCc1cccc([O-])c1	mol1847	CCc1cccc(O)c1
4.26	Hunt	1	0	Nc1ncc2nccnc2[nH+]1,[NH3+]c1ncc2nccnc2n1,Nc1nc2nccnc2c[nH+]1,Nc1ncc2[nH+]ccnc2n1,Nc1ncc2ncc[nH+]c2n1	Nc1ncc2nccnc2n1	mol1848	Nc1ncc2nccnc2n1
9.48	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1cccc(F)c1	CC(C)NC[C@H](O)c1cccc(F)c1	mol1849	CC(C)NC[C@H](O)c1cccc(F)c1
5.0	Hunt	1	0	Cc1cc(C)[nH+]c(N)n1,Cc1cc(C)nc([NH3+])n1	Cc1cc(C)nc(N)n1	mol1850	Cc1cc(C)nc(N)n1
4.766	Hunt	0	-1	CC[C@@H](C)CC(=O)O	CC[C@@H](C)CC(=O)[O-]	mol1851	CC[C@@H](C)CC(=O)O
7.68	Hunt	1	0	C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)[NH+]1CCCCC1	C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)N1CCCCC1	mol1852	C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)N1CCCCC1
9.99	Hunt	0	-1	Oc1ccccc1	[O-]c1ccccc1	mol1853	Oc1ccccc1
3.19	Hunt	0	-1	O=C(O)[C@H](O)c1ccccc1	O=C([O-])[C@H](O)c1ccccc1	mol1854	O=C(O)[C@H](O)c1ccccc1
10.2	Hunt	0	-1	CCc1ccccc1O	CCc1ccccc1[O-]	mol1855	CCc1ccccc1O
9.52	Hunt	1	0	CC[C@@H]([NH3+])CO	CC[C@@H](N)CO	mol1856	CC[C@@H](N)CO
3.71	Hunt	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
3.18	Hunt	0	-1	O=C(O)CI	O=C([O-])CI	mol1858	O=C(O)CI
8.2	Hunt	1	0	C=CC[NH+](C[C@@H](C)O)C[C@@H](C)O	C=CCN(C[C@@H](C)O)C[C@@H](C)O	mol1859	C=CCN(C[C@@H](C)O)C[C@@H](C)O
4.64	Hunt	0	-1	CC(=O)CCC(=O)O	CC(=O)CCC(=O)[O-]	mol1860	CC(=O)CCC(=O)O
2.54	Hunt	0	-1	C=C[C@@H](Cl)C(=O)O	C=C[C@@H](Cl)C(=O)[O-]	mol1861	C=C[C@@H](Cl)C(=O)O
3.861	Hunt	0	-1	C[C@H](O)C(=O)O	C[C@H](O)C(=O)[O-]	mol1862	C[C@H](O)C(=O)O
2.97	Hunt	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
5.7	Hunt	1	0	[NH3+]CC(F)(F)F	NCC(F)(F)F	mol193	NCC(F)(F)F
8.9	Hunt	1	0	CC[NH+](CCO)C[C@@H](C)O	CCN(CCO)C[C@@H](C)O	mol1864	CCN(CCO)C[C@@H](C)O
9.53	Hunt	0	-1	CSc1cccc(O)c1	CSc1cccc([O-])c1	mol1865	CSc1cccc(O)c1
2.49	Hunt	0	-1	CC(=O)C(=O)O	CC(=O)C(=O)[O-]	mol1866	CC(=O)C(=O)O
4.68	Hunt	0	-1	Cc1ccc(CCC(=O)O)cc1	Cc1ccc(CCC(=O)[O-])cc1	mol1867	Cc1ccc(CCC(=O)O)cc1
8.29	Hunt	1	0	CC[NH+](CC)CCC#N	CCN(CC)CCC#N	mol1868	CCN(CC)CCC#N
10.01	Hunt	0	-1	Oc1ccccc1-c1ccccc1	[O-]c1ccccc1-c1ccccc1	mol1869	Oc1ccccc1-c1ccccc1
3.56	Hunt	1	0	C=CC[NH2+]c1ccccc1	C=CCNc1ccccc1	mol1870	C=CCNc1ccccc1
2.65	Hunt	0	-1	CC#CC(=O)O	CC#CC(=O)[O-]	mol1871	CC#CC(=O)O
9.25	Hunt	0	-1	CC(=O)c1cccc(O)c1	CC(=O)c1cccc([O-])c1	mol1872	CC(=O)c1cccc(O)c1
9.4	Hunt	1	0	CC(=O)OCCCC[NH+](C)C	CC(=O)OCCCCN(C)C	mol236	CC(=O)OCCCCN(C)C
4.25	Hunt	0	-1	O=C(O)Cc1ccc(F)cc1	O=C([O-])Cc1ccc(F)cc1	mol1873	O=C(O)Cc1ccc(F)cc1
3.79	Hunt	0	-1	O=C(O)/C=C/Cl	O=C([O-])/C=C/Cl	mol1874	O=C(O)/C=C/Cl
10.43	Hunt	1	0	C[NH2+]CCCc1ccccc1	CNCCCc1ccccc1	mol1875	CNCCCc1ccccc1
2.45	Hunt	0	-1	N#CCC(=O)O	N#CCC(=O)[O-]	mol1876	N#CCC(=O)O
1.65	Hunt	0	-1	C[S@](=O)O	C[S@](=O)[O-]	mol1877	C[S@](=O)O
9.99	Hunt	1	0	C[NH2+][C@H](C)Cc1ccccc1	CN[C@H](C)Cc1ccccc1	mol1878	CN[C@H](C)Cc1ccccc1
10.31	Hunt	0	-1	Cc1ccc2cccc([O-])c2[nH+]1,Cc1ccc2cccc(O)c2n1	Cc1ccc2cccc([O-])c2n1	mol1879	Cc1ccc2cccc(O)c2n1
6.0	Hunt	1	0	[NH3+]CC(Cl)(Cl)CCl	NCC(Cl)(Cl)CCl	mol1880	NCC(Cl)(Cl)CCl
10.65	Hunt	1	0	[NH3+]C1CCCC1	NC1CCCC1	mol1881	NC1CCCC1
4.85	Hunt	0	-1	CCCCC(=O)O	CCCCC(=O)[O-]	mol1882	CCCCC(=O)O
4.36	Hunt	0	-1	COc1ccc(CC(=O)O)cc1	COc1ccc(CC(=O)[O-])cc1	mol1883	COc1ccc(CC(=O)O)cc1
1.45	Hunt	0	-1	O=[S@](O)Cc1ccccc1	O=[S@]([O-])Cc1ccccc1	mol1884	O=[S@](O)Cc1ccccc1
10.91	Hunt	1	0	CC[C@@H](C)[NH2+][C@H](C)CC	CC[C@@H](C)N[C@H](C)CC	mol1885	CC[C@@H](C)N[C@H](C)CC
9.35	Hunt	1	0	CCOP(=O)(CCC[NH+](CC)CC)OCC	CCOP(=O)(CCCN(CC)CC)OCC	mol1886	CCOP(=O)(CCCN(CC)CC)OCC
2.85	Hunt	0	-1	O=C(O)CC(=O)O	O=C([O-])CC(=O)O	mol1887	O=C(O)CC(=O)O
4.33	Hunt	0	-1	O=C(O)/C=C/c1ccccc1Br	O=C([O-])/C=C/c1ccccc1Br	mol1888	O=C(O)/C=C/c1ccccc1Br
4.782	Hunt	0	-1	CCC[C@H](C)C(=O)O	CCC[C@H](C)C(=O)[O-]	mol1889	CCC[C@H](C)C(=O)O
10.29	Hunt	1	0	C[NH+](C)C(C)(C)C	CN(C)C(C)(C)C	mol1890	CN(C)C(C)(C)C
4.23	Hunt	0	-1	O=C(O)Cc1cccc2ccccc12	O=C([O-])Cc1cccc2ccccc12	mol1891	O=C(O)Cc1cccc2ccccc12
4.204	Hunt	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
1.96	Hunt	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
4.55	Hunt	0	-1	CC(=O)O	CC(=O)[O-]	mol41	CC(=O)O
3.28	Hunt	0	-1	Cc1cc2ccccc2c(C(=O)O)c1C	Cc1cc2ccccc2c(C(=O)[O-])c1C	mol1894	Cc1cc2ccccc2c(C(=O)O)c1C
9.45	Hunt	1	0	Cc1cccc(C[NH3+])c1	Cc1cccc(CN)c1	mol1895	Cc1cccc(CN)c1
9.59	Hunt	1	0	C[NH2+]Cc1ccccc1	CNCc1ccccc1	mol1896	CNCc1ccccc1
3.6	Hunt	0	-1	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1	CCOP(=O)(OCC)c1ccc(C(=O)[O-])cc1	mol1897	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1
9.84	Hunt	0	-1	CN1[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-](CO)c1ccccc1)C2,CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](C[O-])c1ccccc1)C2	mol115	CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2
9.35	Hunt	1	0	C[C@H]([NH3+])c1ccccc1	C[C@H](N)c1ccccc1	mol1898	C[C@H](N)c1ccccc1
10.19	Hunt	0	-1	C=CCc1ccc(O)c(OC)c1	C=CCc1ccc([O-])c(OC)c1	mol1899	C=CCc1ccc(O)c(OC)c1
1.38	Hunt	1	0	[NH3+]c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1	Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1	mol1900	Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
4.75	Hunt	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
4.34	Hunt	0	-1	O=C(O)[C@H]1CCCC[C@@H]1O	O=C([O-])[C@H]1CCCC[C@@H]1O	mol1902	O=C(O)[C@H]1CCCC[C@@H]1O
11.25	Hunt	0	-1	Cc1c(C)c(O)c(C)c(C)c1O	Cc1c(C)c(O)c(C)c(C)c1[O-]	mol1903	Cc1c(C)c(O)c(C)c(C)c1O
8.05	Hunt	0	-1	CC(=O)c1ccc(O)cc1	CC(=O)c1ccc([O-])cc1	mol1904	CC(=O)c1ccc(O)cc1
4.073	Hunt	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
3.22	Hunt	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
8.79	Hunt	1	0	[NH3+]C[C@H](O)c1ccccc1	NC[C@H](O)c1ccccc1	mol1907	NC[C@H](O)c1ccccc1
8.32	Hunt	1	0	CC(=O)O[C@H](C)C[NH+](C)C	CC(=O)O[C@H](C)CN(C)C	mol1908	CC(=O)O[C@H](C)CN(C)C
5.21	Hunt	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
4.3	Hunt	0	-1	O=C(O)Cc1ccc2ccccc2c1	O=C([O-])Cc1ccc2ccccc2c1	mol1910	O=C(O)Cc1ccc2ccccc2c1
4.17	Hunt	1	0	CC(C)(C)C[NH2+]c1ccccc1	CC(C)(C)CNc1ccccc1	mol1911	CC(C)(C)CNc1ccccc1
4.54	Hunt	0	-1	O=C(O)CCc1ccc([N+](=O)[O-])cc1	O=C([O-])CCc1ccc([N+](=O)[O-])cc1	mol1912	O=C(O)CCc1ccc([N+](=O)[O-])cc1
8.27	Hunt	0	-1	Cc1cc(C#N)cc(C)c1O	Cc1cc(C#N)cc(C)c1[O-]	mol1913	Cc1cc(C#N)cc(C)c1O
3.28	Hunt	0	-1	Cc1cc(Cl)ccc1OCC(=O)O	Cc1cc(Cl)ccc1OCC(=O)[O-]	mol1914	Cc1cc(Cl)ccc1OCC(=O)O
8.94	Hunt	1	0	COc1cc(C[NH3+])ccc1O	COc1cc(CN)ccc1O,COc1cc(C[NH3+])ccc1[O-]	mol1915	COc1cc(CN)ccc1O
4.78	Hunt	1	0	[NH3+]c1ccc([C@@]23CCCC[C@@H]2C3)cc1	Nc1ccc([C@@]23CCCC[C@@H]2C3)cc1	mol1916	Nc1ccc([C@@]23CCCC[C@@H]2C3)cc1
3.52	Hunt	1	0	C[NH2+]c1nc(C)c(Br)c(C)n1,CNc1nc(C)c(Br)c(C)[nH+]1	CNc1nc(C)c(Br)c(C)n1	mol1917	CNc1nc(C)c(Br)c(C)n1
4.664	Hunt	0	-1	O=C(O)CCc1ccccc1	O=C([O-])CCc1ccccc1	mol1918	O=C(O)CCc1ccccc1
2.95	Hunt	0	-1	Cc1cc([N+](=O)[O-])ccc1C(=O)O	Cc1cc([N+](=O)[O-])ccc1C(=O)[O-]	mol1919	Cc1cc([N+](=O)[O-])ccc1C(=O)O
3.85	Hunt	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
2.78	Hunt	0	-1	O=C(O)c1ccccc1O	O=C([O-])c1ccccc1O,O=C(O)c1ccccc1[O-]	mol17	O=C(O)c1ccccc1O
9.6	Hunt	0	-1	CNC[C@H](O)c1ccc(O)cc1,C[NH2+]C[C@H](O)c1ccc([O-])cc1	CNC[C@H](O)c1ccc([O-])cc1	mol1921	CNC[C@H](O)c1ccc(O)cc1
8.7	Hunt	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	mol1922	COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C
3.107	Hunt	0	-1	Cc1ccc2ccccc2c1C(=O)O	Cc1ccc2ccccc2c1C(=O)[O-]	mol1923	Cc1ccc2ccccc2c1C(=O)O
2.59	Hunt	0	-1	O=C(O)CF	O=C([O-])CF	mol1924	O=C(O)CF
2.87	Hunt	0	-1	O=C(O)CCl	O=C([O-])CCl	mol1925	O=C(O)CCl
2.89	Hunt	0	-1	O=C(O)CBr	O=C([O-])CBr	mol1926	O=C(O)CBr
1.26	Hunt	0	-1	O=C(O)C(Cl)Cl	O=C([O-])C(Cl)Cl	mol1927	O=C(O)C(Cl)Cl
0.51	Hunt	0	-1	O=C(O)C(Cl)(Cl)Cl	O=C([O-])C(Cl)(Cl)Cl	mol1928	O=C(O)C(Cl)(Cl)Cl
3.99	Hunt	0	-1	O=C(O)CCCl	O=C([O-])CCCl	mol1929	O=C(O)CCCl
4.09	Hunt	0	-1	O=C(O)CCI	O=C([O-])CCI	mol1930	O=C(O)CCI
4.5	Hunt	0	-1	C/C=C/C=C/C(=O)O	C/C=C/C=C/C(=O)[O-]	mol1931	C/C=C/C=C/C(=O)O
5.2	Hunt	0	-1	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1	COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(C)cc(C)n1	mol1932	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
4.0	Hunt	0	-1	COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1	mol1933	COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
10.4	Hunt	-1	-2	O=C(O)C[S-],O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
4.64	Hunt	0	-1	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1	COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2OCCCl)n1	mol1935	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1
4.7	Hunt	0	-1	COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1	COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)N(C)c1nc(C)nc(OC)n1	mol1936	COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1
3.97	Hunt	0	-1	O=C([O-])COc1[nH+]c(Cl)c(Cl)cc1Cl,O=C(O)COc1nc(Cl)c(Cl)cc1Cl	O=C([O-])COc1nc(Cl)c(Cl)cc1Cl	mol1937	O=C(O)COc1nc(Cl)c(Cl)cc1Cl
4.4	Hunt	0	-1	COC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1	COC(=O)c1cccc(C)c1S(=O)(=O)[N-]C(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1	mol1938	COC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1
5.33	Hunt	0	-1	CC(=O)c1ccc(S)cc1	CC(=O)c1ccc([S-])cc1	mol1939	CC(=O)c1ccc(S)cc1
9.35	Hunt	0	-1	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CS	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C[S-]	mol1940	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CS
13.11	Hunt	0	-1	OCC(F)F	[O-]CC(F)F	mol1941	OCC(F)F
14.2	Hunt	0	-1	OCCF	[O-]CCF	mol1942	OCCF
7.9	Hunt	0	-1	CS(=O)(=O)CCS	CS(=O)(=O)CC[S-]	mol1943	CS(=O)(=O)CCS
9.71	Hunt	0	-1	Cc1cc(Cl)ccc1O	Cc1cc(Cl)ccc1[O-]	mol1944	Cc1cc(Cl)ccc1O
5.78	Hunt	0	-1	Sc1cccc(Cl)c1	[S-]c1cccc(Cl)c1	mol1945	Sc1cccc(Cl)c1
6.39	Hunt	0	-1	COc1cccc(S)c1	COc1cccc([S-])c1	mol1946	COc1cccc(S)c1
6.66	Hunt	0	-1	Cc1cccc(S)c1	Cc1cccc([S-])c1	mol1947	Cc1cccc(S)c1
6.02	Hunt	0	-1	Sc1ccc(Br)cc1	[S-]c1ccc(Br)cc1	mol1948	Sc1ccc(Br)cc1
10.34	Hunt	0	-1	CCCc1ccc(O)cc1	CCCc1ccc([O-])cc1	mol1949	CCCc1ccc(O)cc1
15.52	Hunt	0	-1	C=CCO	C=CC[O-]	mol1950	C=CCO
5.2	Hunt	0	-1	COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	COC(=O)c1ccccc1CS(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1	mol1951	COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
3.3	Hunt	0	-1	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	CC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O	mol1952	CC(C)N1C(=O)c2ccccc2NS1(=O)=O
6.41	Hunt	1	0	Cc1ccc(-n2[nH+]c(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	mol1953	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
8.07	Hunt	1	0	CCC[NH+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	mol1954	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
6.7	Hunt	0	-1	Cc1cc(C[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)[O-],Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)O	Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)[O-]	mol1955	Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)O
2.9	Hunt	1	0	Cc1cc(C[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)O	Cc1cc(C[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)[O-],Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)O	mol1955	Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)O
