C[NH+](CCO)CC1c2ccccc2C(C[N@@H+](C)CCO)c2ccccc21	2
Fc1cccc(Cl)c1CSc1ccccc1C1=[NH+]CCCN1	1
Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(=O)n(C)c1=O	0
C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)N2CCOCC2)C1=O	0
CN1C[C@@H](NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCC1=O	0
CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1	1
NC(=O)CN1CCN(C(=O)CN2CCCNC2=O)CC1=O	0
CN(C)S(=O)(=O)N1CC(Nc2cc(=O)n(C)c(=O)n2C)C1	0
Cn1c(SCC(N)=O)nc2c1c(=O)[nH]c(=O)n2C	0
CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)CC1	0
[NH3+]CCn1cc(C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)nn1	2
Cc1c(C(=O)NCCC[NH+]2CCOCC2)oc2c1C(=NNC(N)=[NH2+])CCC2	2
C[C@@H](CC[NH+](C)C)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1	2
O=C1C[C@@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)CN1	0
NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1	1
CCN(CCCNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)S(C)(=O)=O	0
C[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1	2
NC(=O)CC1(CNC(=O)c2nc3n(n2)CCCN3)CC1	0
CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1	2
CCn1nnnc1SCC(=O)Nc1ccc(Br)cc1	0
CN(CC[N+]1(C)CCCC1)C(=O)[C@](O)(c1ccccc1)c1cccs1	1
C#CCN1CCN(C(=O)CN2CCN(CC(=O)N3CCN(CC#C)CC3)[C@@H](C)C2)CC1	0
CC(C)c1cc(I)ccc1NC(=O)CSc1nc(N)cc(N)[nH+]1	1
C[NH+]1CCCN(c2ncccc2CNC(=O)C[N@H+]2CCC[C@H](O)C2)CC1	2
CC(C)Oc1ccccc1OCCOCC[NH2+]CC[NH3+]	2
COc1cc2[nH]c(C)c(CC[NH+]3CCN(c4ccccc4)CC3)c2cc1OC	1
Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccc2C(F)(F)F)n1	1
CNC(=O)c1ccc(CS(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1	0
COc1cc(C[N@H+]2CCNC(=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCCC1	2
C[NH2+]CCNc1ccc2c3c(nn2CC[NH3+])-c2c(O)ccc(O)c2C(=O)c13	2
COc1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC[NH+](C)C)c2=O)cc1	1
C[NH+]1CCN(CCNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1	2
COC[C@@H](C)S(=O)(=O)N[C@@H]1COC[C@H]1O	0
CC(=O)N1CC(OCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1	0
CNC(=O)Oc1cc(C[NH+](C)C)c(OC(=O)NC)cc1C[NH+](C)C	2
CC[NH+](CC)CCn1nc2c(c1C)c(=O)c1cc(OC)ccc1n2C	1
CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1[NH+]1CCCC1	1
NS(=O)(=O)N1CCC(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1	0
CN1CC[C@@H](C(=O)NCCCNS(C)(=O)=O)CC1=O	0
CN(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CN1C(=O)C(=O)c2ccccc21	0
C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)S(N)(=O)=O	0
CN1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NS(C)(=O)=O)CN32)CC1	0
O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCOCC1	2
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(N(CCO)CCO)cc1	2
C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	0
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H](C1CC1)[NH+]1CCCC1	2
C[NH+](C)C[C@@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)C[NH+](C)C)C(=O)C2(C)C)C(C)(C)C1=O	2
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c1[nH]c1ccccc12	1
CC(C)C[N@H+]1CCN(c2nc(N(C)C)nc3c2CC[NH2+]C3)C[C@@H]1CCO	2
COCC(=O)N1CCN(S(C)(=O)=O)C[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	0
C[N+]1(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CCOCC1	1
CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(N)=O	0
CN1CCN(Cc2ccc3[nH]cc(CC[NH+](C)C)c3c2)S1(=O)=O	1
C=CCn1c(-c2cccnc2)nn([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)c1=S	0
O=C(NCCO)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1	0
CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1)C1CC[NH+](C)CC1	2
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)cc2c1	0
CN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2cccnc2)C1=O	0
Nc1nc(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I	0
O[C@@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1	1
C[NH+]1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)CC1	1
Cc1n(C)c2ccccc2[n+]1CCOCC[n+]1c(C)n(C)c2ccccc21	2
CNS(=O)(=O)NCC(=O)N[C@@H]1CCC(=O)N(C)C1=O	0
COCCN(C)CCNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)C	2
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)CNC(=O)C[NH3+])cc2)cc1	1
[NH3+]CCCC[C@H]([NH3+])c1nnc([C@H](CC(=O)[O-])NC(=O)C2CC[NH2+]CC2)o1	2
NC(=[NH2+])c1ccc(OCCC[C@H](O)COc2ccc(C(N)=[NH2+])cc2)cc1	2
COc1ccc(-c2noc(C[N@@H+](C)CC3CC[NH+](CC(C)C)CC3)n2)c(OC)c1OC	2
C[N@@H+](CCNC(=O)NCCCC[NH+]1CCOCC1)Cc1ccccc1	2
Cc1c(CCC(=O)N[C@H](CC[S@@](C)=O)C(=O)[O-])c(=O)oc2cc(O)ccc12	-1
COCC(=O)N1CCN(CCc2c[nH]c(=O)n(C)c2=O)[C@H]2CS(=O)(=O)C[C@H]21	0
COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1	1
COc1cc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cc(OC)c1OC	2
COc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1	1
Nc1[nH+]c2ccccc2n1CCOc1ccc(Br)cc1	1
O=C(CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	1
C[N+]1(CC#CCOC(=O)CCCC(=O)OCC#CC[N+]2(C)CCCCC2)CCCCC1	2
Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1	0
NC(=O)COc1cc(OCC(N)=O)c2c3c(c(=O)oc2c1)CCCC3	0
CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(C)=O	2
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)O)CC2)CC1	2
C[C@@H](Cc1ccccn1)NC(=O)C1CC[NH+](C2CC[NH+](C)CC2)CC1	2
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1	3
COc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc(OC)c1	1
Cc1cc(/C=C/c2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)on1	1
CC[N@@H+](C)CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	2
C[N@H+]1CCC[C@@H](OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1	1
COc1ccc(OC)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1	1
CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCC(=O)NC(C)(C)C	2
C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1=O	1
NC(=O)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1	0
O=C(C[NH+]1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccccn1	1
O=C(N[C@@H]1C[NH2+]CCC[C@H]1O)c1ccc(OCC[NH+]2CCCC2)cc1	2
Nc1nonc1C(=O)OCC(=O)Nc1ccccc1	0
COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCC(O)(Cn3cc[nH+]c3C)CC1)c(C)n2C	2
COc1ccc([C@@]2(O)CN3C(=[N+]2Cc2ccccc2)CCc2ccccc23)cc1	1
Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1	1
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(N2CCNC(=O)C2)ccn1	1
[NH3+]CCOc1ccc2oc3ccc(OCC[NH3+])cc3c(=O)c2c1	2
N/C(=N\O)c1cc[n+](CCCC[n+]2ccc(/C(N)=N/O)cc2)cc1	2
CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CC[NH+](C)CC3)nc2)C1	2
CN1C(=O)C[C@@H](NC(=O)CSCC(=O)N[C@@H]2CC(=O)N(C)C2=O)C1=O	0
N=C(NC(=O)CCCCC[NH3+])NC(=O)CCCCC[NH3+]	2
C[NH+](C)CCCOc1ccc(OCCC[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	2
C[C@@H](C[NH+](C)C)Oc1ccc(O[C@@H](C)C[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	2
O=C(c1nc2ccccn2c1C[NH2+]CC1CC[NH+](CCO)CC1)N1CCCC1	2
CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3-c3ccccc3)CO[C@H]12	-1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCC([NH+]2CCNCC2)CC1	3
C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1CCO	0
CCN1C(=O)C[C@H]([NH+]2CCC(C3CC[NH+]([C@H]4CC(=O)N(CC)C4=O)CC3)CC2)C1=O	2
CNC(=O)C[C@@]1(O)CCCN(C(=O)C(=O)N2CCN(CCOC)CC2)C1	0
CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4cnn(C)c4)CC3)cc2)CC1	2
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1	2
CCOC(=O)c1c(NC(=O)CN(C)C2CC[NH+](C)CC2)sc2c1CC(C)(C)[NH2+]C2(C)C	2
CN1CCO[C@@H]2CN(C(=O)C(=O)NCCCN3CCCS3(=O)=O)C[C@@H]21	0
C=C(NC(=O)C(=C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)C(=C)NC(=O)c1cscn1)C(N)=O	0
CNC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1C(C)C	2
C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc(N2CC[NH+](C)CC2)nc1	3
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1	3
COCCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	2
CNS(=O)(=O)NC1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1	0
CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)CC1	3
OC[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](CO)C3)cc2)C1	2
COc1ccc(C(=O)CC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1OC	1
O=C([O-])c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)ccc1Cl	-1
CN(CC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)S(C)(=O)=O	0
CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OC(F)F	0
COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC[C@@H](O)C[NH+]1CCCCC1	2
C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1	2
COCCOCCNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1	0
CN1CC[NH2+]C[C@@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	3
Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+](C)C)c1C	1
Cn1c(=O)n(-c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)c(=O)n1C	-1
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/n2cnnc2)cc1	0
CN(C)S(=O)(=O)NCC(=O)NCCn1cccc1	0
CC(=O)Oc1ccccc1C(=O)OCc1cccc(CO[N+](=O)[O-])n1	0
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC	2
NC(=O)NC(=O)CCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1	0
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](C)n3ncc(Cl)c3C)[C@H]2SC1	-1
CCOc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(C)CC3)=N2)cc1	0
C[N+](C)([NH3+])CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	2
CC1(C)SC[C@@H](C(=O)Nc2nncs2)N1C=O	0
[NH3+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)[O-]	0
CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc2)CC1	2
O=C(CCN1C(=O)N[C@H]2CS(=O)(=O)C[C@@H]21)N[C@@H]1CCS(=O)(=O)C1	0
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3Cc1ccc(OC)c(OC)c1	1
CCCn1ncc(CN2CCO[C@@H](CC[NH+](C)C)C2)c1C	1
CCn1nccc1CN(CCO)C(=O)C(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1	0
CCCc1nnc2c(N3CC[NH+](C)CC3)nc3ccc(Cl)cc3n12	1
CCN(CC)C(=O)[C@@H]1C=C(c2ccccc2)C=C[NH+]=C1N(CC)CC	1
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1	2
CC[NH+](CC)CCCNC(=S)NCCC[NH+](CC)CC	2
CC1(C)CC(=O)C(=NNc2cc(C(N)=O)cc(C(N)=O)c2)C(=O)C1	0
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)N1CCOCC1	-1
C[NH+](C)CCNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCC[NH+](C)C)ccc1-2	2
CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1=O	0
N#CC(CCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1)(c1ccccc1)c1ccccc1	1
FC(F)(F)c1ccccc1COCC1(c2ccccc2)CC[NH2+]CC1	1
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(N)(=O)=O)CC2)cc1	0
C[N+]1(CCNC(=O)C(=O)NCC[N+]2(C)CCCCCC2)CCCCCC1	2
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O	1
O=C(C[N+]12CC[N+](CC(=O)Nc3ccc4c(c3)OCCO4)(CC1)CC2)Nc1ccc2c(c1)OCCO2	2
O=C(c1ccc2c(c1)no[n+]2[O-])N(CCO)CCO	0
Cc1cc(NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cn(C)c1=O	0
COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+](C)C1CCCCC1	1
Cc1[nH+]ccn1CCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1	2
O[C@@H]1CCC[N@@H+](CCCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)C1	2
CCS(=O)(=O)NCCS(=O)(=O)NCCO	0
C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)CC1	2
C=CC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)OC)CC2)cc1	2
C[NH+](C)CCC(=O)c1ccc(C(=O)CC[NH+](C)C)cc1	2
CC(C)[NH+]1CCC(N2CC[N@@H+](CCCn3cccn3)C[C@@H]2CCO)CC1	2
Cc1cccc(C[N@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1	2
CSc1ccc([C@@]2(O)Cc3cccc[n+]3[C@@H]2c2ccccc2)cc1	1
C[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)(N2CCOCC2)CC1	2
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCNCC1)C(=O)NN(CC(N)=O)C(=O)/C=C/C(=O)OCc1ccccc1	0
CS(=O)(=O)N1CCN(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1	0
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CS(=O)(=O)NC(C)(C)C	0
CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC[N@H+]1CCOC	1
[NH3+]CCCC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	2
Cc1ccc2c(c1)O[C@H]1[C@H](NC(=O)CCN3CC[NH+](C)CC3)C(=O)CC[C@@]21C	1
C[NH+]1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1	1
CC[NH+](CC)CCCCCOC(=O)N1CC[NH+](C)CC1	2
CS(=O)(=O)N1CCN(S(=O)(=O)NCCNC(=O)c2cnccn2)CC1	0
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O	2
O=c1ccc(=O)n(-c2ccccc2)n1CCC[NH+]1CCC2(CC1)OCCO2	1
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1	1
COc1cc2c(cc1OC)C[N@@H+](CC[C@@H](C)c1ccc(Cl)cc1)CC2	1
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(S(=O)(=O)[N-]C(N)=O)cc3)C2=O)cc1	-1
CCOc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(F)cc4)c3n2)c1[O-]	-1
CNS(=O)(=O)NCC(=O)NCC(=O)NCc1ccco1	0
COc1ccccc1-n1cc(-c2ccccc2)[n+]2c1SC[C@@]2(O)c1ccccc1	1
COc1ccc2c(c1)C(CC[NH+](C)C)(CC[NH+](C)C)C(=O)CC2	2
O=c1cnn2c(=O)/c(=C\c3ccccc3Cl)sc2n1	0
Cc1cc(C)c(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)c(C)c1	1
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N1CCOCC1)N1CCOCC1	0
N=C(CC[S@](=O)Cc1csc(NC(N)=[NH2+])n1)NS(N)(=O)=O	1
[NH3+]CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1	2
CNS(=O)(=O)Cc1ccc2[nH]cc(CCC[NH+]3CCN(c4ncncc4OC)CC3)c2c1	1
C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1	2
COc1cc(N)c(Cl)cc1C(=O)CCC1CC[NH+](CCNS(C)(=O)=O)CC1	1
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1	1
C[NH+]1CCN(c2nccc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3CCO)n2)CC1	2
COC(=O)NCCC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)NC1=O	1
C[NH+](C)Cc1ccccc1Sc1ccc(Br)s1	1
CC(C)NS(=O)(=O)CCNC(=O)NC1CCN(S(C)(=O)=O)CC1	0
CC[NH+](CC)CCn1c(=N)n(C[C@@H](O)c2ccc3c(c2)OCO3)c2ccccc21	1
CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](CCn2cccn2)CC1	1
O=C(N[C@H]1CSSC[C@@H](C(=O)[O-])NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C1CC[NH2+]CC1	0
NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C[C@@H]1C(=O)N=CN1C(=O)[C@H]1C[NH2+]CCS1	1
O=C(CC[n+]1ccccc1)OCCOC(=O)CC[n+]1ccccc1	2
NS(=O)(=O)c1ccc(Nc2ccnc(NC(=O)CNC(=O)C[NH3+])n2)cc1	1
CCN(CC(=O)NC(N)=O)[C@@H](C)CS(C)(=O)=O	0
CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(S(N)(=O)=O)CC1	0
Nc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1	0
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(OCC(N)=O)c1	0
CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@H+]3CCCCC[C@H]3c3ccccc3)[nH]2)c1	1
COc1ccc2c(c1)CN(C(=O)CC[NH+]1CCC(Cc3ccccc3)CC1)CCS2	1
Cc1cc(C)n2c(NC(C)(C)C)c(-c3ccc(F)cc3)[nH+]c2c1	1
Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2C[C@@H](O)COc1ccccc1	1
CCOC(=O)c1c(NC(=O)CSc2nc(N)cc(=O)[n-]2)sc2c1CCCC2	-1
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCOCCOC	0
CCn1c[n+](C[C@@H](O)COCc2ccccc2)c2ccccc21	1
C[C@@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)S(N)(=O)=O	1
CCN(C)S(=O)(=O)NCCCNS(=O)(=O)CC	0
CCN1C[C@@H](C(=O)N2CCC[C@@](O)(C(N)=O)C2)CC1=O	0
CN(C)N1C(=O)C[C@@H](N2CCN([C@@H]3CC(=O)N(N(C)C)C3=O)CC2)C1=O	0
CS(=O)(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccn3)CC2)[C@H](O)[C@@H]1O	0
CC(C)C[C@@H](NC(=O)[C@@H](CS)NC(=O)CN1C(=O)CCC1=O)C(N)=O	0
COc1ccccc1-c1[nH+]c2ccccn2c1NC1CCCCC1	1
CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C[N@H+]2C[C@H](C)O[C@H](C)C2)CC1	2
Cc1cccc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C	2
C[NH+]1CCC(O)(C[NH2+]C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1	2
CN1c2cc(F)ccc2C(c2ccccc2)=[NH+]C[C@@H]1CNC(=O)c1ccoc1	1
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COc2ccccc2O1	2
