CC(=O)Nc1sccc1C#N	0
O=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12	0
N#Cc1ccc(S(N)(=O)=O)cc1	0
CC[NH+](CC)CCN(C)C(=O)Nc1ccc(NC(=O)N(C)CC[NH+](CC)CC)cc1	2
C[NH+](C)CCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	1
c1ccc2c(c1)CC([NH+]1CCN(c3cccc4c3OCCO4)CC1)C2	1
O=C(Cc1ccccc1)c1ccccc1C(=O)NCc1cccs1	0
COC(=O)C#Cc1ccc([N+](=O)[O-])cc1	0
Cn1ncc(Cl)c1C[NH3+]	1
Fc1cccc(Cl)c1CSc1ccccc1C1=[NH+]CCCN1	1
N#CC[N+]12CCN(CC1)CC2	1
C[NH2+]CC1(C)OCCO1	1
COc1cc(-c2nc(SC)c(C#N)c3c2CCCC3)cc(OC)c1OC	0
S=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ccccc2)CC1)Nc1ccc(-n2cccn2)cc1	1
[NH3+]Cc1c(Br)sc2ccccc12	1
COC[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1	0
O=C1c2ccccc2N[C@@H](/C=C/c2ccccc2)N1c1ccccc1	0
Cc1[nH+]ccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O	1
C[n+]1ccccc1C#N	1
CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1	0
NC(=S)SCC[NH3+]	1
N#CC1=C(N)S[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1	0
Cc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)[O-]	-1
N#Cc1ccc(N2CC[NH2+]CC2)nc1	1
COc1ccc(Nc2nc(NN)[nH+]c(OCC(F)(F)F)n2)cc1	1
c1nc(-c2ccc(SCC[NH+]3CCCCC3)cc2)cc(-c2ccc(SCC[NH+]3CCCCC3)cc2)n1	2
COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2[N+](=O)[O-])cc1	1
Cc1cncc2cccc(S(=O)(=O)N3CCC[NH2+]C[C@@H]3C)c12	1
CC(C)(C)c1[nH+]ccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	1
C[N+](C)(C)c1ccc(C(=O)c2ccccc2)cc1	1
Clc1ccc([C@]23C[NH2+]C[C@H]2C3)cc1Cl	1
O[C@@H](C[NH2+]C1CCCCC1)c1ccccc1	1
C=Cn1cc[nH+]c1C	1
Cc1nn(-c2ccccn2)c2c1C(=O)C[C@@H](c1ccco1)C2	0
CCn1c[n+](N)cn1	1
N#Cc1[nH]nc2nc(N3CC[NH2+]CC3)ccc12	1
C#CC[N@H+]1CCC2=C(C1)c1c(OC(=O)CCC[NH+]3CCCCC3)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C	2
COc1ccc(C[C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1	1
COc1ccc([C@@H]2NC(=O)O[C@@H]2CO)cc1	0
Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)cc1C	1
CC(=O)c1ccc2[nH]c(=O)sc2c1	0
CN(C)C(=[NH2+])NC1=NC(=O)C(=Cc2ccc(N3CCC([NH2+]C[C@H](O)COc4ccccc4)CC3)cc2)S1	2
Nc1nc(N)c(N)c(Nc2ccc(Br)cc2)n1	0
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCCCC2)on1)NCc1ccc2c(c1)OCO2	2
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CC[NH+]1CCCCC1	1
Cc1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1	1
[NH3+]Cc1ccc(O)cc1	1
CC[N+](C)(CC)CCNC(=O)Nc1ccc(-c2ccc(NC(=O)NCC[N+](C)(CC)CC)c(OC)c2)cc1OC	2
CN(Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1	1
O=CCC[C@H]1CCCC[NH2+]1	1
Cc1cc(C2=[NH+]CCN2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2C)cc1	2
CC(=O)C[NH+]1CCCCC1	1
C[NH+]1CCN(/N=C/c2ccc(OCc3ccccc3)cc2)CC1	1
CC1(C)CC(NCC(=O)OC2CCCCC2)CC(C)(C)[NH2+]1	1
C[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1	2
CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)NCCOC)CC2)CC1	2
OC1CCN(C2CC[NH2+]CC2)CC1	1
N#Cc1cnn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc12	0
CCOC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1	1
COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH3+])c1	1
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12	1
C[NH+]1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1	1
O=[N+]([O-])c1cc(O)c2ncccc2c1	0
CSc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1	0
N#[N+]N=C1NCCN1	1
O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	1
CC[NH+](CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1	1
CN(CC[N+]1(C)CCCC1)C(=O)[C@](O)(c1ccccc1)c1cccs1	1
O=C1C[C@H]([NH2+]Cc2ccco2)C(=O)N1CCc1ccccc1	1
CC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1	1
Cc1ccc(C(N)=O)cc1Br	0
CCn1c(C)[n+](-c2ccccc2)c2ccc(C(=O)N(C)C)cc21	1
[NH3+][C@H](CF)CC[C@@H]([NH3+])C(=O)[O-]	1
COc1ccc(OC)c(Nc2cc(C)[nH+]c3ccccc23)c1	1
C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1	1
C[C@@H](Cc1ccc(O)cc1)[NH+]1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1	2
CCOC(=O)c1sc(NC(=O)CC[NH+]2CCCCC2)c(C(=O)OCC)c1C	1
O=c1[nH]sc2ncccc12	0
Cc1[nH+]c(N)nc(N)c1N	1
Cc1ccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C	0
O=C(O[C@@H]1C[NH+]2CCC1CC2)C(O)(c1ccccc1)c1ccccc1	1
CC(C)(O)C#C[C@@H](O)c1ccc(F)cc1	0
Brc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1	0
O=C(NCCc1ccc(Cl)cc1)c1ccc(Br)cc1	0
c1cncc(C[NH2+]Cc2ccco2)c1	1
Cc1ccccc1N[C@@H](C(N)=O)c1cc2cccc(C)c2nc1Cl	0
Cc1cccc2c1cc(C(=O)NCc1ccc([N+](C)(C)Cc3ccccc3)cc1)n2Cc1cccc(C(N)=[NH2+])c1	2
O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(F)c1	0
COC(=O)Nc1c(C)cc(Br)cc1C	0
CCn1c[n+](C[C@@H](O)COc2ccc(F)cc2)c2cc(C)c(C)cc21	1
Cc1cc(C)c2c(n1)sc1c(N3CC[NH+](C)CC3)ncnc12	1
COc1ccc(C(=O)[C@@H](CC[C@@H](C[NH2+]C(C)(C)C)C(=O)c2ccc(OC)cc2)C[NH2+]C(C)(C)C)cc1	2
CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	0
Clc1ccc2c(c1)Nc1ccccc1S2	0
CC[N+](C)(CC)CCOc1ccc(N(C)CC[N+](C)(CC)CC)cc1	2
Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)ccc12	1
[NH3+]Cc1cncs1	1
CC[NH+](CC)CCn1nc2c(c1C)c(=O)c1cc(OC)ccc1n2C	1
CN(C)c1nc(NCN2C(=O)c3ccccc3C2=O)[nH+]c(N(C)C)n1	1
CC(C)[NH2+]CCC#N	1
CCC(=O)c1cc(N)ccc1O	0
CC#C[NH+](CC)CC	1
[NH3+]CCCC(=O)NCCCCCCCCCCNC(=O)CCC[NH3+]	2
CN(C)c1cccc2c(S(=O)(=O)NCCN3CC[NH2+]CCNCC[NH2+]CC3)cccc12	2
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1	-1
CS(=O)(=O)[C@@H]1CC[NH2+]C1	1
Cc1cc(C)[n+](-c2ccccc2)c2cc(-c3ccccc3)nn12	1
O=C(Nc1ccc(CCc2nc3ccccc3o2)cc1)C1CCCCC1	0
CCC[NH+]1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	1
COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)[O-])cc1	-1
Fc1ccc(/C=C/C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1	2
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2CO	1
Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1	0
COc1ccc(CC[N@H+](Cc2cc(CC(C)C)[nH]n2)CC2CC[NH+](C)CC2)cc1	2
NC(=O)c1cc[n+](COC[n+]2ccccc2/C=N/[O-])cc1	1
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4sc(N5CCOCC5)nc4[N+](=O)[O-])c3[nH+]c12	2
C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1	1
Cc1ccc(OCC(=O)N2CCC([NH+]3CCCC3)CC2)cc1	1
CN(C)c1ccc(-c2cc[n+](CCOCCOCC[n+]3ccc(-c4ccc(N(C)C)cc4)cc3)cc2)cc1	2
O=C([O-])CN1CSC(=S)N(Cc2ccccc2)C1	-1
O=C([O-])CSc1ccc(C(F)(F)F)cn1	-1
O=[N+](Cc1c[nH]c2ccccc12)c1ccccc1	1
[NH3+]CCOCCO	1
FC(F)(F)c1ccc2c(c1)N(CCC[NH+]1CCN(CC[NH+]3CCCCC3)CC1)c1ccccc1S2	2
Cc1ccc(N2CC[NH+](CCCN3C(=O)[C@@H]4CCCN4C3=O)CC2)cc1	1
C#CC[NH2+]CCC#N	1
O=C(C[N@@H+]1CCCC[C@@H]1CCO)c1c[nH]c2ccccc12	1
C[C@@H](O)[C@@H](O)c1ccc(C(N)=O)nc1	0
Cc1ccc(-c2nnc([C@@H](C)[NH2+]Cc3ccccc3-c3ccc(C[NH+]4CCCC4)cc3)o2)cc1	2
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1	0
CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc32)c2cc(O)c(O)cc21	0
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1	1
COc1ccc([C@@H](C(N)=O)[NH+]2CCCC2)cc1	1
C[N+]1(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CCOCC1	1
Nc1ccccc1S[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1=O	0
O=C1c2ccccc2-c2nc3nonc3nc21	0
Clc1ccc2c(NCC[NH2+]C3CCC4(CC3)OO[C@@]3(c5ccccc5)CC(c5ccccc5)=C[C@@H]3O4)cc[nH+]c2c1	2
Cc1cc(C)nc(S[C@@H](C)C[NH+](C)C)n1	1
C[N+](C)(Cc1ccccc1)Cc1sc(Cl)c(Cl)c1Cl	1
O[C@@H](C[NH+]1CCCCC1)c1ccc(CCc2ccc([C@@H](O)C[NH+]3CCCCC3)cc2)cc1	2
C#CC1(O)[C@@H](C)C[N@@H+](C)C[C@H]1C	1
COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1O	0
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)c(SCc3ccccc3)cc12	2
COc1cnc2c(c1)c(CCNC(C)=O)cn2C	0
c1ccc(-n2ncc3c(N4CC[NH2+]CC4)ncnc32)cc1	1
COc1c(C(=O)[O-])cnc2c1c(C)nn2C	-1
[NH3+]C[C@@H](O)c1ccccc1	1
CC(=O)O[C@@H](C)C[NH+](C)C	1
NC(=[NH2+])c1ccccc1Cl	1
CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1	1
CCN(CC)C(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1	0
COC(=O)C1(c2ccccc2)CC[NH+](CCCCCN2C(C)=[NH+]C(C)=C(C(N)=O)[C@@H]2c2ccc(F)cc2F)CC1	2
C[NH+]1CCN(C[C@@H]2CN(C[C@@H](O)CC3(O)CCC3)CCO2)CC1	1
O=C(CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1	1
COc1cc(/C=C/C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1O	2
Cc1ccc(C[NH3+])o1	1
C#Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O	0
Nc1ncnc2[nH]c(SCC[NH+]3CCCCC3)nc12	1
CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc2ccccc12	0
CC1(C)C[C@@H](CC(=O)[O-])C(=O)O1	-1
NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1Cc1ccccc1	0
COc1ccc(C(=O)OC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1OC	1
C=CCN1C(=O)OC(C)(C)[C@]1(C)O	0
CC[NH+](CC)CCNc1ncnc2sc3c(c12)CC(C)(C)OC3	1
CC(=O)c1ccc2c(c1)[C@H](C)C(=O)N2C	0
C[C@@H](C[NH+]1CCCCC1)OC(=O)COc1ccc(Cl)cc1	1
COC(=O)CCc1[nH]c2c(C)cccc2c1Sc1ccc(C)cc1	0
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)cc2c1	0
Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	-1
CCOC(=O)CC1=CSC2=NCCN12	0
Cn1c(-c2ccccn2)[n+](C)c2ccccc21	1
C[NH+](C)[C@@H]1CCC[C@@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1	1
O[C@@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1	1
Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc21	1
O=C(CN1CC[NH2+]CC1)NC1CC[NH+](C2CC2)CC1	2
CCCc1ccc(OC(=O)COc2cc(Cl)ccc2Cl)cc1	0
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[N+](=O)[O-]	1
NC(=[NH2+])c1ccc2oc(CCc3cc4ccc(C(N)=[NH2+])cc4[nH]3)cc2c1	2
C[NH+]1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)CC1	1
CCOc1cccc(C[NH2+]CCC[NH2+]C)c1OCc1ccccc1	2
C[N+]1(CCCCCC[N+]2(C)CCCCCC2)CCCCCC1	2
C[NH+]1CCN(c2ccc(CNC(=O)c3ccco3)cc2)CC1	1
CC(C)C(=O)Nc1cc(Cl)ccc1Cl	0
C[C@H](C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1Cl	0
O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1cccc(C(F)(F)F)c1)C/C2=[NH+]\CCCCC[NH+]1CCCC1	2
CCOC(=O)N1CCN(C2CC[NH+](CC)CC2)CC1	1
Cc1n(C)c2ccccc2[n+]1CCOCC[n+]1c(C)n(C)c2ccccc21	2
Clc1cccc(C2=CCC[NH2+]C2)c1	1
CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1	0
CC(C)C[NH2+]CC(=O)Nc1ccc(-c2ccc(NC(=O)C[NH2+]CC(C)C)cc2)cc1	2
C[NH2+][C@@H](C)COc1ccc(O)cc1	1
CC(=O)Nc1nonc1-n1c(C)ccc1C	0
CC[n+]1ccccc1Br	1
Cc1ccc(N2CSC(=S)N(c3ccc(C)cc3C)C2)c(C)c1	0
CCn1cc2c(O)cccc2[o+]1	1
O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccccc1Br	0
O=C([O-])Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1	-1
O=C1NC(=O)C2(CCCCCC2)N1	0
O=C1NC(=O)[C@]2(CCc3ccccc3C2)N1	0
O=C(O[C@@H]1C[NH+]2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1	1
CC[C@@H](C)[C@@H]([NH3+])CN	1
CC(C)CCn1nnnc1[C@@H](C(C)C)[NH+]1CCC(C(N)=O)CC1	1
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)C[N@H+]1CC2	1
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C)c1	0
CCC[NH+](CCCCCC[N@@H+](CCC)[C@@H]1CCc2[nH]ccc2C1)CCc1ccc(S(C)(=O)=O)cc1	2
C1=CC[N@@H+](C2(c3cccs3)CCCCC2)CC1	1
O=c1[nH]n(-c2ccc(F)cc2)n[o+]1	1
CC[N+]1(CC)C[C@@H](C)O[C@@](O)(c2ccc(Cl)cc2)C1	1
Clc1ccccc1-c1c[n+]2ccccc2s1	1
C[N+]1(C[C@@H](C[C@H](C[N+]2(C)CCCCCC2)C(=O)c2ccccc2)C(=O)c2ccccc2)CCCCCC1	2
CN(C)C(=O)CSc1nnc([C@@H]([NH3+])Cc2ccccc2)o1	1
COC(=O)c1ccc(C[N+](C)(C)CN2CCCC2=O)cc1	1
Cc1cc(C)c2c(=O)cc(C(F)(F)F)oc2c1	0
CCn1c(-c2ccc(Cl)cc2)n[nH]c1=O	0
COC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1	0
Nc1cc[nH+]cc1C=O	1
CC(C)C[N@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C[C@@H]1CCCO1	2
C[N+](C)(C)CCON1C(=O)c2ccccc2C1=O	1
Fc1cc2c(cc1F)[C@@H]1C[NH2+]C[C@H]2C1	1
CC[n+]1cccc(-c2nc3ccccc3o2)c1	1
CC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1	1
c1cnn(CCC[N@H+](CC2CC[NH+](C3CCCC3)CC2)C[C@@H]2CCCO2)c1	2
CCOC(=O)c1c(C[NH3+])c(C)n(C2CC2)c1C	1