8.16	Hunt	1	0	CCCC[NH+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C	CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C	mol1956	CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C
9.45	Hunt	1	0	CN(C)CCC[NH+]1c2ccccc2CCc2ccccc21,C[NH+](C)CCCN1c2ccccc2CCc2ccccc21	CN(C)CCCN1c2ccccc2CCc2ccccc21	mol97	CN(C)CCCN1c2ccccc2CCc2ccccc21
7.59	Hunt	1	0	COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH3+])c1	COc1ccc(OC)c([C@@H](O)CNC(=O)CN)c1	mol1957	COc1ccc(OC)c([C@@H](O)CNC(=O)CN)c1
7.5	Hunt	1	0	CC[NH+](CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	mol1958	CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1
8.3	Hunt	1	0	COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](C)C)c1	COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1	mol1959	COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1
6.81	Hunt	1	0	CC(=O)NC[C@H]1CN(c2ccc([NH+]3CCOCC3)c(F)c2)C(=O)O1	CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1	mol1960	CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
2.51	Hunt	1	0	Cc1[nH+]cc([N+](=O)[O-])n1CCO	Cc1ncc([N+](=O)[O-])n1CCO	mol1961	Cc1ncc([N+](=O)[O-])n1CCO
8.6	Hunt	1	0	CCOC(=O)C1=C(COCCN)[NH2+]C(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl,CCOC(=O)C1=C(COCC[NH3+])NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	mol1962	CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl
4.2	Hunt	0	-1	COc1ccc2cc([C@H](C)C(=O)O)ccc2c1	COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1	mol1963	COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
5.6	Hunt	0	-1	Cc1cc(C[NH+]2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-],Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O	Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-]	mol1964	Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O
3.1	Hunt	1	0	Cc1cc(C[NH+]2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O	Cc1cc(C[NH+]2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-],Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O	mol1964	Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O
8.8	Hunt	1	0	""	""	mol1965	C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
8.15	Hunt	1	0	N#Cc1ccc(C(=O)N2CCC3(CC2)Nc2c(F)ccc(F)c2C(N)=[NH+]3)cc1,N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2[NH2+]3)cc1	N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cc1	mol1966	N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cc1
2.41	Hunt	0	-1	O=C(O)/C=C(/c1ccccc1)C(F)(F)F	O=C([O-])/C=C(/c1ccccc1)C(F)(F)F	mol1967	O=C(O)/C=C(/c1ccccc1)C(F)(F)F
3.3	Hunt	0	-1	CCC(CC)NC(=O)c1nnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1	CCC(CC)NC(=O)c1nnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1	mol1968	CCC(CC)NC(=O)c1nnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
4.6	Hunt	0	-1	CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1	CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1[N-]S(=O)(=O)c1ccc(C)cc1	mol1969	CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1
5.0	Hunt	0	-1	Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C	Cc1nn(C2CCOCC2)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C	mol1970	Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C
3.6	Hunt	1	0	O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C(c1ccc(-c2n[nH]n[nH+]2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C(c1ccc(-c2nn[nH][nH+]2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C(c1ccc(-c2n[nH][nH+]n2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol1971	O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
8.1	Hunt	0	-1	O=C(NS(=O)(=O)c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C([N-]S(=O)(=O)c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol1972	O=C(NS(=O)(=O)c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
3.3	Hunt	2	1	O=S(=O)(NC(=[OH+])N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1	O=C(NS(=O)(=O)c1ccccc1)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol1972	O=C(NS(=O)(=O)c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
8.26	Hunt	1	0	CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH][nH+]cc34)o2)CC1,CC(C)N1CC[NH+](Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1,CC(C)N1CCN(Cc2c[nH+]c(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1,CC(C)[NH+]1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1	CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1	mol1973	CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1
10.5	Hunt	0	-1	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)ccc12	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[n-]c(=O)ccc12	mol1974	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)ccc12
3.32	Hunt	0	-1	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	mol1975	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O
7.8	Hunt	1	0	Cc1[nH]cc[nH+]1	Cc1ncc[nH]1	mol1976	Cc1ncc[nH]1
7.2	Hunt	1	0	[NH3+]c1nc2ccccc2[nH]1,Nc1[nH]c2ccccc2[nH+]1	Nc1nc2ccccc2[nH]1	mol1977	Nc1nc2ccccc2[nH]1
7.6	Hunt	0	-1	NC1=Nc2cccc3cccc(c23)N1	NC1=Nc2cccc3cccc(c23)[N-]1,[NH-]C1=Nc2cccc3cccc(c23)N1	mol1978	NC1=Nc2cccc3cccc(c23)N1
8.5	Hunt	1	0	[NH3+]C[C@@H]1Cc2c1ccc(O)c2O	[NH3+]C[C@@H]1Cc2c1ccc([O-])c2O,NC[C@@H]1Cc2c1ccc(O)c2O,[NH3+]C[C@@H]1Cc2c1ccc(O)c2[O-]	mol1979	NC[C@@H]1Cc2c1ccc(O)c2O
10.4	Hunt	-1	-2	NC[C@@H]1Cc2c1ccc(O)c2[O-],[NH3+]C[C@@H]1Cc2c1ccc([O-])c2[O-],NC[C@@H]1Cc2c1ccc([O-])c2O	NC[C@@H]1Cc2c1ccc([O-])c2[O-]	mol1979	NC[C@@H]1Cc2c1ccc(O)c2O
4.3	Hunt	1	0	c1ccc(CSc2nc3ccccc3o2)[nH+]c1,c1ccc(CSc2[nH+]c3ccccc3o2)nc1	c1ccc(CSc2nc3ccccc3o2)nc1	mol1980	c1ccc(CSc2nc3ccccc3o2)nc1
9.13	Hunt	1	0	NC1=[NH+][C@H](c2ccco2)Nc2ccccc21,NC1=N[C@H](c2ccco2)[NH2+]c2ccccc21	NC1=N[C@H](c2ccco2)Nc2ccccc21	mol1981	NC1=N[C@H](c2ccco2)Nc2ccccc21
3.4	Hunt	1	0	Cc1[nH][nH+]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C	Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C	mol1982	Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C
7.0	Hunt	0	-1	C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12	C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[n-]c(=O)sc12	mol1983	C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12
8.92	Hunt	0	-1	CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,C[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c([O-])c1-3,C[NH+]1CCc2cccc3c2[C@H]1Cc1ccc([O-])c(O)c1-3	C[NH+]1CCc2cccc3c2[C@H]1Cc1ccc([O-])c([O-])c1-3,CN1CCc2cccc3c2[C@H]1Cc1ccc([O-])c(O)c1-3,CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c([O-])c1-3	mol1984	CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3
8.7	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccnc(N2CC[NH2+]CC2)c1Cl,O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc[nH+]c(N2CCNCC2)c1Cl,O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccnc([NH+]2CCNCC2)c1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccnc(N2CCNCC2)c1Cl	mol1985	O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCNCC2)c1Cl
7.2	Hunt	1	0	Cc1cc[nH+]c(N)c1N,Cc1ccnc([NH3+])c1N,Cc1ccnc(N)c1[NH3+]	Cc1ccnc(N)c1N	mol1986	Cc1ccnc(N)c1N
9.29	Hunt	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
10.3	Hunt	1	0	c1ccc2c(CC3=[NH+]CCN3)cccc2c1	c1ccc2c(CC3=NCCN3)cccc2c1	mol1987	c1ccc2c(CC3=NCCN3)cccc2c1
9.5	Hunt	1	0	COC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1	mol1988	COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1
7.88	Hunt	1	0	C[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3ccc[nH+]c32)CC1,CN1CC[NH+](CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1	CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1	mol1989	CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
10.71	Hunt	0	-1	CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1	CN1CCN(CC(=O)N2c3ccccc3C(=O)[N-]c3cccnc32)CC1	mol1989	CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
8.4	Hunt	0	-1	O=C(CCl)NO	O=C(CCl)N[O-]	mol1990	O=C(CCl)NO
4.98	Hunt	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	mol1991	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
9.1	Hunt	0	-1	N[C@H]1CC[NH+](c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1,[NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1,N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1	N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1	mol1992	N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
5.77	Hunt	1	0	N[C@H]1CC[NH+](c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,[NH3+][C@H]1CC[NH+](c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1,[NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1	N[C@H]1CC[NH+](c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1,[NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1,N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1	mol1992	N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
2.32	Hunt	0	-1	O=C([O-])c1[nH+]c(Cl)ccc1Cl,O=C(O)c1nc(Cl)ccc1Cl	O=C([O-])c1nc(Cl)ccc1Cl	mol6	O=C(O)c1nc(Cl)ccc1Cl
3.18	Hunt	1	0	C/C(=[NH+]\NC(=O)Nc1cc(F)cc(F)c1)c1[nH+]cccc1C(=O)[O-],C/C(=[NH+]\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)O,C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1[nH+]cccc1C(=O)O	C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)O,C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1[nH+]cccc1C(=O)[O-],C/C(=[NH+]\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)[O-]	mol1993	C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)O
4.62	Hunt	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-]	mol1994	CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
4.2	Hunt	0	-1	CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1	CCOc1nc(NC)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)n1	mol1995	CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1
4.9	Hunt	0	-1	COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1	mol1996	COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
9.88	Hunt	0	-1	C/C=C\c1ccc(O)c(OC)c1	C/C=C\c1ccc([O-])c(OC)c1	mol1997	C/C=C\c1ccc(O)c(OC)c1
9.72	Hunt	0	-1	OCCS	OCC[S-]	mol1998	OCCS
14.82	Hunt	0	-1	COCCO	COCC[O-]	mol1999	COCCO
10.9	Hunt	1	0	CCCC[NH2+]C	CCCCNC	mol2000	CCCCNC
9.92	Hunt	0	-1	CC(=O)NCCS	CC(=O)NCC[S-]	mol2001	CC(=O)NCCS
9.52	Hunt	-1	-2	CC(=O)N[C@@H](CS)C(=O)[O-],CC(=O)N[C@@H](C[S-])C(=O)O	CC(=O)N[C@@H](C[S-])C(=O)[O-]	mol2002	CC(=O)N[C@@H](CS)C(=O)O
16.04	Hunt	0	-1	CC(C)(C)CO	CC(C)(C)C[O-]	mol2003	CC(C)(C)CO
10.24	Hunt	0	-1	CC(C)c1ccc(O)cc1	CC(C)c1ccc([O-])cc1	mol2004	CC(C)c1ccc(O)cc1
9.19	Hunt	0	-1	O=C(Cc1ccccc1)NO	O=C(Cc1ccccc1)N[O-]	mol2005	O=C(Cc1ccccc1)NO
15.48	Hunt	0	-1	OCCc1ccccc1	[O-]CCc1ccccc1	mol2006	OCCc1ccccc1
4.34	Hunt	0	-1	O=C([O-])c1c(Cl)ccc2cc(Cl)c[nH+]c12,O=C(O)c1c(Cl)ccc2cc(Cl)cnc12	O=C([O-])c1c(Cl)ccc2cc(Cl)cnc12	mol2007	O=C(O)c1c(Cl)ccc2cc(Cl)cnc12
3.96	Hunt	0	-1	Cc1cnc2c(C(=O)O)c(Cl)ccc2c1,Cc1c[nH+]c2c(C(=O)[O-])c(Cl)ccc2c1	Cc1cnc2c(C(=O)[O-])c(Cl)ccc2c1	mol30	Cc1cnc2c(C(=O)O)c(Cl)ccc2c1
8.94	Hunt	0	-1	C[C@@H]1C[NH+](c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1,C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1,C[C@@H]1CN(c2c(F)c([NH3+])c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1,C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1	C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1	mol2008	C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1