CC1(C[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)COC1	2
C[C@@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)[C@H](C)CN1CCO	0
C[N+](C)(C)CCOc1ccc(=O)n(CC[N+](C)(C)C)n1	2
[NH3+]CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1	1
COCCNc1nc(NC[C@@H]2C[C@H](O)C2)nc(NC[C@@H]2C[C@H](O)C2)[nH+]1	1
CCOC(=O)c1oc2ccccc2c1NC(=O)CC[NH+](CC)CC	1
CCOC[C@@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	2
OCC[N+]1(CCOCC[N+]2(CCO)CCOCC2)CCOCC1	2
CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CCOC)C1	0
O=C1CN(CC(=O)N(CC2CC[NH+](C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)N=[O+]1	2
CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCCCC1	2
CSCC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(N)=O	0
CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(N)=O)O[C@H](C)C2)C1	0
CCOc1ccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3C)CC2)cc1OC	2
CCN(C(=O)C1(S(N)(=O)=O)CC1)C1CN(C(=O)C2(S(N)(=O)=O)CC2)C1	0
CNC(=O)Cn1cc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn1	1
FC(F)(F)c1ccccc1CNC1CC[NH+](Cc2ccccc2)CC1	1
CCCOCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	2
O=C1CN(S(=O)(=O)CCCS(=O)(=O)N2CCCn3ncnc32)CCN1	0
CSCCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	2
COCCNC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3nccn3C)O[C@@H]2[C@@H]1O	0
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2	2
NC(=O)CN1CCN(C(=O)[C@@H]2CC23CCOCC3)CC1=O	0
C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1	2
CN1C(=O)CN(CC(=O)N2CCN(Cc3nnc[nH]3)CC2)C1=O	0
c1ccc(-c2cc(NCC[NH+]3CCCCC3)c3ccccc3n2)cc1	1
NC(=O)[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCO1	1
C[C@]1(NC(=O)CN(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C2CC2)CCS(=O)(=O)C1	0
C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@@H+](Cc3ccc(O)cc3)C2)CC1	2
CCc1nc(C)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1Cc1ccc(C)cc1	0
COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2=O)cc1	1
CCOC(=O)CC12CN(C)CC(CC(=O)OCC)(C[NH+](C)C1)C2=O	1
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CC[NH+](C)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1	1
C[NH+](C)CCNC(=O)N1CCN(c2ccccc2Cl)CC1	1
CNc1nc(NCC2=CC[N@@H+](C)CC2)nc(NCC2=CC[NH+](C)CC2)[nH+]1	3
COc1cc(C[NH2+]CCOC(C)C)ccc1OC[C@@H](O)C[NH+]1CCCC1	2
COc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(OC)c1OC	2
CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CN1CCCS1(=O)=O	0
Cn1cc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)c(-c2ccccc2)n1	2
CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)CC1	1
C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)CC1	2
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	0
CCOC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1	0
CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CNC(Nc2ccccc2)=NC1=O	2
NC(=O)C(Sc1nc2ccccc2nc1SC(C(N)=O)C(N)=O)C(N)=O	0
CN1CCN(C)[C@@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C1	0
COc1ccc(-n2c(SC)nc3nc(SC)n(C)c3c2=O)cc1	0
Cc1nn(C)cc1CC(=O)N1CCN(CC(N)=O)C(=O)C1	0
O=C(CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1	1
Cc1ccc([C@@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1	1
CC(=O)NCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1	0
O[C@@H](C[NH2+]C[C@H]1CCCO1)Cn1c2ccccc2c2ccccc21	1
CN(C(=O)CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCCC1	1
COCC[NH+]1CCC(C[N@H+](Cc2nc(C(C)C)cs2)C[C@H]2CCCO2)CC1	2
CC(=O)c1ccc2c(c1)N(CCC[NH+]1CCC(CCO)CC1)c1ccccc1S2	1
CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C3CC3)C(=O)C2)CC1	0
CC[N@H+]1CCO[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1	3
CN1CCN(C[C@@H]2CN(C(=O)Cn3ccc(=O)n(C)c3=O)CCO2)CC1	0
COC(=O)/C=C/C(=O)NC[C@@H]([NH3+])C(=O)NCC(=O)[O-]	0
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1	2
CCOC(=O)C[C@@H]1CC2=[N+](CCc3cc(OC)c(OC)cc32)C[C@@H]1CC	1
CN(C)S(=O)(=O)NCCNC(=O)NCc1cc(S(N)(=O)=O)ccc1F	0
CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(CCO)CC1	0
CC(C)(C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1	1
CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	1
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C	3
Cn1nnc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1	0
CCC(=O)Nc1ccccc1-c1nnn(CC(N)=O)n1	0
COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccoc2)CC1	2
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(CC(N)=O)CC1	0
CC[NH+](CC)CCn1c(=N)n(CC(=O)c2ccco2)c2ccccc21	1
CC[NH+](CC)CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@]2(C)NC(=O)c2ccccc21	2
O=C(CI)NCCCCC(=O)Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	0
CCn1cc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cn1	2
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](O)[C@H](CO)O2)cc1F	0
CCS(=O)(=O)N1CCN(C(=O)c2cn(C)nc2C(=O)N2CCN(S(=O)(=O)CC)CC2)CC1	0
COc1ccccc1-c1nnc(SCC[NH+]2CCCCC2)n1C	1
C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1	2
COCC[NH2+]CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1	3
C[NH+](C)CCCNCC(=O)N1CCN(C(=O)CNCCC[NH+](C)C)CC1	2
CCS(=O)(=O)NCCS(=O)(=O)N(C)CC(=O)NC	0
CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C2	0
CC[NH+](CC)C[C@@H](O)COc1cc(CN2CC[NH+](C)CC2)ccc1OC	2
C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1	2
COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1	3
C[NH+](C)CCOc1ccc(NC(=O)CNC(=O)C[NH3+])cc1	2
O=S(=O)([O-])CCC[NH2+]C(CO)(CO)CO	0
Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH+](CCc2ccccc2)CC1	1
CNC(=O)C1(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CCC1	0
CC(=O)Nc1c(O)nc(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)[nH]c1=O	0
O=C1C[C@@H](NC(=O)C2(O)CNC2)CN1CCN1CCOCC1	0
CN(C)c1cc(C[NH2+]CCS)nc(C[NH2+]CCS)c1	2
COc1cc(C(=O)NCCCn2cc[nH+]c2C)ccc1OC1CC[NH+](C)CC1	2
CN1C(=O)C(=O)N(CC(=O)NCCS(=O)(=O)N2CCSCC2)C1=O	0
C[NH+](C)CCCn1c(=[NH2+])n(C[C@@H](O)C(C)(C)C)c2ccccc21	2
O=C1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCN1	0
CCO[C@@H]1COCC[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	1
C[NH+](C)CCN1CC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)OC1=O	1
O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC(N2CC[C@@H](O)C2)C1	1
COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC	1
Cc1c(C(=O)CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cnn1CCO	1
COCCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1	1
Cn1cc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(=O)n(C)c1=O	0
CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1	0
N#[N+]CC(=O)[C@@](C[NH3+])(Cc1ccccc1)c1ccc(Cl)cc1	2
CN1CC[NH2+]C[C@@H]1CNC(=O)CNS(=O)(=O)c1cn(C)cn1	1
O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCN(CC(=O)N2CCOCC2)CC1	0
CC(C)NS(=O)(=O)CCNC(=O)N1CCN(CCS(N)(=O)=O)CC1	0
CS(=O)(=O)N1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1	0
CN(C)S(=O)(=O)CCNC(=O)N(CCO)CCN1CCOCC1	0
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	1
NC(=O)c1c(Br)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(N)c12	0
C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)C(C)(C)[NH3+])CC1	2
COc1cc(C[NH2+]Cc2[nH]nc3c2CCC3)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	2
Cc1cnn(CCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1	0
CN1CCC(O)(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1	0
O=C1C[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CN1CCN1CCOCC1	1
CCN(CC)C(=O)c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1	1
CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+](C)CCCC[NH+]1CCOCC1	2
O=C(OCC[NH+]1CCCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1	1
CS(=O)(=O)N1CCN(S(=O)(=O)NCCOC[C@@H]2CCCO2)CC1	0
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1	1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1	3
CCOc1c(Br)cc(C[NH2+]CCC[NH2+]C)cc1OC	2
COCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1	1
CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[N@@H+](C)[C@@H](CCO)C3)cnn2c1	2
CNS(=O)(=O)NCCC(=O)N1CCN(C(C)=O)CC1	0
CC[NH2+]Cc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1	2
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](C3CCN(C)CC3)CCC[C@H]2O)cc1	1
CN(C)S(=O)(=O)N1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1	0
C[C@@H](CN1c2ccccc2S(=O)(=O)c2ccccc21)C[NH+](C)C	1
C[C@@H]([NH2+]CC(=O)NCCNC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1	2
CCCN(C)S(=O)(=O)NCCCNS(C)(=O)=O	0
Cc1cc(O)c2c(=O)c3ccoc3c(OC[C@H](O)C[NH2+]C(C)C)c-2o1	1
CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	0
CC(C)[C@@H](C(=O)ON1C(=O)CCC1=O)N1C(=O)c2ccccc2C1=O	0
Cn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)N2	0
CN(CCS(=O)(=O)N(C)C)CC(=O)N1CCNCC1	0
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCN1CCOCC1	0
Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3cccnc3)cc12	0
Clc1ccc(COc2ccccc2C[NH2+]Cc2cccnc2)cc1	1
CNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1	0
COC[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1	0
CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1	2
O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21	1
CC[C@H](NC(=O)C(=O)N(C)CCNC(=O)N(C)C)C(=O)N1CCOCC1	0
COc1ccc(C(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1	0
CCN1C[C@H](S(=O)(=O)NC[C@@H](O)CN2CCOCC2)CC1=O	0
CC1(C)CC(Nc2ncnc3sc4c(c23)CCCC4)CC(C)(C)[NH2+]1	1
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21	1
Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1	2
Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCC[NH+](C)C)c1C	2
COCCCNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC	0
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)cccc1Cl	2
CC[NH+](CC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21	1
CCOC(=O)c1sc(NC(=O)CSC2=NC(=O)C(NC(C)=O)C([O-])=N2)nc1C	-1
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(S(N)(=O)=O)c1	2
C[NH2+]CCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1	2
CCOc1ccc(Cc2c(SC(N)=[NH2+])ncnc2SC(N)=[NH2+])cc1	2
C[NH+](C)CCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3	1
C[C@H](NS(C)(=O)=O)C(=O)NCCN1CCO[C@H](C)C1	0
C[NH+](C)Cc1cccc(O[C@@H]2c3ccccc3CSc3ccccc32)c1	1
Fc1ccc([C@H](OCC[NH+]2CCCC2)c2ccc(Br)cc2)cc1	1
CS(=O)(=O)Nc1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1	1
COc1ccc(CC[N@H+](Cc2cccc3nonc23)CC2CC[NH+](C)CC2)cc1	2
O=C(NCCN1CCOCC1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1	0
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCC(=O)N2CCOCC2)cc1	2
C[N@@H+](Cc1cc(Br)cc(Br)c1N)C1CCCCC1	1
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1	0
NC(=O)CN1CCN(C(=O)c2ccnn2CC(F)F)CC1=O	0
C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CC(N)=O)CC2)C[C@@H](C)O1	0
C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCC(N)=O	2
CN1CCO[C@@H](CS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1	2
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccc(Br)o2)C1C(=O)OCC	1
O=[N+]([O-])c1ccc(-c2ccc(/C=[NH+]/[C@@H]3C[C@H]3c3ccccc3)cc2)cc1	1
CN(C/C=C/C[N@@H+](C)CC(=O)NC1CC1)CC(=O)NC1CC1	1
CC[NH+](CC)CCOC(=O)[C@@H](C[NH2+]Cc1ccccc1)c1ccccc1	2
C=CCc1cc(OC)ccc1OCCOCC[NH2+]CC[NH3+]	2
C[NH+](CC(=O)NCCNC(=O)C[N@H+](C)C1CCCCCC1)C1CCCCCC1	2
C=C(C)CC[C@@H](C)[N@@H+]1CCC(=O)N(CC[NH+]2CCCCC2)CC1	2
CC(=O)Nc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)cc1	0
COC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)coc2c1	0
NC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1	2
CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	0
C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC1=O	1
Cc1ccccc1NC(=O)C[N+]12CC[N+](CC(=O)Nc3ccccc3C)(CC1)CC2	2
COC(=O)COCC(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1	0
CC[n+]1c(/C=C/N(C)c2ccccc2)sc2ccc(OC)cc21	1
CN(C)C1(CNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1	0
CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1	0
NS(=O)(=O)C[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O	1
CCN(CC)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([NH+](CC)CC)C3=O)cc2)C1=O	1
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)c(C)c3Br)[C@@H]2SC1	-1
CCS(=O)(=O)NCCS(=O)(=O)N1CCN(C(=O)CN(C)C)CC1	0
COc1ccc(S(=O)(=O)NCC(=O)NCc2cc(=O)n(C)c(=O)n2C)cc1F	0
CC1CC[NH+](CC(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3cccnc32)CC1	2
CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3cc(-c4ccccn4)nn3C)CC2)CC1	2
[NH3+][C@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)[O-])cc(=O)c-4c-3[nH]c12)C(=O)[O-]	-1
O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1	1
COCC[NH2+]C1CCN(C(=O)NCCN2CCNC(=O)C2)CC1	1
COCCNC(=O)C1(NC(=O)Cn2nc3n(c2=O)CCCC3)CC1	0
CC#CC(=O)N(CC1CC[NH+](CCOC)CC1)C[C@@H]1CCC[N@@H+]1CC	2
CC[NH+](CC)CCNc1nc(NCC[NH+](CC)CC)c2c[nH]nc2n1	2
CC(C)[NH2+]CCC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1	2
CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CN	0
C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)S(C)(=O)=O	0
O[C@@H](COc1ccccc1CN1CC[NH+](CC2CC2)CC1)C[NH+]1CCSCC1	2
Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1	1
CN1CN(S(=O)(=O)CCCS(=O)(=O)N2CC(=O)N(C)C2)CC1=O	0
COc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1	1
O=C(CN1C2=[NH+]CCCN2c2ccccc21)c1ccc(F)cc1	1
Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)cc1	2
O=C1Cc2ccccc2Sc2c(OCC[NH+]3CCCCC3)cccc21	1
C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@H+]2CCNC(=O)CC2)cc1	2
Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NCN(CC1CCC1)S2(=O)=O	1
CC(=N/NC(=S)NCC[NH+]1CCCC1)/C(C)=N/NC(=S)NCC[NH+]1CCCC1	2
CNS(=O)(=O)NC1CCN(C[C@@H](O)C[N@H+]2C[C@H](C)O[C@H](C)C2)CC1	1
O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccccc1Oc1ccccc1	0
CC(CNS(C)(=O)=O)CNS(C)(=O)=O	0
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1	-1
CC(=O)N1CCC(N2CC3(C2)C(=O)N(CCCN2CCCC2=O)C(=O)[C@@H]2C[C@@H](O)CN23)CC1	0
C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N2CC(=O)N[C@H](C)C2)CC(=O)N1	0
Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C	1
Cn1nnnc1SCC(=O)NC1Cc2ccccc2C1	0
CC(C)[N@@H+](C)CCCCNS(=O)(=O)CC1CC[NH2+]CC1	2
CN1CCC([N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)CC1	1
CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1	1
Cn1cnn(CCC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1=O	0
NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(CC[NH3+])nc3ccccc23)CC1	2
C[N@H+]1CCCC[C@@H]1COC(=O)C1(O)c2ccccc2CCc2ccccc21	1
CNS(=O)(=O)[C@@H]1CCN(CC(C)C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1	1
C[NH+](C)CCNC(=O)c1cn(CC[NH+](C)C)c(=O)c2cc3ccccc3nc12	2
C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1cccc2ccccc12	1
Cn1c([C@](O)(CC[NH+](C)C)c2ccccc2)nc2ccccc21	1
O=C(NCc1cccc(CNC(=O)c2ccccn2)c1)c1ccccn1	0
C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[NH+]1CCN(CCO)CC1	2
CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H]2C[NH2+]CCOC2)c1	1
COc1cc([N-]S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)ccc1OCC(=O)N1CCOCC1	-1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1	2
Clc1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nn1	1
[NH3+]C1(CCCCCCCCCCC(=O)[O-])CNCC[NH2+]CC[NH2+]CCNC1	2
CC[C@H](C(=O)OC)n1cnc2scc(-c3ccc(C)cc3)c2c1=O	0