CC[C@H](C)NC(=[NH2+])c1cccc(OCc2ccc3cc(COc4cccc(C(=[NH2+])N[C@@H](C)CC)c4)ccc3c2)c1	2
CCOC1=CC(=O)c2ccccc2C1=O	0
COc1cc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cc(OC)c1OC	2
[NH3+]C1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1	2
C[NH+]1CCC(c2c(O)cc(O)c3c2O/C(=C\c2ccc(N4CC[NH+](C)CC4)cc2)C3=O)CC1	2
Cn1nccc1[C@H](OCC[NH+](C)C)c1cccs1	1
O=C(c1cccs1)c1cn(CCOc2ccccc2)c2ccccc12	0
CC[NH+]1CCN(C2CC[NH+](Cc3cc4ccc(Cl)cc4n(CC(=O)OC)c3=O)CC2)CC1	2
[NH3+]CCCc1cn[nH]c1	1
C[NH2+]Cc1cccs1	1
NC(=[NH2+])SCc1cccc(Cl)c1	1
C[NH2+]Cc1cc2ccccc2s1	1
Clc1ccc(Oc2ccccc2C2=[NH+]CCN2)cc1	1
CN(C)c1cc[n+](CN2C(=O)c3ccccc3C2=O)cc1	1
Cc1cnc(C(N)=[NH2+])cn1	1
Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2c(C)n(CC(=O)N3CCCC3)c3ccccc23)CC1	2
NC(=S)N1CC[NH2+]CC1	1
C[N+](C)(C)CCSC(=O)CCCCCCC(=O)SCC[N+](C)(C)C	2
O=Cc1cccc2c1sc1ccccc12	0
Oc1cccc(-c2cn[nH]n2)c1	0
O=[N+]([O-])c1cccc(-n2cccc2)c1	0
[NH3+][C@@H]1CCSc2ccccc21	1
c1ccc2c(c1)CSc1ccccc1[C@@H]2CNC1=[NH+]CCN1	1
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccccc1C	0
CN1CCN(c2nccs2)CC1	0
Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]C(C)(C)C)CCCC1	1
CCC(=O)N[C@@H]1C[C@H]2C(=O)Nc3c(C)cccc3[C@@H]2OC1=O	0
CN1CCC([NH2+]CC2CCCCC2)CC1	1
O=C(CC1CCCC1)N(Cc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1)C[C@@H]1CCCC[NH2+]1	2
Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2cc3ccccc3s2)CC1	2
C[C@@H]1CC[N@H+](C(C)(C)C)CC1=O	1
CN(C)c1cccc(C[NH3+])c1	1
O=C1C[C@H](N2CCSCC2)C(=O)N1c1ccc(F)cc1	0
COc1ccc([N+]2=C3CCCCN3C[C@@]2(O)c2ccc(F)cc2)cc1	1
O=C(Nc1ccccc1Br)C1SCSCS1	0
C#CC1(O)C[C@@H](C)[NH+](C)[C@H](C)C1	1
CCc1nc(C)c(C[N@@H+](C)CC2CC[NH+](CCc3ccccc3OC)CC2)[nH]1	2
CC[C@H]([NH3+])[C@H](O)C(C)C	1
CCC[C@@H](O)[C@@H]([NH3+])CC	1
O=Cc1cccc(C=O)c1	0
[NH3+]C[C@@H]1CCCC[C@@H]1O	1
c1ccc(-c2nc3ccccc3n3cncc23)cc1	0
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(N)cc1OC	1
CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	1
CC[C@H](O)C(C)(C)[NH3+]	1
C[NH+](C)CCO[C@@](C)(c1ccccc1)c1ccccn1	1
CC(C)[NH2+]C[C@@H](O)CC(c1ccccc1)c1ccccc1	1
Cc1cc(/C=C/c2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)on1	1
CC1(C)C(=O)O[C@@H](c2cc(Br)ccc2O)C(C)(C)C1=O	0
CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)cc1	2
Cc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCCCCC2)cc1	1
CC(C)(c1ccccc1)c1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c(C[NH+]2CCN(c3ccccc3)CC2)c1	2
Cc1ccc([C@@H](c2nnnn2C2CCCC2)[N@H+](C)C2CCCCC2)cc1	1
Cc1cccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1	1
C[NH2+]C[C@@H](O)COc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1	2
CCCCc1ncc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)[nH]1	2
COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)NCC[NH+](C)C	2
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCC1CC[NH2+]CC1	1
Oc1cccc(Nc2ccc(Nc3cccc(O)c3)nn2)c1	0
COc1ccc(Cl)cc1-c1nc(N)nc(NN2CCCCC2)[nH+]1	1
C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)NC(c1ccccc1)c1ccccc1	0
CCn1c[n+](C[C@@H](O)COC2CCCCC2)c2cc(C)c(C)cc21	1
C[NH2+][C@@H](C)C(=O)NO	1
COc1cc(C[NH2+]CCc2ncccc2C)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C	2
CCC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)CC1	2
Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N4CC[NH2+]CC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1	2
C[C@@H](c1noc2ccc(Cl)cc12)n1ccnc1	0
COc1cc(Br)cc(CNc2cc(C)cc[nH+]2)c1O	1
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccco2)cc1OC	-1
Oc1ccc(C(=S)N2CCOCC2)cc1O	0
COc1ccc([C@@]2(O)CN3C(=[N+]2Cc2ccccc2)CCc2ccccc23)cc1	1
CC[C@H](c1ccc(C[NH+](C)C)c(O)c1)[C@@H](CC)c1ccc(C[NH+](C)C)c(O)c1	2
CC(=O)c1sc2nc(=O)c(C)nn2c1C	0
Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C#N	-1
Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1	0
CCCn1ncc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1C	2
C[C@@H](O)C[NH+]1CCCC1	1
c1ccc2c(c1)CCC2=NNC1=[NH+]CCN1	1
COc1ccc(CCNc2cc(C)[nH+]c(N)n2)cc1OC	1
O=C(c1cccnc1)N1N=CC[C@H]1c1ccco1	0
CC([NH3+])(CO)CO	1
C[NH+]1CCN(c2cc(CNC(=O)NCCN3CCOCC3)ccn2)CC1	1
COc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1	0
CCC[NH+](CCC)CC(=O)OC	1
Nc1ncnc2[nH]c(SCc3ccccc3Cl)nc12	0
C[C@@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C1	1
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
CC[N+](C)(CC)CCOc1ccc(OCC[N+](C)(CC)CC)c2c1C(=O)c1ccccc1C2=O	2
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
CCOC(=O)c1ccc(-n2[n-]c(=O)cc2O)cc1	-1
CC(C)CCNC(=O)C1CC[NH+](CCCc2ccccc2)CC1	1
CC[NH2+]C(C)C	1
Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccco2)cc1C	1
CC[NH+](CC)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1	1
CC1[N+](=O)[C@@H](c2ccccc2C(F)(F)F)N(O)C1(C)C	1
OCC#CC[N+]1(CC#Cc2ccc(C#CC[N+]3(CC#CCO)CCCCC3)cc2)CCCCC1	2
[NH3+]CC(=O)NC1CCCCC1	1
c1ccc(C23CN4CC[NH+](CC(C4)/C2=N\N=C2/C4CN5CC[N@@H+](C4)CC2(c2ccccc2)C5)C3)cc1	2
O=C(NCC[NH+]1CCCC1)C1c2ccccc2Oc2ccccc21	1
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1	2
COc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1	0
O=C(NCC[n+]1ccc2ccccc2c1)c1ccccc1	1
CC[NH+]1CCN(c2nc(C)nc3c2sc(=S)n3C)CC1	1
Cc1cc(C)c2oc(-c3ccc(N)cc3)nc2c1	0
Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2nnc(-c3ccccc3)o2)cc1	2
COc1ccc([C@@H]2NC(=[NH2+])NC(=N)N2c2ccc(C)cc2)cc1	1
COC(=O)c1ccc(=O)n(CC[NH+](C)C)c1	1
CCCn1c(N)[nH+]c2ccccc21	1
CCOC(=O)c1c(NC(=O)CN(C)C2CC[NH+](C)CC2)sc2c1CC(C)(C)[NH2+]C2(C)C	2
Cc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	0
C[N+](C)(C)C1COCOC1	1
C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3O)CC2)C1	1
C1CNC(C2=[NH+]CCN2)=N1	1
CCOC(=O)c1c(C)csc1[N-]S(=O)(=O)c1ccc(C)cc1	-1
C[n+]1ccc(/C=C/c2ccccc2O)c2ccccc21	1
O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1cnc2ccccc21	0
COc1ccccc1OCC[NH3+]	1
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCc1c[n+](CCCNC(N)=[NH2+])cn1C	2
CC[NH+](CC)CCC[C@@H](C)Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)[nH+]c2cc(OC)ccc12	2
COc1cc(C[N@@H+](C)CC2CCOCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	2
CC(=O)c1c(C)nn2c3ccccc3n(CC[NH+]3CCCCC3)c12	1
CC[NH+]1CCC(N2CCN(c3ccc(Cl)cc3)CC2)CC1	1
O[C@@](c1ccccc1)(c1cccs1)[C@@H]1C[NH+]2CCC1CC2	1
C[NH+](C)CCOc1cccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)c1	2
CC1(C)[NH2+]CC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12	1
FC(F)(F)Cc1nc2ccccc2s1	0
O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12	0
O[C@H](C[NH2+]C1CC1)Cn1c2ccccc2c2ccccc21	1
CC(C)[C@](C#N)(CCC[NH+]1CCCC1)c1ccccc1Cl	1
CCNC(=O)c1c(-c2ccccc2Cl)noc1C	0
CC[NH+](CC)CCC/N=C(/N=c1\ccn(CCC[NH+](CC)CC)c2cc(Cl)ccc12)c1cccnc1	2
C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	1
C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1	2
C[NH+](C)CCNc1cnn(-c2ccccc2)c(=O)c1Cl	1
CN(C)c1ccc(/C=[NH+]/NC(=S)NC(C)(C)C)cc1	1
CCOC(=O)c1c(C)n(C)c2ccc(O)c(C[NH+]3CCCCC3)c12	1
C[NH2+]CCN1CCCCC1	1
CC[NH2+]CCN(C)C	1
CN(CC[NH+](C)C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CC[NH2+]C[C@H]1F	2
Cc1ccc([C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	1
COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CC1CC[NH+](C(C)C)CC1	2
O[C@@H](COc1ccc2c(c1)CCC2)C[N@H+]1CCc2ccccc2C1	1
O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1	1
COc1ccc(Cc2c3ccccc3cc[n+]2C)cc1Oc1ccc(Cc2c3ccccc3cc[n+]2C)cc1	2
CC(C)(C)c1cccc(-c2nc3ccc(C(N)=[NH2+])cc3[nH]2)c1O	1
O[C@@]1(c2ccccc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCCO2	1
Nc1nc(-c2ccc(N3CCOCC3)c(F)c2)cs1	0
C=C(C)[C@@H]1CC=C(C[NH+]2CCN(c3ccccn3)CC2)CC1	1
O=c1c2ccccc2nc(C[n+]2ccccc2)n1-c1ccccc1	1
COc1ccc(-c2c[n+]3cn(Cc4ccccc4)c(C)c3c(=O)[nH]2)cc1	1
CNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(F)cc32)N1	0
C#C[C@@]1(O)C[C@@H](C)[NH2+][C@H]2CCCC[C@H]21	1
CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)C1	1
CC(C)[C@@H](NC(=O)c1cc2ccccc2cc1O)C(=O)[O-]	-1
CCN(CC)/[N+](O)=N/OC	1
C=C1C[C@H](C)O[C@@H](c2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)C1	1
CNS(=O)(=O)c1cccnc1N1CC[NH+](C(C)C)CC1	1
CC(=O)N1CCc2c([nH]c3ccccc23)C1	0
Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+](C)C)c1C	1
C[C@]([NH3+])(CO)c1ccccc1	1
CCOc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1	0
COc1ccc(CNc2[nH]c3ccccc3[nH+]2)c(OC)c1	1
O=C(NCC[NH+]1CCCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1	1
CC[NH+]1CCN(c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1	1
c1cnnc(N2CC[NH2+]CC2)c1	1
CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	0
O=C(CSc1ccccc1)Nc1nnc(C(F)(F)F)s1	0
CC(C)[C@@H](c1ccccc1)[C@H](O)CC[NH+]1CCCCC1	1
COC(=O)[C@@]1(C(=O)[O-])CC=C(C)C[C@@H]1c1ccc(F)cc1	-1
COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1	0
C(=N/n1cnnc1)\c1c[nH]c2ccccc12	0
NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	0
O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)c2ccccc21	0
O=C(Cn1nc(Cc2ccccc2)oc1=S)c1ccc(Br)cc1	0
CCCC(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1	0
Nc1cc(N)[nH+]c(SCC(=O)NC2CCCC2)n1	1
CC(C)CC[C@@H](CC[NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1	2
CCOC(=O)Cn1c2c(c(=[NH2+])c3c1CCC3)CCC2	1
C[N+](C)([NH3+])CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	2
Cc1n[nH]c(C)c1[N+](=O)[O-]	0
COc1cccc(/C=N/N=C2\C(=O)Nc3ccccc32)c1OC	0
CC(C)[N@H+]1C[C@@H](C)[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1C	1
C=C(C)CN1C(=O)N[C@@](CC)(C2CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CC2)C1=O	2
CCOC(=O)N1CCC([NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1	2
COc1cccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1OC	1
O=c1nc2[nH]c3ccc(N4CCN(c5ccccc5)CC4)cc3cc-2[nH]1	0
c1ccc(C[N+]23CCN(CC2)CC3)cc1	1
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1	1
CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCC[NH+]1CCOCC1	1
CCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)CC1	2
CCN(CC)C(=O)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1	1
Cc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1	-1
CCC[NH+]1CCC([NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)CC1	2
COc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1OCc1ccc(C)cc1	2
CC(C)[NH+]1CCC(N2CCN(c3ccccc3)CC2)CC1	1
Cc1ccc(C[NH2+]C[C@@H](C)O)s1	1
Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH+](CCc2ccccc2)CC1	1
[NH3+]Cc1nccn1Cc1ccsc1	1
CN1C(=O)C[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)C1=O	1
OC1(Cc2ccccc2)CC[NH2+]CC1	1
C[C@@H]1CN(S(=O)(=O)c2cccc3cnccc23)CC[NH2+]1	1
COc1cccc(C(=O)N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1OC	1
COc1ccc(C[N@H+]2C[C@@H](CN3CC[NH+](C)CC3)C[C@@H](C(=O)NCC(C)C)C2)cc1OC	2
O=c1cc(C(F)(F)F)c2ccc(O)cc2[nH]1	0
O=C1c2ccccc2C(=O)c2cnccc21	0
CC(C)[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CC[NH+](C4CCCC4)CC3)co2)CC1	2
CC(=O)C(C)(c1ccc([N+](C)(C)C)cc1)c1ccc([N+](C)(C)C)cc1	2
CC[NH+](CC)CCCNC(=S)NCCC[NH+](CC)CC	2
CC[N+](CC)(CC)Cc1ccc(C[N+](CC)(CC)CC)cc1	2
CC[n+]1cccc(-c2nc3ccccc3s2)c1	1
COc1ccc(C2=C[C@H](c3ccccc3)c3ccccc3O2)cc1OC	0
C[NH+](C)CC(=O)c1c[nH]c2ccccc12	1
COc1ccc([C@](O)(CC[N+](C)(C)C)C2CCCCC2)cc1	1
CCC[NH+]1CCC([NH2+][C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1	2
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	-1
CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)cc1	1
Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cc(=O)c4ccccc4[nH]3)CC2)o1	2
Cc1cccc(NC(=O)CCC2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)c1	2
NC(=O)C1(N2CCCCC2)CC[NH2+]CC1	1
O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	0
Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1	1
Nc1c(Cl)cc(C(F)(F)F)cc1Cl	0
CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1OC)[NH2+]CC2	1
N#CC(CCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1)(c1ccccc1)c1ccccc1	1
CN(C)C(On1nnc2ccccc21)=[N+](C)C	1
CCN(c1ccccc1)c1cc(=NC)n(C)c(C)n1	0
Cc1cn2c3ccccc3n(Cc3ccc(C(C)(C)C)cc3)c2[nH+]1	1
CC(=O)N(c1ccc(C2CCCCC2)cc1)c1nc(C)cc(C)c1C#N	0
Cc1n[n+]2c(-c3ccccc3)ccnc2s1	1
Cc1cccc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1	0
CCCNC(=O)[C@@H](C)[NH3+]	1
Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	1
C[C@@H]([NH2+]CCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1	1
C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)cc1	2
COc1cc(C)c(Oc2cc(C)cc(O)c2O)c(O)c1	0
O=C(Nc1ccc2ccccc2c1)[C@H]1C[C@@H](O)C[NH2+]1	1
C[NH+]1CCN([C@@]23CCCCC2=Cc2cc([N+](=O)[O-])ccc2O3)CC1	1
C[C@@H]1CCC[N@H+](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	1
[O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCCO1	-1
CC(C)[C@@H]([NH3+])C(=O)N1CCOCCOCCOCC1	1
C[C@H]1C[NH2+]C[C@@H](C)O1	1
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/NC(=O)NC2=O)o1	-1
c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1	0
N#Cc1c(/N=C/c2ccc(Br)cc2)sc2c1CCC2	0
CC1CC[NH+](CCNS(=O)(=O)c2cccc3cccnc23)CC1	1
Cc1ncc(-c2ccncc2C)c([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)n1	1
CC[NH2+]CCN	1
Cc1ccc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)cc1C	0
c1ccc(C(Cc2noc(CC[NH+]3CCCCC3)n2)c2ccccc2)cc1	1
O=C1CNC(=O)N1Cc1ccccc1	0
Cn1c(=O)sn(-c2cccc3ccccc23)c1=O	0
CC(C)SC1N=NC(=S)N1C	0
N#Cc1c(N2CCc3ccccc3CC2)nc2n(c1=O)CCC2	0
CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(C[NH+](C)C)c3)C[C@@H]2C1)C(C)C	2
CCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1	0
Cc1cc(C)c(C(=O)Nc2cccc(Br)c2)c(C)c1	0
O=C(CC[C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccccc2)CC1	2
CCOc1ccc(C(=O)[C@@H](CC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCC)cc2)C[NH+](C)C)cc1	2
Brc1ccc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1	1
Cc1ccc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)cc1	1
O=C([O-])CNC(=O)c1cccc(CSc2ccccn2)c1	-1
Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2cccc(C)c2C)o1	0
Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1	0
Nc1ccc2nc3c4c(nccc4c2c1)-c1ncccc1C3=O	0
COc1cc(C(=O)NC2CC[NH+](C)CC2)nc2ccccc12	1
Cn1c2ccncc2c2cc([N+](=O)[O-])ccc21	0
CCOC(=O)C1=C(C)N=C(SC)N(C)[C@@H]1c1ccccc1	0
COc1ccccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
CN(N)c1[nH+]cccc1C(F)(F)F	1
Clc1ccccc1CSc1cccc2cccnc12	0
[NH3+][C@@H](c1ccccc1)P(=O)([O-])[C@@H]([NH3+])c1ccccc1	1
Cc1cc(C(N)=O)c2ccccc2n1	0
Cc1nonc1NC(=O)OC(C)C	0
COc1ccc(/C=c2/sc3nncn3c2=O)cc1	0
O=c1[nH]c2c(n3ccnc13)Cc1ccc(Cl)cc1-2	0
COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(C)CC2)c1C	1
Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]Cc2ccco2)C(=O)CCC1	1
Cc1oc(C(C)(C)C)cc1C(N)=O	0
COc1ccccc1-n1cc(-c2ccccc2)[n+]2c1SC[C@@]2(O)c1ccccc1	1
NC(=[NH2+])c1ccc(OC(F)(F)F)cc1	1
CC(C)CC[n+]1ccc(C(N)=O)cc1	1
C[NH+](C)CCOC(=O)c1ccc2[nH]c3c(c2c1)CSCC3	1
C[NH+](C)CCOC(=O)C1(c2ccccc2)CCCC1	1
C[C@@H]1C[N@@H+](C)CCC1=O	1
N#Cc1ccc(/C=C2/CCc3ccccc3C2=O)cc1	0
O=C(c1ccc(Cl)cc1Cl)n1cc([N+](=O)[O-])cn1	0
Cn1cc([N+](=O)[O-])c(C(=O)n2cccn2)n1	0
O=S(=O)([N-]c1ncccc1O)c1ccc(Cl)cc1	-1
COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	2
Cc1cc(C)c(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)c(C)c1	1
C[n+]1cccc(CO)c1	1
C[NH+](C)CCCNc1ccc([N+](=O)[O-])c(NCCC[NH+](C)C)c1C#N	2
COc1ccc(CNC(N)=[NH2+])cc1	1
CN(C)C(=O)[C@@H]1CCC[NH2+]1	1
COC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(C)cc23)cc1	1
Cc1cccc(NC(=O)C(C)C)c1	0
C[C@@H]([NH2+]CCO)c1ccccc1	1
CC1(C)CC(NC(=O)c2scc3c2CCCC3)CC(C)(C)[NH2+]1	1
C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCCC1	1
O=S(=O)(NCCc1ccccc1)c1ccc(F)cc1	0
C[n+]1ccccc1CS(=O)(=O)c1ccccc1	1
O=C1SCCN1Cc1ccccc1	0
CC[NH+](CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21	1
C[NH+](C)CCOC(=O)N[C@@H](OCC[NH+](C)C)C(Cl)(Cl)Cl	2
Cc1ccc2[nH]c(=O)c(-[n+]3ccccc3)c(-c3ccccc3)c2c1	1
CC[NH+](CC)CCN1C(=O)Cn2c(C)c(C)c3cccc1c32	1
C[C@@H](O)C[N+](=O)Cc1ccccc1	1
CN1CCN(c2cc[nH+]c3ccc(NC(=O)Cc4cccc(Cl)c4Cl)cc23)CC1	1
c1ccc(Nc2nc(N3CCCC3)nc(N3CC[NH2+]CC3)n2)cc1	1
CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](CCn2cccn2)CC1	1
Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCC[NH+](C)C)[nH+]cnc32)cc1	2
CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])c(C)s1	0
COc1ccc(C(=O)C[C@@H]2CCC[C@H](CC(=O)c3ccc(OC)cc3)[N@@H+]2C)cc1	1
CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	1
c1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccn3)CC2)cc1	1
c1ccc(CC2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1	0
[NH3+]Cc1ccccc1Br	1
CCCC[NH2+][C@@H](C)[C@@H](O)c1ccc(-c2ccc([C@H](O)[C@@H](C)[NH2+]CCCC)cc2)cc1	2
Cc1cc(C)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C	0
Cc1ccccc1NC(=O)COc1ccccc1Br	0
COc1ccccc1NC(=O)CSCc1cnc(C)c(O)c1CO	0
C[N@H+]1CCC[C@H]1CCSc1ccncc1	1
Cn1c([O-])c(Cc2ccc[nH]2)c(=O)n(C)c1=O	-1
O=[N+]([O-])c1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1	1
C=C1C[C@H](C(=O)OC)[C@H]([NH3+])C1	1
O=[N+]([O-])c1cccc(-c2[nH+]cc3ccccn23)c1	1
CS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	-1
CCOC(=O)/C(=N\[O-])C1=NC(C)(C)Cc2cc(OC)c(OC)cc21	-1
C[C@H]([NH3+])c1ccnn1C	1
C[N@@H+](Cc1ccc2nsnc2c1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1	2
CCOC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1N1CCCCC1	-1
CC[NH+](CC)CCC[C@@H](C)Nc1cc(/C=C/c2ccccc2Cl)[nH+]c2cc(Cl)ccc12	2
COc1ccc(C[N+](C)=O)cc1	1
Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@H](CO)C3)c2n1	0
CC(=O)N(C)c1ccc([N+](C)(C)C)cc1	1
CC[N+](C)(C)c1ccc(NC(C)=O)cc1	1
CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+](C)CCCC[NH+]1CCOCC1	2
Cc1cc(=O)oc2cc(OCc3ccc(F)cc3)c(Cl)cc12	0
C[NH+]1CCN(CCCN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(C)(C)C)cc2)CC1	2
O=C(CC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccco1	1
C[C@@H](CCn1cccn1)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1	2
Cc1nnc(SCCNC(=O)C23C[NH2+]CC2C[NH2+]C3)s1	2
COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3[nH+]1)CC2	1
CC(C)[NH2+]CCCn1c(C(C)(C)C)cn2c3ccccc3[nH+]c12	2
O=c1c(C[NH2+]Cc2cccnc2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3	2
CC[C@@H](C)C[C@@H]([NH3+])O	1
Cc1c(/C=C/c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	0
O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1	1
CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1[NH+]1CCCC1	1
Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1	0
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(O)c2c1C1CCC2CC1	1
C[C@H](C(=O)OC1CCCCC1)c1ccncc1	0
C[C@H]1CCCC[NH+]1CCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)cc1	2
O=S(=O)(NCC[NH+]1CCCC1)c1cccc2nsnc12	1
CCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21	0
C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	1
[NH3+]CCCc1ccccc1	1
CCn1c[n+](C[C@@H](O)COCc2ccccc2)c2ccccc21	1
COc1cc(CNc2ccc([NH+]3CCCCC3)cc2)ccc1OCC(=O)NC(C)(C)C	1
Cc1cccc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c1	1
O=C1[N-]C(=O)C(=C[C@@H]2CC=CCC2)C(=O)N1	-1
C[N+]1(C)CCC(CCCCCCCCC2CC[N+](C)(C)CC2)CC1	2
Cc1c(-c2ccccc2)oc2c(C(=O)OCC[NH+]3CCCCC3)cccc2c1=O	1
CN(c1ncnc2ccc(Br)cc12)C1CC[NH+](C)CC1	1
CCOC(=O)C1CCN(C(=O)Cc2cccs2)CC1	0
C[NH+]1[C@H](c2ccccc2)CC(C)(O)C[C@H]1c1ccccc1	1
Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccc(Cl)cc2Cl)n1C	0
COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	1
CC(=O)NCCc1cccc2ccc3c(c12)CCCO3	0
CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cc(C[NH+]4CCCCC4)cs2)CC3)CC1	2
Fc1cccc(F)c1-c1csc(=[N+]2CCSCC2)s1	1
Cc1nn2c3ccccc3nc2n1CC[NH+]1CCCCC1	1
O=C(C[NH+]1CCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21	1
CC(C)(C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1C1=CC(=O)CC1	1
CCc1n(CC)c2ccccc2[n+]1C[C@@H](O)COc1c(C)cccc1C	1
Cc1c(Cl)ccc([N+](=O)[O-])c1Cl	0
CC[N@H+]1CCC[C@@H]1CNC(=O)C(O)(c1ccccc1)c1ccccc1	1
COc1c2c(cc3c1[C@@H](NC(N)=O)[N+](C)(C)CC3)OCO2	1
O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1	1
CCCN1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1	1
C1=C(c2c[nH]c3ccccc23)CC[NH2+]C1	1
C[NH+](C)CCCOc1ccc(C[NH+]2CCC(c3c[nH]c4ccc(NCC5CCCCC5)cc34)CC2)cc1	2
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1	0
CCO[C@@H](C)C(=O)C(O)O	0
CCC[C@@H](O)c1ccccc1OCC[NH+](C(C)C)C(C)C	1
c1ccc2c(SC3=[NH+]CCN3)c[nH]c2c1	1
O=C1Cc2ccccc2N1C1CC[NH2+]CC1	1
Cc1cc[n+](C)n1C	1
[NH3+]Cc1ccc(O)c(O)c1	1
COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1	1
CC[C@@H]([NH3+])Cc1ccc(C)c(O)c1	1
CCc1ccc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)o1	2
[NH3+]CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1
CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1	1
C[N+](C)(C)CCO[C@H](Cc1ccccc1)c1ccccc1	1
CNS(=O)(=O)Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1	1
COc1ccc(-c2csc(=S)s2)cc1	0
Nc1nc(-c2ccc3ccccc3c2)cs1	0
CCN1C(=Cc2cccc[n+]2C)C=Cc2ccc(C)cc21	1
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	-1
CC1CCC([NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)CC1	1
COc1ccc(/C=C/C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1	2
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C[C@@H]2CCO)CC1	2
C[NH+](C)Cc1coc2ccccc2c1=O	1
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)OCO3)C1	0
O=C1c2scc(-c3ccc(O)c(O)c3)c2-n2cccc21	0
COc1ccc2ccccc2c1CN(CCC[NH+](C)C)CCC[NH+](C)C	2
CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2ccco2)cc1	0
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCCOc2cccc(NC(=O)CBr)c2)c1	2
O=C(c1ccccc1F)N1CC[NH2+]CC1	1
O=c1[nH]c2c(c3nc(-c4ccccn4)nn13)C[N@@H+](Cc1ccccc1)CC2	1
CC[NH+]1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1	1
CCOc1cc(C(=O)N2CC[NH+](C)CC2)cc(OCC)c1OCC	1
CC(=O)Nc1ccc(-c2c[n+]3c4ccccc4ccc3n2C)cc1	1
CC(C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1	1
CCOCCC(N)=[NH2+]	1
COc1cc(SC)ccc1C(=O)Nc1nccs1	0
CC(=O)c1cccc([N+](=O)[O-])c1	0
CCOC(=O)c1nc2c3cc(C)ccc3n(CC)c(=O)n2n1	0
O=C1C[C@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1ccc(F)cc1	1
CC(C)c1cc(/C=C2\CN3CCC2CC3)on1	0
C[C@@H]([NH3+])Cn1ccc2cc(F)c(Cl)cc21	1
COc1ccc(N2C(=N)NC(=[NH2+])NC23CCCC3)cc1	1
COC(=O)c1scc(C#N)c1[N-]N=C(C#N)C(=O)c1ccccc1	-1
CN1CC[NH2+]CC1=O	1
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2F)[C@H]2C=C[C@@H]1C21CC1	-1
Cc1nnc(N2CC[NH+](C)CC2)c2nn(-c3ccc(Cl)cc3)c(C)c12	1
Cc1ccc(S(=O)(=O)N2CCc3cnoc3-c3ccccc32)cc1	0
Cc1nn(CC[NH+]2CCCC2)c(=O)c2nn(-c3ccccc3F)c(C)c12	1
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1	1
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
COc1ccccc1C[NH2+]CCCCCCCCCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1	2
CC(=O)NCCN1CCc2ccc3c(c21)CCO3	0