6.31	Hunt	1	0	C[C@@H]1CN(c2c(F)c([NH3+])c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1,C[C@@H]1C[NH+](c2c(F)c([NH3+])c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1,C[C@@H]1C[NH+](c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1,C[C@@H]1C[NH+](c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1,C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1,C[C@@H]1CN(c2c(F)c([NH3+])c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1	C[C@@H]1C[NH+](c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1,C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1,C[C@@H]1CN(c2c(F)c([NH3+])c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1,C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1	mol2008	C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1
6.23	Hunt	0	-1	Oc1c(Cl)cc(Cl)cc1Cl	[O-]c1c(Cl)cc(Cl)cc1Cl	mol2009	Oc1c(Cl)cc(Cl)cc1Cl
7.51	Hunt	0	-1	Oc1cc(Cl)ccc1Cl	[O-]c1cc(Cl)ccc1Cl	mol2010	Oc1cc(Cl)ccc1Cl
6.21	Hunt	0	-1	Oc1c(Cl)cc(Br)cc1Cl	[O-]c1c(Cl)cc(Br)cc1Cl	mol2011	Oc1c(Cl)cc(Br)cc1Cl
3.54	Hunt	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
7.25	Hunt	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
1.27	Hunt	0	-1	O=C(O)C(=O)O	O=C([O-])C(=O)O	mol2014	O=C(O)C(=O)O
4.29	Hunt	-1	-2	O=C([O-])C(=O)O	O=C([O-])C(=O)[O-]	mol2014	O=C(O)C(=O)O
9.7	Hunt	0	-1	Cc1cc(O)cc(C)c1Cl	Cc1cc([O-])cc(C)c1Cl	mol2015	Cc1cc(O)cc(C)c1Cl
10.5	Hunt	0	-1	N[C@H]1CC[C@@H](C(=O)O)CC1,[NH3+][C@H]1CC[C@@H](C(=O)[O-])CC1	N[C@H]1CC[C@@H](C(=O)[O-])CC1	mol2016	NC1CCC(C(=O)O)CC1
4.3	Hunt	1	0	[NH3+][C@H]1CC[C@@H](C(=O)O)CC1	N[C@H]1CC[C@@H](C(=O)O)CC1,[NH3+][C@H]1CC[C@@H](C(=O)[O-])CC1	mol2016	NC1CCC(C(=O)O)CC1
4.84	Hunt	0	-1	CC(C)C(=O)O	CC(C)C(=O)[O-]	mol2017	CC(C)C(=O)O
4.56	Hunt	0	-1	O=C(O)CCCCc1ccccc1	O=C([O-])CCCCc1ccccc1	mol42	O=C(O)CCCCc1ccccc1
3.66	Hunt	1	0	C[N+](C)(C)c1cccc(CC(=O)O)c1	C[N+](C)(C)c1cccc(CC(=O)[O-])c1	mol2018	C[N+](C)(C)c1cccc(CC(=O)O)c1
3.8	Hunt	0	-1	COc1cc2ccccc2cc1C(=O)O	COc1cc2ccccc2cc1C(=O)[O-]	mol2019	COc1cc2ccccc2cc1C(=O)O
4.15	Hunt	0	-1	COC(=O)C[C@@](C)(C(=O)O)c1ccccc1	COC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1	mol2020	COC(=O)C[C@@](C)(C(=O)O)c1ccccc1
3.58	Hunt	0	-1	CCCCc1ccc([C@@H](O)C(=O)O)cc1	CCCCc1ccc([C@@H](O)C(=O)[O-])cc1	mol2021	CCCCc1ccc([C@@H](O)C(=O)O)cc1
10.91	Hunt	0	-1	CCCc1ccc(O)c(CCC)c1	CCCc1ccc([O-])c(CCC)c1	mol2022	CCCc1ccc(O)c(CCC)c1
4.17	Hunt	1	0	C[N+](C)(C)c1cccc(CCC(=O)O)c1	C[N+](C)(C)c1cccc(CCC(=O)[O-])c1	mol2023	C[N+](C)(C)c1cccc(CCC(=O)O)c1
4.22	Hunt	1	0	C[N+](C)(C)c1ccc(CCC(=O)O)cc1	C[N+](C)(C)c1ccc(CCC(=O)[O-])cc1	mol2024	C[N+](C)(C)c1ccc(CCC(=O)O)cc1
4.45	Hunt	0	-1	COC(=O)[C@@](C)(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1	COC(=O)[C@@](C)(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1	mol2025	COC(=O)[C@@](C)(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1
9.1	Hunt	0	-1	Oc1c(/N=N/c2nccs2)ccc2ccccc12,[O-]c1c(/N=[NH+]/c2nccs2)ccc2ccccc12,[O-]c1c(/[NH+]=N/c2nccs2)ccc2ccccc12,[O-]c1c(/N=N/c2[nH+]ccs2)ccc2ccccc12	[O-]c1c(/N=N/c2nccs2)ccc2ccccc12	mol2026	Oc1c(/N=N/c2nccs2)ccc2ccccc12
11.72	Hunt	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
11.7	Hunt	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
7.9	Hunt	0	-1	[O-]c1c(/[NH+]=N/c2ccccn2)ccc2ccccc12,[O-]c1c(/N=N/c2cccc[nH+]2)ccc2ccccc12,[O-]c1c(/N=[NH+]/c2ccccn2)ccc2ccccc12,Oc1c(/N=N/c2ccccn2)ccc2ccccc12	[O-]c1c(/N=N/c2ccccn2)ccc2ccccc12	mol2029	Oc1c(/N=N/c2ccccn2)ccc2ccccc12
7.85	Hunt	0	-1	O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(O)c1ccccc1	O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N([O-])c1ccccc1	mol2030	O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(O)c1ccccc1
7.88	Hunt	0	-1	O=C(c1ccccc1C(F)(F)F)N(O)c1ccccc1	O=C(c1ccccc1C(F)(F)F)N([O-])c1ccccc1	mol2031	O=C(c1ccccc1C(F)(F)F)N(O)c1ccccc1
11.2	Hunt	0	-1	Oc1ccc2ccccc2c1/N=N/c1ccccn1,[O-]c1ccc2ccccc2c1/[NH+]=N/c1ccccn1,[O-]c1ccc2ccccc2c1/N=[NH+]/c1ccccn1,[O-]c1ccc2ccccc2c1/N=N/c1cccc[nH+]1	[O-]c1ccc2ccccc2c1/N=N/c1ccccn1	mol2032	Oc1ccc2ccccc2c1/N=N/c1ccccn1
8.68	Hunt	0	-1	CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	CC(=O)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1	mol2033	CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
2.72	Hunt	0	-1	CC1(C)S[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)O	CC1(C)S[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	mol2034	CC1(C)S[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)O
12.4	Hunt	1	0	""	""	mol2035	[H]/N=C(/C)N
9.2	Hunt	1	0	CCO[Si](C)(C[NH3+])OCC	CCO[Si](C)(CN)OCC	mol2036	CCO[Si](C)(CN)OCC
9.25	Hunt	1	0	CC(C)(O)C[NH3+]	CC(C)(O)CN	mol2037	CC(C)(O)CN
9.71	Hunt	1	0	CC(C)([NH3+])CO	CC(C)(N)CO	mol2038	CC(C)(N)CO
10.68	Hunt	1	0	CC(C)(C)[NH3+]	CC(C)(C)N	mol2039	CC(C)(C)N
8.7	Hunt	1	0	[NH3+]CCC(F)(F)F	NCCC(F)(F)F	mol208	NCCC(F)(F)F
10.73	Hunt	1	0	C[Si](C)(C)CCC[NH3+]	C[Si](C)(C)CCCN	mol2040	C[Si](C)(C)CCCN
6.98	Hunt	1	0	CC(C)[NH+](CCCl)CCCl	CC(C)N(CCCl)CCCl	mol2041	CC(C)N(CCCl)CCCl
3.55	Hunt	0	-1	N#Cc1ccc(C(=O)O)cc1	N#Cc1ccc(C(=O)[O-])cc1	mol2042	N#Cc1ccc(C(=O)O)cc1
1.85	Hunt	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-]
10.08	Hunt	1	0	CC(C)[NH+](CCO)C(C)C	CC(C)N(CCO)C(C)C	mol2044	CC(C)N(CCO)C(C)C
10.91	Hunt	1	0	CC(C)C[NH2+]CC(C)C	CC(C)CNCC(C)C	mol2045	CC(C)CNCC(C)C
10.8	Hunt	1	0	CC(C)[NH2+]C[Si](C)(C)C	CC(C)NC[Si](C)(C)C	mol2046	CC(C)NC[Si](C)(C)C
10.7	Hunt	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
9.93	Hunt	1	0	CCCC[NH+](CCCC)CCCC	CCCCN(CCCC)CCCC	mol2047	CCCCN(CCCC)CCCC
8.94	Hunt	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	mol2048	CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
9.21	Hunt	1	0	C[C@@H](C=C(c1ccccc1)c1ccccc1)[NH+](C)C	C[C@@H](C=C(c1ccccc1)c1ccccc1)N(C)C	mol2049	C[C@@H](C=C(c1ccccc1)c1ccccc1)N(C)C
7.6	Hunt	1	0	CCCCCCCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCCCCCCCN(C[C@@H](C)O)C[C@@H](C)O	mol2050	CCCCCCCCCCN(C[C@@H](C)O)C[C@@H](C)O
4.24	Hunt	0	-1	CCCOc1ccccc1C(=O)O	CCCOc1ccccc1C(=O)[O-]	mol2051	CCCOc1ccccc1C(=O)O
10.85	Hunt	1	0	C[NH2+]C1CCCC1	CNC1CCCC1	mol2052	CNC1CCCC1
10.49	Hunt	1	0	[NH3+]CC1CCCCC1	NCC1CCCCC1	mol2053	NCC1CCCCC1
10.36	Hunt	1	0	CC1([NH3+])CCCCC1	CC1(N)CCCCC1	mol2054	CC1(N)CCCCC1
10.5	Hunt	1	0	C[C@@H]1CCCC[C@@H]1[NH3+]	C[C@@H]1CCCC[C@@H]1N	mol2055	C[C@@H]1CCCC[C@@H]1N
11.04	Hunt	1	0	C[NH2+]C1CCCCC1	CNC1CCCCC1	mol2056	CNC1CCCCC1
4.25	Hunt	0	-1	CCCCOc1cccc(C(=O)O)c1	CCCCOc1cccc(C(=O)[O-])c1	mol2057	CCCCOc1cccc(C(=O)O)c1
3.54	Hunt	1	0	Cc1cc(Br)cc(C)c1[NH3+]	Cc1cc(Br)cc(C)c1N	mol2058	Cc1cc(Br)cc(C)c1N
7.0	Hunt	1	0	CC(C)(C)[NH2+]c1ccccc1	CC(C)(C)Nc1ccccc1	mol2059	CC(C)(C)Nc1ccccc1
3.95	Hunt	0	-1	O=C(O)c1cccc(Oc2ccccc2)c1	O=C([O-])c1cccc(Oc2ccccc2)c1	mol2060	O=C(O)c1cccc(Oc2ccccc2)c1
6.49	Hunt	1	0	Cc1ccccc1[NH2+]C(C)(C)C	Cc1ccccc1NC(C)(C)C	mol2061	Cc1ccccc1NC(C)(C)C
2.8	Hunt	1	0	Clc1ccc(/C=[NH+]/c2ccccc2)cc1	Clc1ccc(/C=N/c2ccccc2)cc1	mol2062	Clc1ccc(/C=N/c2ccccc2)cc1
3.1	Hunt	1	0	COc1cc([NH3+])cc(Cl)c1	COc1cc(N)cc(Cl)c1	mol2063	COc1cc(N)cc(Cl)c1
2.969	Hunt	1	0	C[NH+](C)c1cccc(C#N)c1	CN(C)c1cccc(C#N)c1	mol2064	CN(C)c1cccc(C#N)c1
6.35	Hunt	1	0	C[NH+](c1ccccc1)C1CCCCC1	CN(c1ccccc1)C1CCCCC1	mol2065	CN(c1ccccc1)C1CCCCC1
2.3	Hunt	1	0	[NH3+]c1ccc(Br)cc1Br	Nc1ccc(Br)cc1Br	mol2066	Nc1ccc(Br)cc1Br
2.0	Hunt	1	0	[NH3+]c1ccc(Cl)cc1Cl	Nc1ccc(Cl)cc1Cl	mol2067	Nc1ccc(Cl)cc1Cl
6.61	Hunt	1	0	CC[NH+](CC)c1ccccc1	CCN(CC)c1ccccc1	mol2068	CCN(CC)c1ccccc1
4.7	Hunt	1	0	Cc1cccc([NH3+])c1C	Cc1cccc(N)c1C	mol2069	Cc1cccc(N)c1C
3.95	Hunt	1	0	Cc1cccc(C)c1[NH3+]	Cc1cccc(C)c1N	mol2070	Cc1cccc(C)c1N
4.91	Hunt	1	0	Cc1cc(C)cc([NH3+])c1	Cc1cc(C)cc(N)c1	mol2071	Cc1cc(C)cc(N)c1
3.28	Hunt	0	-1	O=C(O)c1cccc(Br)c1CO	O=C([O-])c1cccc(Br)c1CO	mol2072	O=C(O)c1cccc(Br)c1CO
1.96	Hunt	1	0	Cc1c([NH3+])ccc([N+](=O)[O-])c1C	Cc1c(N)ccc([N+](=O)[O-])c1C	mol2073	Cc1c(N)ccc([N+](=O)[O-])c1C
2.52	Hunt	1	0	CCOC(=O)c1ccc([NH3+])cc1	CCOC(=O)c1ccc(N)cc1	mol2074	CCOC(=O)c1ccc(N)cc1
5.48	Hunt	1	0	CCOC(=O)c1ccccc1[NH+](C)C	CCOC(=O)c1ccccc1N(C)C	mol2075	CCOC(=O)c1ccccc1N(C)C
4.7	Hunt	1	0	CCc1cccc([NH3+])c1	CCc1cccc(N)c1	mol2076	CCc1cccc(N)c1
4.96	Hunt	1	0	CC[NH2+]c1ccccc1C	CCNc1ccccc1C	mol2077	CCNc1ccccc1C
5.72	Hunt	1	0	CC[NH2+]c1ccc(C)cc1	CCNc1ccc(C)cc1	mol2078	CCNc1ccc(C)cc1
6.34	Hunt	1	0	CCC(C)(CC)[NH2+]c1ccccc1	CCC(C)(CC)Nc1ccccc1	mol2079	CCC(C)(CC)Nc1ccccc1
6.39	Hunt	1	0	CCC[NH+](CC)c1ccccc1	CCCN(CC)c1ccccc1	mol2080	CCCN(CC)c1ccccc1
3.18	Hunt	0	-1	O=C(O)c1cccc(I)c1CO	O=C([O-])c1cccc(I)c1CO	mol2081	O=C(O)c1cccc(I)c1CO
1.5	Hunt	1	0	Cc1cc([NH3+])ccc1[N+](=O)[O-]	Cc1cc(N)ccc1[N+](=O)[O-]	mol2082	Cc1cc(N)ccc1[N+](=O)[O-]
9.84	Hunt	1	0	[NH3+]CCc1ccccc1	NCCc1ccccc1	mol2083	NCCc1ccccc1
9.99	Hunt	1	0	C[C@@H]([NH3+])CCCc1ccccc1	C[C@@H](N)CCCc1ccccc1	mol2084	C[C@@H](N)CCCc1ccccc1
10.44	Hunt	1	0	[NH3+]CCCCCc1ccccc1	NCCCCCc1ccccc1	mol2085	NCCCCCc1ccccc1
9.4	Hunt	1	0	C[C@@H]([NH3+])CCCc1ccc(O)cc1	C[C@@H]([NH3+])CCCc1ccc([O-])cc1,C[C@@H](N)CCCc1ccc(O)cc1	mol2086	C[C@@H](N)CCCc1ccc(O)cc1
9.94	Hunt	1	0	C[C@@H]([NH3+])Cc1ccccc1	C[C@@H](N)Cc1ccccc1	mol2087	C[C@@H](N)Cc1ccccc1
10.16	Hunt	1	0	[NH3+]CCCc1ccccc1	NCCCc1ccccc1	mol2088	NCCCc1ccccc1
9.67	Hunt	1	0	C[C@@H]([NH3+])Cc1ccc2c(c1)OCO2	C[C@@H](N)Cc1ccc2c(c1)OCO2	mol2089	C[C@@H](N)Cc1ccc2c(c1)OCO2
4.42	Hunt	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
9.2	Hunt	1	0	C[C@H]([C@@H](O)c1ccccc1)[NH+](C)C	C[C@H]([C@@H](O)c1ccccc1)N(C)C	mol2091	C[C@H]([C@@H](O)c1ccccc1)N(C)C
8.86	Hunt	1	0	C[NH2+]C[C@H](O)c1cccc(O)c1	C[NH2+]C[C@H](O)c1cccc([O-])c1,CNC[C@H](O)c1cccc(O)c1	mol2092	CNC[C@H](O)c1cccc(O)c1
4.66	Hunt	0	-1	Cc1ccccc1CCC(=O)O	Cc1ccccc1CCC(=O)[O-]	mol2093	Cc1ccccc1CCC(=O)O
7.29	Hunt	1	0	COc1ccccc1C(=[NH2+])c1ccccc1	[H]/N=C(\c1ccccc1)c1ccccc1OC,COc1ccccc1C(=N)c1ccccc1	mol2094	[H]/N=C(\c1ccccc1)c1ccccc1OC
4.68	Hunt	0	-1	Cc1cccc(CCC(=O)O)c1	Cc1cccc(CCC(=O)[O-])c1	mol2095	Cc1cccc(CCC(=O)O)c1
10.08	Hunt	1	0	C[NH2+]CCc1ccccc1	CNCCc1ccccc1	mol2096	CNCCc1ccccc1
7.5	Hunt	1	0	C[NH+](Cc1ccccc1)CC(c1ccccc1)c1ccccc1	CN(Cc1ccccc1)CC(c1ccccc1)c1ccccc1	mol2097	CN(Cc1ccccc1)CC(c1ccccc1)c1ccccc1
9.64	Hunt	1	0	CC[NH2+]Cc1ccccc1	CCNCc1ccccc1	mol2098	CCNCc1ccccc1
9.19	Hunt	1	0	Cc1ccccc1C[NH3+]	Cc1ccccc1CN	mol2099	Cc1ccccc1CN
8.55	Hunt	1	0	NCc1cccc(S([NH3+])(=O)=O)c1,NS(=O)(=O)c1cccc(C[NH3+])c1	NCc1cccc(S(N)(=O)=O)c1	mol2100	NCc1cccc(S(N)(=O)=O)c1
4.44	Hunt	0	-1	Cc1cccc(/C=C/C(=O)O)c1	Cc1cccc(/C=C/C(=O)[O-])c1	mol2101	Cc1cccc(/C=C/C(=O)O)c1
5.31	Hunt	1	0	[NH3+]c1ccc2c(c1)CCC2	Nc1ccc2c(c1)CCC2	mol2102	Nc1ccc2c(c1)CCC2
1.3	Hunt	1	0	Cc1cc(C)cc([NH2+][C@H]2CCc3ccccc32)c1	Cc1cc(C)cc(N[C@H]2CCc3ccccc32)c1	mol2103	Cc1cc(C)cc(N[C@H]2CCc3ccccc32)c1
3.4	Hunt	1	0	[NH3+]c1cc(Br)c2ccccc2c1	Nc1cc(Br)c2ccccc2c1	mol2104	Nc1cc(Br)c2ccccc2c1
3.34	Hunt	1	0	[NH3+]c1cccc2c(Cl)cccc12	Nc1cccc2c(Cl)cccc12	mol2105	Nc1cccc2c(Cl)cccc12
2.26	Hunt	1	0	N#Cc1cc([NH3+])c2ccccc2c1	N#Cc1cc(N)c2ccccc2c1	mol2106	N#Cc1cc(N)c2ccccc2c1
4.19	Hunt	1	0	COc1ccc2ccc([NH3+])cc2c1	COc1ccc2ccc(N)cc2c1	mol2107	COc1ccc2ccc(N)cc2c1
3.96	Hunt	1	0	Cc1cc([NH3+])c2ccccc2c1	Cc1cc(N)c2ccccc2c1	mol2108	Cc1cc(N)c2ccccc2c1
2.07	Hunt	1	0	[NH3+]c1cc([N+](=O)[O-])cc2ccccc12	Nc1cc([N+](=O)[O-])cc2ccccc12	mol2109	Nc1cc([N+](=O)[O-])cc2ccccc12
3.1	Hunt	1	0	[NH3+]c1ccc2ccc([N+](=O)[O-])cc2c1	Nc1ccc2ccc([N+](=O)[O-])cc2c1	mol2110	Nc1ccc2ccc([N+](=O)[O-])cc2c1