C[NH+](C)CCN1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1=O	1
O=C1NCN(c2ccccc2)C12CC[NH+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2	1
Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCOCC1	0
O=C(N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccco1	0
CN1CCO[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1	1
Cc1ccc(-c2c[n+]3ccccc3n2-c2ccc(Br)cc2)cc1	1
Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)CC1	2
CC[NH+](CC)CCOC(=O)C(C(=O)OCC[NH+](CC)CC)C1CCCC1	2
O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1	0
Cc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1[N+](=O)[O-]	0
Cc1ccc(S(=O)(=O)n2cnc([N+](=O)[O-])n2)cc1	0
CN(C)S(=O)(=O)N1CC(NS(=O)(=O)CCCN2CCOCC2)C1	0
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ncc[nH]2)CC1	2
C[NH+](C)CCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21	1
C[C@@H](NC(=O)c1ccco1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	2
CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](CO)C2)CC1	1
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1NC(=O)c1ccc(Cl)cc1	1
C[NH+](C)CCO[C@H](c1ccccc1)c1ccc(Br)cc1	1
COc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	2
CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	0
COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CC[NH+](CC(C)C)CC3)cc1	2
CC(C)CS(=O)(=O)c1ccc([C@@]2(O)C[N+](C)(CCO)CCO2)cc1	1
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1	1
COC(=O)CNC(=O)COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1	-1
Cc1ccc2[nH+]c(-c3ccc(Cl)cc3)c(NC[C@@H]3CCCO3)n2c1	1
COC(=O)CCN(C)S(=O)(=O)N1CCOC[C@@H]1CNS(C)(=O)=O	0
N=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@@H](O)c1ccco1	1
CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1	2
CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CC[NH+]([C@H]3CCc4cc(C#N)ccc4C3)CC1)O2	1
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CCO)CC1	3
O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)NC[C@@H]1COCCN1	0
Nc1nonc1-n1nnc(C[NH2+]C2CCCCC2)c1C[NH2+]C1CCCCC1	2
Nc1c(Br)cc(Br)cc1C[NH2+]C1CCC(O)CC1	1
C[C@]1(O)COC2(CCN(C(=O)[C@H](N)CC(N)=O)CC2)C[C@@H]1n1ccc(=O)[nH]c1=O	0
COCc1cc(OC(=O)N(C)C)nc2c1c(-c1cccs1)nn2C	0
CCOC(=O)[C@H]1[C@H](c2ccco2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(C)O	0
COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2cnn(C)c2)CC1	2
Fc1ccc(-c2[nH]cc(C3=C[C@@H]4CCC[N@H+]4CC3)c2-c2ccncc2)cc1	1
CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1	0
CN(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CN(C)S(C)(=O)=O)S(C)(=O)=O	0
CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@](C)(C(=O)OC)C2)CC1	1
CC(=O)CC(=O)N(CCC[N+](C)(C)C)CCC[N+](C)(C)C	2
CN1CCN(C[C@@H]2CN(C(=O)C(=O)N3CCN(C)C(=O)C3)CCO2)CC1	0
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)no1	0
C[NH+](C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1	2
CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(cccc13)C(=[NH2+])N2	1
CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CN(C)CCO3)C2)CC1	1
CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1	2
CCOC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C	1
Cc1ccc2c(c1)[C@@H](OC1CC[NH+](C)CC1)c1ccccc1CS2	1
CCOC(=O)CC(=O)CN1C(=O)c2ccccc2C1=O	0
CCOC(=O)N1CCC([NH2+]Cc2cc(OC)ccc2OC[C@@H](O)C[NH+](C)C)CC1	2
C[NH+]1CCC(N2CC[N@@H+](Cc3cccc4nonc34)C[C@@H]2CCO)CC1	2
Cn1c(=O)c2c(ncn2C[C@@H](O)C/[NH+]=C/N2CCCCC2)n(C)c1=O	1
CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1	0
COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1S(=O)(=O)N1CCOCC1	-1
CN1C(=O)C(=O)N(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1=O	1
CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)CC1	2
NS(=O)(=O)c1ccc(NCC(=O)N2CCNCC2)c([N+](=O)[O-])c1	0
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N1CC[NH2+]CC1	3
C[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@H+](C)Cc3cccc(Cl)c3)cc2)CC1	2
CC(=O)c1sc2nsc(SCC[NH+]3CCCCC3)c2c1N	1
CCOC(=O)c1cc(CC)sc1NC(=O)CC[NH2+]C(C)(C)C	1
C[N@H+](Cc1nc(-c2cnccn2)no1)CC1CC[NH+](Cc2ccccc2)CC1	2
CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1	2
CC[NH+](CC)CCN(C)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O	2
CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCn3cccn3)C2)CC1	2
O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]	-1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CC[NH+](C)CC1	3
CCCN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1ccccc1F	1
COCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)[N@@H+]2C1	1
O=C(C[N@@H+](CCO)CC1CC1)NCC1([NH+]2CCOCC2)CCCCC1	2
C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc(N4CCOCC4)c3)C[C@@H]2CO)CC1	2
[NH3+][C@@H]1CCCCN(CC(=O)NCCS(=O)(=O)N2CCSCC2)C1=O	1
CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	1
O=C(CN1CCCC1=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	0
OC[C@@H](O)C[NH2+]CCNc1c2ccccc2[nH+]c2cc(Cl)ccc12	2
COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc(N)c2cc1OC	1
CC(C)NC(=O)CN(C)CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	0
CCN1[C@H]2OC(C3O[C@@H]4[C@@H](O3)N(CC)S(=O)(=O)N4CC)O[C@@H]2N(CC)S1(=O)=O	0
C[NH+](C)CCNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1	2
C[C@@]1(CC(=O)c2ccccc2)Cn2c(=O)c3cccc4cccc(c2=[O+]1)c43	1
CC[NH+]1CCC(Nc2nc(NC)[nH+]c(NC3CC[NH+](CC)CC3)n2)CC1	3
CNC(=O)CN1CCC(NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC1	0
[NH2+]=C(NCCC[NH+]1CCCC1)NCCc1ccc(Cl)cc1	2
O=C(CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)NCCN1CCOCC1	1
N#Cc1ccc(N2CC[NH+](C3CCC4(CC3)OCc3ccccc34)CC2)cc1F	1
Nc1cccc(C[C@H]2C[NH2+]C[C@H]2N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	2
CCS(=O)(=O)NCC(=O)N[C@@H](C)C(=O)N(C)C	0
CC(C)[NH+]1CCN(C(=O)CCNc2nc(CC[NH3+])nc3ccccc23)CC1	2
CCOC(=O)C1=C(C[NH+](CC)CC)N(C)C(=O)N[C@@H]1c1ccccc1	1
CN(CC(=O)NC1CC1)C(=O)CN1CCNC(=O)C1	0
C#CC1(OC(=O)CCCCC(=O)OC2(C#C)CC[NH+](C)CC2)CC[NH+](C)CC1	2
O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CCNCC2)C1	1
NC(=O)c1ccc[n+](CCCC[n+]2cccc(C(N)=O)c2)c1	2
COc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N(C)CC[NH+](C)C)[C@H]1O	2
O=S(=O)(N[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)N1CCOCC1	0
C[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(COc3ccccc3)on2)CC1	2
Cc1nc2ccc(C(=O)CCC3CC[NH+](Cc4ccccc4)CC3)cc2s1	1
CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O	0
CS(=O)(=O)N1CCN(C(=O)Cn2c(=O)c(F)cn([C@@H]3CCCO3)c2=O)CC1	0
C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC2)CC1	0
C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)C[C@@H](C(N)=O)O1	0
O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1C[NH2+]C[C@@H]1O	1
C[C@@H](NC(=O)C1=C[C@@H](NC(=O)CS(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)C1)C(N)=O	0
CC[N@H+]1CCCCCCC[C@H](NC(=O)c2cc3n[nH]nc3cc2OC)C1	1
COc1ccccc1N(C[C@H](O)C[NH+]1CCC(C)CC1)S(=O)(=O)c1ccccc1	1
COc1nc(=O)c(C)cn1[C@@H]1C[C@@H](O)[C@H](CO)O1	0
O=C(Nc1ccc2c(c1)C(=O)N(CCC1CC[NH+](Cc3ccccc3)CC1)C2=O)c1ccccc1	1
Cn1c(=O)c2c(ncn2CC[NH+]2CCC(c3c[nH]c4ccccc34)CC2)n(C)c1=O	1
CCC[C@@H](O)[C@@H](CO)NC(=O)CNS(=O)(=O)N(C)C	0
C[NH2+]CCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	3
Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)c1	2
Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]CCCC[NH3+]	2
CC[NH+](CC)CCNc1ccc(C[NH3+])c2sc3ccccc3c(=O)c12	2
O=C(C[NH2+]Cc1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	1
Cn1c(=O)[nH]c(=O)c2c1nc(NCC[NH+](C)C)n2C[C@@H](O)COc1ccccc1	1
C[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC=O	0
CNS(=O)(=O)CC(=O)NCCNC(=O)C(C)(C)C	0
CCOC[C@@H](O)CN1CCN(C(=O)CN2CSCC2=O)CC1	0
Cc1ccc(CN(c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1	1
COCCC1(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC[NH2+]CC1	1
CCOC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1	1
C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](C)CC2)c(Cl)c1	2
COc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCN2CCOCC2)cc1	0
CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCCC[N@H+]1CC	2
COc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cc1	1
COc1ccc(C[C@@H](O)C[NH+]2CCC(CC[NH3+])CC2)cc1	2
C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCC(N)=O	2
C[C@@H](O)[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C(N)=O	2
CC[N@@H+](Cc1cc(F)ccc1-n1cccn1)CC1CC[NH+](C2CCN(C)CC2)CC1	2
COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1	0
CCC(=N/NC(=S)NCC[NH+](C)C)/C(C)=N/NC(=S)NCC[NH+](C)C	2
CC(C)C[N@H+]1C[C@@H](C[NH+]2CCCC2)C[C@@H](C(=O)NC[C@@H]2CCCO2)C1	2
CN1CCN(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1	1
Cc1ccc(S(=O)(=O)NN=c2nc(N3CCOCC3)nc(N3CCOCC3)[nH]2)cc1	0
CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CC3CC[NH+](Cc4ccc(F)cc4)CC3)C2=O)cc1	2
COc1ccc(CC[N@@H+](C)[C@@H](C)Cc2ccc(F)cc2)cc1OC	1
O=S1(=O)C[C@@H](O)[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1	2
NC(=O)CC1(CNC(=O)CNS(=O)(=O)c2cccnc2)CC1	0
Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccccn3)c(O)c2n1	1
Cn1cc(S(=O)(=O)NCC(=O)N2CCCC2)c(=O)n(C)c1=O	0
COCCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@@H](C)C(N)=O	0
O=C1[N-]C(=O)C(=Cc2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)C(=O)N1	-1
CC[NH+]1CCN(c2nc(NCCC[NH+](C)C)nc(N)c2[N+](=O)[O-])CC1	2
CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](CCc2ccccc2)C1	2
Cn1ncc2c(N3CC[NH+](C)CC3)nc(NCC[NH+]3CCCCC3)nc21	2
CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	0
COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1N1CC[NH+](C)CC1	1
C[C@@H](C[C@@H](C)[NH3+])NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	2
O=S(=O)(CCCS(=O)(=O)N1CCn2nccc21)N1C[C@H](O)[C@@H](O)C1	0
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21	-1
O=C(CN1C(=O)C=CC1=O)NC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)CNCC1=O	0
CNC(=O)[C@@]1(COC)CCCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1	0
CNC(=O)C1C[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)C1	1
COc1ccc(CC[C@@H](CCCNC=[NH2+])NC=[NH2+])cc1OC	2
CC1(C)[C@@H]2CC[C@@]1(C)C[N@@H+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2	1
CNC(=O)CCN(C)C(=O)CN(C)S(C)(=O)=O	0
CCS(=O)(=O)N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	0
CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1COC[C@H]1O	0
CCOC(=O)C(CC#CC[NH+](C)C)(CC#CC[NH+](C)C)C(=O)OCC	2
CN1C[C@H](NC(=O)NCCNS(=O)(=O)N(C)C)CC1=O	0
C[C@@H](CN1CCCC1=O)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C	2
CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)CSc1ccc(F)cc1)C2	1
COc1ccc(C[NH2+]CC(C)(C)OC)cc1OC[C@H](O)CN1CC[NH+](C)CC1	2
CCOC(=O)c1sc([N-]C(=O)c2nc3ncccn3n2)c(C(=O)OCC)c1C	-1
CCn1ccnc1C(=O)N1CCN(CC(N)=O)C(=O)C1	0
CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1	0
c1cc(N2CCCN(c3ccc(C4=[NH+]CCN4)cc3)CC2)ccc1C1=[NH+]CCN1	2
COc1cc(/C=C2/NC(=O)NC2=O)c([N+](=O)[O-])cc1OC	0
CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	2
CCn1c[nH+]c2cc(NCc3cc(OC)c(OC)c(OC)c3)ccc21	1
C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)s2)N3)C1	1
NC(=O)CN1CCC[C@@H](C(=O)NCCc2c[nH]c(=O)[nH]c2=O)C1	0
CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1	2
C[C@H](NS(C)(=O)=O)C(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1	0
CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O	0
CCOCCN1CC[NH+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1	2
C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	2
COc1ccc(N2C[C@@](O)(Cc3ccc(C)cc3)[n+]3ccccc32)cc1	1
CC(C)(C)c1ccc(-[n+]2c(-c3ccccc3)cn3c2SCCC3)cc1	1
CCCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)CC1	1
C[NH2+]CCC[NH2+]Cc1c(OCC(N)=O)ccc2ccccc12	2
O=S(=O)(NCC[NH+]1CCCCCC1)c1cccc2nsnc12	1
CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1	3
FC(F)(F)C(F)(F)c1nnc2c3ccccc3c(N3CC[NH2+]CC3)nn12	1
CNS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1	0
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(C(=O)OC)c1	2
C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1	0
CN1CC[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)S1(=O)=O	1
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1	0
NC(=O)CN1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1=O	0
CCOC(=O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O	0
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[NH2+]C(C)C	1
O=C(Cn1c(CO)nc2ccccc21)N1CCOCC1	0
COc1ccccc1N1CC[NH+]([C@@H](C)Cc2ccc(F)cc2)CC1	1
O=c1n(C[C@H](O)C[NH+]2CCCCCC2)c2ccccc2n1C[C@H](O)C[NH+]1CCCCCC1	2
O=C(NCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)N2CC(O)C2)cc1	1
CNS(=O)(=O)NCC(=O)N1CCC[C@H]1Cn1ccnn1	0
CCOc1ccccc1NC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O	1
NC(=O)NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(N)=O	0
COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C)CC2	0
C[C@@H]([NH2+]Cc1cccn1CC[NH+]1CCOCC1)c1ccccc1	2
O=C(OCC[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1	1
O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)cc(O)c12	1
CCCCNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1	2
CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]C2CCC2)ccc1OC	2
O=c1oc2ncccc2n1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	1
CCN1CCN(CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C(=O)C1=O	0
COc1ccc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1	1
CN1C(=O)NC(=O)/C(=C\c2ccc(O)c(O)c2)C1=O	0
O=C(CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)N1CCNCC1	0
O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CSc1ccc(F)cc1	2
C[NH+]1CCC(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1	1
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1	1
C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	0
COC(=O)[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(C)C	0
C[N+](C)(C)CCNC(=O)c1cc[n+](Cc2ccccc2)c(/C=N/[O-])c1	1
CC(C)(C)NC(=O)COc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1	2
COc1cc(CNC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1	-1
CCOC(=O)N1CCC([N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)CC1	2
COCCNC(=O)Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cn1	1
O[C@@]1(c2ccccc2)CN2CCSC2=[N+]1c1ccc2c(c1)OCCCO2	1
CC(=O)N[C@]1(c2ccccc2)CC[N@H+](C)[C@@H](c2ccccc2)[C@@H]1C	1
c1cc[n+](CCOCCOCC[n+]2ccccc2)cc1	2
O=C1CN(CC(=O)N2CCN(Cc3c[nH]nn3)C[C@@H](O)C2)C(=O)N1	0
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(C[NH+](CC)CC)c1	1
COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	2
C[NH2+]CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	0
CN1C[C@@H]2CN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CCN2C1=O	0
CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC[N@H+]1C[C@@H](C)O	1
Cc1c(C(=O)N(CCO)CCO)[n+]([O-])c2ccccc2[n+]1[O-]	0
NC(=[NH2+])c1cccc([C@@H]2Oc3ccccc3N(CCCCC[NH+]3CCOCC3)C2=O)c1	2
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1	0
CCS(=O)(=O)N1CC[NH+](CC2(c3ccc(C)cn3)CC[NH2+]CC2)CC1	2
COC(=O)[C@@]1(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCOC1	0
CC[NH+](CC)[C@@H](C)C(=O)NCC1(c2ccccc2)CCOCC1	1
COC(=O)C1(OC(=O)c2cc(OC)c(OC)c(OC)c2)C[C@@H]2CC[C@H](C1)[N@H+]2C	1
COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc(OC)c1OC	1
CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCNS(C)(=O)=O)C1	2
C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H](C)N1CCOCC1	1
C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1=O	0
Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1cc[nH+]cc1	1
CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@](C)(O)C1	0
O=C1[C@H]2CCCN2C(=O)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1	1
COc1cc2c(cc1OC)[C@@H]1CC3(C[C@@H]4c5cc(OC)c(OC)cc5CC[NH+]4C[C@@H]3CO)[C@H](CO)C[N@H+]1CC2	2
CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1	0
NC(=O)[C@@H]1CCC[N@@H+](CCNc2ncnc3sc4c(c23)CC[NH2+]C4)C1	2
CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1	0
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1cccnc1	2
CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1	0
C[C@@H]1C[C@@H](C)C[NH+](CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccccc2)C1	2
CC[NH+](CC)Cc1cc(C(=O)N2CCC3(CC2)[NH2+]CCNC3=O)c(C)o1	2
C[NH+](C)C[C@@H](O)COc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1	2
C[NH+](C)CCNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1	2
COCCN1CCCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1=O	0
CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cc1	-1
COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2C2CC[NH+](C)CC2)[N@H+]1C	2
C[N+]1(CCOC2CCCCC2)CC[N+](C)(CCOC2CCCCC2)CC1	2
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1	3
CCS(=O)(=O)NCC(=O)N[C@@](C)(C#N)COC	0
CC(=O)[C@@H](O)[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@]1(O)C(C)=O	0
C[N@@H+](Cc1cccnc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1	2
CC1(C)C[C@@](C[NH2+]Cc2ccc(O)cc2)(c2ccccc2)CCO1	1
CCc1[nH]c(CN2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)c(C)[nH+]1	2
O=C(Nc1ccnn1C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1)[C@@H]1CCOC1	2
CN(C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	0
O=C(C[NH+]1CCCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	1
O=c1[nH]c2ccccc2n1CCC[NH+]1CCN(c2ccc(F)cc2)CC1	1
C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc2c(c1)OCO2	1
C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1	1
O=S1(=O)CC[C@@H]([NH2+]CCN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)C1	2
Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)cc1	1
CN1CCc2c(n(C[C@@H](O)C[NH+](CCO)CCO)c3ccccc23)C1=O	1
O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1	0
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1	0
O=C(C[NH+]1CCCCC1)N1c2ccccc2CCc2ccccc21	1
CCOC(=O)C1=C(CN2CCN(C(=O)CN3CCOCC3)CC2)NC(=O)NC1	0
Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	1
O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC[NH2+]CC1)C1CC1	1
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC1CN(S(=O)(=O)N(C)C)C1	0
CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CC(=O)NC1=O	0
[NH3+]CC(=O)N1CCN(C(=O)c2cccs2)C[C@@H]1C(=O)N[C@H]1CCCNC1=O	1
CC1CC[NH+](CC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1	2
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC1	2
CSc1ccc(C[N+](=O)c2ccc(Br)cc2)cc1	1
O=C(NCC[NH+]1CCCC1)c1cccc(C(=O)NCC[NH+]2CCCC2)n1	2
COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)c1	1
CN(C[C@@]1(C)CC[N@@H+](C)C1)c1nc(-c2ccc(C(N)=O)cc2)nc2c1CC[NH2+]C2	2
COCCN(C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCCSC1	1
O[C@@H](C[NH2+]C1CCCCC1)CSC[C@@H](O)C[NH2+]C1CCCCC1	2
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc(C[NH+]3CCCCC3)o2)[C@H]1c1ccccc1F	1
CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[N@H+]1C[C@H](C)O[C@H](C)C1	1
CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	0
Cn1cc(Br)c(N2C(=O)C=CC2=O)n1	0
C[NH2+]C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1	1
CN1CCC[C@@H](NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O	0
COCCN1CCN(C(=O)CNC(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21	0
CC(C)N(CCCNC(=O)CN1CCC(S(N)(=O)=O)CC1)S(C)(=O)=O	0
Nc1nc2c(ncn2CCC(CO)CO)c(=O)[nH]1	0
CCOC(=O)[C@H](N)C(=O)NC[C@H]1CN2CCCN1CC2	0
FC(F)(F)c1cccc(N2CC[NH+](CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1	1
CCNC(=O)C1CN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1	0
CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCN2CCCS2(=O)=O)C1	0
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@](O)(CC(=O)NC)C1	0
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1	0
C[NH+](C)C[C@@H]1CCC[C@@H](C[NH+](C)C)C1=NOC(=O)c1ccccc1	2
C[NH+](C)CCNC(=O)Nc1ccc(NC(=O)NCC[NH+](C)C)cc1	2
COc1ccc(N2CCN(C(=O)Cn3c(=S)[n-]c4ccccc4c3=O)CC2)cc1	-1
Cc1c(-c2ccc(Cl)cc2)n2c([n+]1-c1ccccc1)SCCC2	1
Cn1c(-c2ccc(I)cc2)c[n+]2ccccc12	1
CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])CC(N)=O)c1	2
C[NH+]1CCN(CC(C)(C)C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)CC1	2
C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(-n3ccnc3)c2)CC1	2
CN(C)C(=O)COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)c1ccc(O)c(CCO)c1)CC2	1
Cc1cccc(N2CC[NH+](CCC(=O)NCc3cc4n(n3)CC[NH2+]C4)CC2)c1	2
CS(=O)(=O)N1CCN(S(=O)(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1	1
C[C@@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	1
COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ccccn2)CC1	1
CC(C)C[N@H+]1CCn2nc(CNC(=O)C3CC[NH+](CC(N)=O)CC3)cc2C1	2
CCN(CC[NH+](C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1	2
OCCC1CC[NH+](CCCC2CC[NH+](CCO)CC2)CC1	2
COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CO)CC1	2
COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccc(Cl)nc1	1
C[N+](C)(C)CCOC(=O)c1ccc(C(=O)OCC[N+](C)(C)C)cc1	2
COCC[NH+]=C(NCCC[NH+]1CCOCC1)NCCSC	2
C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCNC(=O)C(C)(C)C)CC1	1
[NH3+][C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(=O)[O-]	0
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1[N+](=O)[O-]	2
CNC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=[NH2+])NC)cc3)cc2)cc1	2
CNC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1C(=O)NC	0
CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	0
O=C1CCCN1CCC[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1	2
C[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H]1C	0
COCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	0
NS(=O)(=O)NC[C@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1	0
CO[C@H]1COC[C@H]1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	1
CCOC(=O)c1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1	1
C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CCCO1	1
CN1C(=O)N(CO)[C@@H]2[C@@H]1N(CO)C(=O)N2CO	0
CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)CCCS(=O)(=O)N(C)C	0
CNC(=S)NCCN(CCN(CCNC(=S)NC)C(=S)NC)C(=S)NC	0
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2nccnn2)CC1	0
CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1	0
O=C(C[NH2+]CC1CC1)N1CCN(C(=O)C[NH2+]CC2CC2)CC1	2
CC(=O)N1CCN(C(=O)CCNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1	1
CNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)n1	2
CC(C)[NH2+]C[C@@H](O)COc1cccc(OC[C@H](O)C[NH2+]C(C)C)c1	2
CCN(CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)S(C)(=O)=O	1
C[C@@H](C(=O)NC(N)=O)N(C)CCNC(=O)N(C)C	0
CN1CCOC[C@@H]1CNC(=O)N1CCN(CCS(N)(=O)=O)CC1	0
C[N@H+]1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1	1
C[NH+](C)CCn1cnc2c([nH]c3ccc(Br)cc32)c1=O	1
CC(=NNC(N)=[NH2+])c1ccc(N2CCN(c3ccc(C(C)=NNC(N)=[NH2+])cc3)CC2)cc1	2
C[NH+](C)CCCNC(=S)N/N=C1\C2CN3CC[N@H+](C2)CC1(Cc1ccccc1)C3	2
CCS(=O)(=O)NCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	1
COCCNC(=O)CNC(=O)[C@H]1NCCO[C@@H]1C	0
CNS(=O)(=O)NC1CCN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)CC1	0
c1ccc(-n2ncc3c(N4CC[NH+](C5CCCCC5)CC4)ncnc32)cc1	1
CCN(C(=O)CN1CCOC[C@@H]1CNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1	0
O=C(CCN1CC[N@H+]2CCC[C@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21	1
CC[NH+](CC)CCC[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCO3	2
CCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1	0
CC(=O)N1CCC[N@@H+](C[C@@H]2OC[C@H](NC(=O)N3CCOCC3)[C@H]2O)CC1	1
O=C(CC[NH+]1CCCCC1)NCNC(=O)CC[NH+]1CCCCC1	2
O=C(CCCCCCC(=O)NCC[NH+]1CCCC1)NCC[NH+]1CCCC1	2
COCCNS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	0
CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1	0
CS(=O)(=O)N1CCN(S(=O)(=O)NCCS(=O)(=O)NC2CC2)CC1	0
CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)CC1	2
CC[NH2+]CCC[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C	2
C[NH+](CCNC(=O)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)C2CC2)C1)C1CC1	2
CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1	2
COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[N@H+]2CCc3nc[nH]c(=O)c3CC2)c1	2
[NH3+]C1(CNC(=O)COC2C[NH2+]C2)CC[NH+](Cc2ccccc2)CC1	3
O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](C3CCSCC3)CC2)CC1	2
CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	0
C[C@@H](CN1CCOCC1)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O	0
Cc1ccc(S(=O)(=O)NCC(=O)Nc2nnc(C)s2)cc1	0
COC(=O)c1ccc(Nc2c3c([nH+]c4ccccc24)CCC3)cc1	1
c1ccc(-c2cn3c4ccccc4nc3n2CCC[NH+]2CCCC2)cc1	1
CO[C@@H]1C[C@@H](c2nnc[nH]2)N(CCNS(C)(=O)=O)C1	0
C[C@H](OC[C@H](O)C[NH2+]CCC[NH+]1CCCCCC1)c1ccc(Cl)cc1	2
CS(=O)(=O)N1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1	0
CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)c2c[nH]nc2-n2cnnn2)CC1	2
COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)COCC(F)F	0
Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1	0
CC[NH+](CC)CCNC(=S)N1CC[NH+](CCc2ccncc2)CC1	2
O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC(S(=O)(=O)N2CCNCC2)C1	1
COc1cccc(OC)c1C(=O)Nc1cc2c(cc1C(C)=O)OCO2	0
CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)CC1	1
C#CC[NH+]1CCC(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1	2
Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@@H+](CC(C)C)C2)cn1	2
COc1cc(NC(=O)CSc2ccccn2)c(OC)cc1Cl	0
C[NH+](C)CCNC(=O)Cc1c(C(=O)NCC[NH+](C)C)[nH]c2cc(Cl)ccc12	2
CN(CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CCO1	0
CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COC[C@@H]1CC=CCC1	1
C#CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OC	-1
C[NH+](C)CCOc1ccc(C[NH2+]CCCNS(C)(=O)=O)cc1	2
COC(=O)c1cc(C[N+](C)(C)C[C@@H](O)CO)c(Cl)cc1Cl	1
CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)CC1	1
CN1CCC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1=O	0
CN(CC(N)=O)S(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21	0
CC[NH+](CC)CCOc1cccc(NC(=O)C[NH+](CC)CC)c1	2
CC1(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	2
COc1ccc([C@H](O)c2c(C[NH+]3CCCCC3)c3ccccc3n2C)cc1	1
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(C)cc2)C1C(=O)OC	1
C[NH2+][C@H](c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12	1
CCOCCS(=O)(=O)NCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	1
CCOC(=O)c1ccc(NC(=S)NCC[NH+]2CCC(C)CC2)cc1	1
CC[NH+]1CCC(NC(=O)C[NH+](CCOC)CCOC)CC1	2
CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCCO	2
Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccn2)[NH+]2CCCCC2)c1C	1
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]2OCCN[C@@H]2C1	0
CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1OC	2
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)c1	-1
C[NH+]1CCN(c2ncnc3c2nnn3Cc2ccccc2Cl)CC1	1
Nc1c(-c2nnnn2-c2ccc(Cl)cc2)c[nH+]c2ccccc12	1
CC1CC[NH+](CC2(NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CCCCC2)CC1	2
C[C@@H]1CCCC[N@H+]1CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1	2
CN(C)S(=O)(=O)N1CCN(c2ccccc2)CC1	0
CN(C)C(=O)CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1	0
COc1cc2c(NC(=O)Nc3ccccc3Cl)ncnc2cc1OCC1CC[NH+](C)CC1	1
Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	0
CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C1	0
CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	0
CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(S(N)(=O)=O)CC1	0
Cc1c([N+](=O)[O-])c2ccc(O)c(C[NH+](C)C)c2n1-c1ccccc1	1
c1ccn2c(NC3CCCCC3)c(-c3ccc4c(c3)OCO4)[nH+]c2c1	1
C[C@@H](C[N+]1(C)CCCCC1)OC(=O)CCCCC(=O)O[C@@H](C)C[N+]1(C)CCCCC1	2
Fc1cnc(N2CCOCC2)nc1N1CCOCC1	0
COC[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C1CC1	0
CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1	0
Nc1cc(=O)nc(SCc2nc3ccccc3[nH]2)n1-c1ccccc1	0
COC(=O)CCC(=O)Oc1ccc(OC(=O)CCC(=O)OC)cc1	0
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCN1C	1
C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1	2
COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)C[NH+]2CCCCC2)CCO3)C1	2
C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)N2CCCOCC2)cn1	1
CCCNS(=O)(=O)NC(C)(C)[C@@H](O)C(=O)OC	0
O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CCC[NH+]1CCOCC1	2
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)no1	1
O=C1c2ccccc2C(=O)N1CCc1noc(-c2ccc(C[NH+]3CCCCCC3)s2)n1	1
CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	0
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](O)[C@@H]([NH3+])CCCC[NH3+]	2
NS(=O)(=O)N1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1	0
COc1ccc(C[N@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)N3CCCC3)C2)cc1OC	2
Cc1nnsc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	1
CNS(=O)(=O)NCC(=O)N1[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]1C	0
C[NH+](C)CCC[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21	2
O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC(S(=O)(=O)N2CCNCC2)C1	1
Cc1ccc(-c2[nH+]c3cc(C)ccn3c2NCc2ccccc2)cc1	1
CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(OC)cc3)cc2Cl)CC1	1
COCCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	2
CN1CCN(C)[C@@H](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1	0
C[N@H+]1CCC[C@H]1CCNC1CC[NH+](CCc2ccccc2)CC1	2
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCC(=O)N2CCOCC2)c1	2
CC[C@H](C)C[NH+]1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(CCC[NH+](C)C)C2=O)CC1	2
CS(=O)(=O)N1CCC(CNC(=O)NCCS(=O)(=O)NC2CC2)CC1	0
C[NH+](C)CCC1CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1	2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1	0
CCOC(=O)c1c(C)n(C)c2ccc(O)c(C[NH+]3CCC(C)CC3)c12	1
CCOC(=O)C1(c2ccccc2)CC[NH+](CCc2ccc(N)cc2)CC1	1
CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2C[C@@H](CO)[C@@H](O)C2)C1	1
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	2
CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C	1
O=C(c1cccc(Cl)c1)N1CCC([NH+]2CCCCCC2)CC1	1
CN(C)S(=O)(=O)NCCN(C)S(=O)(=O)N(C)C	0
COc1cc(CN(C)C2CC[NH+](C)CC2)cc(Br)c1O	1
COc1cc(Cc2c[nH+]c(N)nc2N)cc2c1N[C@@](C)(CF)C(F)=C2C	1
CC1CC[NH+](C2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1	1
O=C1C[C@H]([NH+]2CCC(C3CC[NH+]([C@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1	2
O=c1[nH]cc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c(=O)[nH]1	0
CN(C)c1cccc2c(S(=O)(=O)NCCN3CC[NH2+]CCNCC[NH2+]CC3)cccc12	2
Cc1nc(-c2ccccc2)c(CC(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)s1	2
O=C(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCNCC1	1
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(CC3CC3)CC2)cc1	0