C/C=C/C(=O)N1CC[NH2+]CC1	1
COc1ccc2c(c1)CN(C(=O)CC[NH+]1CCC(Cc3ccccc3)CC1)CCS2	1
c1cc2nncn2nc1N1CCSCC1	0
CCCc1sc(N2CCC(C(N)=O)CC2)nc1-c1ccccc1	0
CCC[N@@H+](CCO)Cc1cc(Br)ccc1OC	1
O=C(Nc1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1	1
C[C@@H](CCCC(C)(C)O)CC[NH2+]CCC[NH+](C)C	2
O=C(OC(CN1CCCCC1)C[NH+]1CCCCC1)c1ccccc1	1
CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C[NH2+]CCC[N@H+]2C[C@@H]3C=C[C@H]2C3)CC1	2
CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3	0
C[N+](C)(C)C[C@@H]1CCC[C@@H]1O	1
C[C@@](Cc1ccccc1)(NC(=O)C[NH3+])c1ccccc1	1
COC(=O)c1ccc(C[N+](=O)c2ccccc2)cc1	1
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	0
Cc1cccc(N2C(=O)C[C@@H]([N@H+]3CCc4ccccc4C3)C2=O)c1	1
CC(C)(C)NC(=S)N1CCSCC1	0
Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CC2CC[NH2+]CC2)c(Cl)c1	2
Cc1cccc2c(=O)[nH]cc(Br)c12	0
C[NH+](C)C/C=C(/Br)c1ccccc1	1
COC(=O)c1ccn(C(=O)c2ccnn2C)n1	0
CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)CC1(C)C	1
COc1cc(OC)cc(C(=O)Nc2ccccc2C(F)(F)F)c1	0
C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1	1
O=C(NCc1cccc(F)c1)c1cnc2ccccc2c1O	0
Cc1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1[N+](=O)[O-]	0
O=CNc1ccccc1Oc1ccccc1	0
O=C1c2ccccc2C(=O)N1CCc1cn2cccnc2n1	0
O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](C2CCN(C(=O)c3ccccc3Br)CC2)CC1	2
[NH3+]CCCN1CCOCC1	1
NC(=[NH2+])SCCCCCCCCCCSC(N)=[NH2+]	2
CCOc1ccc(-n2nc(C(=O)[O-])c3ccccc3c2=O)cc1	-1
CC1(C)CC(Nc2noc(-c3ccccc3)n2)CC(C)(C)[NH2+]1	1
O=C(COc1cccc2ccccc12)[N-]S(=O)(=O)c1ccccc1	-1
CC[NH+](CC)CC[n+]1c(C)cc(C=C2Sc3ccccc3N2C)cc1C	2
Clc1ccc([C@H]2C[C@@H]3CC[C@H]2[NH2+]3)cn1	1
COc1ccc(NC(=O)c2cccnc2)c(OC)c1	0
CCC(=O)Nc1sc2c(c1C#N)CC(C)(C)[NH2+]C2(C)C	1
C[NH+](C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1	1
COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccncc3)C2=O)cc1	1
CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CC[NH+](C)CC2)no1)c1ccccc1	2
Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1	0
c1ccc2c(c1)ncn2C[NH+]1CCCCC1	1
Cn1c(=O)n(C)c2ccccc21	0
COc1ccc(C[NH3+])c(OC)c1	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
CN1CCN(Nc2[nH+]cnc(NCC[NH+]3CCCCC3)c2N)CC1	2
CC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1	1
O=C(c1ccccc1F)N1CCC([NH+]2CCCCCC2)CC1	1
O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	0
Cc1nn(-c2ccccc2)nc1C[NH3+]	1
O=C1CSc2ccccc2CN1	0
Cc1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[nH+]c1	1
C=C(C)[C@@H]1CC=C(CN(CCC[NH+](C)C)CCC[NH+](C)C)CC1	2
OCC[NH+](CCO)Cc1csc2ccccc12	1
COC1CC[NH+](C[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	1
c1ccc2c(c1)CCC[C@@H]2C1=[NH+]CCN1	1
CC1(C)NC(=[NH2+])NC(=N)N1c1c(Cl)cccc1Cl	1
C[NH+](C)CCNC(=O)c1cccc2ccc(-c3ccncc3)nc12	1
CC(C)Oc1ccc(C[NH+]2CCOc3ccc(C[N@@H+](C)CCc4ccccn4)cc3C2)cc1	2
C[NH+](C)CCC1=Cc2cc(Cl)ccc2Sc2ccccc21	1
CS(=O)(=O)c1ccc(F)cc1	0
Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH+]3CCCC3)C2)c(C)o1	2
COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(NC=O)c2)cc1	1
[NH3+][C@H]1CCCCC1=O	1
COc1cc(Cn2c(-c3ccc(OCC[NH+]4CCCC4)cc3)nc3ccccc32)ccc1C[NH+]1CCCC1	2
COc1ccc(O)c(C(=O)Nc2ccc(Cl)cc2)c1	0
CCn1c(C)n[n+]2c(-c3ccccc3)cc(-c3ccccc3)nc12	1
C[C@@H](Cc1ccc(NC(=O)c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1	2
O[C@@](C#CC[NH+]1CCCC1)(c1ccccc1)C1CCCC1	1
N#Cc1cccc(-c2ccc3c(c2)CC[N@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](CCCCCO)CC2)c1	2
C=CCN1C(=O)NC(=O)C(=C(C)NCC[NH+]2CCCCC2)C1=O	1
CC[NH+]1CCN(c2ccc(/N=C/c3ccccc3O)cc2)CC1	1
CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccn3)=NN12	1
CCOc1cccc(OCC)c2c(C)[n+](C[C@@H]3CCCO3)c(C)c1-2	1
Brc1cc[n+]2ccccc2c1	1
C[n+]1cc(Br)c2ccccc2c1	1
COc1cc([C@H](C)[NH2+]C2CCC(O)CC2)cc(OC)c1OC	1
Cc1c(C)c2cccnc2c2ncccc12	0
C[NH2+]C1CCN(C(C)=O)CC1	1
Cc1ccnc2c1ccc1c(C)ccnc12	0
C[N@H+]1Cc2sc(N)c(C#N)c2CC1(C)C	1
C[C@H](C(=O)N(C)O)c1ccc2cc(OCc3nc4ccccc4s3)ccc2c1	0
COC(=O)c1cccc(C[NH3+])c1	1
Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)c1	1
CC[NH+](CC)CCSCCNc1c(C)c[nH+]c2ccc(Cl)cc12	2
O[C@@H]1CCC[N@H+](C2C3CC4CC(C3)CC2C4)C1	1
COc1ccc(NC(=O)COc2ccccc2C(=O)[O-])cc1	-1
CC[C@@H]1C[C@H](C#N)[C@@H]1[NH+]1CCCCC1	1
CCOC(=O)[C@@H]1CCCC[C@@H]1[NH3+]	1
Fc1ccc(COc2ccccc2C[NH2+]CC2CC[NH2+]CC2)cc1	2
COc1ccc(Cn2c(-c3ccc(Cl)cc3)c[n+]3ccccc23)cc1	1
CCc1[nH]c(=O)n(C(=O)C(C)C)c1C(=O)c1ccc(-n2cc[nH+]c2C)cc1	1
CCC[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)c1ccc(OC)c(OC)c1)C2	1
CCCC[NH+](CCCC)CCC[NH2+]C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	2
O=C(Cc1ccccc1)Sc1nc2ccccc2[nH]1	0
CC[C@@](CO)(C(=O)O[C@@H]1C[N+]2(C)CCC1CC2)c1ccccc1	1
Cc1cc(C(=O)C(C#N)=NNc2cccc(Cl)c2)n(C(C)(C)C)n1	0
CC1=[N+](CCO)c2ccccc2C1(C)C	1
CC1(C)CCC[C@@H]1CNC(=O)c1ccc(-c2noc(CCC(F)(F)F)n2)cc1	0
CC[C@@H](C)[C@@](C)([NH3+])CO	1
CC(C)[N@H+]1CCc2c(sc(N)c2C#N)C1	1
COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1OC	1
O=C(c1cc(F)ccc1Cl)n1cccn1	0
COc1cc(OC)c(C(=O)CCC[NH+]2CCCC2)c(OC)c1	1
O=C(CC[N@@H+]1CC=C(c2ccccc2)CC1)NCc1ccccc1	1
O=C1c2ccccc2-c2nc3ccccc3cc21	0
CC(=O)c1c(C)cc(C)n(C)c1=O	0
Cc1ccc([C@@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1	1
COc1ccc(CCNS(=O)(=O)c2ccc(SC)cc2)cc1	0
C/C(=C/c1cn(C)cn1)C[NH3+]	1
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1	0
C(=C/c1ccccc1)\C[NH+]1CCN(c2ncnc3sc4c(c23)CCCC4)CC1	1
O=C1C[C@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(N2C(=O)C[C@@H]([NH2+]CC3CCCCC3)C2=O)cc1	2
COc1c2c(cc3c1[C@H](C[C@@H](C)O)[N@@H+](C)CC3)OCO2	1
c1ccc2c(c1)C[N+]1(CCOCC1)C2	1
NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC[NH3+])CC2)c1	2
C[C@H]1COC[C@@H](C)N1C(=O)C[n+]1ccc(-c2cc[n+](CC(=O)N3[C@@H](C)COC[C@H]3C)cc2)cc1	2
O[C@@H](C[NH2+]C[C@H]1CCCO1)Cn1c2ccccc2c2ccccc21	1
CCOC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1	0
COC(=O)c1ccc(C[n+]2ccc3ccccc3c2)cc1	1
O=C(Cc1cccc2ccccc12)Nc1ccc(Br)cn1	0
Cc1nc([C@H]2C[NH+]3CCC2CC3)no1	1
COc1ccc(/C=[NH+]/CCC23CC4CC(C2)CC(CC/[NH+]=C/c2ccc(OC)cc2)(C4)C3)cc1	2
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@H+]2CCC[C@@H]12)[C@H](C)O	1
CC(=O)c1ccc2c(c1)N(CCC[NH+]1CCC(CCO)CC1)c1ccccc1S2	1
O=c1oc2cc(OCC[NH+]3CCCC3)ccc2c(-c2ccc(OCC[NH+]3CCCC3)cc2)c1-c1ccccc1	2
C=CCc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)c(OC)c1	0
O=C([O-])c1ccc(CSCc2ccco2)cc1	-1
CSc1nn(-c2ccccc2)c(C)[n+]1-c1ccccc1	1
CCc1cccc(CC)c1N1C(=[NH2+])NC(=N)NC1(C)C	1
CCc1c(C(=O)c2ccccc2)oc2c(C)c3oc(=O)cc(C)c3cc12	0
CC[C@@H](c1nnc(SCC[NH2+]CCO)n1-c1ccccc1)[NH+](C)C	2
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	1
Cc1cc(C)cc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	1
O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1	1
Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COC1CCCCC1	1
CCOc1ccc2[nH+]c3cc(NN=C4C(=O)C(C)=CC(C[NH+](CC)CC)=C4C)ccc3c(N)c2c1	2
Cc1cccc(C)c1NC(=O)CN1CCCC1	0
Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N	0
CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccn2)[C@@]1(C)O	0
CC(=O)Nc1ccc(C(=O)NC2=NCCS2)cc1	0
CC(C)(C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1	1
C[NH+](C)CCCn1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21	1
Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1	2
COc1nc(Cl)nc(Nc2ccccc2-c2ccccc2)n1	0
CC[N+]1=C(c2ccccc2)c2cc(OC)c(OC)cc2CC1	1
COc1ccc(CN(CC[NH+](C)C)c2ncccn2)cc1	1
c1cncc(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)c1	1
CN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1c(F)cccc1Cl	1
COc1cc(C[NH2+]C2CCCCCC2)c([N+](=O)[O-])cc1OC	1
Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)cc3)sc21	0
Cc1c(Cl)cccc1NC(=O)CSC(N)=O	0
Cc1cc(C(=O)NCc2oc(C(C)(C)C)cc2C(=O)[O-])c(C)o1	-1
c1ccc(-n2ccnc2)cc1	0
O=C1C[C@@H](c2nc(-c3ccccc3)cs2)C2(CCCCC2)O1	0
CC(=O)NCCCC[NH3+]	1
CC(C)[NH+]1CCC(Oc2ccc(C[NH+]3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)CC1	2
CCN(CC)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	0
CN(C)Cc1cc(C[NH+](C)C)c(O)c(CCc2ccccc2)n1	1
Cc1ccc(CN2C3=[NH+]CCN3c3ccccc32)cc1	1
Cc1ncc([N+](=O)[O-])n1Cc1ccc(Cl)cc1	0
CCn1ccc2[n+](CCCCCCCCC[n+]3c4ccn(CC)cc-4c4ccccc43)c3ccccc3c-2c1	2
Clc1ccccc1CC1=[NH+]CCN1	1
COc1ccccc1N1C(=N)NC(=[NH2+])NC12CCCCC2	1
COc1cc2c(cc1OC)CN(Cc1cc(Br)c(O)c(OC)c1)CC2	0
CC(C)(C)OC(=O)N1CCC(c2cnc[nH]2)CC1	0
COc1ccccc1CNc1ccc2c(c1)[nH+]cn2C	1
COc1ccc2[nH]cc(C[C@@H]3CCC[N@H+]3C)c2c1	1
CCC(=O)C[n+]1ccccc1	1
Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCCN1CCC([NH+]3CCCCC3)CC1)O2	1
CC(=O)C[C@@H]1CCCC[NH2+]1	1
CCN(CC)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	0
CCOC(C[NH3+])OCC	1
C[NH+]1CCN(C(=S)c2ccc(OCc3ccccc3)cc2)CC1	1
Cc1noc(-c2ccccc2)c1NC(=O)N1CC[NH+](C)CC1	1
CC(C)[NH+]1CCC(N(C)C(=O)CNC(=O)C[NH3+])CC1	2
C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	1
O=C(NC1Cc2ccccc2C1)c1ccc(F)cc1	0
Cn1c(=O)c2c(nc(N3CC[NH+](C)CC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O	1
CC(C)(C)OC(=O)N(CCC[NH3+])CCCCN(CCC[NH3+])C(=O)OC(C)(C)C	2
COC1=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@@H]3[C@H]1O)OCO4	1
COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCC4)[C@H]3C2=O)cc1	0
C[NH+](C)CCc1c[nH]c2ccc(O)cc12	1
CCOc1cc([C@@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)ccc1O	1
[NH3+]CC1CCC(C(=O)Oc2ccc(CCC(=O)[O-])cc2)CC1	0
C=C(C)CN(CC)C(=O)C1CC[NH+](Cc2ccccn2)CC1	1
Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1	1
C[N@H+]1CCc2cc(Cl)c([O-])cc2[C@H](c2cccc3c2OCC3)C1	0
CC[NH+](CC)CC(C)(C)CO	1
NC(=[NH2+])[C@@H](O)c1ccccc1	1
[NH3+]Cc1cccc(Cl)c1	1
[NH3+]C1CCC(CO)CC1	1
Cc1n[nH]c(C)c1Cl	0
CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1	0
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Cl)cc1	0
CN(C(=O)CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1	2
Cc1nc2n(C)c3ccccc3n2c1C(=O)OCC[NH+]1CCCCC1	1
CC(C)[NH2+]C[C@@H](O)COc1cccc2[nH]ccc12	1
COC(=O)c1ccc([C@@H](C)[NH+](C)C)o1	1
NCC(F)(F)CC[NH3+]	1
CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1	0
C1=[NH+]CCCN1Cc1cccnc1	1
NCC(=O)CC[NH3+]	1
C[C@H]1CC[N@H+]2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C	1
CN(C)C(=O)c1ccc(CC2CC[NH2+]CC2)cc1	1
O=C(c1c(Cl)nc(Cl)c(Cl)c1Cl)N1CCOCC1	0
Cc1ccc(/C=N/N(C)C2=[NH+]CCN2)o1	1
CC[NH+](Cc1cnn(C)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1	2
CCC[NH+](CCCCCCC[N@H+](CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1	2
C[NH+](C)CCc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1	2
CC[NH2+]CCOCC	1
COc1ccc2cc(C(=O)Nc3cc(C)on3)sc(=O)c2c1OC	0
COC(=O)[C@H](Cc1cnc[nH]1)NCc1ccccc1	0
O=C(c1sc2cc(Cl)ccc2c1Cl)N1CC[NH2+]CC1	1
C(=N/c1nc2ccccc2n1CC[NH+]1CCCCC1)\c1cccs1	1
C[NH+](C)CC[C@](O)(c1ccccc1)c1cccnc1	1
[NH3+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	1
CC(C)(CO)[NH2+]C[C@@H](O)c1ccccc1	1
Cc1ccc(NC(=S)N2CCC([N@H+](C)C(C)C)CC2)cc1	1
OC1C[C@@H]2CC[C@H](C1)[N@H+]2CCc1ccccc1	1
CCCC[NH+](CCCC)CCCOC(=O)c1ccc(C[NH+](CC)CC)cc1	2
CN1[C@H]2CC[C@@H]1CC([NH2+]CCc1ccccc1)C2	1
C[C@H]1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C2(CCCC2)O1	-1
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	0
CC[NH+](CC)CCCOC(=O)c1ccc2c(c1)-c1ccc(C(=O)OCCC[NH+](CC)CC)c3cccc-2c13	2
c1ccc2c(N3CC[NH2+]CC3)n[nH]c2c1	1
CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4ccc(F)c(F)c4)CC3)cc2)CC1	2