4.67	Hunt	1	0	Cc1ccccc1/C=C/c1ccc([NH+](C)C)cc1	Cc1ccccc1/C=C/c1ccc(N(C)C)cc1	mol2111	Cc1ccccc1/C=C/c1ccc(N(C)C)cc1
2.21	Hunt	0	-1	O=C(O)[C@@H](Br)c1ccccc1	O=C([O-])[C@@H](Br)c1ccccc1	mol2112	O=C(O)[C@@H](Br)c1ccccc1
11.3	Hunt	1	0	C1C[NH2+]C1	C1CNC1	mol173	C1CNC1
10.4	Hunt	1	0	C[NH+]1CCC1	CN1CCC1	mol2113	CN1CCC1
7.86	Hunt	1	0	CCCC[NH+]1CC1	CCCCN1CC1	mol2114	CCCCN1CC1
8.31	Hunt	1	0	CC[C@H]1C[NH2+]1	CC[C@H]1CN1	mol2115	CC[C@H]1CN1
8.75	Hunt	1	0	C[NH+]1CCCC(=O)CCC1	CN1CCCC(=O)CCC1	mol2116	CN1CCCC(=O)CCC1
9.22	Hunt	1	0	CC(C)(C#N)[NH+]1CCCCC1	CC(C)(C#N)N1CCCCC1	mol2117	CC(C)(C#N)N1CCCCC1
9.45	Hunt	1	0	O=C(CC[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1	O=C(CCN1CCCCC1)C(c1ccccc1)c1ccccc1	mol2118	O=C(CCN1CCCCC1)C(c1ccccc1)c1ccccc1
8.91	Hunt	1	0	c1ccc(C(CC[NH+]2CCCCC2)c2ccccc2)cc1	c1ccc(C(CCN2CCCCC2)c2ccccc2)cc1	mol2119	c1ccc(C(CCN2CCCCC2)c2ccccc2)cc1
8.81	Hunt	1	0	CCC(=O)C(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	CCC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1	mol2120	CCC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
8.53	Hunt	1	0	CCC(=O)C(C[C@H](C)[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	CCC(=O)C(C[C@H](C)N1CCCCC1)(c1ccccc1)c1ccccc1	mol2121	CCC(=O)C(C[C@H](C)N1CCCCC1)(c1ccccc1)c1ccccc1
10.5	Hunt	1	0	CCC[NH+]1CCCCC1	CCCN1CCCCC1	mol221	CCCN1CCCCC1
11.0	Hunt	1	0	c1c[nH+]cc([C@H]2CCCCN2)c1,c1cncc([C@H]2CCCC[NH2+]2)c1	c1cncc([C@H]2CCCCN2)c1	mol2122	c1cncc([C@H]2CCCCN2)c1
11.04	Hunt	1	0	C[C@H]1CC[NH2+]C(C)(C)C1	C[C@H]1CCNC(C)(C)C1	mol2123	C[C@H]1CCNC(C)(C)C1
11.21	Hunt	1	0	C[C@H]1CCCC(C)(C)[NH2+]1	C[C@H]1CCCC(C)(C)N1	mol2124	C[C@H]1CCCC(C)(C)N1
4.58	Hunt	0	-1	O=C(O)CCc1ccccc1Cl	O=C([O-])CCc1ccccc1Cl	mol2125	O=C(O)CCc1ccccc1Cl
9.26	Hunt	1	0	CN(C)CC[C@@H](c1ccc(Cl)cc1)c1cccc[nH+]1,C[NH+](C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1	CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1	mol2126	CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1
6.48	Hunt	1	0	Nc1ccc([NH3+])cn1,Nc1ccc(N)[nH+]c1,Nc1ccc([NH3+])nc1	Nc1ccc(N)nc1	mol2127	Nc1ccc(N)nc1
2.13	Hunt	2	1	Nc1ccc([NH3+])[nH+]c1,Nc1ccc([NH3+])c[nH+]1,[NH3+]c1ccc([NH3+])nc1	Nc1ccc([NH3+])cn1,Nc1ccc(N)[nH+]c1,Nc1ccc([NH3+])nc1	mol2127	Nc1ccc(N)nc1
4.41	Hunt	0	-1	O=C(O)/C=C/c1ccc(Cl)cc1	O=C([O-])/C=C/c1ccc(Cl)cc1	mol2128	O=C(O)/C=C/c1ccc(Cl)cc1
8.86	Hunt	1	0	C[NH+](C)CCc1cccnc1,CN(C)CCc1ccc[nH+]c1	CN(C)CCc1cccnc1	mol2129	CN(C)CCc1cccnc1
3.502	Hunt	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-]
8.81	Hunt	1	0	c1cncc(CC[NH+]2CCCCC2)c1,c1c[nH+]cc(CCN2CCCCC2)c1	c1cncc(CCN2CCCCC2)c1	mol2131	c1cncc(CCN2CCCCC2)c1
11.38	Hunt	1	0	CC1=CCCC[NH+]1C	CC1=CCCCN1C	mol2132	CC1=CCCCN1C
2.79	Hunt	0	-1	O=C([O-])c1ccc[n+](O)c1,O=C(O)c1ccc[n+]([O-])c1	O=C([O-])c1ccc[n+]([O-])c1	mol2133	O=C(O)c1ccc[n+]([O-])c1
4.804	Hunt	0	-1	COc1ccccc1CCC(=O)O	COc1ccccc1CCC(=O)[O-]	mol2134	COc1ccccc1CCC(=O)O
4.65	Hunt	0	-1	COc1cccc(CCC(=O)O)c1	COc1cccc(CCC(=O)[O-])c1	mol2135	COc1cccc(CCC(=O)O)c1
10.2	Hunt	1	0	CCCC[C@@H]1CCC[NH+]1C	CCCC[C@@H]1CCCN1C	mol2136	CCCC[C@@H]1CCCN1C
10.56	Hunt	1	0	CC[NH+]1CCC[C@H]1C	CCN1CCC[C@H]1C	mol2137	CCN1CCC[C@H]1C
9.95	Hunt	1	0	Cc1ccc([C@@H]2CCC[NH2+]2)cc1	Cc1ccc([C@@H]2CCCN2)cc1	mol2138	Cc1ccc([C@@H]2CCCN2)cc1
3.79	Hunt	0	-1	O=C(O)CSCCc1ccccc1	O=C([O-])CSCCc1ccccc1	mol2139	O=C(O)CSCCc1ccccc1
8.92	Hunt	1	0	[NH3+]C[C@H]1C=CCS1	NC[C@H]1C=CCS1	mol2140	NC[C@H]1C=CCS1
3.24	Hunt	0	-1	O=C(O)[C@H](O)c1cccc(Cl)c1	O=C([O-])[C@H](O)c1cccc(Cl)c1	mol2141	O=C(O)[C@H](O)c1cccc(Cl)c1
7.2	Hunt	1	0	c1ccc(C(CC[NH+]2CCOCC2)c2ccccc2)cc1	c1ccc(C(CCN2CCOCC2)c2ccccc2)cc1	mol2142	c1ccc(C(CCN2CCOCC2)c2ccccc2)cc1
7.4	Hunt	1	0	C[NH+]1CCOCC1	CN1CCOCC1	mol196	CN1CCOCC1
8.25	Hunt	0	-1	Oc1cnccn1,[O-]c1c[nH+]ccn1	[O-]c1cnccn1	mol2143	Oc1cnccn1
4.48	Hunt	0	-1	O=C(O)CCC(=O)c1cccc2ccccc12	O=C([O-])CCC(=O)c1cccc2ccccc12	mol2144	O=C(O)CCC(=O)c1cccc2ccccc12
6.6	Hunt	1	0	Cc1cc([NH3+])nc(Nc2ccc(Cl)cc2)n1,Cc1cc(N)nc([NH2+]c2ccc(Cl)cc2)n1,Cc1cc(N)[nH+]c(Nc2ccc(Cl)cc2)n1,Cc1cc(N)nc(Nc2ccc(Cl)cc2)[nH+]1	Cc1cc(N)nc(Nc2ccc(Cl)cc2)n1	mol2145	Cc1cc(N)nc(Nc2ccc(Cl)cc2)n1
4.29	Hunt	1	0	CCc1cnc([NH2+]C)nc1,CCc1cnc(NC)[nH+]c1	CCc1cnc(NC)nc1	mol2146	CCc1cnc(NC)nc1
9.9	Hunt	0	-1	Cc1ccnc(O)n1	Cc1ccnc([O-])n1	mol2147	Cc1ccnc(O)n1
10.32	Hunt	0	-1	Cc1ccc(O)cc1C	Cc1ccc([O-])cc1C	mol2148	Cc1ccc(O)cc1C
5.03	Hunt	1	0	Nc1cc2ccccc2c[nH+]1,[NH3+]c1cc2ccccc2cn1	Nc1cc2ccccc2cn1	mol2149	Nc1cc2ccccc2cn1
8.47	Hunt	0	-1	Oc1cccc2cnccc12,[O-]c1cccc2c[nH+]ccc12	[O-]c1cccc2cnccc12	mol2150	Oc1cccc2cnccc12
7.3	Hunt	1	0	[NH3+]c1ccc2ccccc2n1,Nc1ccc2ccccc2[nH+]1	Nc1ccc2ccccc2n1	mol2151	Nc1ccc2ccccc2n1
9.64	Hunt	0	-1	Oc1cccc(-c2ccccc2)c1	[O-]c1cccc(-c2ccccc2)c1	mol2152	Oc1cccc(-c2ccccc2)c1
8.08	Hunt	0	-1	Oc1cnc2ccccc2c1,[O-]c1c[nH+]c2ccccc2c1	[O-]c1cnc2ccccc2c1	mol2153	Oc1cnc2ccccc2c1
9.75	Hunt	0	-1	Cc1c[nH+]c2c([O-])cccc2c1,Cc1cnc2c(O)cccc2c1	Cc1cnc2c([O-])cccc2c1	mol2154	Cc1cnc2c(O)cccc2c1
9.08	Hunt	0	-1	[O-]c1c(C(F)(F)F)ccc2ccc[nH+]c12,Oc1c(C(F)(F)F)ccc2cccnc12	[O-]c1c(C(F)(F)F)ccc2cccnc12	mol2155	Oc1c(C(F)(F)F)ccc2cccnc12
8.88	Hunt	0	-1	Oc1cccc(I)c1	[O-]c1cccc(I)c1	mol2156	Oc1cccc(I)c1
11.99	Hunt	0	-1	Oc1nncc2ccccc12,[O-]c1n[nH+]cc2ccccc12	[O-]c1nncc2ccccc12	mol2157	Oc1nncc2ccccc12
7.39	Hunt	0	-1	[O-]c1ccc2cnc[nH+]c2c1,[O-]c1ccc2c[nH+]cnc2c1,Oc1ccc2cncnc2c1	[O-]c1ccc2cncnc2c1	mol2158	Oc1ccc2cncnc2c1
7.21	Hunt	0	-1	O=[N+]([O-])c1ccccc1O	O=[N+]([O-])c1ccccc1[O-]	mol2159	O=[N+]([O-])c1ccccc1O
8.38	Hunt	0	-1	O=[N+]([O-])c1cccc(O)c1	O=[N+]([O-])c1cccc([O-])c1	mol2160	O=[N+]([O-])c1cccc(O)c1
0.268	Hunt	0	-1	O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O	O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[O-]	mol2161	O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O
8.14	Hunt	1	0	CCO[P@@](C)(=O)OCC[NH+](C)C	CCO[P@@](C)(=O)OCCN(C)C	mol2162	CCO[P@@](C)(=O)OCCN(C)C
8.11	Hunt	1	0	[NH3+][C@@H]1C[C@H]1c1ccc(Cl)cc1	N[C@@H]1C[C@H]1c1ccc(Cl)cc1	mol2163	N[C@@H]1C[C@H]1c1ccc(Cl)cc1
8.32	Hunt	1	0	COc1ccc([C@@H]2C[C@H]2[NH3+])cc1	COc1ccc([C@@H]2C[C@H]2N)cc1	mol2164	COc1ccc([C@@H]2C[C@H]2N)cc1
4.5	Hunt	1	0	[NH3+]c1cc2c3c(cccc3c1)CC2	Nc1cc2c3c(cccc3c1)CC2	mol2165	Nc1cc2c3c(cccc3c1)CC2
4.18	Hunt	1	0	[NH3+]c1ccc(/C=C/c2ccccc2)cc1	Nc1ccc(/C=C/c2ccccc2)cc1	mol2166	Nc1ccc(/C=C/c2ccccc2)cc1
9.3	Hunt	1	0	C[NH+](C)CCCO	CN(C)CCCO	mol203	CN(C)CCCO
8.2	Hunt	1	0	C#CC(C)(C)[NH2+]C(C)(C)C=C	C#CC(C)(C)NC(C)(C)C=C	mol2167	C#CC(C)(C)NC(C)(C)C=C
7.28	Hunt	1	0	[NH3+]CC(Cl)=C(Cl)Cl	NCC(Cl)=C(Cl)Cl	mol2168	NCC(Cl)=C(Cl)Cl
10.8	Hunt	1	0	CC1=C(C)C(C)(C)[NH+](C)C1(C)C	CC1=C(C)C(C)(C)N(C)C1(C)C	mol2169	CC1=C(C)C(C)(C)N(C)C1(C)C
10.5	Hunt	1	0	CC1=C(C)C(C)(C)[NH2+]C1(C)C	CC1=C(C)C(C)(C)NC1(C)C	mol2170	CC1=C(C)C(C)(C)NC1(C)C
8.27	Hunt	1	0	CC(=O)SCC[NH+](C)C	CC(=O)SCCN(C)C	mol2171	CC(=O)SCCN(C)C
7.25	Hunt	1	0	[NH3+]CC(Cl)Cl	NCC(Cl)Cl	mol2172	NCC(Cl)Cl
4.8	Hunt	1	0	C[NH+](C)CC(F)(F)F	CN(C)CC(F)(F)F	mol220	CN(C)CC(F)(F)F
6.1	Hunt	1	0	C[NH2+]CC(F)(F)F	CNCC(F)(F)F	mol209	CNCC(F)(F)F
9.42	Hunt	1	0	CC(C)c1ccc([C@H](C)[NH3+])cc1	CC(C)c1ccc([C@H](C)N)cc1	mol2173	CC(C)c1ccc([C@H](C)N)cc1
9.45	Hunt	1	0	CCCc1ccc([C@H](C)[NH3+])cc1	CCCc1ccc([C@H](C)N)cc1	mol2174	CCCc1ccc([C@H](C)N)cc1
9.18	Hunt	1	0	COc1ccc([C@@H](O)C[NH3+])cc1OC	COc1ccc([C@@H](O)CN)cc1OC	mol2175	COc1ccc([C@@H](O)CN)cc1OC
9.034	Hunt	1	0	CCCC[NH2+]C[C@H](O)c1ccc(O)cc1	CCCCNC[C@H](O)c1ccc(O)cc1,CCCC[NH2+]C[C@H](O)c1ccc([O-])cc1	mol2176	CCCCNC[C@H](O)c1ccc(O)cc1
9.43	Hunt	1	0	CCOC(=O)c1ccc([C@@H](O)C[NH2+]C(C)C)cc1	CCOC(=O)c1ccc([C@@H](O)CNC(C)C)cc1	mol2177	CCOC(=O)c1ccc([C@@H](O)CNC(C)C)cc1
9.41	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccccc1F	CC(C)NC[C@H](O)c1ccccc1F	mol2178	CC(C)NC[C@H](O)c1ccccc1F
9.36	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1cccc(I)c1	CC(C)NC[C@H](O)c1cccc(I)c1	mol2179	CC(C)NC[C@H](O)c1cccc(I)c1
9.34	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1	CC(C)NC[C@H](O)c1ccc(C(F)(F)F)cc1	mol2180	CC(C)NC[C@H](O)c1ccc(C(F)(F)F)cc1
9.51	Hunt	1	0	C[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1	CNC[C@H](O)c1ccc(OC)c(OC)c1	mol2181	CNC[C@H](O)c1ccc(OC)c(OC)c1
8.52	Hunt	1	0	c1ccc(C[NH2+]Cc2ccccc2)cc1	c1ccc(CNCc2ccccc2)cc1	mol2182	c1ccc(CNCc2ccccc2)cc1
-5.46	Hunt	1	0	O=[N+]([O-])c1ccc([NH2+]Cc2cccc(F)c2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(NCc2cccc(F)c2)c([N+](=O)[O-])c1	mol2183	O=[N+]([O-])c1ccc(NCc2cccc(F)c2)c([N+](=O)[O-])c1
7.6	Hunt	1	0	CCOc1ccc(C[NH+](CCO)CCO)cc1	CCOc1ccc(CN(CCO)CCO)cc1	mol2184	CCOc1ccc(CN(CCO)CCO)cc1
8.65	Hunt	1	0	[NH3+]Cc1cccc([N+](=O)[O-])c1	NCc1cccc([N+](=O)[O-])c1	mol2185	NCc1cccc([N+](=O)[O-])c1
4.83	Hunt	1	0	Cc1c([NH3+])ccc2c1-c1ccccc1C2	Cc1c(N)ccc2c1-c1ccccc1C2	mol2186	Cc1c(N)ccc2c1-c1ccccc1C2
7.62	Hunt	1	0	COc1ccnc([NH3+])c1,COc1cc[nH+]c(N)c1	COc1ccnc(N)c1	mol2187	COc1ccnc(N)c1
4.17	Hunt	0	-1	Cc1nc(C(=O)O)c(C)o1,Cc1[nH+]c(C(=O)[O-])c(C)o1	Cc1nc(C(=O)[O-])c(C)o1	mol2188	Cc1nc(C(=O)O)c(C)o1
3.59	Hunt	0	-1	Cc1nc(C(=O)O)co1,Cc1[nH+]c(C(=O)[O-])co1	Cc1nc(C(=O)[O-])co1	mol2189	Cc1nc(C(=O)O)co1
2.88	Hunt	0	-1	Cc1ncoc1C(=O)O,Cc1[nH+]coc1C(=O)[O-]	Cc1ncoc1C(=O)[O-]	mol2190	Cc1ncoc1C(=O)O
10.74	Hunt	0	-1	C=CCc1c(C)nc(O)nc1C	C=CCc1c(C)nc([O-])nc1C	mol2191	C=CCc1c(C)nc(O)nc1C
2.61	Hunt	1	0	Cc1[nH+]c(N)ncc1Br,Cc1nc([NH3+])ncc1Br,Cc1nc(N)[nH+]cc1Br	Cc1nc(N)ncc1Br	mol2192	Cc1nc(N)ncc1Br
3.25	Hunt	1	0	Nc1ncc(-c2ccc(F)cc2)c[nH+]1,[NH3+]c1ncc(-c2ccc(F)cc2)cn1	Nc1ncc(-c2ccc(F)cc2)cn1	mol2193	Nc1ncc(-c2ccc(F)cc2)cn1
9.12	Hunt	0	-1	CSc1[nH+]cnc([O-])c1C,CSc1ncnc(O)c1C	CSc1ncnc([O-])c1C	mol2194	CSc1ncnc(O)c1C
8.74	Hunt	0	-1	Cc1ccc(-c2cnc(O)nc2)cc1	Cc1ccc(-c2cnc([O-])nc2)cc1	mol2195	Cc1ccc(-c2cnc(O)nc2)cc1
5.231	Hunt	1	0	CCC1=[NH+]C[C@H](C)S1	CCC1=NC[C@H](C)S1	mol2196	CCC1=NC[C@H](C)S1
5.39	Hunt	1	0	CC1=[NH+]C(C)(C)CS1	CC1=NC(C)(C)CS1	mol2197	CC1=NC(C)(C)CS1
4.28	Hunt	0	-1	CC(C)c1cc(O)c(=O)c(Br)cc1Br	CC(C)c1cc([O-])c(=O)c(Br)cc1Br	mol2198	CC(C)c1cc(O)c(=O)c(Br)cc1Br
6.0	Hunt	0	-1	CC(C)c1c(Br)cc(Br)c(=O)c(O)c1Br	CC(C)c1c(Br)cc(Br)c(=O)c([O-])c1Br	mol2199	CC(C)c1c(Br)cc(Br)c(=O)c(O)c1Br
9.9	Hunt	1	0	COC(=O)[C@H]1C[C@H](C)[NH2+][C@@H]2CCCC[C@H]12	COC(=O)[C@H]1C[C@H](C)N[C@@H]2CCCC[C@H]12	mol2200	COC(=O)[C@H]1C[C@H](C)N[C@@H]2CCCC[C@H]12
10.91	Hunt	1	0	C[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1	C[C@H]1CC[C@@H]2CCCC[C@H]2N1	mol2201	C[C@H]1CC[C@@H]2CCCC[C@H]2N1
9.1	Hunt	1	0	C[C@H](C[NH+]1c2ccccc2Sc2ccccc21)N(C)C,C[C@H](CN1c2ccccc2Sc2ccccc21)[NH+](C)C	C[C@H](CN1c2ccccc2Sc2ccccc21)N(C)C	mol2202	C[C@H](CN1c2ccccc2Sc2ccccc21)N(C)C
11.8	Hunt	0	-1	CCOc1ccc(NC(C)=O)cc1	CCOc1ccc([N-]C(C)=O)cc1	mol2203	CCOc1ccc(NC(C)=O)cc1
-1.05	Hunt	1	0	[NH3+]c1ccc(Br)cc1[N+](=O)[O-]	Nc1ccc(Br)cc1[N+](=O)[O-]	mol2204	Nc1ccc(Br)cc1[N+](=O)[O-]
-1.48	Hunt	1	0	[NH3+]c1cc(Br)ccc1[N+](=O)[O-]	Nc1cc(Br)ccc1[N+](=O)[O-]	mol2205	Nc1cc(Br)ccc1[N+](=O)[O-]
0.26	Hunt	1	0	[NH3+]c1ccc([N+](=O)[O-])c(Cl)c1	Nc1ccc([N+](=O)[O-])c(Cl)c1	mol2206	Nc1ccc([N+](=O)[O-])c(Cl)c1
2.368	Hunt	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
5.09	Hunt	1	0	CCOC(=O)COc1ccc([NH3+])cc1	CCOC(=O)COc1ccc(N)cc1	mol2208	CCOC(=O)COc1ccc(N)cc1
-0.11	Hunt	1	0	CCOC(=O)c1cc([NH3+])ccc1[N+](=O)[O-]	CCOC(=O)c1cc(N)ccc1[N+](=O)[O-]	mol2209	CCOC(=O)c1cc(N)ccc1[N+](=O)[O-]
5.25	Hunt	1	0	CC[NH2+]c1cccc(C)c1	CCNc1cccc(C)c1	mol2210	CCNc1cccc(C)c1