C[NH+](C)CCOC(=O)Nc1c(Br)cc(Br)cc1Br	1
C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)n1cncn1	0
COc1ccc(C(=O)c2coc(S(N)(=O)=O)c2)cc1	0
COCC[N@@H+](C)CCN1CC2(CC[NH+](C3CC[NH2+]CC3)CC2)OC1=O	3
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCO2	1
CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC1	1
CCOC(=O)C[C@@H](NC(=O)C[C@@H]([NH3+])C(=O)[O-])C(=O)OCC	0
COc1ccc([C@@H]2Sc3ccccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1	1
CC(C)=CCC[C@@]1(C)OC(=O)N(CCCn2cc[nH+]c2C)[C@@]1(C)O	1
CN1C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1=O	0
O=C(NCC[NH+]1CCCCC1)Nc1cccc(NC(=O)NCC[NH+]2CCCCC2)c1	2
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C1SCCS1	0
[NH3+][C@@H](Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)[O-]	0
CC(C)CN1CCO[C@H](CNC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1	1
Nc1ccccc1S(=O)(=O)NCC(=O)N1CCCC1	0
CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](C2CC[NH+](C)CC2)C1	2
CCOC(=O)C1(C(=O)N2C[C@H](O)[C@@H](O)C2)CC1	0
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-]	0
COc1cc2c(cc1OC)-c1cc(NCC[NH+](C)C)nc(=O)n1CC2	1
CCN(CC)C(=O)[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1OC(C)=O	1
Cc1cc(NC(=O)CSc2nnc3sc4ccccc4n23)no1	0
NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1	0
NS(=O)(=O)c1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cs1	1
CNS(=O)(=O)CCNC(=O)N(C)CC(C)(C)O	0
Cc1cnc(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)s1	0
CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1	0
COc1ccc(OC)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1	0
C[C@H]1CCC[C@@H](C)[N@H+]1CCNC(=O)C1CCN(S(C)(=O)=O)CC1	1
C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(F)c2)C1	2
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	1
Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(Cl)cc2)n1	1
Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1	0
C[n+]1cc(C(=O)NCC[N+](C)(C)Cc2ccccc2)ccc1/C=N/[O-]	1
O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCC2(CC1)OCCO2	0
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1cccc2ccccc12	0
CN(C(=O)C[N@@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1)C1CCCCC1	2
C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(N)=O)O[C@H](C)C2)C1=O	0
Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1	1
CC(C)NS(=O)(=O)NCCNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C	0
CC[NH+](CC)CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1	1
C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NC)c(N)cc1OC	1
CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)CC1	2
C[NH+]1CCN(c2ccc(Nc3ncnc4sc5c(c34)CCCC5)cc2)CC1	1
CCOC(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1	1
CCN1CCN(C(=O)C2CC[NH+](Cc3cccc(OC)c3)CC2)CC1	1
CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCCn1cncn1	2
Cn1c2c(c3ccccc31)CCN(CCC[NH+]1CCN(c3ccccc3)CC1)C2=O	1
CSCC[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)C(N)=O	0
S=C1NCN(CCN2CCOCC2)CN1N1CN(CCN2CCOCC2)CNC1=S	0
NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CCC[NH3+])s1	1
CN(C)S(=O)(=O)N(C)CC(=O)NCCN1CCN(S(C)(=O)=O)CC1	0
COC(=O)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O	0
CCCC(=O)N1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1	0
C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1)C(N)=O	0
CCCc1cc(OC)c(C[C@@H]2c3cc(O)c(Cl)cc3CC[N@@H+]2C)cc1OC	1
c1ccc(-c2nnc(OCC[NH+]3CCCCC3)c3ccccc23)cc1	1
O=C(CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CCN(c2ncccn2)CC1	1
CCOc1ccc([N+]2=C3CCCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1	1
O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21	0
C[NH+](C)CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12	1
[NH3+]C1(CC(=O)NCCN2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1	3
CC(=O)NC[C@@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)CCO1	0
O=C(CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccncc1	0
CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C[C@@H]12	0
COc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1	1
CCCc1cc(N2CC[NH+](CC)CC2)n2c(nc3ccccc32)c1C#N	1
CCOc1c(C[NH2+]CC2CC[NH2+]CC2)cc(Br)cc1OC	2
O=C(NCCN1CCCC1=O)C(=O)NCCS(=O)(=O)N1CCSCC1	0
C[N+]1(CCOCc2ccccc2)CC[N+](C)(CCOCc2ccccc2)CC1	2
O=C(NCCO)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](CCc2ccccc2)C1	2
CC(C)[NH+](CC(N)=O)Cc1ccc(C[N@H+](CC(N)=O)C(C)C)cc1	2
Cc1cc(C)n(-c2cccc(C[N@H+]3CCO[C@@H](CC[NH+](C)C)C3)c2)n1	2
O=C(NCCN1CCOCC1)[C@@H]1COCCO1	0
CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1	1
CNC(=[NH+]C)c1ccc(NC(=O)c2ccc(/C=C\C(=O)Nc3ccc(/C(NC)=[NH+]\C)cc3)cc2)cc1	2
NC(=[NH2+])c1cccc(N[C@H](C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2)c1	1
C[NH+](C)CCNc1nnc(NCC[NH+](C)C)c2cc3ccccc3cc12	2
Cc1ccc2occ(CN3CCC([NH+]4CCCCC4)CC3)c(=O)c2c1	1
COCC[NH+]1CCC(C[N@@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1	2
COC[C@@](C)(CC(=O)OC)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	0
CC[NH+](CC)C[C@H](O)CNc1nccc2c(C)c3[nH]c4cc[nH+]cc4c3cc12	2
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	-1
C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCC[NH+]1CCC([NH3+])CC1	3
CCCn1nc(C)c2c(NCC[NH+](CC)CC)c3ccccc3nc21	1
CCS(=O)(=O)NCCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1	0
Cn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)cc1C(N)=O	0
CCCNS(=O)(=O)NCCS(=O)(=O)N(C)C	0
O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C1	1
CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCC[NH+]1CCCC1	2
C[NH+](C)CCCC(=O)Nc1ccc2c(c1)cc1c(=O)n3c(cc4cc(NC(=O)CCC[NH+](C)C)ccc43)c(=O)n12	2
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2	2
NC(=O)C1CCN(C(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1	0
CCN1CCO[C@@H](CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1	0
C[NH+](C)CCC[C@@H]1c2ccccc2Sc2ccc(Cl)cc2[C@H]1O	1
COCC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[NH+]3CCCCC3)c2)CC1	2
CC[NH+](CC)CCOC(=O)c1ccccc1C(=O)OCC[NH+](CC)CC	2
COc1ccc(CNc2ccc3c(c2)[nH+]cn3C(C)(C)C)c(OC)c1	1
O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1	1
CC1(C)C[C@@H](S(=O)(=O)N(CC(N)=O)CC(N)=O)CO1	0
Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1	1
COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C=CC2=O)c1	0
Clc1cc(Cl)c(-[n+]2nc(-c3ccccc3)cs2)c(Cl)c1	1
CSc1nc(-c2ccccc2)c2cc3c(cc2[n+]1C(C)C)OCO3	1
Cn1cc(C[N@H+]2CCCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1	2
CCN(CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+])CCC(F)(F)F	1
NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2N2CCOCC2)CC1	1
CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1	2
CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)C[NH+]1CCCCC1	2
O=C(NCc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)[NH2+]1	1
CC[N@H+](CC1CC[NH+](CCc2ccccc2C)CC1)C[C@@H](O)CO	2
CC(=O)N1CCN(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	0
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1	2
C=CC[S@](=O)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H](Cn3c2cccc3=O)C1	1
CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1	1
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1OC	0
Clc1ccc2c(c1)[C@@H](O[C@@H]1C[NH+]3CCC1CC3)c1ccccc1CS2	1
O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[NH2+]C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1	2
CS(=O)(=O)N1CCN(CCNC(=O)NCCN2C(=O)CNC2=O)CC1	0
COC[C@H]1CCC[N@H+]1[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CC[NH+](C)CC1	2
N#Cc1cccc(NC(=O)Nc2ccccc2[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1	1
Cc1ccccc1NC(=O)C[C@@H]1c2ccccc2CC(C)(C)[N@H+]1C	1
CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CCO1	1
O=C(CC[NH+]1CCC(O)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCC(O)CC3)ccc1-2	2
CC[C@@H](C(=O)NCCCCCCNC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C	2
C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1	2
Oc1ccc(C[NH2+]CCNCC[NH2+]Cc2ccc(O)cc2)cc1	2
CN1CCN(S(=O)(=O)N2CCN(C(=O)CCCC(N)=O)CC2)CC1	0
Cc1c(C[C@@]2(C)C(=O)NC(=O)N[C@H]2CO)[nH]c(=O)[nH]c1=O	0
COC(=O)CNC(=O)CS(=O)(=O)N(C)C	0
CO[C@@](C)(CO)CNC(=O)C1(S(N)(=O)=O)CC1	0
CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	1
[NH2+]=C(NCCNC(=[NH2+])c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	2
CNC(=O)C[C@@H]([NH3+])C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12)c1ccc(O)cc1	0
C[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCC3)C1	1
O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1	-1
CC(C)[NH+]1CCN(CCCN2CC3(CC[NH+](C[C@@H](O)CO)CC3)OC2=O)CC1	2
C[NH+](C)CCN1C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)NC(=O)c2ccccc21	2
COC(=O)[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccnn1C	0
C[NH+](C)C1(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CCCC1	1
Cc1c(-c2ccccc2)oc2c(C(=O)OCC[NH+]3CCCCC3)cccc2c1=O	1
CC(C)(CO)[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)C[NH2+]C(C)(C)CO)c1Cl	2
COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cc[n+](Cc3ccccc3)cc1)C2	1
C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCCN2CCCC2=O)CC1	1
CN(C)c1nccc(N(CC[NH+](C)C)Cc2ccccc2)c1C#N	1
Cc1ccc2nc(N3CC[N+](C)(C)CC3)nc(-c3ccccc3)c2c1	1
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)CC#N	0
O=C(N[C@@H]1CCN(CC(F)F)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	0
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1	1
O=C(C1CC[NH+](Cc2cccc(O)c2)CC1)N1CC[NH+](Cc2ccccc2)CC1	2
Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCc2sc3ccccc3c2C1	1
CN1CCN(CN2C(=O)[C@@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(CN3CCN(C)CC3)C(=O)[C@H]42)CC1	0
CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1	3
CC[N+](C)(C)CCOc1ccc(OCC[N+](C)(C)CC)cc1	2
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCC(C)C)c1	2
C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)c1cnn(C)c1	0
COc1ccc2[nH]c3c(=O)n(/N=C\c4cc(OC)c(OC(C)=O)c(OC)c4)c([O-])nc3c2c1	-1
CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)C1	2
COc1ccc(OC)c(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	1
C[N@@H+](C/C=C\C[NH3+])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	2
CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1	2
CC[N+](C)(CC)CCOCCOC(=O)[C@@H](c1ccccc1)[N+]1(C)CCCCC1	2
Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1	2
NS(=O)(=O)c1ccc(-n2ncc3ccccc3c2=O)cc1	0
CC(C)[NH+]1CCN(CCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1	3
C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1	2
COc1ccccc1-[n+]1c(-c2ccc(Br)cc2)cn2c1CCCCC2	1
CN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2cc[nH+]cc2)CC1	1
C[NH+](C)Cc1cc(C(N)=O)ccc1Oc1ccc(OC(F)(F)F)cc1	1
CSCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1	2
CC1CCN(C(=O)C2CC[NH+](CCCc3ccccc3)CC2)CC1	1
O=c1[nH]c2c(c3nc(-c4ccccn4)nn13)C[N@@H+](Cc1ccccc1)CC2	1
C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)CNS(=O)(=O)N(C)C	0
COc1cc(C(NC(C)=O)NC(C)=O)ccc1OCc1ccccc1	0
O=C(NCC[C@@H]1CCOC1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	1
Cc1nc[nH]c1CN1CCN(C(=O)CNC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21	0
C=C(C)C[NH+]1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1	1
C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1	1
Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)C4CC[NH+](C)CC4)CC3)cc2)cn1	2
CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	0
C[C@H](NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)/C=C/C(=O)N1CCc2ccccc2C1	0
O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC(=O)Nc1ccccc1	2
Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1	2
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c3c(c2)OCO3)C1	1
Cc1c[nH]c(=O)n(CCC[NH+]2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O	1
CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H]1CN(C)CCO1	0
NS(=O)(=O)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)C1	0
CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1	0
COc1cc(C[NH2+]C[C@@H]2CCc3[nH+]c(N)nc(N)c3C2)cc(OC)c1OC	2
C[NH+](C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1	1
CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccccc2)cc1	0
C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3ccccc3)CC2)CC1	2
COCCCn1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2c(=O)n3cccc(C)c3nc21	0
C=CCNC(=O)NC(=O)CN1CC[NH+](C[C@@H](O)COCC)CC1	1
NC(=[NH2+])Nc1ccc(C(=O)Oc2ccc3cc(C(N)=[NH2+])ccc3c2)cc1	2
O=C(CCC(=O)N[C@@H]1CCCNC1=O)N[C@@H]1CCCNC1=O	0
Cn1cc(C2=C(c3cn(C4CC[NH+](C)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	1
Cc1ccc2[nH]c(C[NH+]3CCC(CCC(=O)NCC[NH+](C)C)CC3)c(C)c2c1	2
CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1	0
COc1ccc([C@@]2(O)CN3CCCSC3=[N+]2c2ccc(Br)cc2)cc1	1
C[C@@H](NC(=O)CN1CCCC[C@@H](O)C1=O)C(=O)N1CCS(=O)(=O)CC1	0
CC(=O)N(C)CC(=O)N1CCC[C@@H](N2CCNCC2=O)C1	0
O=C(NCc1ccco1)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	2
[NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)[O-]	0
O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC(S(=O)(=O)N2CCNCC2)C1	1
COCCN1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1	1
C=C(C)[C@H]1CC=C(C[NH+]2CCN(c3cccc(OC)c3)CC2)CC1	1
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CN3CCN(S(C)(=O)=O)CC3)C[C@@H]12	0
CCN(C)C(=O)CNC(=O)NCCNS(C)(=O)=O	0
COc1ccc(C(=O)Nc2nc3nccc(-c4ccccc4)n3n2)cc1	0
COc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc(OC)c1OC	1
O=C(NCc1cc[nH]n1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1	0
OCC[NH2+]CCN=C1CCC(=NCC[NH2+]CCO)CC1	2
Cn1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c(=O)n(C)c1=O	0
CN(C)S(=O)(=O)N=C1C=CC(=NS(=O)(=O)N(C)C)C=C1	0
C[NH+](C)CCC1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1	2
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1	-1
C[C@@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1	1
CCOc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1OC	2
CCOC(=O)c1oc2ccc(C[NH2+]C(C)(C)C)c(Cl)c2c1C	1
NC(=[NH2+])NCCCCCCCCCCCCNC(N)=[NH2+]	2
CCN(CC[NH+](C)C)C(=O)Cn1c(=S)[nH]c2ccccc2c1=O	1
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCC[NH2+]1)C(=O)[O-]	0
CS(=O)(=O)N1CCN(CC#CCN2CCN(S(C)(=O)=O)CC2)CC1	0
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2	2
NC(=[NH2+])c1ccc2c(c1)ncn2CC(=O)c1ccc(-c2ccccc2)cc1	1
CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H]([NH3+])CSc1ccccc1	2
C[n+]1cccc(C(=O)NCCCCCCNC(=O)c2ccc[n+](C)c2)c1	2
Cn1nnc(CNC(=O)NCC(=O)N2CCCCC2)n1	0
C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1	2
c1ccc(-n2cnc3cc(-c4ccc(OCC[NH+]5CCCCC5)cc4)cnc32)cc1	1
COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C(C)C)cc1	1
CC(=O)NC1CN(S(=O)(=O)CCCS(=O)(=O)N2CC(NC(C)=O)C2)C1	0
Cc1cn(CCN2C(=O)CS[C@@H]2CO)c(=O)[nH]c1=O	0
CCS(=O)(=O)NCCS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)N1C	0
CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](CCO)CC2)CC1	1
CCS(=O)(=O)NCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	0
NS(=O)(=O)c1cnn(CCC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1	0
CN1CCC[NH+]=C1COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	1