CC(C)(C)OC(=O)N[C@@H]1CCOC1=O	0
COC(=O)C1[C@@H](C)C(C)[C@@H]1C	0
COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC	1
Cc1c(C(=O)CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cnn1CCO	1
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@H]12	0
CC(C)OCC[NH3+]	1
CCCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)nc12	0
CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1cc[nH+]c1C	2
C[NH+](C)CCCN(CCC[NH+](C)C)CC(c1ccccc1)c1ccccc1	2
CO/N=C(\C)c1scnc1C	0
CC(=O)N1CCC([NH2+]CCc2ccccc2)CC1	1
CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1	2
CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O	0
CO[C@@]1(c2nccs2)CCc2ccc(OCc3ccc4ccccc4c3)cc21	0
O=[N+]([O-])c1ccn(Cc2ccc(Cl)cc2)n1	0
OCC[NH+](CCO)Cc1cc(F)ccc1F	1
CC[NH+]1CCN(c2nc3cc4c(cc3cc2C[NH2+][C@@H]2CCOC(C)(C)C2)OCO4)CC1	2
C/[NH+]=C(/c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]/C)N4CCOCC4)cc3)cc2)cc1)N1CCOCC1	2
COc1ccc(C(=O)NCC2CC[NH+](C3CC[NH2+]CC3)CC2)cc1OCCc1ccc(Cl)cc1Cl	2
Oc1ccccc1-c1nnco1	0
COc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)c(OC)c1	0
C=C1CC2(CC[NH+](C)CC2)O[C@@H]1C	1
CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1	1
C=CC[n+]1ccn(CC)c1	1
O=C([O-])CCc1ccc(-c2cccs2)o1	-1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)CSc1nnc(N)s1)C2	1
C[NH+](C)CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1	1
Cn1c(NCc2c[nH]c3ccccc23)[nH+]c2ccccc21	1
CC[C@@H](C(=O)NCCCCCCNC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C	2
C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@H+]3CC[C@H](OC1=O)[C@H]23	1
CCOP(=O)(OCC)C(C)(C)[NH2+]CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	2
COc1ccc2[nH+]c(C)c3c(c2c1)O[C@@H](C)C3	1
Cc1cc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc(C)c1Cl	0
C[C@@H]([NH2+]Cc1cccn1CC[NH+]1CCOCC1)c1ccccc1	2
O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2[NH+]1CC1CCCCC1	2
CCCCC[NH2+]CCO	1
Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2Cc1ccccc1	1
Cc1cc(C[C@@H](C)CC(C)(C)C)n(O)c(=O)c1	0
Nc1ccc(Cl)cc1C(=O)C[C@H]([NH3+])C(=O)[O-]	0
O=C(OCC[NH+]1CCCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1	1
Nc1nc2c(ncn2[C@@H]2C=C[C@H](CO)C2)c(=O)[nH]1	0
CN1C(=O)C(C)(C)c2cccnc21	0
CO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@H](C)O1	-1
Cc1n(C)c2ccccc2[n+]1CS(C)(=O)=O	1
COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc3ccccc23)cc1OC	1
COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	0
CCOC(=O)c1c(NC(=O)NCC2CC[NH2+]CC2)sc2c1CCCC2	1
CCn1c(C)[n+](CC)c2cc(C(=O)N(C)C)ccc21	1
CCOc1ccc(/C=C/C(=O)Nc2cc(C)ccc2OC)cc1OC	0
[NH2+]=C(CS)NC1CCCC1	1
Cc1ccc2nc(Nc3ccccc3)cc(C)c2c1	0
CN1CC[N+](C)=C1F	1
Cc1sc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C	0
CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(=O)O2	0
COc1ccc2cc3c(N)n[nH]c3nc2c1	0
C[N+](C)(C)Cc1c[nH]c2ccccc12	1
O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3	0
Cc1ccc(C(N)=[NH2+])cc1	1
CCOC(=O)Nc1cccc(Cl)c1C	0
Nc1nnc(CCSc2ccc(Br)cc2)s1	0
C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\N1CC[NH+](C)CC1	1
O[C@@H](COc1c2ccccc2[nH+]c2ccccc12)C[NH+]1CCN(c2ccccc2)CC1	2
CCC[n+]1cccc2cc(OC)ccc21	1
O=C(c1ccccc1)N1CC[NH2+]CC1	1
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CO2	2
C[NH2+][C@@]1(C)CCS(=O)(=O)C1	1
Cc1ccc[n+](CC(N)=O)c1C	1
CC[N+](C)(CC)CCNC(=O)Nc1ccc(C)c(NC(=O)NCC[N+](C)(CC)CC)c1	2
C[C@@H](CN1c2ccccc2S(=O)(=O)c2ccccc21)C[NH+](C)C	1
c1csc(CC2=[NH+]CCN2)c1	1
C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]CC1CCC(C)CC1	2
COC(=O)c1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1	1
Cc1cc(C)nc(NCCc2ccc(O)c(O)c2)n1	0
Cc1ccccc1NC(=O)CC#N	0
CCSc1nc2ccccc2n1CO	0
CC(C)NC(=O)c1no[n+]([O-])c1C(=O)NC(C)C	0
COC(=O)[C@@H](C[NH3+])c1c[nH]c2ccc(OC)cc12	1
CC(C)CC[NH2+]CC(C)(C)O	1
COc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1OC	1
CN(C)c1ccc(/C=C/C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1	1
CC(C)(C)C(=O)C[NH3+]	1
COc1ccc([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)cc1	1
c1ccc2c(c1)O[C@H](CCC[NH+]1CCCCC1)c1ccccc1S2	1
CCOC(=O)C[n+]1c(-c2ccc(C)cc2)n(C)c2ccccc21	1
CCn1c(C)[n+](CC)c2ccccc21	1
Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(C)o1	0
c1nc(NCN2CCCCC2)c2ncn(C[NH+]3CCCCC3)c2n1	1
C[NH+]1CCN(C(=O)CCCc2cn(C[N@H+]3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c3ccccc23)CC1	2
O=C([C@@H]1C[C@@H]1c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C1CC[NH2+]CC1	2
O[C@@]1(c2ccc(F)cc2)C[n+]2ccccc2N1c1ccccc1	1
Cc1ccc(NC(=S)N2CCCCCC2)cc1	0
COc1ccc(CC#N)c(O)c1OC	0
CCOC(=O)c1cnc2c(CC)cccc2c1N1CC[NH+](C)CC1	1
CC1=C(C#N)C(=O)N(C)C(=O)C1=C[NH2+]Nc1ccc(C)c(C)c1	1
CC(=O)Nc1ccc2nc(SCC(=O)c3ccc4ccccc4c3)sc2c1	0
COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	0
CCC[NH+]1CCC(N2CCN(c3ccccn3)CC2)CC1	1
C[NH+]1CCC(CNC(=O)Nc2csc3ccccc23)CC1	1
CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)C(=O)C2	0
CCN(CC[NH+](C)C)c1cc(-c2cccnc2)[nH+]c2ccccc12	2
[NH3+]CCc1cc(O)c(O)cc1O	1
CN1c2ccccc2N(C)C1c1cccs1	0
N#Cc1ncc(Br)cn1	0
O=c1c(-[n+]2ccccc2)cc2[nH]c3ccccc3c2n1-c1ccccc1	1
CN(C)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)cc4)cc3)cc2)cc1	2
Cc1cccc(C[N@@H+]2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCC[NH+](C)C)c1	2
[NH3+][C@@H]1c2ccccc2C[C@@H]1O	1
OC1CC[NH+](Cc2cc(Br)cs2)CC1	1
CC(C)Oc1ccc(Cc2ccc(NC3=[NH+]CCN3)cc2)cc1	1
CC(=O)N1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1	1
Cc1sc(NC(=O)c2ccccc2C(=O)[O-])c(C#N)c1C	-1
COc1ccc(C=C2SC(=O)N=C2Nc2ccccc2)c(OC)c1	0
COc1ccc(/C=[NH+]/CC2(c3ccccc3)CCCC2)cc1OC	1
CC1(C)CC(Nc2ncnc3sc4c(c23)CCCC4)CC(C)(C)[NH2+]1	1
CC[NH2+]C[C@@H]1CCCN1C	1
Cc1cc(=O)oc2cc(NC(=O)C[NH3+])ccc12	1
CCN(CC)C(=O)O[n+]1ccccc1C(C)C	1
CC[NH+](CC)CCNC(=S)N/N=C(C)\C(C)=N\NC(=S)NCC[NH+](CC)CC	2
CN1C=NC(=S)C1C[C@@H](C(=O)[O-])[NH+](C)C	0
S=C(Nc1ccccc1)c1ccccc1	0
O=C([O-])CCSC1=CCS(=O)(=O)c2ccc(Cl)cc21	-1
CCOC(=O)c1ccc(C[NH3+])o1	1
C#C[C@@](C)(CC)NS(=O)(=O)c1c(C)ccc2nsnc12	0
CC[N@@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(Cl)cc1	2
NC(=O)C[NH+]1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1	1
C[N+]1(C)Cc2cc3ccccc3c(Cl)c2C1	1
Nc1ccc(C(=O)NCCC(=O)[O-])cc1	-1
Cn1cccc1C[NH2+]C[C@@H]1CCCO1	1
COc1cc(C[NH+]2CCC(c3nnc(SCC[NH+]4CCCCC4)n3C)CC2)cc2c1OCO2	2
C[NH2+]CCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1	2
COc1cc(C=O)ccc1OC1=NS(=O)(=O)c2ccccc21	0
Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1	1
COC(=O)Cc1c(C)c2ccc([O-])c(C[NH+]3CCCCC3)c2oc1=O	0
CNC(=O)Oc1ccc(-c2c[n+]3cc(Cl)ccc3n2C)cc1	1
CC(C)(C)[NH2+]CCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc12	1
COc1ccc([N+](=O)[O-])cc1C(F)(F)F	0
C[N@H+](Cc1ccccc1-c1nc(C[NH3+])cc(=O)[nH]1)C[C@@H]1COCCO1	2
C[N+](C)(C)c1cnc(N)nc1	1
C[C@@H](C[NH+](C)C)OC(=O)c1ccc2c(c1)OCO2	1
Cc1ccccc1NC(=[NH2+])Nc1nc(C(F)(F)F)cc(=O)[nH]1	1
CCOC(=O)N1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1	1
CCCCOCC[NH3+]	1
CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cc1OC	2
CC1(C)CC(=O)c2c(n[nH]c2-c2ccc(F)cc2)C1	0
OCC[NH2+]Cc1ccccn1	1
O=C(Oc1ccccc1O)c1ccccc1	0
C[NH+](C)CCN[C@@H]1C[NH2+]C[C@@H]1Cc1cccc(N)n1	2
C[C@@H]1CC(=O)CC[NH2+]1	1
COCC(N)=[NH2+]	1
C[N@@H+](Cc1cc(Br)cc(Br)c1N)C1CCCCC1	1
COC(=O)c1c(C[NH+]2CCCC2)n(C)c2cc(Br)c(OC)cc12	1
Cc1ccc(S(=O)(=O)CCc2nnc(-c3ccccc3)o2)cc1C	0
C[NH2+]Cc1ccccc1O	1
C[NH+](C)CC[C@@H]1Sc2ccccc2Sc2ccccc21	1
O=C(NCc1ccccc1)O[C@@H]1CCN2Cc3ccccc3[NH+]=C12	1
O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1	1
C[C@H](Nc1ccc(Cl)cc1)c1ccncc1	0
Cc1cccc(C)c1NC1=[NH+]CCCS1	1
Fc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1	0
CC(=O)N1CCC[NH+](Cc2ccccc2OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1	2
NC(=O)C1([NH2+]C2CCCCC2)CCCCC1	1
c1ccc(-c2nc3ccccc3[nH]2)cc1	0
CC(C)(C)C(=O)NC(=S)N1CCOCC1	0
Cc1cc(C)n2nn[n+](Cc3ccccc3)c2n1	1
CC(C)c1c[n+]2cccc(C(=O)ON(C)C)c2n1C	1
CCN(CC)C[C@H]1CC[NH2+]1	1
c1ccc(C[NH+]2CCN(c3nnc(-n4cccc4C[NH2+]CCCN4CCOCC4)s3)CC2)cc1	2
CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(F)cc1F	1
CC[NH+](CC)C[C@@H](O)CNC1=NS(=O)(=O)c2ccccc21	1
COc1ccc(C2=N/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)C(=O)O2)cc1	0
CC(C)(C)[N+](=O)Cc1ccc(OCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	2
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cc[nH+]cc1	0
Cc1ccc(C)c(COc2ccc(C)[nH+]c2N)c1	1
O=C(NC1CCCCC1)c1cccc(Cl)c1	0
O=C(c1ccccc1)[C@@H](CCCC[C@@H](C[NH+]1CCCCC1)C(=O)c1ccccc1)C[NH+]1CCCCC1	2
NC(=[NH2+])SCc1nc(-c2ccc(Cl)cc2)no1	1
CCN1c2ccccc2N[C@@H]1SCC(=O)Nc1ccc(Cl)cc1	0
O[C@@H]1CSc2cccc[n+]2C1	1
C[NH+](C)CCCOc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(OCCC[NH+](C)C)cc6)[nH]c5c4)cc3[nH]2)cc1	2
O=C(/C=C/c1ccco1)Nc1ccc(Br)c(Cl)c1	0
Cc1cc(Br)ccc1OC(=O)/C=C/c1ccccc1	0
CN(C)S(=O)(=O)Nc1cccc(N)c1	0
OC[C@@H]1CCC[N@H+]1CC1CC1	1
O[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)C(F)(F)F	1
O=[N+]([O-])/C=C/c1c(Cl)cccc1Cl	0
Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2C2CC[NH+](Cc3ccco3)CC2)on1	2
O=C1C=CC(=O)N1c1ccccc1Cl	0
CN(C)c1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1	2
COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(OC)c1	1
CC[N+]1(Cc2cc(CCC(=O)OC)ccc2OC)CCCCC1	1
CC(C)[C@@H]([NH3+])C(=O)OC(C)(C)C	1
CCS(=O)(=O)N1CC[NH2+]CC1	1
C[n+]1cncc(-c2ccccc2)c1	1
C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccccc1	1
O=C1/C(=C/c2ccccc2)COc2ccccc21	0
O=C(N[C@@H]1CCSC1=O)c1ccccc1	0
CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N1CCc3ccccc3[C@@]12C	1
Cc1cc(O)c2c(=O)c3ccoc3c(OC[C@H](O)C[NH2+]C(C)C)c-2o1	1
O=C([C@@H]1CCC[N@@H+](Cc2ccncc2)C1)N1CCc2ccccc2C1	1
Cc1cc(N2CCCC2)c2ccccc2[nH+]1	1
CC[C@@]1(C)Cc2c(c([NH+]3CCOCC3)[nH]c(=S)c2C#N)CO1	1
COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCC1	0
NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1	1
COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]C2CC[NH+](C)CC2)cc1	2
C=C1CC[C@](C(=O)OCC)(c2ccccc2)c2cc(OC)c(OC)cc21	0
Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cccn3-c3ncccn3)CC2)o1	2
Cn1c(=O)c2c(nc(SCC[NH+]3CCCCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O	1
CCN(CC)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([NH+](CC)CC)C3=O)cc2)C1=O	1
S=C1N=NC(c2ccccn2)N1Cc1ccccc1	0
COc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1O	1
O=C(CC[NH+]1CCCCCC1)Nc1cccc(F)c1	1
O=c1c(C[NH+]2CCN(c3ccccn3)CC2)cc2ccc(F)cc2n1CC[NH+]1CCCCC1	2
O=c1c(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3	2
CCCN1CCC([N@@H+](CCO)Cc2ccccc2)CC1	1
Cc1ccc(NC(=O)[C@H]2CC2(C)C)cc1	0
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	0
O=C(Nc1ccccn1)c1ccc(S(=O)(=O)c2ccccc2)cc1	0
O=C(c1ccc([N+](=O)[O-])cc1)N1CCOC12CCCCC2	0
CCN1C(=O)c2cc(N)cnc2Oc2cc(C)cc(C)c21	0
CCOc1c(Cl)cc(C[NH2+]Cc2ccncc2)cc1OC	1
O=[N+]([O-])N(CCc1ccncc1)c1ccc(OCc2ccccc2)cc1	0
CCCCN(NC(=O)[C@H](CCC)N1CC[C@@](CCCNC(N)=[NH2+])([NH2+]CCCC2CCCCC2)C1=O)C(=O)OCC	2
CC(C)CCn1c(Nc2cccc3ccccc23)[nH+]c2ccccc21	1
O=C1NC(=O)c2c1c1c([nH]c2=O)CCCC1	0
C[N+](C)(C)CCNC(=O)c1cc[n+](Cc2ccccc2)c(/C=N/[O-])c1	1
COc1cccc(NC(=O)c2nc(N)nc(Nc3ccccc3)n2)c1	0
O=c1cc(-c2ccccc2)sc2ccccc12	0
O=C1OCc2cc(-n3cnnn3)ccc21	0
O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1	2
COc1cc(C[N@@H+](C)C2CCN(C)CC2)cc2c1OCO2	1