2.77	Hunt	2	1	CC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol2211	CCN(CC[N+]1(C)CCCCC1)c1ccccc1
-0.21	Hunt	1	0	CC[NH2+]c1ccccc1[N+](=O)[O-]	CCNc1ccccc1[N+](=O)[O-]	mol2212	CCNc1ccccc1[N+](=O)[O-]
0.94	Hunt	1	0	CC[NH2+]c1ccc([N+](=O)[O-])cc1	CCNc1ccc([N+](=O)[O-])cc1	mol2213	CCNc1ccc([N+](=O)[O-])cc1
4.0	Hunt	1	0	CCSc1ccc([NH3+])cc1	CCSc1ccc(N)cc1	mol2214	CCSc1ccc(N)cc1
1.09	Hunt	1	0	[NH3+]c1cc([N+](=O)[O-])ccc1F	Nc1cc([N+](=O)[O-])ccc1F	mol2215	Nc1cc([N+](=O)[O-])ccc1F
1.36	Hunt	1	0	[NH3+]c1ccccc1C=O	Nc1ccccc1C=O	mol2216	Nc1ccccc1C=O
0.09	Hunt	1	0	CC(C)[NH2+]c1ccccc1[N+](=O)[O-]	CC(C)Nc1ccccc1[N+](=O)[O-]	mol2217	CC(C)Nc1ccccc1[N+](=O)[O-]
-0.62	Hunt	1	0	C[NH2+]c1ccccc1[N+](=O)[O-]	CNc1ccccc1[N+](=O)[O-]	mol2218	CNc1ccccc1[N+](=O)[O-]
0.33	Hunt	1	0	CS(=O)(=O)c1ccccc1[NH3+]	CS(=O)(=O)c1ccccc1N	mol2219	CS(=O)(=O)c1ccccc1N
3.24	Hunt	1	0	[NH3+]c1cccc(OC(F)(F)C(F)(F)F)c1	Nc1cccc(OC(F)(F)C(F)(F)F)c1	mol2220	Nc1cccc(OC(F)(F)C(F)(F)F)c1
3.8	Hunt	1	0	[NH3+]c1ccc(Sc2ccccc2)cc1	Nc1ccc(Sc2ccccc2)cc1	mol2221	Nc1ccc(Sc2ccccc2)cc1
5.28	Hunt	1	0	Cc1ccc([NH+](C)C)c(C)c1	Cc1ccc(N(C)C)c(C)c1	mol2222	Cc1ccc(N(C)C)c(C)c1
-0.01	Hunt	1	0	[NH3+]c1ccc(S(=O)(=O)C(F)(F)F)cc1	Nc1ccc(S(=O)(=O)C(F)(F)F)cc1	mol2223	Nc1ccc(S(=O)(=O)C(F)(F)F)cc1
7.24	Hunt	1	0	Cc1ccc[nH+]c1N,Cc1cccnc1[NH3+]	Cc1cccnc1N	mol2224	Cc1cccnc1N
4.24	Hunt	0	-1	CC(C)(C)[P@@H](=O)O	CC(C)(C)[P@@H](=O)[O-]	mol2225	CC(C)(C)[P@@H](=O)O
2.46	Hunt	0	-1	N#CC(=O)O	N#CC(=O)[O-]	mol2226	N#CC(=O)O
4.48	Hunt	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
8.0	Hunt	1	0	CCOCC[NH3+]	CCOCCN	mol2228	CCOCCN
10.11	Hunt	0	-1	CCOc1ccccc1O	CCOc1ccccc1[O-]	mol2229	CCOc1ccccc1O
3.382	Hunt	0	-1	OC(=S)CCCCC(O)=S	[O-]C(=S)CCCCC(O)=S	mol2230	OC(=S)CCCCC(O)=S
4.352	Hunt	0	-1	OC(=S)CCCCC(O)=S	[O-]C(=S)CCCCC(O)=S	mol2230	OC(=S)CCCCC(O)=S
9.0	Hunt	0	-1	O=Cc1cccc(O)c1	O=Cc1cccc([O-])c1	mol2232	O=Cc1cccc(O)c1
3.68	Hunt	0	-1	CC[C@@H](O)C(=O)O	CC[C@@H](O)C(=O)[O-]	mol2233	CC[C@@H](O)C(=O)O
10.5	Hunt	0	-1	CCCc1ccccc1O	CCCc1ccccc1[O-]	mol2234	CCCc1ccccc1O
10.32	Hunt	0	-1	Oc1cccc2c1CCC2	[O-]c1cccc2c1CCC2	mol2235	Oc1cccc2c1CCC2
3.53	Hunt	0	-1	CC[C@H](S)C(=O)O	CC[C@H]([S-])C(=O)O,CC[C@H](S)C(=O)[O-]	mol2236	CC[C@H](S)C(=O)O
3.52	Hunt	0	-1	O=C(O)[C@@H](O)CO	O=C([O-])[C@@H](O)CO	mol2237	O=C(O)[C@@H](O)CO
2.35	Hunt	0	-1	COc1ccc([P@@H](=O)O)cc1	COc1ccc([P@@H](=O)[O-])cc1	mol2238	COc1ccc([P@@H](=O)O)cc1
9.15	Hunt	1	0	CNCc1cccc(C)[nH+]1,C[NH2+]Cc1cccc(C)n1	CNCc1cccc(C)n1	mol2239	CNCc1cccc(C)n1
3.46	Hunt	0	-1	CCC[P@@H](=O)O	CCC[P@@H](=O)[O-]	mol2240	CCC[P@@H](=O)O
3.83	Hunt	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
1.1	Hunt	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
9.61	Hunt	1	0	COCC[NH3+]	COCCN	mol2243	COCCN
8.63	Hunt	0	-1	[O-]c1cc[nH+]cn1,Oc1ccncn1	[O-]c1ccncn1	mol2244	Oc1ccncn1
5.47	Hunt	1	0	[NH3+]CC(Cl)(Cl)Cl	NCC(Cl)(Cl)Cl	mol2245	NCC(Cl)(Cl)Cl
4.54	Hunt	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
8.26	Hunt	1	0	CCC(=O)O[C@H](C)C[NH+](C)C	CCC(=O)O[C@H](C)CN(C)C	mol2247	CCC(=O)O[C@H](C)CN(C)C
8.33	Hunt	0	-1	Cc1nc2ccncc2nc1O,Cc1[nH+]c2ccncc2nc1[O-],Cc1nc2cc[nH+]cc2nc1[O-]	Cc1nc2ccncc2nc1[O-]	mol2248	Cc1nc2ccncc2nc1O
8.72	Hunt	0	-1	[O-]c1ccc[nH+]c1,Oc1cccnc1	[O-]c1cccnc1	mol2249	Oc1cccnc1
9.75	Hunt	0	-1	Oc1cccc2cc3ccccc3nc12,[O-]c1cccc2cc3ccccc3[nH+]c12	[O-]c1cccc2cc3ccccc3nc12	mol2250	Oc1cccc2cc3ccccc3nc12
9.47	Hunt	1	0	COc1ccc(C[NH3+])cc1	COc1ccc(CN)cc1	mol2251	COc1ccc(CN)cc1
8.08	Hunt	1	0	[NH3+]C(CO)(CO)CO	NC(CO)(CO)CO	mol2252	NC(CO)(CO)CO
9.57	Hunt	0	-1	CC(C)NC[C@H](O)c1ccc(O)cc1,CC(C)[NH2+]C[C@H](O)c1ccc([O-])cc1	CC(C)NC[C@H](O)c1ccc([O-])cc1	mol2253	CC(C)NC[C@H](O)c1ccc(O)cc1
7.83	Hunt	1	0	OCC[NH2+]C(CO)(CO)CO	OCCNC(CO)(CO)CO	mol2254	OCCNC(CO)(CO)CO
9.53	Hunt	0	-1	CSc1ccc(O)cc1	CSc1ccc([O-])cc1	mol2255	CSc1ccc(O)cc1
4.29	Hunt	0	-1	C/C=C(/C)C(=O)O	C/C=C(/C)C(=O)[O-]	mol2256	C/C=C(/C)C(=O)O
4.66	Hunt	0	-1	COC(=O)C(CCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCC(=O)[O-])(c1ccccc1)c1ccccc1	mol2257	COC(=O)C(CCC(=O)O)(c1ccccc1)c1ccccc1
4.31	Hunt	0	-1	O=C(O)Cc1ccccc1	O=C([O-])Cc1ccccc1	mol2258	O=C(O)Cc1ccccc1
3.98	Hunt	0	-1	O=C(O)c1ccccc1	O=C([O-])c1ccccc1	mol32	O=C(O)c1ccccc1
4.874	Hunt	0	-1	CCC(=O)O	CCC(=O)[O-]	mol2259	CCC(=O)O
8.91	Hunt	1	0	C[NH+](C)Cc1ccccc1	CN(C)Cc1ccccc1	mol2260	CN(C)Cc1ccccc1
3.84	Hunt	0	-1	CCOCC(=O)O	CCOCC(=O)[O-]	mol2261	CCOCC(=O)O
12.24	Hunt	0	-1	OCC(Cl)(Cl)Cl	[O-]CC(Cl)(Cl)Cl	mol2262	OCC(Cl)(Cl)Cl
1.5	Hunt	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
2.85	Hunt	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
14.16	Hunt	0	-1	CC#CCO	CC#CC[O-]	mol2265	CC#CCO
12.74	Hunt	0	-1	OCCC(F)F	[O-]CCC(F)F	mol2266	OCCC(F)F
4.6	Hunt	0	-1	O=[N+]([O-])c1ccc(S)cc1	O=[N+]([O-])c1ccc([S-])cc1	mol2267	O=[N+]([O-])c1ccc(S)cc1
10.66	Hunt	0	-1	CCCCS	CCCC[S-]	mol2268	CCCCS
5.25	Hunt	0	-1	Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1	Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)[N-]C(=O)NC3CCCCC3)cc2)cn1	mol2269	Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1
7.52	Hunt	1	0	Clc1ccc2ns[nH+]c2c1NC1=NCCN1,Clc1ccc2[nH+]snc2c1NC1=NCCN1,Clc1ccc2nsnc2c1NC1=[NH+]CCN1	Clc1ccc2nsnc2c1NC1=NCCN1	mol2270	Clc1ccc2nsnc2c1NC1=NCCN1
7.9	Hunt	1	0	CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C	CCCN[C@@H](C)C(=O)Nc1ccccc1C	mol2271	CCCN[C@@H](C)C(=O)Nc1ccccc1C
4.29	Hunt	1	0	CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2[nH]nn[nH+]2)cc1,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2n[nH+]n[nH]2)cc1,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH+][nH]2)cc1,CCCc1[nH+]c(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1	CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1	mol2272	CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
6.05	Hunt	0	-1	CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1	CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	mol2272	CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
9.66	Hunt	1	0	Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,Cc1n[nH+]c(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,Cc1[nH+]nc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1	Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1	mol2273	Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
11.0	Hunt	0	-1	C[C@H]1CN=C(N)c2sccc2O1	C[C@H]1CN=C([NH-])c2sccc2O1	mol2274	C[C@H]1CN=C(N)c2sccc2O1
4.4	Hunt	1	0	CCc1cc(C(N)=S)cc[nH+]1	CCc1cc(C(N)=S)ccn1	mol2275	CCc1cc(C(N)=S)ccn1
3.45	Hunt	0	-1	C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-],C[C@H](C[S-])C(=O)N1CCC[C@H]1C(=O)O	mol2276	C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
9.86	Hunt	1	0	C[NH2+][C@@H](C)[C@@H](O)c1ccccc1	CN[C@@H](C)[C@@H](O)c1ccccc1	mol2277	CN[C@@H](C)[C@@H](O)c1ccccc1
10.5	Hunt	0	-1	N[C@@H]1CCc2c(ccc(O)c2O)C1,[NH3+][C@@H]1CCc2c(ccc([O-])c2O)C1,[NH3+][C@@H]1CCc2c(ccc(O)c2[O-])C1	N[C@@H]1CCc2c(ccc([O-])c2O)C1,N[C@@H]1CCc2c(ccc(O)c2[O-])C1,[NH3+][C@@H]1CCc2c(ccc([O-])c2[O-])C1	mol2278	N[C@@H]1CCc2c(ccc(O)c2O)C1
8.9	Hunt	1	0	[NH3+][C@@H]1CCc2c(ccc(O)c2O)C1	N[C@@H]1CCc2c(ccc(O)c2O)C1,[NH3+][C@@H]1CCc2c(ccc([O-])c2O)C1,[NH3+][C@@H]1CCc2c(ccc(O)c2[O-])C1	mol2278	N[C@@H]1CCc2c(ccc(O)c2O)C1
3.1	Hunt	1	0	Cc1cc(C[NH+]2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O	Cc1cc(C[NH+]2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-],Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O	mol2279	Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O
6.2	Hunt	0	-1	Cc1cc(C[NH+]2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-],Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O	Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-]	mol2279	Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O
10.47	Hunt	1	0	CCOC(=O)N1CCC2(CC1)N=C(N)c1sccc1[NH2+]2,CCOC(=O)N1CCC2(CC1)Nc1ccsc1C(N)=[NH+]2	CCOC(=O)N1CCC2(CC1)N=C(N)c1sccc1N2	mol2280	CCOC(=O)N1CCC2(CC1)N=C(N)c1sccc1N2
9.83	Hunt	1	0	NC1=N[C@H](c2ccccc2)[NH2+]c2ccccc21,NC1=[NH+][C@H](c2ccccc2)Nc2ccccc21	NC1=N[C@H](c2ccccc2)Nc2ccccc21	mol2281	NC1=N[C@H](c2ccccc2)Nc2ccccc21
3.1	Hunt	0	-1	C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	C[C@@H](C(=O)[N-]S(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	mol2282	C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
5.3	Hunt	0	-1	CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)cc1	CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)cc1	mol2283	CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)cc1
7.17	Hunt	0	-1	CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3n[nH+]c(-c4ccccc4SCCO)n3c2)n(-c2ccc([O-])c(Cl)c2)n1,CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc(O)c(Cl)c2)n1,CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc([O-])c(Cl)c2)[nH+]1,CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3[nH+]nc(-c4ccccc4SCCO)n3c2)n(-c2ccc([O-])c(Cl)c2)n1	CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc([O-])c(Cl)c2)n1	mol2284	CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc(O)c(Cl)c2)n1
7.3	Hunt	1	0	CC[C@H]([NH3+])C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1	CC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1	mol2285	CC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1
7.93	Hunt	1	0	COc1cc2nc(-c3ccc([NH+]4CCN(C)CC4)cc3)nc(NCCN3CCOCC3)c2cc1OC,COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCC[NH+]3CCOCC3)c2cc1OC,COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH+]c(NCCN3CCOCC3)c2cc1OC,COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc([NH2+]CCN3CCOCC3)c2cc1OC,COc1cc2[nH+]c(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCN3CCOCC3)c2cc1OC,COc1cc2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)nc(NCCN3CCOCC3)c2cc1OC	COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCN3CCOCC3)c2cc1OC	mol2286	COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCN3CCOCC3)c2cc1OC
9.25	Hunt	0	-1	O=C([O-])[C@H](Cc1ccccc1)[NH+]1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C(O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C([O-])[C@H](Cc1ccccc1)N1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C([O-])[C@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol2287	O=C(O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
3.1	Hunt	2	1	O=C(O)[C@H](Cc1ccccc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C(O)[C@H](Cc1ccccc1)[NH+]1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C(O)[C@H](Cc1ccccc1)N1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,O=C([O-])[C@H](Cc1ccccc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol2287	O=C(O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
8.2	Hunt	0	-1	O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol2288	O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
2.5	Hunt	2	1	O=S(=O)(NC(=[OH+])N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccc(Cl)cc1	O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	mol2288	O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
7.7	Hunt	1	0	O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F	mol2289	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F
8.3	Hunt	1	0	O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F	mol2289	O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F