NC(=O)C[NH+](C/C=C/C[N@H+](CC(N)=O)C1CCCC1)C1CCCC1	2
C[NH+](C)CCNC(=O)C1=CC=C(NCC[NH+](C)C)[C@@H]2C(=O)c3ccccc3N[C@@H]12	2
NC(=O)NCCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1	0
C[NH+](C)CCNc1cc(-c2cc(Cl)ccc2Cl)nc2ccccc12	1
FC(F)(F)c1cccc(/[NH+]=C(/c2ccccc2)N2CCOCC2)c1	1
COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2	1
CC(C)[NH+]1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1	1
Cc1nc([C@@H]2CN(C(=O)C(=O)NCCOCC[NH+](C)C)CCO2)n[nH]1	1
COc1ccc(Nc2nc(N)nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)n2)cc1	1
C[C@H](OC[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1	2
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1	-1
C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)CC1	0
COC(=O)[C@@H](O)C1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1	0
COc1ccc(C[NH2+]Cc2ccccc2OC)cc1Br	1
C[N@@H+](CCCN1CCOCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O	2
CC(=O)N[C@@H]1[C@@H](NC(N)=[NH2+])C=C(C(=O)[O-])O[C@H]1C[C@H](O)CO	0
COCC[N@@H+](C)CCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	2
COc1cccc(N2CC[NH+](C[C@@H](C)Nc3ccccn3)CC2)c1	1
Cc1cccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1	1
c1ccc(Oc2cccc(CN3CCC([NH+]4CCCC4)CC3)c2)cc1	1
CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(N)=O)O[C@H](C)C2)CCO1	0
O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc([N+](=O)[O-])n[nH]1	0
O=C1C[C@H]([NH2+]C[C@@H]2CCCO2)C(=O)N1c1ccc(N2C(=O)C[C@@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1	2
CCOC(=O)CN1CC[NH2+]CCN(CC(=O)OCC)CC[NH2+]CC1	2
COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1	0
O=C(C[NH+]1CCCC1)Nc1ccc(I)cc1	1
CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CC[NH+]1CCCC1	2
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	-1
O=C([C@@H]1CCC[NH2+]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	1
C[N+](C)(CC[N+](C)(C)CC(=O)c1ccccc1)CC(=O)c1ccccc1	2
CC(C)C[C@@H]([NH3+])C(=O)NCC(=O)NCC(=O)[O-]	0
CCOC(=O)C[C@@H](O)C(=O)NCCCN1CCC[C@H]1C(N)=O	0
CC(=O)OCCn1c(C)[n+](-c2ccccc2)c2ccc(Cl)cc21	1
CC[C@@H]1CSC2=[N+](c3ccccc3)[C@@](O)(c3ccc(OC)cc3)CN21	1
COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)CCN3CC[NH+](C)CC3)C2)cc1	2
CCOC(=O)C(CC[NH+](C)C)(CC[NH+](C)C)c1ccccc1	2
Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1	0
NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2=O)c1	1
COCCNC(=O)[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C	2
CO[C@@H](C)C(=O)N1CCN(CC(N)=O)C(=O)C1	0
CC(=O)N1CCC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1	2
CCOc1ccc(CSCCNC(=[NH2+])NC(N)=[NH2+])cc1Cl	2
CNS(=O)(=O)NCC(=O)NCCC(=O)N1CCN(C)CC1	0
CC[N@@H+](CCO)Cc1csc2ccc(I)cc12	1
C[N@H+]1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1	1
CNS(=O)(=O)CC(=O)N1CC[C@@](OC)(C(=O)OC)C1	0
CN1CCN(c2cc[nH+]c3ccc(NC(=O)Cc4cccc(Cl)c4Cl)cc23)CC1	1
CC[NH+]1CCN(C(=O)CNC(=O)CS(=O)(=O)NC(C)(C)C)CC1	1
O=C(Cc1ccc(C2=[NH+]CCN2)cc1[N+](=O)[O-])c1ccc(C2=[NH+]CCN2)cc1	2
CCOC(=O)c1ccc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	1
C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H]1[NH+]1CCOCC1	1
CCN(CCC[NH2+]C1CC[NH+](CC)CC1)S(C)(=O)=O	2
O=C(O[C@@H]1C[NH+]2CCC1CC2)C1c2ccccc2Oc2ccccc21	1
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc2c(c1)OCO2	-1
C[NH+](C)CC/C=C1/c2cc(F)ccc2CSc2ccc(F)cc21	1
CN1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1=O	0
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccoc1)CC2	2
CC(C)NS(=O)(=O)NCCNC(=O)N(C)C1CCN(S(C)(=O)=O)CC1	0
CC(C)(CNC(=O)CN1CC[NH+](CCO)CC1)N1CCOCC1	1
O=C(ON1C(=O)CCC1=O)c1cccc(N2C(=O)C=CC2=O)c1	0
Cn1c(-c2ccccc2)c[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCO2	1
CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[NH+]3CCCC3)CC[C@@H]21	1
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](CC(N)=O)C2)CC1	0
COc1ccc(/C=C/C(=O)NCCC[NH2+]CCCC[NH3+])cc1	2
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]12)c1ccco1	-1
CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCC[NH+]2CCOCC2)c1=N	1
C[C@@H](C[N@H+]1[C@@H](C)CCC[C@H]1C)OC(=O)c1ccc(C(C)(C)C)cc1	1
O=C(c1nc2ccccn2c1C[NH2+]CCCC[NH+]1CCCCCC1)N1CCOCC1	2
CC[C@H](CO)NC(=O)CS(=O)(=O)N(C)C	0
COc1ccc(CNC(=O)/C=C/C(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)N2CCOCC2)cc1OC	0
COCCN(C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	1
COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](O)C[C@H]1C(N)=O	0
COc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)C2=O)cc1	2
C[NH2+]CCC[NH2+]Cc1cccc(Oc2ncccn2)c1	2
C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@H]1C	0
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)C1	0
C[NH+](C)CCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3	1
COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCC[NH+]4CCCC4)CC3)n2)cc1OC	2
CN1C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C[C@H]1C(N)=O	1
C[C@@H](Cc1c[nH]c2ccc(Cl)cc12)/[NH+]=C/c1ccc(N(C)C)cc1	1
C[C@@H]([C@@H](C)N(C)C(=O)C(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1)S(C)(=O)=O	0
CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[n-]c(=O)c2c(F)c(F)c(F)c(F)c2c1=O	-1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1	2
C[N+]1(CCC[C@@H](O)CC[N+]2(C)CCCC2)CCCC1	2
CNS(=O)(=O)N1CCN(C(=O)NCCN2CCNC(=O)C2)CC1	0
CC[C@H]1CN(C(=O)c2ccc(N(C)CCn3cc[nH+]c3C)nc2)CC[N@H+]1C(C)C	2
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	1
COC(=O)c1cnn(CC(=O)NCCCN2CCC[C@H]2C(N)=O)c1	0
COCC(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)[C@H]2CS(=O)(=O)C[C@H]21	0
CC(=O)NOC[C@@H]1NC(=O)[C@@H](CONC(C)=O)NC1=O	0
[NH3+]Cc1cc(=O)[nH]c(-c2cccc(C[N@H+]3CCC[C@@H]3Cn3ccnc3)c2)n1	2
COC(=O)c1ccc(NC(=O)c2cc[n+](Cc3ccccc3)cc2)cc1	1
CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1	1
COc1cc(C[NH2+]C2CCOCC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1	2
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl	-1
Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	2
CN1CC[C@@H](C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)S1(=O)=O	0
CCn1c(N)c(C(=O)CN2CCCN(S(N)(=O)=O)CC2)c(=O)[nH]c1=O	0
CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1	0
CS(=O)(=O)N1CCN(C(=O)c2cncnc2)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1	0
N#CC(C#N)=Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccn2)cc1	0
COC(=O)C1(C(=O)N2C[C@H](C)O[C@@H](C(N)=O)C2)CC1	0
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	1
COc1ccc(/C=C2\C(=O)ON=C2c2ccc(OC)c(OC)c2)cc1	0
CN1CCN(c2c3c([nH+]c4ccccc24)[C@@]2(C)CC[C@@H]3C2(C)C)CC1	1
CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1	1
CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)C1	0
Cn1cc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1C(N)=O	0
NC(=[NH2+])c1ccc(O[C@@H]2CO[C@@H]3[C@@H](Oc4cccc(C(N)=[NH2+])c4)CO[C@H]23)cc1	2
N/C(=N\NC1=c2cc(Br)ccc2=NC1=O)c1nonc1N	0
O=[N+]1C=C(NCC2CC2)Nc2ccc(Cl)cc2C1c1ccccc1	1
O[C@@H](C[NH2+]CCCC[NH2+]C[C@@H](O)C(F)(F)F)C(F)(F)F	2
CCNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)N3CC[NH+](C)CC3)nn2)C[NH2+]1	2
COc1cc(C[NH+]2CCCC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C	2
CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ncccn3)CC2)[C@H](O)[C@@H]1O	0
Cc1cccc(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1	2
O=C(NCC1(C[NH+]2CCOCC2)CC1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1	2
CNS(=O)(=O)CC(=O)N1C[C@@H]2CCCN(C(=O)CS(=O)(=O)NC)[C@@H]2C1	0
CC1=C([NH2+]N(C)c2cccc(Cl)c2)C(=O)N(C2CCCCC2)C1	1
CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1	0
Cc1cc(C)n(-c2nnc(C)n2NS(C)(=O)=O)n1	0
O=C1CC[C@@H](C(=O)N2CCC([NH+]3CCSCC3)CC2)CN1CCC[NH+]1CCOCC1	2
COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1	2
CC[NH+]1CCN(Cc2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)CC1	2
O[C@@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCCC1	3
CCS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)N3CCN(S(=O)(=O)CC)CC3)n(C)n2)CC1	0
CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(=O)N1CCOCC1	2
CC1CC[NH+](C[C@@H](O)COc2ccc(OC[C@H](O)C[NH+]3CCC(C)CC3)cc2)CC1	2
COc1cc2cc(-c3ccc(OC)c(OC)c3C)[nH+]c(N)c2cc1OC	1
C/C=C(\C)C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1	2
CC(C)(O)CC(=O)NCCNS(C)(=O)=O	0
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CC[NH+](C)CC1	3
C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[NH+](C3CCCC3)CC2)(c2ccccc2F)C1=O	2
C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)CCO2	2
COc1ccc(CNC(=O)CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2C)cc1	0
CCC[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)c1ccc(OC)c(OC)c1)C2	1
NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1	0
NC(=O)CN1CCC[NH2+]CCN(CC(N)=O)CCN(CC(N)=O)CC1	1
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)c1C	1
CCc1cc2c(N3CC[NH+](C4CCCCC4)CC3)ncnc2s1	1
Cc1csc(=O)n1CCC(=O)NC(C(N)=O)C(N)=O	0
CC[NH+]1CCC(C(=O)NC2CCCC2)(N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)CC1	1
Cn1c(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cc4ccncc4)cc3)ccc2n(C)c1=O	-1
C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn(CCCC[NH3+])nn2)CC1	3
C[C@@H](O)C[N@@H+](C)CC/C=C1/c2ccccc2CSc2ccccc21	1
CCOC[C@@H](O)C[NH+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1	1
Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)C3CC[NH+](C(C)C)CC3)CC2)n(C)n1	2
C[C@@]1(O)C[C@H](NC(=O)c2cnn(C[C@@H](O)CO)c2)C1	0
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(CC(N)=O)C(C)C)C1	1
CC(C)C[C@@H]([NH3+])[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O	1
COCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1C(=O)N[C@H]1CCCNC1=O	0
[NH3+]C[C@@H](O)COCC1CCC(COC[C@H](O)C[NH3+])CC1	2
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2C[C@@H](C(N)=O)C2)CC1	0
CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)CCN1C[C@@H](C)O	0
O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)CSc1ccccc1	1
CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)CO	0
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)[nH]c2=O)cc1	2
CC(C)[NH+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	2
Cc1nn(C)c(C)c1OCC(=O)N1CCN(CC(N)=O)C(=O)C1	0
NS(=O)(=O)CCN1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1	0
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+](CCO)CCO)C1	1
C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)S(N)(=O)=O	0
O[C@@H](COc1ccccc1C[NH2+]Cc1ccccc1-n1cncn1)C[NH+]1CCSCC1	2
O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1cnc[nH]1	0
NC(=O)c1cccc(C(=O)N[C@@H](O)C(=O)c2ccc(F)cc2)n1	0
Cn1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-]	0
C[NH+]1CCC(OC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)CC1	1
CC(C)N1CC[C@@H](NC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)C1=O	0
NC(=O)C(CCN1CC[N@H+]2CCC[C@H]2C1)(c1ccccc1)c1ccccc1	1
C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCN1CC(C)(C)O	1
Cc1cc(=O)n2c(n1)NC(=[NH+]CC[NH+]1CCCCC1)N[C@@H]2c1ccccc1	2
COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1	0
CCCCNC(=O)C[N@@H+](C)Cc1ccc(-c2nc(CC[NH3+])cc(=O)[nH]2)cc1	2
C[NH2+]Cc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NC2CCCCC2)nn1	2
NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](OC(F)F)C2)CC1=O	0
O=C(c1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1	1
CN(CC(=O)N1CCN(CC(N)=O)C(=O)C1)c1ncnc2[nH]cnc12	0
Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)cc1	1
Cn1ncc(NC(=O)O/N=C/c2ccccc2Cl)c1-n1cccc1	0
Cc1cn([C@@H]2C[C@@H](O)[C@H](COC(N)=O)O2)c(=O)[nH]c1=O	0
CC(=O)N[C@@H]1C(O)[C@@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)[C@H]1OC(C)=O	0
C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C(=O)NC12CC3CC(CC(C3)C1)C2	2
O=C(NCC(=O)N1CCNCC1)C(=O)NC[C@@H]1COc2ccccc2O1	0
COc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	-1
COc1ccc(CNC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cn1	0
CCN(CC)S(=O)(=O)CC(=O)NCC(=O)NC	0
Nc1c(Cl)cc(-c2nn(C3CC[NH+](CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2	1
CCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(OC)cc1	0
Cn1cc(S(=O)(=O)NCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cn1	1
CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H](OC)[C@@H]2CCOC2)CCO1	0
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](C[NH2+]CCCn3ccnc3)C(=O)O[C@@H]1C2	1
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCN2CCS(=O)(=O)CC2)c1	0
CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)C[NH3+]	0
COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@H]2OC(=O)CN2CC[NH+](C)CC2)cc1	1
COc1cc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc(OC)c1OC	0
Cc1cccc(NC(=S)N/[NH+]=C/c2ccc(N(C)C)cc2)c1	1
Cc1cnc2c(NCC[NH+]3CCCCC3)nc3cc4ccccc4cc3n12	1
NC(=[NH2+])c1ccc(OCCOc2ccc(C(N)=[NH2+])cc2)cc1	2
c1cc([C@@H]2CCC[N@@H+](Cc3ccoc3)C2)nc(SCC[NH+]2CCCC2)n1	2
CC[C@]12CCC[N@H+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32	1
COc1cc2c(cc1C[N@H+]1CCC[C@H](c3nnc4n3CC[NH2+]CC4)C1)OCCO2	2
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cn1	0
CC(=O)c1c(-c2ccccc2)nc2n(CC[NH+]3CCCCC3)c3ccccc3n12	1
CC[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3cccs3)CC2)CC1	2
C[C@@H](CO)NC(=O)CCS(=O)(=O)N(C)C	0
CN(CCNC(=O)CN1CCCS1(=O)=O)C(=O)CN1CCCS1(=O)=O	0
O=C(NCCN1CCOCC1)c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1	2
CCS(=O)(=O)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1	0
CCS(=O)(=O)NCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1	0
CCn1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])n1	0
O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C2CCCC2)CC1	2
CCn1c(C=CC=C2SCCN2C)[n+](CC)c2ccc(Cl)cc21	1
C[NH+](C)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccccc3)cc21	1
CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)C[N@@H+](C)Cc1ccc(OC)cc1)C2	2
CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)c1ccccc1OCC[NH+](C)C)C2	2
O=C(Cn1[n-]c(=O)ccc1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	-1
Cc1cc(-c2ccccc2)n(-c2cc(N3CC[NH+](C)CC3)ncn2)n1	1
Cc1sc(N)nc1-c1ccc(CC[NH+]2CCN(c3cccc4ccccc34)CC2)cc1	1
CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc(C)c1	1
C[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCO1)C[NH+]1CCN(C)CC1	1
CN(C)c1[nH+]cc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)n1C	1
Cc1nonc1NC(=O)CN1C(=O)c2ccccc2C1=O	0
O=c1cc(N2CCOCC2)oc2c(OCc3cccnc3)cccc12	0
COc1ccc(-c2cc(C#N)nc(N3CC[NH+](C)CC3)n2)cc1	1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1	2
CC(C)=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	0
CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	0
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	1
NC(=O)Cc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1	0
CC(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1	3
O=[N+]([O-])c1cccc2[nH+]c3ccccc3c(NCC[NH+](CCO)CCO)c12	2
CC1(C)NC(=O)N(CC(=O)NC(CO)CO)C1=O	0
CCn1ccnc1C[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	2
O[C@@H]1CN(C2CC[NH+](Cc3ccccn3)CC2)CC[C@H]1[NH+]1CCCCCC1	2
C[C@@H](CN1CCOCC1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C	2
NC(=[NH2+])NCCC[C@@H](N)C(=O)NCC(=O)NCC(=O)[O-]	0