Cn1cccc1C[NH3+]	1
COC(=O)[C@H]1C[NH+]2CCC1CC2	1
C[NH+]1CCN(CC[NH2+]Cc2cccn2-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)CC1	2
COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCC(N)=O	1
CC[C@@]1(C)C[C@](CC[NH3+])(c2ccc(C)cc2)CCO1	1
COc1ccc(OC)c([C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c1	1
CCOc1ccccc1NC(=O)c1cc2cccc(OC)c2oc1=O	0
C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)NCCc3cnc[nH]3)C[N@@H+](Cc3ccc4ccccc4c3)C2)CC1	2
O=C1[C@H]2CC3C[C@@H]1C[N@H+](C3)C2	1
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+](C)Cc3ccccc3)cc2)CC1	2
c1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1	1
C[NH+](C)CCNc1cc(-c2cc(Cl)ccc2Cl)nc2ccccc12	1
CCCc1cc(N2CC[NH+](CC)CC2)n2c(nc3ccccc32)c1C#N	1
[NH3+]CCCO	1
Cc1nnc(NC2CCCC2)s1	0
CC(C)(C)OC(=O)NC1CCN(C(=O)CSCC(=O)[O-])CC1	-1
Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(Br)cc3)c2c1	1
CCOc1c(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)cc1OC	2
C[NH+]1CCN(c2cc(-c3cccnc3)nc3ccccc23)CC1	1
Fc1ccccc1Nc1nc(-c2ccc(Br)cc2)cs1	0
CC1(C)C[C@@H]([C@@H](CC[NH3+])c2ccc(F)cc2)CCO1	1
CC1(C)NC(=O)N(Cc2ccccc2)C1=O	0
C[N@@H+](C[C@@H](O)COc1ccc2c(c1)OCO2)C1CCCCC1	1
CC[NH+](CC)CCSc1nnc(Nc2ccccc2)n1-c1ccccc1	1
O=C1Cc2ccccc2Sc2c(OCC[NH+]3CCCCC3)cccc21	1
[NH3+]CCCN1CCC[N@H+]([C@@H]2CCS(=O)(=O)C2)CC1	2
CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	1
Cc1c(C#N)c2ncn(CCC[NH+](C)C)c(=O)c2n1-c1ccccc1	1
Cc1cn2c3ccccc3n(C)c2[nH+]1	1
O=C(Nc1nccs1)C1CCCC1	0
Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCC[NH+]4CCOCC4)C3)C2)c1	2
O=C([O-])CCC(=O)c1ccc2c3c(cccc13)CC2	-1
C[n+]1ccc(C(C)(C)C)nc1	1
COc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1	1
CC[N+](CC)(CC)CCO[C@@H](C)C[N+](CC)(CC)CC	2
CC(C)(C)c1cc(N)cc[nH+]1	1
O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccccc1Oc1ccccc1	0
c1ccc2nc(N3CC[NH2+]CC3)ccc2c1	1
CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)c(OC)cc1C	1
Cc1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C	0
O=C([O-])CCCC(=O)Nc1ccc2c(c1)C(=O)OC2	-1
NC(=[NH2+])Nc1nc2ccc(Cl)cc2[nH]1	1
[NH3+]CC1=CSC2=NCCN12	1
OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)[C@@H]1C[NH+]2CCC1CC2	1
COCC[N@H+](Cc1nc(C(C)C)cs1)CC1CC[NH+](Cc2ccccc2F)CC1	2
C[NH2+][C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1C	1
CCC(CC)n1c(C)cc2c3c(N)nc(N)nc3ccc21	0
COc1ccc(C=Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc1	0
O=C(Cn1nnc2ccccc21)c1ccc([N+](=O)[O-])cc1	0
CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc(C)c1C	0
CCC1=[N+](CC)CCN1CC	1
O=C(CSc1nc2ccccc2[nH]1)NCc1ccco1	0
CC[NH+](C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)CC(C)(C)CO	2
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1	2
CN(C)/C=[NH+]/Cc1ccccc1OC(F)(F)F	1
Cc1cccc(-n2cc(C[N@@H+](C)CCn3cc[nH+]c3C)c(-c3cccc(F)c3)n2)c1	2
Cn1cc(CCc2cc[n+](CCC[n+]3ccc(CCc4cn(C)c5ccccc45)cc3)cc2)c2ccccc21	2
[NH3+]Cc1nc2ccccc2s1	1
Clc1ccc2c(N3CC[NH2+]CC3)ccnc2c1	1
C=C1[C@@](O)(c2ccccc2)C2CC[N+]1(C)CC2	1
CC(=O)Oc1ccccc1C(=O)n1cnc2ccccc21	0
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3Cc1ccc(OC)c(OC)c1	1
Cc1cccc(C[C@@H](CC(=O)[O-])C(=O)Nc2cccc(Cl)c2C)c1	-1
COc1ccc(/C=C2\Cc3cccc4c([N+](=O)[O-])ccc2c34)cc1	0
CC[N+](C)(CC)CC(C[N+](C)(CC)CC)OCc1ccccc1	2
CCOC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1	1
C[NH+](C)CCC[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCO3	2
NC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O	0
O=c1[nH]c(=O)n(Cc2c(Cl)cccc2Cl)cc1F	0
O=[N+](CCO)Cc1ccccc1	1
Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1	1
CC(C)C[NH+](CC#C[C@@H](CO)[NH2+]Cc1ccccc1)CC(C)C	2
N#Cc1ccc(C(=O)CC2CC[NH+](CC3CC3)CC2)cc1	1
CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)NC1=S	-1
CC(C)n1c(SCC(=O)c2ccccc2)nc2cc(Cl)ccc21	0
C[N+](C)(C)C[C@@H](O)CC#N	1
C[N@H+]1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13	1
C[NH+](C)CCC#N	1
O=C1c2ccccc2C(=O)N1c1ccccc1Cl	0
C[NH+](C)CCN(Cc1ccc(Cl)s1)c1ccccn1	1
C[NH+]1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCCC2)CC1	2
[NH3+][C@@H](CCc1ccc(F)cc1)c1ccc2c(c1)OCCO2	1
C[C@@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(O)(c2ccccc2)CC1	1
C[n+]1cccc2[nH]c(=O)[nH]c21	1
O[C@H](C[NH2+]C1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21	1
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C	-1
Cc1ccc(NC(=O)c2ccc(F)cc2)c(F)c1	0
Nc1cc(N)[nH+]cn1	1
CSc1nsc(SC)c1NC(=O)N1CCCCC1	0
Cc1nn(-c2cccc[n+]2C)c2ncccc12	1
Cn1c([C@](O)(CC[NH+](C)C)c2ccccc2)nc2ccccc21	1
CC(C)(C)NC(=O)Cc1ccccc1	0
CC1CCC([NH+]2CCN(C=O)CC2)CC1	1
CC(C)(C)c1cc(N)nc(N)[nH+]1	1
C[C@@H]1CCc2ccccc2N1C(=[NH2+])N(C)C	1
NC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1	1
CC(C)(C)c1ccc(-c2nn[nH]n2)cc1	0
[NH3+]CCCC[C@H](C(=O)NCc1ccc(C[NH3+])cc1)n1cccc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1	2
C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1)C(=O)CCC1CCCC1	2
COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2	0
C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1	1
CCN1CCC([N@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)CC1	1
COc1ccc(CN2c3cccc[n+]3C[C@]2(O)c2ccc(Cl)cc2)cc1	1
C[N@H+]1CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1	1
C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CC2CC2)cc1	2
COc1cc(Nc2nc(-c3ccccc3)cs2)c(OC)cc1Cl	0
CN(C)C(=O)N1CC[NH+](C)CC1	1
CS(=O)(=O)c1nnnn1-c1ccccc1Cl	0
Cc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	0
Cc1cccc(CC(N)=[NH2+])c1	1
[NH3+]CCc1c[nH]c2c(Cl)ccc(Cl)c12	1
COc1ccc2occ([C@@H](C)[NH3+])c2c1	1
CC(C)(O)C1CC[N+](C)(C)CC1	1
Cc1ccnc(NC(=O)C(c2ccccc2)c2ccccc2)c1	0
NNc1nc(Nc2cccc3ccccc23)nc(NN)[nH+]1	1
O/N=C1/C[NH+]2CCC1CC2	1
CN1C=CC(=C/C=C2/C=Nc3ccccc32)C=C1	0
Cc1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1	1
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C#N)cc2F)CC1	1
Cc1nc(C2CC[NH2+]CC2)ncc1-c1nc(N2CC[NH+](C)CC2)ncc1-c1ccc(F)cc1	2
[NH3+]C[C@H]1COc2ccccc2O1	1
C1CCN2C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@H]2C1	1
COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1	1
c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)oc3nccc(NCCN4CC[NH2+]CC4)c23)cc1	2
CCC[N@@H+](CC1CC1)[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
C[N+](C)(C)c1cccc(C(=O)NO)c1	1
CC(C)[NH2+]C[C@@H](O)COc1cccn2nccc12	1
COc1ccc(C)cc1NC(=O)C(c1ccccc1)c1ccccc1	0
COc1ccc(C[NH2+]CCc2cccc(C)n2)cc1OC[C@@H](O)C[NH+]1CCCCC1	2
Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cc[nH+]cc1	1
COC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1	0
Cc1ccc(-c2c[n+]3ccccc3n2-c2ccc(Br)cc2)cc1	1
NC(=[NH2+])c1ccc(N2CCC(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	1
CCCc1cc([C@H]2CCC[N@H+]2C)on1	1
C[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1	1
OCC[NH+]1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1	1
NC(=[NH2+])C12CC3CC(CC(C3)C1)C2	1
CC(C)=C1C(=O)[N-]N(c2ccccc2)C1=O	-1
CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)CC1	2
O=c1oc2ccccc2c2c1ncn2CC[NH+]1CCCC1	1
CCOc1cc(CNc2ccc([NH+](CC)CC)cc2)ccc1OCC(=O)NC(C)(C)C	1
C[C@@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)[NH2+]1	1
O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCO2	0
COc1cc(C[NH+](CCC[NH3+])Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	2
COc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2)cc1	0
O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccc(Cl)cc1	0
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccc(NN)nn1	1
CC(C)N(C(=O)CSc1nc(N)cc(N)[nH+]1)C(C)C	1
CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N)CC1	0
CC(C)(C)[N+](=O)C[C@@H](c1ccccc1)[C@@H](C[N+](=O)C(C)(C)C)c1ccccc1	2
[NH3+]Cc1nc2c(s1)CCCCC2	1
C[NH+](C)C[C@@H]1CCCC[C@@H](C[NH+](C)C)C1OC(=O)C(O)(c1ccccc1)c1ccccc1	2
C[C@@H]1CN(C(N)=[NH2+])C[C@@H](C)O1	1
CC1(C)CC[C@@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1	0
COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2SCCC3)cc1	1
Cc1ccc(C)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1	2
O=C(c1ccco1)N1CCN(c2ccccc2F)CC1	0
Cc1cc(C[N@H+]2CCC[C@@H](O)C2)c(C)n1-c1cccc(C(F)(F)F)c1	1
COC(=O)C1[C@@H](c2c[nH]c3ccccc23)[C@@H](C(=O)OC)O[N+]1=O	1
CC(C)(C)[NH2+]C[C@H](O)c1cc(Br)no1	1
[NH3+]CCC[NH2+]CCOc1ccc(Cl)cc1Cc1ccccc1	2
CCOC(=O)C1CCN(S(C)(=O)=O)CC1	0
CC1(C)CC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC(C)(C)[NH2+]1	1
C[NH+](C)[C@@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1CCC(=O)NCc1ccc2c(c1)OCO2	2
CC[NH+](CC)CCC[C@@H](C)[NH+]=C1C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21	2
[NH3+]CCCOc1ccc2c(c1)c(=O)c1cccc3c1c2c1cccc2c(=O)c4cc(OCCC[NH3+])ccc4c3c21	2
O=C([O-])Cc1cccc2c(=O)cc(-c3ccccc3)oc12	-1
CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)C[NH+]2CCC(c3ccccc3)CC2)n1	2
CC(C)[N@@H+](C)CCO	1
O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2	0
c1ccc(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1	0
C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+]([C@@H]3CCCC(C)(C)C3)CC2)c(Cl)c1	2
C/C(=C/c1ccccc1)C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1	1
C[NH2+]Cc1ccsc1	1
C[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1	1
C[NH2+][C@@H](C)Cc1ccccc1O	1
Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)c(C)c1	1
CCCCOc1cc(C[S+]2CCCC2)c(OC)cc1C[S+]1CCCC1	2
C[NH+](C)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	1
O=C(/C=C/c1ccccc1Cl)N1CCCCC1	0
CC(C)(C)c1cc(-c2c[nH+]c3n2CCCCC3)cc(C(C)(C)C)c1O	1
O=C(Nc1ccc(-c2cnco2)cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	-1
CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CC[NH+]([C@H]3CCc4cc(C#N)ccc4C3)CC1)O2	1
CC[NH+]1CCN(c2cc(SC(C)C)nc(-c3ccc(OC)cc3)n2)CC1	1
CCOC(=O)N1CCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)CC1	0
CC(C)(c1ccccc1)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1	0
CCN1CCN(C(N)=[NH2+])CC1	1
Cc1c(N2CC[NH2+]CC2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	0
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cc(OC)c(OC)cc2OC)C1C(=O)OC	1
Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]CCc2c[nH]c3ccccc23)cc1	1
CC(C)CNC(=O)c1ccc(F)cc1	0
C[C@@H]([NH2+]CC1OCc2ccccc2CO1)c1ccccc1	1
CC[NH+]1CCN(c2nnc(-c3ccc(C)c(C)c3)c3ccccc23)CC1	1
CCCc1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)o1	0
CC[NH+](CC)CCNc1cc(-c2ccc(OC)cc2)[nH+]c2ccccc12	2
CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1	0
[NH3+][C@@H](Cc1ccccn1)c1ccccc1	1
C[NH+](C)CCSc1nc2ccccc2c(=O)n1-c1ccccc1	1
Cn1c(=O)ccc2cc(C(F)(F)F)ccc21	0
O=[N+]([O-])c1cnn(C2=CNCC[NH+]=C2)c1	1
COc1ccc(NC(=O)CC[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)CC[C@H]2[NH+](C)C)cc1	2
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCCN(C=O)CC3)CC2)CC1	2
Clc1ccc(/C=N/c2cccnc2)cc1	0
COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)c(OC)c1	1
Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1	0
c1cc2c(cc1CC[NH2+]C1C3CC4CC(C3)CC1C4)OCO2	1
COc1ccc([C@@H](C#N)OC(C)=O)c(OCc2ccccc2)c1OC	0
Fc1ccccc1N1CC[NH+](C/C=C/c2ccccc2)CC1	1
[NH3+]Cc1cn2cccnc2n1	1
Fc1ccc(-c2[nH]cc(C3=C[C@@H]4CCC[N@H+]4CC3)c2-c2ccncc2)cc1	1
c1ccc2c(c1)nc(N1CCOCC1)n2CC[NH+]1CCCCC1	1
Cn1c(=O)[nH]c(=O)c2c1ncn2CCNC1=[NH+]CCCCC1	1
Cc1ccc(CSC(N)=[NH2+])cc1	1