5.5	Hunt	1	0	CCc1[nH]c2nc(C)cc(C)c2[nH+]1,CCc1nc2c(C)cc(C)[nH+]c2[nH]1	CCc1nc2c(C)cc(C)nc2[nH]1	mol2290	CCc1nc2c(C)cc(C)nc2[nH]1
10.1	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(CC2CC[NH2+]CC2)ccc1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(CC2CCNCC2)ccc1Cl	mol2291	O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CC2CCNCC2)ccc1Cl
6.2	Hunt	1	0	O=C(c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1	O=C(c1ccccc1)N1CCN(Cc2ccccc2)CC1	mol2292	O=C(c1ccccc1)N1CCN(Cc2ccccc2)CC1
5.9	Hunt	0	-1	N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(N)(=O)=O)c2c1	N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)[N-]S(N)(=O)=O)c2c1,N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS([NH-])(=O)=O)c2c1,N#Cc1ccc2[n-]c(-c3ccc(F)cc3)c(CCCC(=O)NS(N)(=O)=O)c2c1	mol2293	N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(N)(=O)=O)c2c1
9.45	Hunt	1	0	CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12	CC(C)NC[C@@H](O)COc1cccc2ccccc12	mol2294	CC(C)NC[C@@H](O)COc1cccc2ccccc12
4.4	Hunt	2	1	c1ccc(CSc2[nH]c3ccccc3[nH+]2)[nH+]c1	c1ccc(CSc2[nH]c3ccccc3[nH+]2)nc1,c1ccc(CSc2nc3ccccc3[nH]2)[nH+]c1	mol2295	c1ccc(CSc2nc3ccccc3[nH]2)nc1
7.8	Hunt	1	0	CCc1[nH]cc[nH+]1	CCc1ncc[nH]1	mol2296	CCc1ncc[nH]1
6.8	Hunt	0	-1	CCOC(=O)N1CCC(c2cc(=O)n(-c3ccccc3)[nH]2)CC1	CCOC(=O)N1CCC(c2cc(=O)n(-c3ccccc3)[n-]2)CC1	mol2297	CCOC(=O)N1CCC(c2cc(=O)n(-c3ccccc3)[nH]2)CC1
8.2	Hunt	1	0	NC1=[NH+][C@H](c2ccco2)Nc2c(F)ccc(F)c21,NC1=N[C@H](c2ccco2)[NH2+]c2c(F)ccc(F)c21	NC1=N[C@H](c2ccco2)Nc2c(F)ccc(F)c21	mol2298	NC1=N[C@H](c2ccco2)Nc2c(F)ccc(F)c21
5.5	Hunt	0	-1	CN(C)S(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12	CN(C)S(=O)(=O)[N-]C(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12,CN(C)S(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[n-]c2ccc(C#N)cc12	mol2299	CN(C)S(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12
5.98	Hunt	0	-1	Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2)cc1	Cc1ccc(S(=O)(=O)[N-]C(=O)NN2C[C@H]3CCC[C@H]3C2)cc1	mol2300	Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2)cc1
9.3	Hunt	1	0	C[NH+]1CCO[C@@H](c2ccccc2)c2ccccc2C1	CN1CCO[C@@H](c2ccccc2)c2ccccc2C1	mol2301	CN1CCO[C@@H](c2ccccc2)c2ccccc2C1
5.6	Hunt	1	0	Cc1[nH+]c2c(OCc3ccccc3)cccn2c1CC#N	Cc1nc2c(OCc3ccccc3)cccn2c1CC#N	mol2302	Cc1nc2c(OCc3ccccc3)cccn2c1CC#N
4.69	Hunt	0	-1	CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1	CCCNC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	mol2303	CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
9.69	Hunt	1	0	C=CCOc1ccccc1OC[C@H](O)C[NH2+]C(C)C	C=CCOc1ccccc1OC[C@H](O)CNC(C)C	mol2304	C=CCOc1ccccc1OC[C@H](O)CNC(C)C
4.1	Hunt	0	-1	O=C(O)c1ccc(-c2ccc(Cl)c(C(=O)NC[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2)cc1	O=C([O-])c1ccc(-c2ccc(Cl)c(C(=O)NC[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2)cc1	mol2305	O=C(O)c1ccc(-c2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)cc1
3.96	Hunt	0	-1	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1	C[C@H](C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1	mol2306	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
10.5	Hunt	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
8.4	Hunt	1	0	CC[NH+](CC)CCOC(=O)C1(c2ccccc2)CCCC1	CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1	mol2307	CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1
4.15	Hunt	0	-1	CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3	CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[O-])OCC3,CCc1cccc2c3c([n-]c12)[C@](CC)(CC(=O)O)OCC3	mol2308	CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3
9.64	Hunt	1	0	COc1ccc([C@H](C[NH+](C)C)C2(O)CCCCC2)cc1	COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1	mol2309	COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1
8.21	Hunt	1	0	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](C)C2	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2	mol138	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
10.7	Hunt	1	0	c1ccc(CC2=[NH+]CCN2)cc1	c1ccc(CC2=NCCN2)cc1	mol2310	c1ccc(CC2=NCCN2)cc1
10.69	Hunt	0	-1	SC1CCCCC1	[S-]C1CCCCC1	mol2311	SC1CCCCC1
1.74	Hunt	0	-1	CC(Cl)(Cl)C(=O)O	CC(Cl)(Cl)C(=O)[O-]	mol2312	CC(Cl)(Cl)C(=O)O
1.97	Hunt	0	-1	COc1c(Cl)ccc(Cl)c1C(=O)O	COc1c(Cl)ccc(Cl)c1C(=O)[O-]	mol2313	COc1c(Cl)ccc(Cl)c1C(=O)O
9.1	Hunt	1	0	C[NH+](C)CCOC(c1ccccc1)c1ccccc1	CN(C)CCOC(c1ccccc1)c1ccccc1	mol87	CN(C)CCOC(c1ccccc1)c1ccccc1
2.83	Hunt	0	-1	CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]	CS(=O)(=O)[N-]C(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]	mol2314	CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
4.6	Hunt	0	-1	COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(NC=O)ccc2C(=O)N(C)C)n1	COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2cc(NC=O)ccc2C(=O)N(C)C)n1	mol2315	COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(NC=O)ccc2C(=O)N(C)C)n1
14.03	Hunt	0	-1	N#CCCO	N#CCC[O-]	mol2316	N#CCCO
4.5	Hunt	0	-1	Cc1cc(Cl)ccc1OCCCC(=O)O	Cc1cc(Cl)ccc1OCCCC(=O)[O-]	mol2317	Cc1cc(Cl)ccc1OCCCC(=O)O
2.77	Hunt	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-]	mol2318	COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
8.1	Hunt	0	-1	C[C@@H]1COc2c([NH+]3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23,C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	mol2319	C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
6.08	Hunt	1	0	C[C@@H]1COc2c([NH+]3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,C[C@@H]1COc2c([NH+]3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23,C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	C[C@@H]1COc2c([NH+]3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23,C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	mol2319	C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
9.63	Hunt	0	-1	CC(=O)Nc1ccc(O)cc1	CC(=O)Nc1ccc([O-])cc1	mol2320	CC(=O)Nc1ccc(O)cc1
9.59	Hunt	0	-1	O=C(NO)c1ccc(Cl)cc1	O=C(N[O-])c1ccc(Cl)cc1	mol2321	O=C(NO)c1ccc(Cl)cc1
9.55	Hunt	0	-1	Cc1cc(O)ccc1Cl	Cc1cc([O-])ccc1Cl	mol2322	Cc1cc(O)ccc1Cl
8.9	Hunt	1	0	C[C@@H]1CCCC[NH+]1CCCOC(=O)c1ccc(Cl)c(Cl)c1	C[C@@H]1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1	mol2323	C[C@@H]1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1
9.0	Hunt	0	-1	COc1ccc(C(=O)NO)cc1	COc1ccc(C(=O)N[O-])cc1	mol2324	COc1ccc(C(=O)NO)cc1
8.01	Hunt	0	-1	O=C(NO)c1ccc([N+](=O)[O-])cc1	O=C(N[O-])c1ccc([N+](=O)[O-])cc1	mol2325	O=C(NO)c1ccc([N+](=O)[O-])cc1
3.47	Hunt	0	-1	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1	COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1	mol2326	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1
6.79	Hunt	0	-1	Oc1c(Cl)cccc1Cl	[O-]c1c(Cl)cccc1Cl	mol2327	Oc1c(Cl)cccc1Cl
8.18	Hunt	0	-1	Oc1cc(Cl)cc(Cl)c1	[O-]c1cc(Cl)cc(Cl)c1	mol2328	Oc1cc(Cl)cc(Cl)c1
6.05	Hunt	0	-1	O=[N+]([O-])c1ccc(Cl)cc1O	O=[N+]([O-])c1ccc(Cl)cc1[O-]	mol2329	O=[N+]([O-])c1ccc(Cl)cc1O
7.19	Hunt	0	-1	Cc1cc(Cl)c(O)c(Cl)c1	Cc1cc(Cl)c([O-])c(Cl)c1	mol2330	Cc1cc(Cl)c(O)c(Cl)c1
7.33	Hunt	0	-1	COc1ccc(O)c([N+](=O)[O-])c1	COc1ccc([O-])c([N+](=O)[O-])c1	mol2331	COc1ccc(O)c([N+](=O)[O-])c1
3.95	Hunt	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
9.8	Hunt	0	-1	COC(=O)c1ccccc1O	COC(=O)c1ccccc1[O-]	mol2333	COC(=O)c1ccccc1O
4.21	Hunt	0	-1	O=C(O)CCC(=O)O	O=C([O-])CCC(=O)O	mol2334	O=C(O)CCC(=O)O
5.64	Hunt	-1	-2	O=C([O-])CCC(=O)O	O=C([O-])CCC(=O)[O-]	mol2334	O=C(O)CCC(=O)O
4.13	Hunt	0	-1	O=C(O)Cc1cccc(F)c1	O=C([O-])Cc1cccc(F)c1	mol2335	O=C(O)Cc1cccc(F)c1
10.03	Hunt	0	-1	NC1(C(=O)O)CCCCC1,[NH3+]C1(C(=O)[O-])CCCCC1	NC1(C(=O)[O-])CCCCC1	mol2336	NC1(C(=O)O)CCCCC1
2.66	Hunt	1	0	[NH3+]C1(C(=O)O)CCCCC1	NC1(C(=O)O)CCCCC1,[NH3+]C1(C(=O)[O-])CCCCC1	mol2336	NC1(C(=O)O)CCCCC1
3.69	Hunt	0	-1	COC(=O)C[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1	COC(=O)C[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	mol2337	COC(=O)C[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1
6.8	Hunt	1	0	COC(=O)c1cc(O)c(O)c(O)c1C[NH+](C)C	COC(=O)c1cc(O)c(O)c([O-])c1C[NH+](C)C,COC(=O)c1cc([O-])c(O)c(O)c1C[NH+](C)C,COC(=O)c1cc(O)c([O-])c(O)c1C[NH+](C)C,COC(=O)c1cc(O)c(O)c(O)c1CN(C)C	mol2338	COC(=O)c1cc(O)c(O)c(O)c1CN(C)C
9.43	Hunt	1	0	C[N+](C)(C)CCc1cccc(O)c1	C[N+](C)(C)CCc1cccc([O-])c1	mol2339	C[N+](C)(C)CCc1cccc(O)c1
9.8	Hunt	1	0	C[N+](C)(C)CCc1ccc(O)cc1	C[N+](C)(C)CCc1ccc([O-])cc1	mol2340	C[N+](C)(C)CCc1ccc(O)cc1
3.72	Hunt	0	-1	Cc1cc(C(=O)O)c2ccccc2c1	Cc1cc(C(=O)[O-])c2ccccc2c1	mol2341	Cc1cc(C(=O)O)c2ccccc2c1
8.88	Hunt	0	-1	COC(=O)c1cc(O)cc2ccccc12	COC(=O)c1cc([O-])cc2ccccc12	mol2342	COC(=O)c1cc(O)cc2ccccc12
4.21	Hunt	0	-1	O=C(O)c1ccc(C2CCCC2)cc1	O=C([O-])c1ccc(C2CCCC2)cc1	mol2343	O=C(O)c1ccc(C2CCCC2)cc1
10.74	Hunt	0	-1	CCCCc1cc(C)c(O)cc1C	CCCCc1cc(C)c([O-])cc1C	mol2344	CCCCc1cc(C)c(O)cc1C
11.1	Hunt	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
8.07	Hunt	0	-1	Oc1cc(-c2ccccc2)ccc1Cl	[O-]c1cc(-c2ccccc2)ccc1Cl	mol2346	Oc1cc(-c2ccccc2)ccc1Cl
9.56	Hunt	0	-1	CCc1ccc(O)c2sc(C)c(C)c12	CCc1ccc([O-])c2sc(C)c(C)c12	mol2347	CCc1ccc(O)c2sc(C)c(C)c12
8.66	Hunt	0	-1	Oc1ccc(C2CCCCC2)cc1Cl	[O-]c1ccc(C2CCCCC2)cc1Cl	mol2348	Oc1ccc(C2CCCCC2)cc1Cl
2.598	Hunt	0	-1	CC(C)(C)c1ccc(S(=O)(=O)CC(=O)O)cc1	CC(C)(C)c1ccc(S(=O)(=O)CC(=O)[O-])cc1	mol2349	CC(C)(C)c1ccc(S(=O)(=O)CC(=O)O)cc1
7.42	Hunt	0	-1	O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1	O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	mol2350	O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1
7.95	Hunt	0	-1	O=C(c1ccccc1)c1ccc(O)cc1	O=C(c1ccccc1)c1ccc([O-])cc1	mol2351	O=C(c1ccccc1)c1ccc(O)cc1
10.4	Hunt	0	-1	COc1ccccc1-c1ccccc1O	COc1ccccc1-c1ccccc1[O-]	mol2352	COc1ccccc1-c1ccccc1O
5.07	Hunt	0	-1	O=C(O)CCCCCCc1ccccc1	O=C([O-])CCCCCCc1ccccc1	mol2353	O=C(O)CCCCCCc1ccccc1
8.94	Hunt	0	-1	[O-]c1ccc2ccccc2c1/N=N/c1[nH+]ccs1,Oc1ccc2ccccc2c1/N=N/c1nccs1,[O-]c1ccc2ccccc2c1/N=[NH+]/c1nccs1,[O-]c1ccc2ccccc2c1/[NH+]=N/c1nccs1	[O-]c1ccc2ccccc2c1/N=N/c1nccs1	mol2354	Oc1ccc2ccccc2c1/N=N/c1nccs1
10.78	Hunt	0	-1	CC(=O)c1ccc(-c2ccccc2O)cc1	CC(=O)c1ccc(-c2ccccc2[O-])cc1	mol2355	CC(=O)c1ccc(-c2ccccc2O)cc1
0.7	Hunt	0	-1	O=P(O)(OCc1ccccc1)OCc1ccccc1	O=P([O-])(OCc1ccccc1)OCc1ccccc1	mol2356	O=P(O)(OCc1ccccc1)OCc1ccccc1
10.83	Hunt	0	-1	CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O	CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1[O-]	mol2357	CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O
8.18	Hunt	0	-1	CC(C)(C)c1cc(N=O)cc(C(C)(C)C)c1O	CC(C)(C)c1cc(N=O)cc(C(C)(C)C)c1[O-]	mol2358	CC(C)(C)c1cc(N=O)cc(C(C)(C)C)c1O
6.65	Hunt	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
7.98	Hunt	0	-1	O=C(c1ccc(C(F)(F)F)cc1)N(O)c1ccccc1	O=C(c1ccc(C(F)(F)F)cc1)N([O-])c1ccccc1	mol2360	O=C(c1ccc(C(F)(F)F)cc1)N(O)c1ccccc1
12.15	Hunt	0	-1	COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	COc1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1	mol2361	COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
11.4	Hunt	1	0	C[Si](C)(C)C[NH2+]C[Si](C)(C)C	C[Si](C)(C)CNC[Si](C)(C)C	mol2362	C[Si](C)(C)CNC[Si](C)(C)C
6.43	Hunt	1	0	C[NH+](CCCl)CCCl	CN(CCCl)CCCl	mol2363	CN(CCCl)CCCl
10.9	Hunt	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
8.71	Hunt	1	0	C[NH+](C)CCC(=O)C(c1ccccc1)c1ccccc1	CN(C)CCC(=O)C(c1ccccc1)c1ccccc1	mol2364	CN(C)CCC(=O)C(c1ccccc1)c1ccccc1