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	0
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1	1
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1	2
CCN(C)S(=O)(=O)NCCN(C)S(=O)(=O)N(C)CC	0
CC[NH+](CC)CCC[NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1OC	2
CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)NC(N)=O	0
CC(C)(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)NS(C)(=O)=O	0
CS(=O)(=O)N[C@@]1(Cc2ccccc2)CCCN(CC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@@H]2O)C1=O	1
COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CC2)CC1	2
COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+]3CCC[NH2+]CC3)C2=O)c1	2
CCCCCC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	0
CO[C@@](C)(CO)CNC(=O)c1ccc(S(N)(=O)=O)o1	0
O=C1C[C@@H](N2CCC[C@@H](CO)C2)C(=O)N1c1ccccc1	0
O=C1Nc2c(S(=O)(=O)NCCO)cc(S(=O)(=O)NCCO)c3cccc1c23	0
NS(=O)(=O)N1CCN(CCCCN2CCN(S(N)(=O)=O)CC2)CC1	0
CC[C@@H]1OCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1	0
CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1	1
COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	0
C[C@@H](O)C(=O)OCCOCCOC(=O)[C@@H](C)O	0
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CC[NH+](C)C)c1	3
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(CCS(N)(=O)=O)CC1	0
C[C@@H]1Nc2nc(NC(=O)c3ccc[n+](C)c3)[nH]c(=O)c2N(C(=O)c2ccc[n+](C)c2)[C@@H]1C	2
CCOCCS(=O)(=O)NCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	0
CCOC(=O)c1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)cc1	1
CC(C)(CO)N1CCN(c2ccc(C(=O)NCCO)nn2)CC1	0
COc1ccc(OCC[NH2+]CCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)cc1	2
O[C@@H](C[NH2+]CCN1CC[NH2+]CC1)COc1ccccc1	2
Cc1ccc(C=C(C(=O)CC[NH+](C)C)C(=O)CC[NH+](C)C)cc1	2
Nc1c(-c2ccc(C3=[NH+]CCN3)cc2)[nH]c2cc(C3=[NH+]CCN3)ccc12	2
C[NH+]1CCN(c2cc(CNC(=O)NCCC[NH+]3CCCC3)ccn2)CC1	2
COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1nnnn1-c1ccc(C)cc1	2
CC(C)(C)[NH2+]C[C@@H](O)COC[C@H]1C[NH+]=C(Nc2c(Cl)cccc2Cl)N1	2
Cc1nc2nc(C[NH3+])nn2c(C)c1CCC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1	2
C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CCN1CCO	0
Cc1cc(=NNS(C)(=O)=O)[nH]c(=NNS(C)(=O)=O)[nH]1	0
COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(NC(C)=O)cc1)CC2	1
CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	1
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O	0
COc1ccc(NC(C)=O)cc1S(=O)(=O)NCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O	1
COc1ccc([N+]2=C3CCCCN3[C@@](O)(c3cccs3)C2)cc1	1
CS(=O)(=O)N1CCN(S(=O)(=O)NCCN2CCCS2(=O)=O)CC1	0
CN1CCC([NH+]2CCC(C[N@@H+](CCCn3cccn3)Cc3ccncc3)CC2)CC1	2
O=C(CN1C(=O)N/C(=C\c2ccc(C(=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCO2	-1
CC[N@H+]1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1	3
CN1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2C)[C@@H](C#N)C1	0
COC(=O)c1cc(Br)c(=O)n(CC[NH+]2CCCCC2)c1	1
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC[P@@H](=O)CO)C(=O)[O-]	0
CO[C@@H]1COC[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2COC[C@H]2OC)O1	0
CS(=O)(=O)N1CCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	0
NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccccc1	0
COc1ccc2c(c1)CCc1c-2nc2ccccc2c1NCC[NH+](C)C	1
C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	3
CCc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O	0
C[C@@H](CNC(=O)C[NH+]1CCCCC1)Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1	2
COc1ccc(C2=[NH+][C@@H](c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)N2)cc1	1
O=C1C=CC(=O)N1c1ccccc1N1C(=O)C=CC1=O	0
Nc1nnc(CCNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCOCC3)C2)s1	1
CCn1c[n+](C[C@@H](O)COc2cccc(OC)c2)c2ccccc21	1
CCOC(=O)C1CCN(c2cc(=O)n(C)c(=O)n2C)CC1	0
C[C@@H]1COCCN1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1	0
OCC[NH+]1CCOCCOCC[NH+](CCO)CCOCCOCC1	2
CCOc1cc(C(=O)N2CC[NH+](C)CC2)cc(OCC)c1OCC	1
C[NH+](C)CCCNCc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1	2
CN(C)C(=O)[C@@H]1CN(CCNS(C)(=O)=O)CCN1CCNS(C)(=O)=O	0
O=c1c(I)cn(C[C@H](O)CO)c(=O)n1C[C@H](O)CO	0
C[NH+](C)CCOC(=O)NCCCCNC(=O)OCC[NH+](C)C	2
C[NH+]1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1	1
Cc1n[nH]cc1S(=O)(=O)N(CC(N)=O)CC(N)=O	0
CCOC(=O)C1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1	0
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CSCC(=O)[O-])CC1	0
CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)CC1	0
C[N@@H+](CCn1cccn1)Cc1cc2cc3c(cc2n(CC[NH+]2CCCCC2)c1=O)OCO3	2
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]C3CCC3)c2)CC1	2
C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1	2
CC[N@H+](CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C	1
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCS(=O)(=O)C(C)(C)C1	0
CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1	1
CCCCC[C@@H](O)[C@@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCC[NH2+]CCC[N@H+]21	2
CC(C)n1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1	0
OC[C@@H]1O[C@@H](Oc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O	0
C[C@H]1C[N@@H+](C)[C@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1	1
CC(C)[NH2+]Cc1cccc(OCCOc2nccnc2N2CC[NH2+]CC2)c1	2
C[N+]1(CC(=O)OCCCOC(=O)C[N+]2(C)CCCC2)CCCC1	2
CN(C)C(=O)CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1	0
CS(=O)(=O)N1CCN(S(=O)(=O)NCC(=O)NCC(F)(F)F)CC1	0
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)N1CCOCC1	2
Cn1cc(N2CC[C@@H](NC(=O)NCC(=O)NC3CC3)C2=O)cn1	0
CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@H](C[NH+](C)C)C2)C1	1
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1	0
C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1	1
COC(=O)[C@@](C)(O)CNC(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O	0
O[C@H](c1ccccc1)C1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1	1
Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CCN3CC[NH2+]CC3)C2=O)c1	2
COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(OC)c1OC	2
CCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCC	2
CC(C)(C(N)=O)N1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1	0
CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(CCS(N)(=O)=O)CC2)C1	0
NS(=O)(=O)CCN1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1	0
CC[NH+]1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccccc3)CC1)C2=O	2
C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@H+](C)Cc2ccccc2)CC1	2
CCOc1cnc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cn1	0
Cn1c(N[C@@H]2C[C@H]2CO)c(C#N)c(=O)n(C)c1=O	0
CC[NH+](CC)CCNC1=[NH+]CCn2c1cc1cc(OC)ccc12	2
C[NH+](C)CCN1CCN(C(=O)C(=O)N=c2ccn(CC(F)F)[nH]2)CC1=O	1
CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1	1
COc1ccc(-[n+]2c(-c3ccc(C)cc3)cn3c2CCc2ccccc2-3)cc1	1
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(O)cc2)CC1	-1
COc1cc(C(=O)NCc2ccc(C)[nH+]c2N)cc(OC)c1OC	1
C[C@@H](COC(=O)CCCCCCC(=O)OC[C@H](C)[N+](C)(C)C)[N+](C)(C)C	2
O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1	1
CCN(CC)C(=O)CN1CCN(c2cc(C)[nH+]c([C@@H]3CC[NH2+]C3)c2)CC1	2
C[N+](C)(C)CCC[N+](C)(C)CCN1C(=O)c2cccc3cccc(c23)C1=O	2
O=c1[nH]cc(CS(=O)(=O)Cc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1	0
Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccco1)CN2	0
COc1cc2[nH+]c(N3CCN(C(=O)C(C)(C)Oc4ccccc4)CC3)nc(N)c2cc1OC	1
CN1CCN(C)[C@@H](CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1	0
O=C1N(c2ccc(Cl)c(Cl)c2)CCCN1[C@H](C[NH+]1CCCC1)c1ccccc1	1
CCNC(=O)CN1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1	0
COC(=O)c1ccc(CON=c2c(C)nc3ccccc3nc2C)cc1	0
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	1
CN(C[C@@H](O)CNC(=O)CN1CSCC1=O)C(=O)CN1CSCC1=O	0
O=c1n(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12	1
COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)C1	0
CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(C)cc3)nc12	1
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1	0
CC[NH+]1CCN(c2ccc(CNC(=O)NCC[N@H+](C)CC)cn2)CC1	2
CC[NH+](CC)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(C)c1	2
NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O	0
O=C(c1ccc(F)cc1)C1CC[NH+](CCCn2c(=O)[nH]c3cc(Cl)ccc32)CC1	1
CC[NH+]1CCN(C(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccc(Br)cc23)CC1	1
C[N@H+]1[C@H]2CC[C@@H]1C=C(N(C(=O)c1ccc(Cl)cc1)c1ccccc1)C2	1
CCOC(=O)Cn1c(C)cc(C)c([N+](=O)[O-])c1=O	0
C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)[C@H](C)CN1CCO	0
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCN1CCCS1(=O)=O	0
CCS(=O)(=O)NCCS(=O)(=O)N(C)[C@@H](C)CO	0
C[NH+](C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc21	1
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)n1	0
CNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCNCC2)cn1	0
Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C	0
CCOC(=O)COc1c(Br)cc(Br)cc1C[N@@H+](C)C1CCCCC1	1
Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cn1	2
CCC[NH+](CCC)Cc1c(C(=O)OCC)nnn1-c1nonc1N	1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)cc1	-1
CNS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1	0
CC(C)[NH+](CN1C(=O)N/C(=C/c2cccc(/C=C3/NC(=O)N(C[NH+](C(C)C)C(C)C)C3=O)c2)C1=O)C(C)C	2
COC(=O)[C@@]1(OC)CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1	0
CS(=O)(=O)N1CCN(CCNC(=O)C2CCN(S(N)(=O)=O)CC2)CC1	0
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(O)c(OCC)c3)C2=O)cc1	-1
COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(NCC[NH+](C)C)n2)c1	2
COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(=O)n(C)c(=O)n2C)C[C@@H]1CO	1
Cc1ccc2cc(C[NH2+]CCC[N@H+]3C[C@@H]4C=C[C@H]3C4)c(N3CCC(O)CC3)nc2c1	2
CC(C)(NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	0
CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)[nH]n1	2
CCNC(=O)NC(=O)Cn1c(C)c(C#N)c(=O)n(CC(=O)NC(=O)NCC)c1=O	0
Clc1cccc(N2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c1	1
COC(=O)[C@@H](NC(=O)C=C1CC(=O)NC(=O)N1)C(C)C	0
O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(C[P@@](=O)([O-])O)c1=O	-1
CCN(CC[NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	3
C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N(c1ccccc1)c1ccccc1	1
CNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)CN2CCOCC2)C1	0
NC(=O)C(NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(N)=O	0
O=C(CCn1cncn1)N1CCN(S(=O)(=O)N2CCOCC2)CC1	0
O=CN1CCC(C(=O)NCC[NH+]2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)CC1	1
[NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2F)o1	1
C[NH+]1CCN(c2nc(-c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)CC1	1
C[N+]1(C)CCN(C[C@@](O)(c2ccccc2)C2CCCCC2)CC1	1
c1ccc(-c2cc(NCCN3CCOCC3)c3ccccc3[nH+]2)cc1	1
CN1CCN(C(=O)CCNC(=O)Nc2cn(C)nn2)CC1	0
COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)C1CC[NH2+]CC1	1
CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+](C)C1	3
Cc1cc(N2CCOCC2)nc(N2CCOCC2)n1	0
C[NH+](C)CCCN1c2cc(O)ccc2Sc2ccc(Cl)cc21	1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(Br)cc1	2
COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](CO)C1	1
O[C@@H](COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1)C[NH+]1CCCCC1	2
CO[C@@H](C)[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	1
O=C(CN1C(=O)c2ccccc2C1=O)N1CCCC1	0
[NH3+]CCCC(=O)N1CN2CN(C(=O)CCC[NH3+])CC([N+](=O)[O-])(C2)C1	2
O=C1OCCN1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1	2
C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1=O	2
COc1ccc2[nH]c(C)c([C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2c1	1
CCCC(=O)c1cc(F)ccc1OC[C@H](O)C[NH2+]C(C)(C)C	1
COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)CN1C(=O)C(=O)N(C)C1=O	0
N#C[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1	0
C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1	2
CS(=O)(=O)CC[C@H](N)C(=O)N[C@H]1CCS(=O)(=O)C1	0
CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)Cn3cc[nH+]c3C(C)C)C1)C2=O	2
Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)c(=O)n1C	1
Cc1cc(N2CCN(Cc3ccnn3C)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1	2
CC(C)[N@@H+](C)CCNC(NCCCN1CCOCC1)=[NH+]C1CC1	2
C[NH+]1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2[N@@H+](C)Cc2ccccc2)CC1	2
O=C(N1CCOCC1)[n+]1ccc(/C=C/c2ccc(Cl)cc2)cc1	1
C[C@H]1CN(C)C[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)O1	0
CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(OC)c(OC)c2OC)C3)CC1	2
CCOC(=O)C1CC[NH+](Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)CC1	2
Cc1cc(C)n2c(NCc3ccccc3)c(-c3ccccc3C)[nH+]c2c1	1
Cn1cnn(CC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2=O)c1=O	0
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1	1
C[N@H+]1[C@H](CO)C[C@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1ccccc1F	2
CO[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)OC1(OC)OC	0
C[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	0
Clc1ccc(CN2C3=[NH+]CCCN3c3ccccc32)c(Cl)c1	1
[NH3+][C@H](CNC(=O)C[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1)C1CC1	3
C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C(=O)NCc1ccco1	2
CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cnc4ccccn34)C2)CC1	2
C[N@@H+](CCO)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12	2
Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)C2	1
O=C(NCCN1CCOCC1)C(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1	0
CC[NH+](CC)CCNC(=O)C(=O)NCC[NH+](CC)CC	2
C[N+]1(CCCCCCC[N+]2(C)CCOCC2)CCOCC1	2
Cn1c(=O)ccn(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1=O	0
Cc1c(C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C)oc2ccccc12	2
Cc1[nH]c[nH+]c1Cn1ccc2cc(Br)c3ccccc3c2c1=O	1
C#CC[N@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	1
C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1	3
[NH3+][C@@H](CC[C@@H]([NH3+])C[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@H](O)[C@@H]1O)C(=O)[O-]	1
Cc1cn([C@@H]2C[C@H](O)[C@@H](C[N+](C)(C)CCCO)O2)c(=O)[nH]c1=O	1
C[C@@H](NC(=O)c1ccco1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	1
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(c3nccnn3)CC2)CC1	0
CC[NH+](CC)CCNc1cc(-c2cccs2)nc2ccccc12	1
C[C@H](C(=O)[O-])N1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O	-1
CC(C)n1c(=O)n(Cc2nc3ccccc3n2CC[NH+](C)C)c2ccccc21	1
CC[NH+](CC)CCOC1CC[NH+](CCN2C(=O)CNC2=O)CC1	2
COCCN1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1	0
O[C@H](Cn1ccc2ccccc21)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1	2
C[NH+](C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1)C1CCCCC1	2
Cc1csc2[n+]1-c1ccccc1N(C(=O)Nc1ccccc1)CC2	1
CC(C)CC(=O)c1ccc[n+](COC[n+]2ccccc2C/C=N/O)c1	2
Cc1cc[n+](CC(=O)CCc2ccc(C(=O)C[n+]3ccc(C)cc3)cc2)cc1	2
C[NH+](C)CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	1
COc1ccc(CC[NH+]2CCN(c3ccc(C)c(C)c3)CC2)cc1OC	1
CN1c2ccccc2C(c2ccccc2)=[NH+]C[C@@H]1CCNC(=O)c1cccs1	1
O=C(C[NH+](CCO)CCO)N(C1CCCCC1)C1CCCCC1	1
CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cnccn2)C1	0
COCC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccc3OC)CC2)[C@H](O)[C@@H]1O	0
C[C@@H](CNC(=O)C(=O)N(C)CCN1CCOCC1)CN1CC[NH+](C)CC1	1
COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1	0
COc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	0
CO[C@@H]1O[C@@H](CNC(C)=O)[C@@H](OC(C)=O)[C@H](OS(C)(=O)=O)[C@@H]1NC(C)=O	0
Cc1cc(C(=O)NC2C[C@@H]3CCC[C@H](C2)[N@H+]3C)nn1-c1ccccc1	1
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	0
COc1ccc(Nc2nc(N)nc(C[N@@H+](C)C3CCCCC3)n2)cc1	1
CCOC[C@@H](O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1	1
CC(C)CCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O	0
CN1C(=O)N(C)C(=O)C([N-]S(=O)(=O)c2ccc(N)cc2)(c2ccccc2)C1=O	-1
CCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+]	2
CN(C)C(=O)c1nc(CNC(=O)C[NH3+])n(-c2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1	1
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	1
CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1	0
CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCN(CCCO)CC2)C1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)c1cn(C3CCCCC3)c3ccccc3c1=O)C2	1
C=CC[N+]1(CC(=O)OC)CC[N+](CC=C)(CC(=O)OC)CC1	2
Cc1ccn2c(C[N@@H+](C)CCCC[NH+]3CCOCC3)c(C(=O)N3CCCCCC3)nc2c1	2
CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCC[NH+](C)C)s2)CC1	2
COCC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@](C)(COC)C2)CC1	0
CC[NH+](CC)CCOC(=O)CCC(=O)OCC[NH+](CC)CC	2
CS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ncccn2)CC1	1
COc1cc(NCc2ccc3[nH+]c(N)nc(N)c3c2C)cc(OC)c1OC	1
Cn1cc(C(=O)NC2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)cn1	0
CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH3+])c1ccccc1CC2	1
COc1cc(-c2n(C)c3ccccc3[n+]2C)cc(OC)c1OC	1
C[NH+](C)CCN1C[C@@H](C(=O)NCCCC[NH+]2CCOCC2)CC1=O	2
Cn1cc(N2C[C@@H](C(=O)N3CCN(CC(N)=O)CC3)CC2=O)cn1	0
CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O	0
CS(=O)(=O)NC1CN(C(=O)CSCC(N)=O)C1	0
CO[C@@](C)(CO)CNC(=O)CN1CC(=O)NC1=O	0
COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(C)(C)CO)C1	2
Cc1ccc2c(c1)c1c(n2C[C@@H](O)Cn2cc[nH+]c2C)C(=O)CCC1	1
O[C@@H](c1cccnc1)C1CC[NH+](C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1	1
CCCN(CC(=O)NC)C(=O)CS(=O)(=O)NC	0
CC(C)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	0
CCC[NH+]1CCC([N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cc(OC)c(OC)c(OC)c3)C2)CC1	2
CN(C)C(=O)CNS(=O)(=O)CCCS(=O)(=O)N(C)C	0
CN1C(=O)C(=CNC(C)(CO)CO)C(=O)N(C)C1=S	0
CC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1	2
COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3O)CC2)cc1OC	1
CN(CC[C@@H]([NH3+])CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	1
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1	1
COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1CCc2ccccc2C1	1
CC1(C)CC(NC(=O)NC(=O)c2c(F)cccc2F)CC(C)(C)[NH2+]1	1
C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl	1
Cc1cc(C)c(S(=O)(=O)N(CCC[NH+]2CCCC2)CC(=O)N2CC[NH2+]CC2)cc1C	2
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)[C@@H]2OCCCC[NH3+])c(=O)[nH]c1=O	1
O=C(C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1	2
Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCC3)cc1	1
CC(C)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C	0
CC[NH+](CC)CCNc1ncnc2c1c(C)c(C)n2-c1cc[nH+]cc1	2
CC(=O)C(C(C)=O)N(NC(N)=N[N+](=O)[O-])C(N)=N[N+](=O)[O-]	0
C[C@@H]1CN(CCNC(=O)Cn2ccc(=O)n(C)c2=O)CCO1	0
C[NH+](C)CCC[C@@H]1c2ccccc2-c2ccccc2CS1(=O)=O	1
CC[NH+](CC)CC(=O)Nc1scc2c1c(=O)oc1ccccc12	1
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)CC1	1
CNC(=O)C[C@@]1(O)CCCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)C1	0
C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1	1
CS(=O)(=O)NCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1	0
C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCCC(=O)C[N+]#N)NC1=O	1
COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1	1
Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)cs1	1
O=C(CN1CCS(=O)(=O)C[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O)N[C@H]1CC(=O)O[C@@H]1O	0
C[NH+]1CCC(C[N@H+](C)C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1	2
C=CC[N@H+]1C[C@@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21	2
Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C2(CO)CCOCC2)CC1	2
C[N+]12CCC(CC1)[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2	1
CC[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1	1
C[NH+](C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1	1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1-n1cccn1	2
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1	1
CN(CC[NH+](C)C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1C[NH2+]Cc1cccc(Cl)c1	2
CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)CC[NH+](C)C	2
Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)c1C	0
CC[NH+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2CCC[N@H+]2CC)c1	2
CNC(=O)C[NH+]1CCC(NC(=O)NCCN2CCOCC2)CC1	1
COC[C@@H](C)S(=O)(=O)NCC(=O)N1CCNCC1	0
CCN(CC)S(=O)(=O)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1	1
O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	2
CNC(=O)C(C)(C)NC(=O)NCc1noc(C(N)=O)n1	0
Cc1nc(-c2ccc(S(=O)(=O)NCC[NH+](C)C)s2)cs1	1
Cn1c(=O)[nH]c(=O)c2nc(N(CCO)CCO)[nH]c21	0
CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1	1
CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@@H]2CO)CC1	0
CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)C1=O	0
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc[nH+]cc1	1
COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)cc1C	2
NC(=O)CC1(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1	0
C[C@H](CNC(=O)[C@@H]1CNC(=O)C1)N(C)C(=O)[C@@H]1CNC(=O)C1	0
COCc1cccc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)c1	1
O=c1[nH]c(=O)n([C@@H]2CO[C@H](CO)[C@H]2CO)cc1I	0
O=c1ccn([C@@H]2CO[C@H](CO)[C@H]2CO)c(=O)[nH]1	0
O=C(N1CCN(c2cc[nH+]cc2Cl)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	1
CC(=O)NCc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	1
Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1	1
CNS(=O)(=O)CC(=O)N1CC[C@@H](N(C(=O)CS(=O)(=O)NC)C2CC2)C1	0
CCc1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)c(C)nn1	0
Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccc(CO)o3)CC2)o1	2
COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1Cl	0
CCn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C	0
CC(C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1	1
O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCNCC1	0
O=C1NCC[N@@H+](C2CCCC2)[C@@H]1CC(=O)N1CCN(c2cc[nH+]cc2)CC1	2
CNS(=O)(=O)CCNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1	0
CC[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)C(=O)N1CCOCC1	1
Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c(C(C)(C)C)c1	1
CNS(=O)(=O)c1cc(OC)c(OC)c(C(=O)NC[C@H]2CCC[N@H+]2C)c1	1
CC(=O)N[C@@H]1[C@@H](OCCN2C(=O)c3ccccc3C2=O)O[C@@H](CO)[C@@H](O)[C@@H]1O	0
COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CC[NH+](C)CC1	2
COC(=O)CNC(=O)C(C)(C)NS(C)(=O)=O	0
CCn1c(C2CC[NH2+]CC2)nn(CC[NH+]2CCN(c3ccccc3)CC2)c1=O	2
CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1=O	0
CS(=O)(=O)C1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1	2
O=C(OC1CC[NH+](CCO)CC1)C(c1ccccc1)c1ccccc1	1
CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCNC(=O)C1	0
O=S1(=O)CCN(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)CC1	0
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc2c(c1)OCO2	-1
O=C(CN1CC[n+]2cc(-c3ccccc3)sc21)c1ccccc1	1
C[NH+](C)C/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(C#N)cnc2cn1	1
Cc1c(/C=C/C[NH+](C)C)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12	1
C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCN2CCOCC2)c2ccc3c(c2)OCO3)CC1	1
C[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1	2
C[NH+](C)Cc1cc(C(C)(C)c2cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c2)cc(C[NH+](C)C)c1[O-]	2
CN(C)S(=O)(=O)N1CC(NC(=O)C(=O)Nc2cccc(C(N)=O)c2)C1	0
Cc1cc(C)n2nc(S(=O)(=O)NCc3ccccc3)nc2n1	0
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)CCn4cc[nH+]c4C)C3)CC2)cc1	2
Cc1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)[nH]c(=O)c1	0
CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1	1
COc1ccc(CC(=O)N2CCN(CC(N)=O)C(=O)C2)nc1	0
CC[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)N1CCOCC1	0
[NH3+]CC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	0
COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1	0
Cc1ncc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)n1C	0
COc1ccccc1C[N@H+]1CC[C@@H](NCCC[NH+](C)C)[C@H](O)C1	2
CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CC[NH+]1CCOCC1	2
COc1ccc(C[N@H+]2C[C@@H](CN3CC[NH+](C)CC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC	2
CS(=O)(=O)NC1CN(C(=O)COCC(=O)N2CC(NS(C)(=O)=O)C2)C1	0
O=C(NCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1	2
CC[NH+](CC)CCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	2
CC1(C)CC(NCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	2
CCNC(=O)CNC(=O)CCS(=O)(=O)N(C)C	0
CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)CC1	2
Cn1cc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc1C(N)=O	0
O=C1C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)C(=O)N1Cc1ccccc1	1
NC(=N[N+](=O)[O-])NCCC[C@H](N)C[NH2+]Cc1ccccc1N	1
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C[NH2+]Cc1ccc(N)cc1	2
Nc1[nH+]cnc2c1c(-c1cccc(O)c1)cn2C1CC[NH+](CCO)CC1	2
CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cc(C(N)=O)n(C)c1	0
Fc1ccc(OC[C@H]2CC[C@@H]3CN(c4ncc(F)cn4)CC[N@H+]3C2)cc1	1
C=CC[C@@H]1C(=O)N(CC[NH+](C)C)c2cccc(C(F)(F)F)c2C[C@@H]1c1ccc(OC)cc1	1
COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H]1CN(S(C)(=O)=O)CCN1C(C)=O	0
CNc1cc(CN(C)C(=O)C[NH+]2CCC(C)CC2)nc([C@@H]2CCC[NH2+]2)n1	2
COCC[NH+]1CCC(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)CC1	2
CCOC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc23)CC1	1
COc1cccc(C2(O)CC[NH+](CCNC(=O)C[NH+]3CCC(C)CC3)CC2)c1	2
[NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NNc1cccc2c1C(=O)c1ccccc1C2=O	1
C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1	1
OCCN1CC[NH+]([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1	1
COCCOc1ccc(C(=O)N[C@@H]2CN(C3CC[NH+](C)CC3)CCC[C@H]2O)cc1	1
CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1	0
O=C1N[C@H]2CCCCN2C12CC[NH+](CCCN1c3ccccc3CCc3ccc(Cl)cc31)CC2	1
COc1cccc(NC(=O)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c1	1
CC(C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C(C)C)cc2)cc1	2
CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CC(C)(C)C[NH+](C)C)c1	2
CC(C)[N@@H+](C)CC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	2
C[NH+](C)CCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21	1
CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](C[NH2+]CC[NH3+])[C@H]2OC(C)(C)O[C@@H]12	2
CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1	0
CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1	2
NCC(=O)NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O	0
Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CC[NH+](C)CC2)no1	1
C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1	3
COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(C)c1C	1
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=[NH2+])NCCC[NH+]1CCN(c2ccc(F)cc2)CC1	2
C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(C)(=O)=O)C(=O)NCC(N)=O	0
CCc1cc2c(=O)n([N-]C(=O)c3nn(C)cc3Br)c(C)nc2s1	-1
CC[C@H](O)CN1CCN(C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1	0
CC(C)N(C(=O)C[N+]12CC[N+](CC(=O)N(c3ccccc3)C(C)C)(CC1)CC2)c1ccccc1	2
C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	2
COC[C@@]1(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC[NH2+]1	3
CN(CCNS(=O)(=O)N1CCOCC1)S(=O)(=O)N1CCOCC1	0
CCOC(=O)COc1c(I)cc(C(=O)[O-])cc1OCC	-1
CC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCO1	0
COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1	0
Oc1ccc2ccccc2c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1	1
Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC(NS(C)(=O)=O)C3)cnc21	0
CN(C)S(=O)(=O)CCN1CC[C@@H](NS(C)(=O)=O)C1	0
FC(F)(F)c1ccccc1CN1CCC([NH+]2CCCCC2)CC1	1
CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H]2[C@H](C1)[C@@H](OC)CS2(=O)=O	0
C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC[C@H]21	1
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OC	-1
C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1	3
Cc1ncccc1OC1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]CC1	2
O=c1c(C[NH+]2CCC3(C=Cc4ccccc43)CC2)coc2ccccc12	1
CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1	1
C[NH+]1CCC(c2n[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1	1
CC1(C)CC(NC(=S)NC(=O)c2ccccc2)CC(C)(C)[NH2+]1	1
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	3
CCN(CC)/[N+](O)=N/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	1
CC[NH+](CC)Cc1cc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)ccc1OC	2
O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)[nH]c3ccccc3c2=O)CC1	1
COc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1OC	1
COc1cc2c(cc1OC)CC(=O)N(CCC[N@@H+](C)C[C@@H]1Cc3cc(OC)c(OC)cc31)CC2	1
CC[NH+](CC)CCSc1nnc2c3ccccc3n(C)c2n1	1
COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O	0
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1	1
CC1CCC(NS(=O)(=O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1	2
C[C@@H](CCN1CCN(S(N)(=O)=O)CC1)N1CCN(S(N)(=O)=O)CC1	0
Cn1cc(S(=O)(=O)NCC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cn1	1
NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)CCO1	0
CS(=O)(=O)O[C@@H]1COC[C@H]1OS(C)(=O)=O	0
[NH3+][C@H]1CCCC[C@@H]1NC(=O)c1c2c(c3c4c(ncnc14)-c1ccccc1C3=O)N[C@@H]1CCCC[C@H]1N2	1
Cc1cn([C@H]2C[C@H](O)[C@](CO)(CCO)O2)c(=O)[nH]c1=O	0
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C	1
CNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1	0
CSCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1	2
COCCOCCCC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1	2
[NH3+]CCc1c[nH]c2ccc(Cc3nc(Cc4ccccc4)no3)cc12	1
C[N@H+]1[C@H]2CCC[C@@H]1CC(NC(=O)c1nccc3ccccc13)C2	1
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1Br	1
CC(=O)NC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CCO1	0
CC[NH+](CC)C[C@@H](O)CNc1ncnc(N)c1C(=C(C)C)c1ccc(Cl)cc1	1
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N1CC[NH+](Cc2ccccc2)CC1	2
CO[C@@H]1COC[C@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	0
COCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2OC)CC1	2
Cn1c(=O)ccn(CC(=O)N2CCN(CC(N)=O)C(=O)C2)c1=O	0
C[N+](C)(C)CCS(=O)(=O)CCS(=O)(=O)CC[N+](C)(C)C	2
CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cc2sccc2[nH]1	2
CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2ccc(OC)cc21	1
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)NN=Cc1cc(=O)[nH]c(=O)[nH]1	0
Clc1ccc(-c2noc(CSC3=[NH+]C[C@@H]4CCC[C@@H]4N3)n2)cc1	1
Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC1)c1ccccc1	1
COCCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc2c(c1)OCCO2	0
CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccs1	0