COc1ncnc2c(C)csc12	0
c1ccc(Cn2ccnc2SCc2nnc(-c3ccccc3)o2)cc1	0
CC(C)(C)[NH2+]CC(=O)c1c[nH]c2ccccc12	1
COc1cc(OC)cc(C(=O)N2CC[NH+](C)CC2)c1	1
c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1	1
CC(C)(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1	0
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3[nH]nc4c3CCC4)cc2)CC1	2
Cc1cc[nH+]c(N)c1	1
O=C(C[C@@H](CO)[NH2+]Cc1ccccc1)NCc1ccccc1	1
c1ccc2c(Sc3ccc(OCC[NH+]4CCCC4)cc3)c(-c3ccc(OCC[NH+]4CCCC4)cc3)sc2c1	2
Cn1c(-c2ccccc2)nn(CN2CCCC2)c1=S	0
C[C@H]1C[C@@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1	0
N#Cc1c(SCC[NH+]2CCCC2)nc2c(c1C(F)(F)F)CCCC2	1
C[NH+](C)C(C)(CO)CO	1
Nc1cc(N)[nH+]c(SCC(=O)N2CCc3ccccc32)n1	1
C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2cccc(F)c2)C1=O	2
C[NH2+]CC1CCCC1	1
C[NH+](C)CCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	2
Oc1ccc(Br)cc1/C=N/n1cnnc1	0
CN(C)S(=O)(=O)N[C@@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	1
Cc1cc2c(cc1C)N[C@@H](C)CC(=O)N2	0
Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1	0
OC1(c2ccc(Br)cc2)CC[NH+](CCCc2ccccc2)CC1	1
CCc1nc(C)ccc1OCC(=O)N(CC)CC1CC[NH+](C2CC[NH+](C)CC2)CC1	2
C[NH+](C)CC[C@@H](O)c1ccccc1	1
C[C@@]1(C(=O)[O-])Oc2cccnc2NC1=O	-1
C[NH+](C)C[C@@H]1CSCC[C@@]1(O)c1ccc(C(F)(F)F)cc1	1
Cc1ccc(CNC(=O)N2CC[NH+](C)CC2)cc1	1
O=C1CC[C@@H](Cc2ccccc2)[C@@H](C(=O)[O-])C1	-1
CC(C)(C)OC(=O)CC[NH+]1CCC(C(N)=O)CC1	1
CC[NH2+]C1(c2cccc(Cl)c2)CCC1	1
O=C(CSC1=[NH+][C@@H]2CCCC[C@@H]2N1)N1CCOCC1	1
COc1ccc(C(=O)C[C@H]([NH3+])C(=O)[O-])cc1	0
O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCC[NH2+]1	1
CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC[NH+]3CCCCC3)nnc12	1
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@H]2C[NH2+]CC=C12	1
CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH+]1CCC(Cc3ccccc3)CC1)C2	2
CC(=O)c1c([O-])cc(O)c(C(C)=O)c1O	-1
NC1=CSC2=[NH+]CCN12	1
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1	2
CC(C)[NH2+]C[C@@H](O)COc1c(F)cc(Br)cc1F	1
C[NH+](C)Cc1ccc(N)cc1	1
Cc1ccc(C[C@@]2(O)CN(c3ccccc3)c3cccc[n+]32)cc1	1
O=C1CCCN(Cc2ccccc2)C1	0
Cn1c(NCCc2ccccc2)nc(-c2ccncc2)cc1=O	0
CCOC(=O)C1CC[NH+](CCC(=O)c2ccc(OCC)cc2)CC1	1
CC(=O)Nc1nc2ccccc2n1CC[NH+]1CCCC1	1
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)[NH+](CC=C(C)C)C2)nn1	2
CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C)c3OC)cc2)CC1	1
O=C([O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1	-1
CC(=O)N1CCC[NH2+]CC1	1
O=C([O-])C[C@@H]1NC(=S)N(Cc2ccccc2)C1=O	-1
CCOC(=O)N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1	1
COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	2
NC1=[NH+]NC2=C(c3ccccc3C(F)(F)F)NNN12	1
CN(C)c1cc(C(F)(F)F)cnc1C#N	0
NC1=[NH+]NC2=C(c3ccc(F)cc3)NNN12	1
C=CCC(O)(CC=C)[C@@H]1CCC[NH2+]1	1
CSc1cc(-c2nccs2)[nH]n1	0
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1	2
NC(=O)c1ccc[n+](Cc2ccc(F)cc2)c1	1
CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(N)=O)CC1	2
NC(=[NH2+])CSc1ccccc1	1
N#CC1=C2CCCC[C@@H]2[C@@H](c2ccco2)C(C#N)(C#N)C1=O	0
CCOC(=O)c1cc(CC)sc1NC(=O)CC[NH2+]C(C)(C)C	1
CN(C)C(=O)OCCc1n(C)cc[n+]1C	1
CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C	1
CN1CCC2(CC[NH2+]CC2)C1=O	1
CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc2)CC1	2
CN1CCN(c2ccc(N3CC[NH+](C)CC3)nn2)CC1	1
CNC(=S)NCC[NH+]1CCCCC1	1
CN(C)C(=O)COc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1	2
CC1(C)CC(=O)C2=C(C1)O[C@@H]1CCCC[C@@H]21	0
Cn1c(NN)[n+](C)c2ccccc21	1
CCc1nc(NCC[NH+](CC)CC)c(C#N)c2c1COC(C)(C)C2	1
CC(=O)N1CC[n+]2cc(-c3ccc(Cl)cc3Cl)sc21	1
C=CC[n+]1c(C)n(N)c2ccccc21	1
CCOC(=O)C1CC[NH+](Cc2ccco2)CC1	1
NC(=[NH2+])N1CCOc2ccccc2C1	1
Cc1ccc2c(c1)C(=C(C#N)C#N)C(=O)N2	0
O=c1c2ccccc2nc(-c2ccco2)n1CCc1ccccc1	0
CC[NH+](CC)CCN(C)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O	2
CCOC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1	0
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1	2
C[N+](=O)Cc1cccs1	1
Cc1ccn2cc(-c3ccc(F)cc3)cc2c1	0
CC(C)C[N@H+]1C[C@@H](C(=O)NCCC[NH+](C)C)C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C1	2
CCCc1nn(-c2cccc(Cl)c2)c(N2CC[NH+](C)CC2)c1C[N@@H+](Cc1sccc1C)C(C)C	2
CCc1cn(Cc2ccccc2)c[n+]1Cc1ccccc1	1
O=C([O-])c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1	-1
C[C@@H](C(=O)c1ccccc1)n1ccc2cc(Cl)ccc2c1=O	0
O=C(C[NH2+]C1CCCC1)Nc1ccc2c(c1)OCCO2	1
C[N@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cc(=O)c(OCc2ccccc2)cn1C1CC1	2
COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1	1
O=C([O-])CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1	-1
CCC[N@H+](Cc1cc(OC)c(O)c([N+](=O)[O-])c1)CC1CC1	1
CCOc1ccccc1NC(=O)c1ccco1	0
C[NH+](C)CCOc1ccccc1Cc1ccccc1	1
C[N@@H+](CCNc1ncnc2[nH]cnc12)Cc1ccccc1	1
O=C(C[NH2+]Cc1ccco1)Nc1cccc(C(F)(F)F)c1	1
CCn1ccnc1C[N@@H+](CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1	2
CCOc1ccc(C(=O)Nn2cnnc2)cc1	0
COC(=O)C[C@@]1(C)OC[C@@H](C[NH+]2CCCCC2)O1	1
O=C([O-])/C=C/C(=O)Nc1ccccc1SC(F)(F)F	-1
Cc1cc(C)cc(NC(=O)c2ccco2)c1	0
Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@H](C)O)[C@H]3CCC1	1
CCN(C(C)=O)c1ccc(Oc2nc(OC)cc(OC)n2)cc1	0
CCOC(=O)c1[n-]c(C=O)c(C(C)=O)c1C	-1
O=C(Cc1ccccc1)Nc1ccc(Br)c(Cl)c1	0
Cc1cnc2c3c(nccc13)C(=O)c1ccccc1-2	0
COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc(N)c2cc1OC	1
C[NH+](C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccccc2)C1	2
C[N+]1(Cc2csc(N)n2)CCCC1	1
N[C@H](c1ccc(Cl)cc1Cl)[C@H]([NH3+])c1ccc(Cl)cc1Cl	1
C=CCC(O)(CC=C)[C@@H](C)[NH3+]	1
Cc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	1
[O-]c1c(O)c(C[NH+]2CCCCC2)c2ccccc2c1C[NH+]1CCCCC1	1
Cc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)n2ccccc12	1
CC[NH+](Cc1cc(OC)c2c(c1)OCO2)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1	2
O=C(Nc1c2c([nH+]c3c1CCC3)CCCC2)C1CCCCC1	1
O=C1c2c(n(CCC[NH+]3CCCCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCCCC1	2
O=C(CN1CC[n+]2c(-c3cccs3)csc21)c1ccccc1	1
O=C(C[NH+]1CCCC1)N1CCc2ccccc21	1
Cc1cncc(C2=NCCCC2)c1	0
Cc1ccc2cc3c(cc2c1)C[N+]1(CCOCC1)C3	1
COC(=O)[C@@H](C#N)C1CC(C)(C)[NH2+]C(C)(C)C1	1
Cn1c(=O)[nH]c(=O)c2c1ncn2CC[NH+]1CCCCC1	1
O=C1C[C@H](c2ccc(F)cc2)Sc2ccccc2N1	0
O=C(C[NH+]1CCCCCC1)N1CCN(c2ccccc2)CC1	1
CC[NH+]=C(NCCOCCNC(=[NH+]CC)SC)SC	2
Cc1ncc(Cl)c(C(N)=O)n1	0
[NH3+]C1(CO)CCOCC1	1
O=C1CC[NH+](CCc2ccccc2)CC1	1
CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1	1
Cc1cccc(Nc2cc(=O)c(-c3ccccc3)n[n-]2)c1	-1
O=C([O-])CON1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O	-1
O=C(c1ccccc1)n1ccc2ccccc21	0
Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(C#N)cc1	1
Cn1cc(C(=O)OCC2CC[NH+](CCNS(C)(=O)=O)CC2)c2ccccc21	1
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCN1Cc2ccccc2C1=O	2
COC[n+]1ccc(C)c2ccccc21	1
[NH3+][C@H](C(=O)[O-])c1ccc(C=O)c(O)c1	0
CC(C)n1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C	0
CC1=C[C@@H](C)C2(COC(c3ccc[n+](C)c3)OC2)[C@@H](C)C1	1
N=c1c(C(N)=O)cc(Cl)c(C(=O)[O-])n1Cc1ccccc1	-1
COC(=O)[C@H]1CCN(C#N)C1	0
CCOC(=O)c1csc(-c2sccc2COc2ccccc2)n1	0
CC(=O)C(=Cc1ccc(C#N)cc1)C(C)=O	0
O[C@@H](COC1C2CC3CC(C2)CC1C3)C[NH+]1CCCCC1	1
COc1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Cl	-1
N#Cc1ccc(N2CC[NH+](C3CCC4(CC3)OCc3ccccc34)CC2)cc1F	1
O=C1CCCN1C1CC[NH2+]CC1	1
CC[C@@H](OC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1	0
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1	0
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2(CC[NH+](C)CC2)N1	1
Cc1ccnc2ccc(Br)c[n+]12	1
CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	-1
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)CC1	1
C[C@@H]([NH3+])c1ccc(Br)cc1	1
NC(=O)[C@@H]1CCC[NH2+]1	1
C[n+]1cc(Cl)cc(Cl)c1	1
C[n+]1ccccc1/C=C1\Sc2ccccc2N1CCO	1
COc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc(OC)c1OC	0
[NH3+]C1CCC(O)CC1	1
[NH3+]Cc1ccc2c(c1)CCO2	1
N#CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1	0
CN(C)C(=O)[n+]1ccc(N(C)C)cc1	1
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[NH2+]CC1	2
COc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc(Br)c1O	2
Cc1cc(C(=O)[O-])c(C#N)c(N)n1	-1
C[NH+](C)CCNC(=O)c1ccc(/C=N/O)nc1	1
Cc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)[nH]c3ccccc23)cc1	1
CCC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1	2
Cn1c[n+](CS(C)(=O)=O)c2ccccc21	1
COCC[NH+]1CCC(C[N@H+]2CCN3C(=O)CNC(=O)[C@@H]3C2)CC1	2
C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cn(CC[NH3+])nn1	2
C[NH2+]CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1	2
O=C(CSCc1cccc(C(=O)[O-])c1)Nc1ccc(F)cc1	-1
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C(=O)O[C@@H]1C2	2
O=C1Cc2ccccc2N1c1ccccc1	0
O=[N+]([O-])c1cn(Cc2ccccc2)nn1	0
Clc1ccc(-c2nnnn2-c2cnccn2)cc1	0
O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1	2
Clc1ccc(OCc2c(CN3CCC([NH+]4CCCCC4)CC3)c3ccccc3n2CC[NH+]2CCCCC2)cc1	2
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CC3(C)COC3)cc2)CC1	2
Cc1ccccc1/C=C/C(N)=O	0
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CC[NH+](Cc2ccccc2)CC1	1
CC(C)(C)c1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)no1	2
CC(=O)O[C@@H]1CCC[N@H+](C)C1	1
CC(=O)[C@@H]1C[N@@H+](C)CC[C@@]1(C)O	1
COc1ccc2c(c1)OC1=C(C(=O)CCC1)[C@@H]2C1C(=O)CCCC1=O	0
CC(N)=[NH+]N(C)c1cccc(F)c1C#N	1
C[N+](=O)Cc1ccccc1	1
[NH3+]CCN1CCNC1=S	1
Cc1nc2ccc(Cl)cc2s1	0
N#Cc1c(O)ccc(O)c1C#N	0
Cc1ccc2cccc(SCC(=O)NC[C@@H]3CCCO3)c2n1	0
CC[NH+](CC)CCn1cnc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21	0
CCCN(Cc1ccccc1)C(=O)c1ccc2nc(C)c(C)nc2c1	0
CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1	2
CCOC(=O)c1ccc(NC(=S)NCC[NH+]2CCC(C)CC2)cc1	1
CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(OC)cc3)no2)CC1	2
C[C@@H]([NH3+])c1ccc(F)cc1	1
Cc1cc(C)c(-[n+]2cccc(C(N)=O)c2)c(C)c1	1
Nc1csc(C(F)(F)F)c1-c1ccccc1	0
C[N+](C)(CCN1C(=O)C2=C(SCCS2)C1=O)Cc1ccccc1	1
c1ccc2c(c1)COC(C[NH+]1CCCC1)OC2	1
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCC(=O)OC)CC1	1
C[C@@H]([NH3+])C(=O)Nc1ccccc1	1
C[NH2+]CC(=O)NC(C)C	1
Cc1nc(N)sc1CC[NH3+]	1
COc1cc(-c2[nH+]c3ccc(C)cn3c2NC(C)(C)C)ccc1O	1
C[NH+](C)CCn1c(C#N)cc2ccccc21	1
CCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1	1
Cn1c(=O)c2c(ncn2CC[NH+]2CCC(c3c[nH]c4ccccc34)CC2)n(C)c1=O	1
COCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2OC)C1	2
C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1COc2ccccc2O1	1
COc1cccc2c1CCC(=O)N2CCC[NH+]1CCN(c2cccc(Cl)c2)CC1	1
C[N@H+]1[C@H]2CC[C@@H]1C=C(c1ccc(Cl)cc1)C2	1
CCOC(=O)[C@H]1CCC[N@H+]1C	1
CC(=O)c1ccc[n+]([C@@H](C)CC[C@H](C)[n+]2cccc(C(C)=O)c2)c1	2
Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]CCCC[NH3+]	2
CN1C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)C(=O)N(C)C1=S	0
O=C1CC[C@H]2COC(=O)N12	0
CC(C)NC(=[NH2+])NC(=N)Nc1ccc(Cl)c(Cl)c1	1
CC(C)COC(=O)N(C)C1CC[NH+](C2Cc3ccccc3C2)CC1	1
COCCCNC(N)=[NH2+]	1
Fc1ccc(/C=N/n2cnnc2)cc1	0
COc1ccccc1N1CC[NH+](CCCN2C(=O)[C@@H]3CCCCN3C2=O)CC1	1
O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccc(Cl)cc1	1
NC(=[NH2+])NN=Cc1ccccc1[N+](=O)[O-]	1
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O1	0
COc1ccc2cc(C[NH2+]CCCN3CCN(CCC[NH2+]Cc4ccc5cc(OC)ccc5c4)CC3)ccc2c1	2
Cc1cccc(N)c1C(=O)[O-]	-1
C[n+]1ccc(/C=C/c2cccs2)cc1	1
CCN(Cc1ccccc1)S(C)(=O)=O	0