10.5	Hunt	1	0	CC[NH+](C)CC	CCN(C)CC	mol187	CCN(C)CC
9.41	Hunt	1	0	[NH3+]CCSCCO	NCCSCCO	mol2365	NCCSCCO
9.1	Hunt	1	0	CC(=O)CCC[NH+](C)C	CC(=O)CCCN(C)C	mol223	CC(=O)CCCN(C)C
10.72	Hunt	1	0	CC(C)C[NH3+]	CC(C)CN	mol2366	CC(C)CN
10.08	Hunt	1	0	CC(C)C[NH+](C)C	CC(C)CN(C)C	mol2367	CC(C)CN(C)C
1.42	Hunt	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-]
9.49	Hunt	1	0	C=CC[NH3+]	C=CCN	mol2369	C=CCN
9.47	Hunt	1	0	[NH3+]CC=C(Cl)Cl	NCC=C(Cl)Cl	mol2370	NCC=C(Cl)Cl
8.31	Hunt	1	0	C=CC[NH+](CC=C)CC=C	C=CCN(CC=C)CC=C	mol2371	C=CCN(CC=C)CC=C
8.64	Hunt	1	0	C=CC[NH+](C)C	C=CCN(C)C	mol2372	C=CCN(C)C
1.62	Hunt	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-]
8.8	Hunt	1	0	CCC([NH3+])(CO)CO	CCC(N)(CO)CO	mol2374	CCC(N)(CO)CO
9.93	Hunt	1	0	[NH3+]CCCC(Cl)(Cl)Cl	NCCCC(Cl)(Cl)Cl	mol2375	NCCCC(Cl)(Cl)Cl
9.43	Hunt	1	0	C[C@@H](CC(c1ccccc1)c1ccccc1)[NH+](C)C	C[C@@H](CC(c1ccccc1)c1ccccc1)N(C)C	mol2376	C[C@@H](CC(c1ccccc1)c1ccccc1)N(C)C
8.85	Hunt	1	0	CC[NH+](CC)[C@@H](C)C=C(c1cccs1)c1cccs1	CCN(CC)[C@@H](C)C=C(c1cccs1)c1cccs1	mol2377	CCN(CC)[C@@H](C)C=C(c1cccs1)c1cccs1
8.25	Hunt	1	0	C#CCC[NH3+]	C#CCCN	mol2378	C#CCCN
10.42	Hunt	1	0	CCC([NH3+])CC	CCC(N)CC	mol2379	CCC(N)CC
10.23	Hunt	1	0	CC(C)C([NH3+])C(C)C	CC(C)C(N)C(C)C	mol2380	CC(C)C(N)C(C)C
10.59	Hunt	1	0	CCC([NH3+])(CC)CC	CCC(N)(CC)CC	mol2381	CCC(N)(CC)CC
10.73	Hunt	1	0	CC(C)(C)CC(C)(C)[NH3+]	CC(C)(C)CC(C)(C)N	mol2382	CC(C)(C)CC(C)(C)N
10.6	Hunt	1	0	[NH3+]CCCCCCO	NCCCCCCO	mol2383	NCCCCCCO
10.66	Hunt	1	0	CCCCCCC[NH3+]	CCCCCCCN	mol2384	CCCCCCCN
10.06	Hunt	1	0	C[NH2+][C@@H]1CCC[C@H]1O	CN[C@@H]1CCC[C@H]1O	mol2385	CN[C@@H]1CCC[C@H]1O
4.2	Hunt	0	-1	CCCOc1cccc(C(=O)O)c1	CCCOc1cccc(C(=O)[O-])c1	mol2386	CCCOc1cccc(C(=O)O)c1
9.38	Hunt	1	0	C[C@H]1CC[C@@H](O)[C@@H]([NH3+])C1	C[C@H]1CC[C@@H](O)[C@@H](N)C1	mol2387	C[C@H]1CC[C@@H](O)[C@@H](N)C1
10.35	Hunt	1	0	CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH3+]	CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N	mol2388	CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N
10.56	Hunt	1	0	C[C@@H]1CCC[C@@H]([NH3+])C1	C[C@@H]1CCC[C@@H](N)C1	mol2389	C[C@@H]1CCC[C@@H](N)C1
10.72	Hunt	1	0	C[NH+](C)C1CCCCC1	CN(C)C1CCCCC1	mol2390	CN(C)C1CCCCC1
4.36	Hunt	1	0	Cc1cc(Br)cc(C)c1[NH+](C)C	Cc1cc(Br)cc(C)c1N(C)C	mol2391	Cc1cc(Br)cc(C)c1N(C)C
8.02	Hunt	1	0	CC[NH+](c1ccccc1)C(C)(C)C	CCN(c1ccccc1)C(C)(C)C	mol2392	CCN(c1ccccc1)C(C)(C)C
6.03	Hunt	1	0	CCCC[NH+](C)c1ccccc1	CCCCN(C)c1ccccc1	mol2393	CCCCN(C)c1ccccc1
5.34	Hunt	1	0	Cc1ccccc1[NH2+]C1CCCCC1	Cc1ccccc1NC1CCCCC1	mol2394	Cc1ccccc1NC1CCCCC1
5.3	Hunt	1	0	c1ccc([NH2+]C2CCCC2)cc1	c1ccc(NC2CCCC2)cc1	mol2395	c1ccc(NC2CCCC2)cc1
2.87	Hunt	1	0	Cc1c(Br)cc([NH3+])cc1Br	Cc1c(Br)cc(N)cc1Br	mol2396	Cc1c(Br)cc(N)cc1Br
7.239	Hunt	1	0	CC[NH+](CC)c1ccccc1C	CCN(CC)c1ccccc1C	mol2397	CCN(CC)c1ccccc1C
7.12	Hunt	1	0	CC[NH+](CC)c1cccc(C)c1	CCN(CC)c1cccc(C)c1	mol2398	CCN(CC)c1cccc(C)c1
3.82	Hunt	1	0	COc1cc([NH3+])cc(OC)c1	COc1cc(N)cc(OC)c1	mol2399	COc1cc(N)cc(OC)c1
4.62	Hunt	1	0	C[NH2+]c1ccccc1C	CNc1ccccc1C	mol2400	CNc1ccccc1C
5.0	Hunt	1	0	C[NH2+]c1cccc(C)c1	CNc1cccc(C)c1	mol2401	CNc1cccc(C)c1
4.53	Hunt	1	0	Cc1ccc(C)c([NH3+])c1	Cc1ccc(C)c(N)c1	mol2402	Cc1ccc(C)c(N)c1
2.67	Hunt	1	0	C[NH+](C)c1ccc(C(F)(F)F)cc1	CN(C)c1ccc(C(F)(F)F)cc1	mol2403	CN(C)c1ccc(C(F)(F)F)cc1
1.62	Hunt	1	0	C[NH+](C)c1ccc(C=O)cc1	CN(C)c1ccc(C=O)cc1	mol2404	CN(C)c1ccc(C=O)cc1
2.6	Hunt	1	0	[NH3+]c1ccccc1I	Nc1ccccc1I	mol2405	Nc1ccccc1I
4.67	Hunt	1	0	CC(C)c1cccc([NH3+])c1	CC(C)c1cccc(N)c1	mol2406	CC(C)c1cccc(N)c1
5.31	Hunt	1	0	COc1ccc([NH3+])cc1	COc1ccc(N)cc1	mol2407	COc1ccc(N)cc1
2.52	Hunt	1	0	COC(=O)c1ccc([NH+](C)C)cc1	COC(=O)c1ccc(N(C)C)cc1	mol2408	COC(=O)c1ccc(N(C)C)cc1
3.62	Hunt	0	-1	CCOc1cccc(C(=O)O)c1CO	CCOc1cccc(C(=O)[O-])c1CO	mol2409	CCOc1cccc(C(=O)O)c1CO
4.39	Hunt	1	0	Cc1ccccc1[NH3+]	Cc1ccccc1N	mol2410	Cc1ccccc1N
1.04	Hunt	1	0	Cc1cc([N+](=O)[O-])ccc1[NH3+]	Cc1cc([N+](=O)[O-])ccc1N	mol2411	Cc1cc([N+](=O)[O-])ccc1N
5.76	Hunt	1	0	CCC[NH+](C)c1ccccc1	CCCN(C)c1ccccc1	mol2412	CCCN(C)c1ccccc1
1.0	Hunt	1	0	[NH3+]c1ccc([N+](=O)[O-])cc1	Nc1ccc([N+](=O)[O-])cc1	mol2413	Nc1ccc([N+](=O)[O-])cc1
6.12	Hunt	1	0	C[NH2+]c1c(C)cccc1C	CNc1c(C)cccc1C	mol2414	CNc1c(C)cccc1C
5.3	Hunt	1	0	C[Si](C)(C)C[NH2+]c1ccccc1	C[Si](C)(C)CNc1ccccc1	mol2415	C[Si](C)(C)CNc1ccccc1
8.67	Hunt	1	0	[NH3+]C[C@H](O)c1cccc(O)c1	[NH3+]C[C@H](O)c1cccc([O-])c1,NC[C@H](O)c1cccc(O)c1	mol2416	NC[C@H](O)c1cccc(O)c1
8.75	Hunt	1	0	C[C@@H]([NH3+])[C@@H](O)c1ccc(O)c(O)c1	C[C@@H]([NH3+])[C@@H](O)c1ccc([O-])c(O)c1,C[C@@H]([NH3+])[C@@H](O)c1ccc(O)c([O-])c1,C[C@@H](N)[C@@H](O)c1ccc(O)c(O)c1	mol2417	C[C@@H](N)[C@@H](O)c1ccc(O)c(O)c1
4.37	Hunt	0	-1	CCc1ccc(CC(=O)O)cc1	CCc1ccc(CC(=O)[O-])cc1	mol2418	CCc1ccc(CC(=O)O)cc1
9.87	Hunt	0	-1	C[C@@H](CO)[NH2+]CCc1ccc([O-])c(O)c1,C[C@@H](CO)NCCc1ccc(O)c(O)c1,C[C@@H](CO)[NH2+]CCc1ccc(O)c([O-])c1	C[C@@H](CO)NCCc1ccc(O)c([O-])c1,C[C@@H](CO)NCCc1ccc([O-])c(O)c1,C[C@@H](CO)[NH2+]CCc1ccc([O-])c([O-])c1	mol2419	C[C@@H](CO)NCCc1ccc(O)c(O)c1
6.75	Hunt	1	0	Cc1cc(O)cc(O)c1C(=[NH2+])c1ccccc1	Cc1cc(O)cc([O-])c1C(=[NH2+])c1ccccc1,[H]/N=C(\c1ccccc1)c1c(C)cc(O)cc1O,Cc1cc(O)cc(O)c1C(=N)c1ccccc1,Cc1cc([O-])cc(O)c1C(=[NH2+])c1ccccc1	mol2420	[H]/N=C(\c1ccccc1)c1c(C)cc(O)cc1O
6.45	Hunt	1	0	[NH2+]=C(c1ccccc1)c1ccc(O)cc1	N=C(c1ccccc1)c1ccc(O)cc1,[H]/N=C(\c1ccccc1)c1ccc(O)cc1,[NH2+]=C(c1ccccc1)c1ccc([O-])cc1	mol2421	[H]/N=C(\c1ccccc1)c1ccc(O)cc1
9.49	Hunt	1	0	CC(C)[NH2+]CCc1ccc(O)cc1	CC(C)NCCc1ccc(O)cc1,CC(C)[NH2+]CCc1ccc([O-])cc1	mol2422	CC(C)NCCc1ccc(O)cc1
6.79	Hunt	1	0	Cc1ccccc1C(=[NH2+])c1ccccc1	[H]/N=C(\c1ccccc1)c1ccccc1C,Cc1ccccc1C(=N)c1ccccc1	mol2423	[H]/N=C(\c1ccccc1)c1ccccc1C
8.8	Hunt	1	0	[NH3+]Cc1ccccc1Cl	NCc1ccccc1Cl	mol2424	NCc1ccccc1Cl
9.6	Hunt	1	0	CCC[NH2+]Cc1ccccc1	CCCNCc1ccccc1	mol232	CCCNCc1ccccc1
4.82	Hunt	1	0	[NH3+]c1ccc2c(c1)-c1ccccc1C2	Nc1ccc2c(c1)-c1ccccc1C2	mol2425	Nc1ccc2c(c1)-c1ccccc1C2
9.21	Hunt	1	0	[NH3+][C@H]1CCc2ccccc21	N[C@H]1CCc2ccccc21	mol2426	N[C@H]1CCc2ccccc21
2.67	Hunt	1	0	[NH3+]c1cc(Br)cc2ccccc12	Nc1cc(Br)cc2ccccc12	mol2427	Nc1cc(Br)cc2ccccc12
3.21	Hunt	1	0	[NH3+]c1ccc(Br)c2ccccc12	Nc1ccc(Br)c2ccccc12	mol2428	Nc1ccc(Br)c2ccccc12
3.41	Hunt	1	0	[NH3+]c1cc(I)c2ccccc2c1	Nc1cc(I)c2ccccc2c1	mol2429	Nc1cc(I)c2ccccc2c1
3.38	Hunt	1	0	COC(=O)c1cc([NH3+])cc2ccccc12	COC(=O)c1cc(N)cc2ccccc12	mol2430	COC(=O)c1cc(N)cc2ccccc12
2.79	Hunt	1	0	[NH3+]c1cccc2cccc([N+](=O)[O-])c12	Nc1cccc2cccc([N+](=O)[O-])c12	mol2431	Nc1cccc2cccc([N+](=O)[O-])c12
4.566	Hunt	1	0	C[NH+](C)c1ccc2ccccc2c1	CN(C)c1ccc2ccccc2c1	mol2432	CN(C)c1ccc2ccccc2c1
7.91	Hunt	1	0	C[C@@H](C=C(c1cccs1)c1cccs1)[NH+]1CCCCCC1	C[C@@H](C=C(c1cccs1)c1cccs1)N1CCCCCC1	mol2433	C[C@@H](C=C(c1cccs1)c1cccs1)N1CCCCCC1
8.1	Hunt	1	0	CC(C)[NH+]1CCCC(=O)[C@H](O)CCC1	CC(C)N1CCCC(=O)[C@H](O)CCC1	mol2434	CC(C)N1CCCC(=O)[C@H](O)CCC1
11.1	Hunt	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.07	Hunt	1	0	C[C@@H]1CCC[C@H](C)[NH2+]1	C[C@@H]1CCC[C@H](C)N1	mol2435	C[C@@H]1CCC[C@H](C)N1
10.45	Hunt	1	0	CC[NH+]1CCCCC1	CCN1CCCCC1	mol2436	CCN1CCCCC1
10.1	Hunt	1	0	C[NH+]1CCCCC1	CN1CCCCC1	mol195	CN1CCCCC1
10.7	Hunt	1	0	C[C@@H]1CCCC(C)(C)[NH+]1C	C[C@@H]1CCCC(C)(C)N1C	mol2437	C[C@@H]1CCCC(C)(C)N1C
11.1	Hunt	1	0	CC1(C)CCCC(C)(C)[NH2+]1	CC1(C)CCCC(C)(C)N1	mol228	CC1(C)CCCC(C)(C)N1
11.53	Hunt	1	0	CC[NH+]1CCCC=C1C	CCN1CCCC=C1C	mol2438	CCN1CCCC=C1C
9.98	Hunt	0	-1	[O-]c1ccccc1-c1cccc[nH+]1,Oc1ccccc1-c1ccccn1	[O-]c1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
9.78	Hunt	1	0	C[NH2+]CCc1ccccn1,CNCCc1cccc[nH+]1	CNCCc1ccccn1	mol2440	CNCCc1ccccn1
1.73	Hunt	1	0	C[NH+](c1ccccn1)S(C)(=O)=O,CN(c1cccc[nH+]1)S(C)(=O)=O	CN(c1ccccn1)S(C)(=O)=O	mol2441	CN(c1ccccn1)S(C)(=O)=O
2.0	Hunt	1	0	c1ccc(/N=[NH+]/c2ccccn2)cc1,c1ccc(/N=N/c2cccc[nH+]2)cc1	c1ccc(/N=N/c2ccccn2)cc1	mol2442	c1ccc(/N=N/c2ccccn2)cc1
8.51	Hunt	1	0	c1ccc(C[NH+]2CCCCC2)nc1,c1ccc(CN2CCCCC2)[nH+]c1	c1ccc(CN2CCCCC2)nc1	mol2443	c1ccc(CN2CCCCC2)nc1
10.61	Hunt	1	0	CCCC[NH+]1CCC[C@H]1C	CCCCN1CCC[C@H]1C	mol2444	CCCCN1CCC[C@H]1C
10.76	Hunt	1	0	C1CCC([C@@H]2CCC[NH2+]2)CC1	C1CCC([C@@H]2CCCN2)CC1	mol2445	C1CCC([C@@H]2CCCN2)CC1
9.78	Hunt	1	0	CC[C@@H]1CCC[NH+]1C	CC[C@@H]1CCCN1C	mol2446	CC[C@@H]1CCCN1C
9.6	Hunt	1	0	c1ccc([C@@H]2CCC[NH2+]2)cc1	c1ccc([C@@H]2CCCN2)cc1	mol2447	c1ccc([C@@H]2CCCN2)cc1
7.91	Hunt	1	0	C1=C(C2CCCCC2)[NH2+]CC1	C1=C(C2CCCCC2)NCC1	mol2448	C1=C(C2CCCCC2)NCC1
11.9	Hunt	1	0	CC1=CCC[NH+]1C	CC1=CCCN1C	mol2449	CC1=CCCN1C
11.84	Hunt	1	0	CC[NH+]1CCC=C1C	CCN1CCC=C1C	mol2450	CCN1CCC=C1C
6.84	Hunt	1	0	C1=C(c2ccccc2)[NH2+]CC1	C1=C(c2ccccc2)NCC1	mol2451	C1=C(c2ccccc2)NCC1
6.39	Hunt	1	0	O=C(CC[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1	O=C(CCN1CCOCC1)C(c1ccccc1)c1ccccc1	mol2452	O=C(CCN1CCOCC1)C(c1ccccc1)c1ccccc1
7.4	Hunt	1	0	Cc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1,Cc1ccc(S(=O)(=O)[NH+]2CCNCC2)cc1	Cc1ccc(S(=O)(=O)N2CCNCC2)cc1	mol264	Cc1ccc(S(=O)(=O)N2CCNCC2)cc1
13.0	Hunt	-1	-2	[O-]c1ccc(O)nn1	[O-]c1ccc([O-])nn1	mol2453	Oc1ccc(O)nn1
10.5	Hunt	0	-1	[O-]c1ccc[nH+]n1,Oc1cccnn1	[O-]c1cccnn1	mol2454	Oc1cccnn1
1.95	Hunt	1	0	Nc1ncc(Br)c[nH+]1,[NH3+]c1ncc(Br)cn1	Nc1ncc(Br)cn1	mol2455	Nc1ncc(Br)cn1
11.9	Hunt	1	0	""	""	mol2456	[H]/N=c1/cc(SC)n(C)c(N)n1
3.9	Hunt	1	0	C[NH2+]c1nccc(O)n1,CNc1nc(O)cc[nH+]1,C[NH2+]c1nc([O-])cc[nH+]1,CNc1nccc(O)[nH+]1	CNc1nc([O-])cc[nH+]1,C[NH2+]c1nccc([O-])n1,CNc1nccc(O)n1	mol2457	CNc1nccc(O)n1
4.09	Hunt	1	0	CCC[NH2+]c1ncccn1,CCCNc1nccc[nH+]1	CCCNc1ncccn1	mol2458	CCCNc1ncccn1
10.45	Hunt	0	-1	Cc1ccc(O)c(C)c1	Cc1ccc([O-])c(C)c1	mol2459	Cc1ccc(O)c(C)c1
10.22	Hunt	0	-1	Cc1ccc(C)c(O)c1	Cc1ccc(C)c([O-])c1	mol2460	Cc1ccc(C)c(O)c1
9.62	Hunt	0	-1	Oc1cc2ccccc2cn1	[O-]c1cc2ccccc2cn1	mol2461	Oc1cc2ccccc2cn1
8.9	Hunt	0	-1	[O-]c1ccc2cc[nH+]cc2c1,Oc1ccc2ccncc2c1	[O-]c1ccc2ccncc2c1	mol2462	Oc1ccc2ccncc2c1
10.28	Hunt	0	-1	Oc1cccc2c1CCCC2	[O-]c1cccc2c1CCCC2	mol2463	Oc1cccc2c1CCCC2
0.1	Hunt	1	0	O=C(O)c1ccc2[nH+]cccc2c1	O=C(O)c1ccc2ncccc2c1,O=C([O-])c1ccc2[nH+]cccc2c1	mol2464	O=C(O)c1ccc2ncccc2c1
9.3	Hunt	0	-1	Oc1cccc2ccccc12	[O-]c1cccc2ccccc12	mol2465	Oc1cccc2ccccc12
9.125	Hunt	0	-1	Oc1ccccc1O	[O-]c1ccccc1O	mol2466	Oc1ccccc1O
10.9	Hunt	0	-1	[O-]c1c(CN2CCCCC2)ccc2ccc[nH+]c12,[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc12,Oc1c(CN2CCCCC2)ccc2cccnc12	[O-]c1c(CN2CCCCC2)ccc2cccnc12	mol2467	Oc1c(CN2CCCCC2)ccc2cccnc12
10.1	Hunt	0	-1	[O-]c1cc(C(F)(F)F)cc2ccc[nH+]c12,Oc1cc(C(F)(F)F)cc2cccnc12	[O-]c1cc(C(F)(F)F)cc2cccnc12	mol2468	Oc1cc(C(F)(F)F)cc2cccnc12
9.58	Hunt	0	-1	Oc1ccc(O)c2ccccc12	[O-]c1ccc(O)c2ccccc12	mol2469	Oc1ccc(O)c2ccccc12
7.81	Hunt	1	0	N#C[C@H]1C[NH+]2CCC1CC2	N#C[C@H]1CN2CCC1CC2	mol2470	N#C[C@H]1CN2CCC1CC2
9.4	Hunt	1	0	COC(=O)[C@@H]1C[NH+]2CCC1CC2	COC(=O)[C@@H]1CN2CCC1CC2	mol2471	COC(=O)[C@@H]1CN2CCC1CC2
9.28	Hunt	0	-1	Oc1cccc(F)c1	[O-]c1cccc(F)c1	mol2472	Oc1cccc(F)c1
9.95	Hunt	0	-1	Oc1ccc(F)cc1	[O-]c1ccc(F)cc1	mol2473	Oc1ccc(F)cc1
8.39	Hunt	0	-1	Oc1ccccc1Br	[O-]c1ccccc1Br	mol2474	Oc1ccccc1Br
8.87	Hunt	0	-1	Oc1cccc(Br)c1	[O-]c1cccc(Br)c1	mol2475	Oc1cccc(Br)c1
7.42	Hunt	0	-1	Oc1cccc2nnccc12,[O-]c1cccc2n[nH+]ccc12,[O-]c1cccc2[nH+]nccc12	[O-]c1cccc2nnccc12	mol2476	Oc1cccc2nnccc12
10.03	Hunt	0	-1	Oc1ccnc2cccnc12,[O-]c1ccnc2ccc[nH+]c12,[O-]c1cc[nH+]c2cccnc12	[O-]c1ccnc2cccnc12	mol2477	Oc1ccnc2cccnc12
10.1	Hunt	-1	-2	[O-]c1c(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
7.15	Hunt	0	-1	O=[N+]([O-])c1ccc(O)cc1	O=[N+]([O-])c1ccc([O-])cc1	mol2479	O=[N+]([O-])c1ccc(O)cc1
7.94	Hunt	0	-1	Oc1ccc2nccnc2c1,[O-]c1ccc2ncc[nH+]c2c1,[O-]c1ccc2[nH+]ccnc2c1	[O-]c1ccc2nccnc2c1	mol2480	Oc1ccc2nccnc2c1
4.25	Hunt	1	0	Nc1ccc2nccnc2[nH+]1,[NH3+]c1ccc2nccnc2n1,Nc1ccc2ncc[nH+]c2n1,Nc1ccc2[nH+]ccnc2n1	Nc1ccc2nccnc2n1	mol2481	Nc1ccc2nccnc2n1
-2.0	Hunt	2	1	[NH3+]c1ccc2ncc[nH+]c2n1,Nc1ccc2[nH+]cc[nH+]c2n1,Nc1ccc2[nH+]ccnc2[nH+]1,[NH3+]c1ccc2[nH+]ccnc2n1,[NH3+]c1ccc2nccnc2[nH+]1,Nc1ccc2ncc[nH+]c2[nH+]1	Nc1ccc2nccnc2[nH+]1,[NH3+]c1ccc2nccnc2n1,Nc1ccc2ncc[nH+]c2n1,Nc1ccc2[nH+]ccnc2n1	mol2481	Nc1ccc2nccnc2n1
0.378	Hunt	0	-1	O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21	O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21	mol2482	O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21
5.85	Hunt	1	0	CCOP(=O)(C[NH+](C)C)OCC	CCOP(=O)(CN(C)C)OCC	mol2483	CCOP(=O)(CN(C)C)OCC
8.2	Hunt	1	0	CCOP(=O)(CC[NH+](CC)CC)OCC	CCOP(=O)(CCN(CC)CC)OCC	mol2484	CCOP(=O)(CCN(CC)CC)OCC
7.73	Hunt	1	0	CCOP(=O)(OCC)SCC[NH+](C)C	CCOP(=O)(OCC)SCCN(C)C	mol2485	CCOP(=O)(OCC)SCCN(C)C
9.2	Hunt	1	0	CC[C@H](O)C[NH+](CC)C[C@@H](O)CC	CC[C@H](O)CN(CC)C[C@@H](O)CC	mol2486	CC[C@H](O)CN(CC)C[C@@H](O)CC
8.13	Hunt	1	0	[NH3+][C@@H]1C[C@H]1c1ccc(Br)cc1	N[C@@H]1C[C@H]1c1ccc(Br)cc1	mol2487	N[C@@H]1C[C@H]1c1ccc(Br)cc1
8.25	Hunt	1	0	[NH3+][C@@H]1C[C@H]1c1ccc(F)cc1	N[C@@H]1C[C@H]1c1ccc(F)cc1	mol2488	N[C@@H]1C[C@H]1c1ccc(F)cc1
8.27	Hunt	1	0	[NH3+][C@@H]1C[C@H]1c1ccccc1	N[C@@H]1C[C@H]1c1ccccc1	mol2489	N[C@@H]1C[C@H]1c1ccccc1
10.5	Hunt	1	0	[NH3+][C@@H]1C[C@@H]2CC[C@H]1C2	N[C@@H]1C[C@@H]2CC[C@H]1C2	mol2490	N[C@@H]1C[C@@H]2CC[C@H]1C2
10.68	Hunt	1	0	[NH3+][C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	mol123	NC12CC3CC(CC(C3)C1)C2
7.97	Hunt	1	0	C#CC[NH+](CC)CC	C#CCN(CC)CC	mol2491	C#CCN(CC)CC
10.38	Hunt	1	0	CC(C)C[NH+]1CCCC1	CC(C)CN1CCCC1	mol2492	CC(C)CN1CCCC1
8.24	Hunt	1	0	CCCO[P@@](C)(=O)OCC[NH+](C)C	CCCO[P@@](C)(=O)OCCN(C)C	mol2493	CCCO[P@@](C)(=O)OCCN(C)C
7.77	Hunt	1	0	CCCO[P@](C)(=O)SCC[NH+](C)C	CCCO[P@](C)(=O)SCCN(C)C	mol2494	CCCO[P@](C)(=O)SCCN(C)C
9.2	Hunt	1	0	C[C@@H](O)C[NH+](CCO)C(C)(C)C	C[C@@H](O)CN(CCO)C(C)(C)C	mol2495	C[C@@H](O)CN(CCO)C(C)(C)C
9.62	Hunt	1	0	CCC[C@H]([NH3+])c1ccc(C)cc1	CCC[C@H](N)c1ccc(C)cc1	mol2496	CCC[C@H](N)c1ccc(C)cc1
8.95	Hunt	1	0	C[C@H]([NH3+])c1ccc(Br)cc1	C[C@H](N)c1ccc(Br)cc1	mol2497	C[C@H](N)c1ccc(Br)cc1
9.45	Hunt	1	0	CCCCOc1ccc([C@H](C)[NH3+])cc1	CCCCOc1ccc([C@H](C)N)cc1	mol2498	CCCCOc1ccc([C@H](C)N)cc1
9.85	Hunt	1	0	CC(C)[C@H]([NH3+])c1ccccc1	CC(C)[C@H](N)c1ccccc1	mol2499	CC(C)[C@H](N)c1ccccc1
8.9	Hunt	1	0	CC[C@@H]([NH3+])c1cccc(Br)c1	CC[C@@H](N)c1cccc(Br)c1	mol2500	CC[C@@H](N)c1cccc(Br)c1
9.27	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1	CC(C)NC[C@H](O)c1ccc(Cl)c(Cl)c1	mol2501	CC(C)NC[C@H](O)c1ccc(Cl)c(Cl)c1
9.11	Hunt	1	0	C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1	CNC[C@H](O)c1ccc(Cl)c(Cl)c1	mol2502	CNC[C@H](O)c1ccc(Cl)c(Cl)c1
9.8	Hunt	1	0	CC[NH+](CC)CC(c1ccccc1)c1ccccc1	CCN(CC)CC(c1ccccc1)c1ccccc1	mol2503	CCN(CC)CC(c1ccccc1)c1ccccc1
9.23	Hunt	1	0	C[NH2+]C[C@H](O)c1ccc(F)c(F)c1	CNC[C@H](O)c1ccc(F)c(F)c1	mol2504	CNC[C@H](O)c1ccc(F)c(F)c1
9.01	Hunt	1	0	Cc1ccccc1[C@@H](O)C[NH2+]C(C)C	Cc1ccccc1[C@@H](O)CNC(C)C	mol2505	Cc1ccccc1[C@@H](O)CNC(C)C
9.45	Hunt	1	0	Cc1cccc([C@@H](O)C[NH2+]C(C)C)c1	Cc1cccc([C@@H](O)CNC(C)C)c1	mol2506	Cc1cccc([C@@H](O)CNC(C)C)c1
9.42	Hunt	1	0	CSc1cccc([C@@H](O)C[NH2+]C(C)C)c1	CSc1cccc([C@@H](O)CNC(C)C)c1	mol2507	CSc1cccc([C@@H](O)CNC(C)C)c1
9.2	Hunt	1	0	CC(C)[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1	CC(C)NC[C@H](O)c1ccc(-c2ccccc2)cc1	mol2508	CC(C)NC[C@H](O)c1ccc(-c2ccccc2)cc1
8.98	Hunt	1	0	OCC[NH+](CCO)Cc1cccc(Br)c1	OCCN(CCO)Cc1cccc(Br)c1	mol2509	OCCN(CCO)Cc1cccc(Br)c1
-5.49	Hunt	1	0	O=[N+]([O-])c1ccc([NH2+]Cc2cccc(Br)c2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1	mol2510	O=[N+]([O-])c1ccc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1
-4.9	Hunt	1	0	O=[N+]([O-])c1ccc([NH2+]Cc2ccccc2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	mol2511	O=[N+]([O-])c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1
-4.99	Hunt	1	0	O=[N+]([O-])c1ccc([NH2+]Cc2ccc(F)cc2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1	mol2512	O=[N+]([O-])c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1
9.3	Hunt	1	0	[NH3+]Cc1ccc(F)cc1	NCc1ccc(F)cc1	mol2513	NCc1ccc(F)cc1
9.32	Hunt	1	0	COc1ccc(C[NH+](C)C)cc1	COc1ccc(CN(C)C)cc1	mol2514	COc1ccc(CN(C)C)cc1
8.35	Hunt	1	0	C=CCC(=O)OCC[NH+]1CCCCC1	C=CCC(=O)OCCN1CCCCC1	mol2515	C=CCC(=O)OCCN1CCCCC1
10.05	Hunt	1	0	CC1CC[NH+](C)CC1	CC1CCN(C)CC1	mol2516	CC1CCN(C)CC1
10.85	Hunt	1	0	CC(C)C1CC[NH2+]CC1	CC(C)C1CCNCC1	mol2517	CC(C)C1CCNCC1
9.77	Hunt	1	0	C[NH+]1CCCC(C)(C)C1	CN1CCCC(C)(C)C1	mol2518	CN1CCCC(C)(C)C1
2.75	Hunt	1	0	[NH3+]c1ncc(Cl)cc1Cl,Nc1[nH+]cc(Cl)cc1Cl	Nc1ncc(Cl)cc1Cl	mol2519	Nc1ncc(Cl)cc1Cl
2.78	Hunt	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
7.25	Hunt	0	-1	Cn1ccnc1C(=O)O,Cn1cc[nH+]c1C(=O)[O-]	Cn1ccnc1C(=O)[O-]	mol2521	Cn1ccnc1C(=O)O
1.53	Hunt	1	0	Cn1cc[nH+]c1C(=O)O	Cn1ccnc1C(=O)O,Cn1cc[nH+]c1C(=O)[O-]	mol2521	Cn1ccnc1C(=O)O
5.31	Hunt	1	0	C=CCc1c(C)nc([NH2+]C)nc1C,C=CCc1c(C)nc(NC)[nH+]c1C	C=CCc1c(C)nc(NC)nc1C	mol2522	C=CCc1c(C)nc(NC)nc1C
3.31	Hunt	1	0	Cc1nc(N)[nH+]c(C)c1C(N)=O,Cc1nc([NH3+])nc(C)c1C(N)=O	Cc1nc(N)nc(C)c1C(N)=O	mol2523	Cc1nc(N)nc(C)c1C(N)=O
2.05	Hunt	1	0	CNc1ncc(C(N)=O)c[nH+]1,C[NH2+]c1ncc(C(N)=O)cn1	CNc1ncc(C(N)=O)cn1	mol2524	CNc1ncc(C(N)=O)cn1
8.86	Hunt	0	-1	COc1ccc(-c2cnc(O)nc2)cc1	COc1ccc(-c2cnc([O-])nc2)cc1	mol2525	COc1ccc(-c2cnc(O)nc2)cc1
5.276	Hunt	1	0	CC[C@H]1CSC(C(C)C)=[NH+]1	CC[C@H]1CSC(C(C)C)=N1	mol2526	CC[C@H]1CSC(C(C)C)=N1
5.301	Hunt	1	0	CC[C@H]1CSC(C)=[NH+]1	CC[C@H]1CSC(C)=N1	mol2527	CC[C@H]1CSC(C)=N1
5.67	Hunt	1	0	CC1=[NH+]CC(C)(C)S1	CC1=NCC(C)(C)S1	mol2528	CC1=NCC(C)(C)S1
3.56	Hunt	1	0	[NH3+]c1cccc(-c2cc(=O)c3ccccc3o2)c1	Nc1cccc(-c2cc(=O)c3ccccc3o2)c1	mol2529	Nc1cccc(-c2cc(=O)c3ccccc3o2)c1
6.78	Hunt	0	-1	Oc1nc(O)nc(O)n1,[O-]c1nc(O)[nH+]c(O)n1	[O-]c1nc(O)nc(O)n1	mol2530	Oc1nc(O)nc(O)n1
9.4	Hunt	1	0	C[NH+](C)CCCN1c2ccccc2Sc2ccccc21,CN(C)CCC[NH+]1c2ccccc2Sc2ccccc21	CN(C)CCCN1c2ccccc2Sc2ccccc21	mol136	CN(C)CCCN1c2ccccc2Sc2ccccc21
9.7	Hunt	1	0	c1ccc2c(c1)Sc1ccccc1[NH+]2CCN1CCCC1,c1ccc2c(c1)Sc1ccccc1N2CC[NH+]1CCCC1	c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1	mol2531	c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1
3.31	Hunt	1	0	CC(=O)c1ccc(Sc2ccc([NH3+])cc2)cc1	CC(=O)c1ccc(Sc2ccc(N)cc2)cc1	mol2532	CC(=O)c1ccc(Sc2ccc(N)cc2)cc1
4.98	Hunt	1	0	[NH3+]c1ccc([C@@]23CCC[C@@H]2C3)cc1	Nc1ccc([C@@]23CCC[C@@H]2C3)cc1	mol2533	Nc1ccc([C@@]23CCC[C@@H]2C3)cc1
3.44	Hunt	1	0	CC(C)(C)S[NH2+]c1ccccc1	CC(C)(C)SNc1ccccc1	mol2534	CC(C)(C)SNc1ccccc1
4.96	Hunt	1	0	[NH3+]c1ccc(C2CCCCC2)cc1	Nc1ccc(C2CCCCC2)cc1	mol2535	Nc1ccc(C2CCCCC2)cc1
1.761	Hunt	1	0	[NH3+]c1cccc(Cl)c1Cl	Nc1cccc(Cl)c1Cl	mol2536	Nc1cccc(Cl)c1Cl
2.968	Hunt	1	0	[NH3+]c1ccc(Cl)c(Cl)c1	Nc1ccc(Cl)c(Cl)c1	mol2537	Nc1ccc(Cl)c(Cl)c1
0.35	Hunt	1	0	CSc1cc(Cl)c([NH3+])c(Cl)c1	CSc1cc(Cl)c(N)c(Cl)c1	mol2538	CSc1cc(Cl)c(N)c(Cl)c1
0.403	Hunt	1	0	Cc1ccc([NH3+])c([N+](=O)[O-])c1	Cc1ccc(N)c([N+](=O)[O-])c1	mol2539	Cc1ccc(N)c([N+](=O)[O-])c1
-0.09	Hunt	1	0	Cc1ccc([N+](=O)[O-])c([NH3+])c1	Cc1ccc([N+](=O)[O-])c(N)c1	mol2540	Cc1ccc([N+](=O)[O-])c(N)c1
-0.71	Hunt	1	0	Cc1cccc([N+](=O)[O-])c1[NH3+]	Cc1cccc([N+](=O)[O-])c1N	mol2541	Cc1cccc([N+](=O)[O-])c1N
4.45	Hunt	1	0	[NH3+]c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	mol2542	Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1
3.78	Hunt	1	0	[NH3+]c1ccc(OC(F)(F)C(F)(F)F)cc1	Nc1ccc(OC(F)(F)C(F)(F)F)cc1	mol2543	Nc1ccc(OC(F)(F)C(F)(F)F)cc1
9.838	Hunt	1	0	COC(=O)CCC[NH3+]	COC(=O)CCCN	mol2544	COC(=O)CCCN
10.5	Hunt	1	0	CCOC(=O)CCCC[NH3+]	CCOC(=O)CCCCN	mol231	CCOC(=O)CCCCN
4.17	Hunt	0	-1	O=C1O[C@H]([C@@H](O)CO)C(O)=C1O	O=C1O[C@H]([C@@H](O)CO)C(O)=C1[O-],O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O	mol2545	O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
11.57	Hunt	-2	-3	O=C1O[C@H]([C@@H](O)CO)C([O-])=C1[O-]	O=C1O[C@H]([C@@H]([O-])CO)C([O-])=C1[O-],O=C1O[C@H]([C@@H]([O-])C[O-])C(O)=C1[O-],O=C1O[C@H]([C@@H](O)C[O-])C([O-])=C1[O-],O=C1O[C@H]([C@@H]([O-])C[O-])C([O-])=C1O	mol2545	O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
3.62	Hunt	0	-1	O=C(O)CNC(=O)c1ccccc1	O=C([O-])CNC(=O)c1ccccc1	mol2546	O=C(O)CNC(=O)c1ccccc1
0.46	Hunt	0	-1	O=C(O)C(F)(F)Cl	O=C([O-])C(F)(F)Cl	mol2547	O=C(O)C(F)(F)Cl
2.29	Hunt	0	-1	C[C@](C#N)(C(=O)O)c1ccccc1	C[C@](C#N)(C(=O)[O-])c1ccccc1	mol2548	C[C@](C#N)(C(=O)O)c1ccccc1
8.61	Hunt	0	-1	N#Cc1cccc(O)c1	N#Cc1cccc([O-])c1	mol2549	N#Cc1cccc(O)c1
9.655	Hunt	0	-1	CCOc1cccc(O)c1	CCOc1cccc([O-])c1	mol2550	CCOc1cccc(O)c1
7.62	Hunt	0	-1	O=Cc1ccc(O)cc1	O=Cc1ccc([O-])cc1	mol2551	O=Cc1ccc(O)cc1
4.71	Hunt	0	-1	O=C(O)CCCO	O=C([O-])CCCO	mol2552	O=C(O)CCCO
2.12	Hunt	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
9.88	Hunt	1	0	C[NH2+]CCO	CNCCO	mol2554	CNCCO
3.08	Hunt	0	-1	C[P@@H](=O)O	C[P@@H](=O)[O-]	mol2555	C[P@@H](=O)O
2.36	Hunt	0	-1	CS(=O)(=O)CC(=O)O	CS(=O)(=O)CC(=O)[O-]	mol2556	CS(=O)(=O)CC(=O)O
1.79	Hunt	0	-1	O=C(O)C(F)=C(F)F	O=C([O-])C(F)=C(F)F	mol2557	O=C(O)C(F)=C(F)F
10.2	Hunt	1	0	[NH3+]CCc1c[nH]c2ccccc12	NCCc1c[nH]c2ccccc12	mol2558	NCCc1c[nH]c2ccccc12
4.66	Hunt	0	-1	C=C(C)C(=O)O	C=C(C)C(=O)[O-]	mol2559	C=C(C)C(=O)O
4.69	Hunt	0	-1	COc1ccc(CCC(=O)O)cc1	COc1ccc(CCC(=O)[O-])cc1	mol2560	COc1ccc(CCC(=O)O)cc1
9.15	Hunt	1	0	COc1cccc(C[NH3+])c1	COc1cccc(CN)c1	mol2561	COc1cccc(CN)c1
9.36	Hunt	1	0	Cc1ccc(C[NH3+])cc1	Cc1ccc(CN)cc1	mol2562	Cc1ccc(CN)cc1
9.1	Hunt	1	0	[NH3+]C1CC1	NC1CC1	mol2563	NC1CC1
10.0	Hunt	0	-1	CCc1ccc(O)cc1	CCc1ccc([O-])cc1	mol2564	CCc1ccc(O)cc1
9.78	Hunt	0	-1	CN(C)CCc1ccc(O)cc1,C[NH+](C)CCc1ccc([O-])cc1	CN(C)CCc1ccc([O-])cc1	mol2565	CN(C)CCc1ccc(O)cc1
10.05	Hunt	0	-1	Cc1cnc2c(O)cccc2c1C,Cc1c[nH+]c2c([O-])cccc2c1C	Cc1cnc2c([O-])cccc2c1C	mol2566	Cc1cnc2c(O)cccc2c1C
9.81	Hunt	0	-1	Oc1cccc2cccnc12,[O-]c1cccc2ccc[nH+]c12	[O-]c1cccc2cccnc12	mol2567	Oc1cccc2cccnc12
4.66	Hunt	0	-1	CC(=O)CCCC(=O)O	CC(=O)CCCC(=O)[O-]	mol2568	CC(=O)CCCC(=O)O
8.89	Hunt	1	0	COc1c(O)cccc1C[NH3+]	COc1c(O)cccc1CN,COc1c([O-])cccc1C[NH3+]	mol2569	COc1c(O)cccc1CN
4.25	Hunt	0	-1	C=CC(=O)O	C=CC(=O)[O-]	mol2570	C=CC(=O)O
7.5	Hunt	1	0	C[C@@H](O)C[NH+](Cc1ccccc1)C[C@@H](C)O	C[C@@H](O)CN(Cc1ccccc1)C[C@@H](C)O	mol2571	C[C@@H](O)CN(Cc1ccccc1)C[C@@H](C)O
0.29	Hunt	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
10.0	Hunt	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
3.77	Hunt	0	-1	Cc1cc(Br)ccc1C(=O)O	Cc1cc(Br)ccc1C(=O)[O-]	mol2574	Cc1cc(Br)ccc1C(=O)O
4.18	Hunt	0	-1	O=C(O)c1ccc2ccccc2c1	O=C([O-])c1ccc2ccccc2c1	mol36	O=C(O)c1ccc2ccccc2c1
3.97	Hunt	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
9.44	Hunt	1	0	C[NH2+]C[C@H](O)c1ccccc1	CNC[C@H](O)c1ccccc1	mol2576	CNC[C@H](O)c1ccccc1
4.73	Hunt	0	-1	CCC(CC)C(=O)O	CCC(CC)C(=O)[O-]	mol2577	CCC(CC)C(=O)O
0.3	Hunt	0	-1	O=C(O)C(F)(F)F	O=C([O-])C(F)(F)F	mol2578	O=C(O)C(F)(F)F
11.22	Hunt	0	-1	CC(C)(C)S	CC(C)(C)[S-]	mol2579	CC(C)(C)S
6.62	Hunt	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
4.6	Hunt	0	-1	CCCC(CCC)C(=O)O	CCCC(CCC)C(=O)[O-]	mol2581	CCCC(CCC)C(=O)O