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O	2
O=CN1CC[NH+](CCCc2ccccc2)CC1	1
COc1ccc(Cl)cc1NS(C)(=O)=O	0
FC(F)(F)c1ccc(-n2cccc2)cc1	0
C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccccc1	1
Cc1oc(-c2cccs2)nc1C[N@H+](CC1CC[NH+](C2CCCC2)CC1)C[C@@H]1CCCO1	2
CC[NH+](CC)CCC[C@@H](C)Nc1cc(/C=C/c2ccc(Cl)cc2)[nH+]c2ccc(N(C)C)cc12	2
Cn1ccc(=O)n(Cc2ccoc2)c1=O	0
[NH2+]=C1N[C@@H](Cc2cccs2)CS1	1
c1ccc2c(c1)nc1n2CCN1CC[NH+]1CCOCC1	1
CC=CC(/C=C\C)(C(=O)OCC[NH+](CC)CC)C(/C=C\C)(/C=C\C)C(=O)OCC[NH+](CC)CC	2
CCc1[nH+]c(C)cc(N)c1O	1
O=C([C@@H]1CCC[NH2+]C1)N1CCCC1	1
Cc1ccc(NN=C(C#N)C(N)=S)cc1	0
Cc1nc2ccccc2nc1C=O	0
CC[NH+](CC)CCC(CC[NH+](CC)CC)(CNC(C)=O)c1ccccc1	2
Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	0
CC[NH+](CC)Cc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC	2
C[n+]1c2ccccc2c(Oc2c3ccccc3[n+](C)c3ccccc23)c2ccccc21	2
CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccccc2)S1	0
S=c1oc2ccccc2n1CNc1ccccn1	0
CCOC(=O)c1cc(C[NH3+])c(C)o1	1
CCOC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1	1
Cc1cc2ncn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2cc1C	0
O=C1NCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1	1
COc1cccc(CN(C)C2CC[NH+](C)CC2)c1	1
C=CCC([NH3+])(CC=C)C1=C[C@H](CC(=C)C)[NH2+][C@@H](CC(=C)C)C1	2
CC[N@H+]1CCC[C@H](NC2=CC(=O)OC23CCCCC3)C1	1
Cc1nc[nH]c1-c1ccc(Cl)cc1	0
Cc1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	1
CC1=CC(C)(C)Nc2ccc(OC(=O)Cc3ccc(F)cc3)cc21	0
Brc1ccccc1Oc1nc2ccccc2n2cncc12	0
Nc1ccc(S(=O)(=O)c2ccc(NCC(=O)[O-])cc2)cc1	-1
Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O	0
Nc1ccccc1SC[C@@H](O)COc1cccc(C(F)(F)F)n1	0
Cc1cc2c(cc1CC1=[NH+]CCN1)C1CCC2CC1	1
CC(=O)Oc1ccccc1C(=O)Oc1c(C)occc1=O	0
COc1cc(OC)c2c(C)cc(=O)oc2c1	0
CC(C)(C)c1cc(C#N)ccn1	0
CC[NH2+][C@H](Cc1ccccn1)c1sccc1C	1
CC[NH+]1CCN(c2ncnc3c2cnn3-c2cccc(C)c2)CC1	1
O=C(c1ccccc1F)N1CCC(Cc2ccccc2)CC1	0
Fc1cccc(CN2CCNC2=S)c1	0
c1ccc(N2CC[NH+](C3CCN(Cc4ccco4)CC3)CC2)cc1	1
COc1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1	0
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN12	0
CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1	2
c1ccc(-n2ncc3c2ncn2nnnc32)cc1	0
COc1cc(C(=O)Oc2ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C)c2C)cc(OC)c1OC	1
CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2[N@H+](C)C1	1
C=CCn1c(SCC[NH+]2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C	1
COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)CC[NH+]1CCCCC1	2
C[NH+](C)CCN(Cc1cc2ccccc2o1)c1ccccn1	1
Cc1ccc(CCS(=O)(=O)c2ccc(C(C)C)cc2)c[n+]1C	1
CC(C)[NH2+]C[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	1
COc1ccc(-n2c(=S)[nH]c(=O)c3cccnc32)cc1	0
CC(=O)c1ccc2[nH]c(=O)oc2c1	0
Cc1c(C[NH2+]CCC[NH2+]CCO)c2ccccc2n1Cc1ccc(Cl)cc1Cl	2
CNC(=O)Nc1ccc(F)c(C)c1	0
CC[NH+](CC)CCC[NH2+]CCCNc1cc(OC)cc2cccnc12	2
Nc1nc(OCc2ccccc2)c2[nH]c(=O)[nH]c2n1	0
CCc1n(C)c2ccccc2[n+]1C	1
CCC(=O)c1ccc2c(c1)N(C[C@H](C)[NH+](C)C)c1ccccc1S2	1
CC[NH+]1CCCC[C@@H]1C(=O)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1	2
CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CC3CC[NH+](Cc4ccc(F)cc4)CC3)C2=O)cc1	2
CC(C)(C)C(=O)CSc1nc(-c2cccnc2)c(C#N)c(=O)[n-]1	-1
CC[NH2+]C[C@H](C)C(=O)OC	1
C[C@@H]1O[C@@](O)(c2ccc([N+](=O)[O-])cc2)CC[N+]12CCCCC2	1
C[C@@H]1O[C@@](O)(c2ccc(Cl)cc2)C[N+]12CCCCC2	1
CC1(C)CC([NH3+])CC(C)(C)N1O	1
CC[NH+](CC)CCC[C@H](C)Nc1c(-c2ccccc2)c[nH+]c2cc(Cl)ccc12	2
CC(=O)C[n+]1ccccc1C	1
O[C@@]1(c2cccs2)CN2CCCCCC2=[N+]1c1ccccc1	1
COc1cc(C(=O)O[C@@H](C)C[NH+]2CCCC2)cc(OC)c1OC	1
CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]C3CCCC3)s2)CC1	2
Cc1cc(C)n(-c2ccc3nncn3n2)n1	0
Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccccn3)c(O)c2n1	1
N#Cc1cc2ccccc2c[n+]1N	1
C=CN1C(=O)c2ccccc2C1=O	0
CCCCCC[NH+](CCCCCC)CCCNc1[nH+]ccc2ccccc12	2
COc1ccc2c(CC[NH3+])c[nH]c2c1	1
C[C@@H](Cc1ccc(O)cc1)[NH+](C)C	1
Cc1cc(N(C)C)c(C#N)c(N2CCCCC2)[nH+]1	1
O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccccc2)C1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)c1c(F)cccc1F)C2	1
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cl)cc1	1
CCC[N@H+]1CCc2c(sc3c2c(NCCC[NH+](C)C)nc2nnnn23)C1	2
COc1nsc(Br)c1C#N	0
CC1(C)CC(NC(=O)c2cncc(Br)c2)CC(C)(C)[NH2+]1	1
O[C@@H](COc1ccccc1)CN1C2=[NH+]CCN2c2ccccc21	1
C[NH+]1CCN(c2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1	1
Cc1ccc(C)c(C[N@H+]2CC[C@@H](O)C2)c1	1
CCOC(=O)c1c(C[NH+](C)C)n(C)c2ccc(OC(C)=O)cc12	1
O=C(CN1CC[n+]2cc(-c3ccccc3)sc21)c1ccccc1	1
CCN/C(=[NH+]\C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(NCC)=[NH+]\C)cc3)cc2)cc1	2
CCOC(=O)c1c(C)n(CC)c2cc(Br)c(O)cc12	0
CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1	2
COc1ccc2c(c1)CCC[C@H]2c1c[nH]cn1	0
NC(=O)C1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1	1
Fc1ccc(CSc2nnnn2-c2cccc3ccccc23)cc1	0
C[NH+](C)CCn1c(C(=O)Nc2ccccc2)cc2ccccc21	1
COc1cc2nc(=S)n(CC[NH+](C)C)c(N)c2cc1OC	1
COc1ccc([C@@H](C)[NH3+])cc1OC	1
O=c1oc(-c2ccc(F)cc2)nc2c(Cl)cc(Cl)cc12	0
CC(=O)Nc1cc2c(s1)CCCC2	0
CCc1cccc[n+]1N	1
C[NH+](C)CCNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O	1
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(F)cc2)C1	0
COc1ccc(CC[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC	1
CN1CCO[C@@H]2C[NH+](CCOCC[N@H+]3C[C@H]4[C@@H](C3)OCCN4C)C[C@@H]21	2
CC(C)(C)[N+](=O)C=C1C=C[C@@H](C(=O)NC[C@H](O)[NH2+]C(CO)(CO)CO)CC1	2
O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1	0
NC(=O)c1ccccc1NC(=O)Cc1ccccc1	0
Cc1cccc(NC(=O)C2C(C)(C)C2(C)C)c1C	0
COc1cc2c(cc1OC)C[N@@H+](CC[C@@H](C)c1ccc(Cl)cc1)CC2	1
Cc1n[n+]2cccnc2s1	1
CC[C@@H](CO)[NH+](C)C	1
Cc1cc(NC(=O)Nc2cc(C3CC3)[nH]n2)n(C)n1	0
c1ccc2c(c1)N1CCC[NH+]=C1C21CCCCC1	1
O=S(=O)(Nc1ccc(C2=[NH+]CCN2)cc1)c1cccc(S(=O)(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c1	2
CCN(CC)c1ccc(C=[NH+]NC(N)=N[N+](=O)[O-])cc1	1
CCC[NH+](CCC)C[C@]1(C)C[N@@H+](C)[C@H](C)C[C@]1(OC(=O)CC)c1ccccc1	2
Cn1nc(C(N)=O)c(=O)[n-]c1=S	-1
CCCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	0
CC1(C)[C@@H]2CC[C@@]1(C)C[N@@H+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2	1
C[NH2+][C@@H](C)c1ccc(OC)cc1OC	1
O=C(C[n+]1ccc(-c2cc[n+](CC(=O)c3ccccc3)cc2)cc1)c1ccccc1	2
Cc1cc(C)c(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)N2CC[NH2+]CC2)c(C)c1	2
C[C@@H](CC[NH+]1CCN(C=O)CC1)c1ccccc1	1
COc1ccc(OC)c2c(C)cc(N3CCC[N@@H+](C)CC3)nc12	1
COCc1cc(C)nc2sc3c(=O)n(Cc4ccco4)nnc3c12	0
CCCC(=O)c1cnc2c([C@H](O)C[NH+](C)C)cccc2c1Nc1ccccc1C	1
C[NH+](C)[C@@H](CNC(=O)c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1)c1ccsc1	2
Cn1nnnc1C[N+](C)(C)C	1
COc1ccc(CCNC(=O)c2c(C)nc3ccccn23)cc1	0
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1	2
COc1cccc(OC)c1C(=O)c1cc[n+](C)cc1	1
CC(C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1	1
O[C@@]1(c2cccs2)CN(c2ccccc2)C2=[N+]1CCCCC2	1
CC(=O)O[C@@H]1[C@H]([NH+]2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C	1
CCC1(CC)C(=O)[N-]C(=S)N(C)C1=O	-1
NC(=[NH2+])c1cccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C(N)=[NH2+])c2)c1	2
COc1cccc(C(=O)N2CCOCC2)c1	0
CC[n+]1ccc(/C=C/c2ccc(OC)cc2OC)cc1	1
O=[N+]([O-])c1cccc(CN2CCN(Cc3ccccc3F)CC2)c1	0
CC[NH+](CC)CCSCC[NH+](CC)CC	2
CC(C)(C)NC(=S)NCc1ccccc1	0
CCn1c(C)[o+]c2ccc(OC)cc21	1
Nc1nc[nH+]c(N2CCCCC2)c1N	1
CN(C)C(=O)C(CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1	1
OC1(c2ccc(Br)cc2)CC[NH+](C2CCC(c3ccccc3)CC2)CC1	1
COc1cc(NC(=O)CCC(=O)[O-])nc(OC)n1	-1
O=C(NCCc1cccc2ccccc12)C1CCC1	0
COc1ccc2[nH]c(C(N)=O)c(OC(C)C)c2c1	0
c1nc2sc3c(c2c2nnnn12)CCCC3	0
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cccnc1	1
Cc1cc(C)c2nc(C)c(=O)[nH]c2c1	0
O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(Nc2cc[nH+]c3ccccc23)cc1[N+](=O)[O-]	2
C[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C[NH+]1CCCCC1	2
C[NH+](C)C[C@@H]1CSCC[C@@]1(O)c1cccc(O)c1	1
COc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1OC	1
C[NH+](C)CCN1C(=O)c2ccccc2C1=O	1
[NH3+]Cc1ccsc1	1
C[C@@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)CC1)C(=O)c1ccccc1	2
C[NH+]1CCC(N=Nc2ncnc3sc4c(c23)CCCC4)CC1	1
Cc1sc2ncn(CC(=O)NCC[NH+](C)C)c(=O)c2c1C	1
Cc1cc(C[N@H+](CC2CC[NH+](C3CCCC3)CC2)C[C@H]2CCCO2)oc1C	2
C[N@@H+](CCCn1c(=S)[nH]c2ncccc2c1=O)Cc1ccccc1	1
CC(=O)NCC[NH2+]CCO	1
O=Cc1ccc(N2CCOCC2)cc1	0
COC(=O)c1ccc2ccccc2n1	0
CSc1ccccc1NC(=O)CSc1nc2ccccc2o1	0
Cc1ccc(C(=O)Oc2ccccc2Cl)cc1	0
CCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1	0
COc1ccccc1COC[C@@H](O)C[NH2+]CCC[NH+](C)C	2
Cc1nn(C)c2[n-]c3c(c(=O)c12)CSC3	-1
CC(C)(C)c1nc(C(C)(C)C)c(Br)c(NN)[nH+]1	1
Cn1nc(-c2ccc(F)cc2)c2ccccc21	0
CC1=[NH+]CCc2c1[nH]c1cc(O)ccc21	1
Cc1ccc(-c2nnc(-n3ncc(C#N)c3N)c3ccccc23)cc1	0
CC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(N)cc1	1
CC[N@H+](Cc1nc(-c2ccccc2)cs1)CC1CC[NH+](C2CCN(C)CC2)CC1	2
CCCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)CC1	1
COc1c2n(c3ccc(F)cc13)CC[NH2+]C2	1
NC(=O)c1c(NC(=O)c2ccccc2C(=O)[O-])sc2c1CCCC2	-1
CC[n+]1cc(-c2ccccc2)nc(N2CCOCC2)n1	1
C[NH+]1CCN(C(=O)COc2ccc(C[NH3+])cc2)CC1	2
Cc1ccc2c(c1)c1c(n2C[C@@H](O)Cn2cc[nH+]c2C)C(=O)CCC1	1
O=C(NCCC1=CCCCC1)[C@@H]1CC12CC[NH+](Cc1cc(C[NH+]3CCCCC3)cs1)CC2	2
FC(F)(F)C(F)(F)c1nnc2c3ccccc3c(N3CC[NH2+]CC3)nn12	1
CC(C)CC(=O)Nc1cc(Cl)cc(Cl)c1	0
CSc1nnc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)s1	0
COc1ccc2c(C)cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2c1	1
CN1C(=O)C[C@H]([NH+]2CCC(C(N)=O)CC2)C1=O	1
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1c2c([nH+]c3c1CCC3)CCCC2	1
CNc1nc([C@@H]2CCC[N@@H+](CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1C[NH2+]CC2	2
CNS(=O)(=O)c1cnccc1N1CC[NH+](C(C)C)CC1	1
Cc1csc(C)[n+]1-c1ccccc1	1
CCOC(=O)C1CC[NH+](CC[C@@H](O)C(F)(F)F)CC1	1
S=C1NCCN(c2ccccc2)N1	0
O=C(COc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1	0
CC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)N(C)C)o2)cc1	0
COc1cc(C[NH2+]C2CCCCC2)ccc1OCC(N)=O	1
CC[C@@](COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)[NH+](C)C	1
C[NH+](C)CCC[NH2+]CCCOc1cccc2ccccc12	2
CO[P@@](=O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1	0
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H]([NH+]2CCCCC2)[C@@H]1O	1
CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1	0
CC[N+](CC)(CC)C[C@@H](O)Cn1c(=O)sc2ccccc21	1
O=C([O-])c1ccc2c(c1)OCCOCCOCCO2	-1
Cc1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1	1
CC(C)(CCCCC(C)(C)NC1=[NH+]CCO1)NC1=NCCO1	1
COC(=O)c1c(-c2ccco2)n[nH]c1C	0
O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CC[NH2+]C1CCCCC1	1
CC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)cc(Cl)c1	1
Cn1c[n+](-c2ccc([N+](=O)[O-])cn2)c2ccccc21	1
CCn1c(C)[n+](C[C@@H](O)COc2ccccc2)c2ccccc21	1
CCC[NH+]1CCC([NH2+]CCNC(=O)c2ccc(OC)cc2)CC1	2
O=C([O-])c1cccnc1SCCS(=O)(=O)c1ccccc1	-1
C[NH+](C)CCNC(=O)Nc1ccc(Cl)c(Cl)c1	1
Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1	0
C[C@@H](Oc1c(Cl)cccc1Cl)C1=[NH+]CCN1	1
CC[NH+](CC)CCn1c(=N)n(CC(=O)OC)c2ccccc21	1
N#Cc1cccc(NC(=O)c2ccccc2)c1	0
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1COc2c(cccc2OC)C1	2
[NH3+][C@H]1Cc2ccccc2CC1=O	1
[NH3+][C@@H](O)Cc1ccccc1	1
CCc1ccccc1NC(=O)c1ccc2c(c1)OCO2	0
CC(C)[C@@](O)(C#CC[NH+]1CCCCCC1)c1ccccc1	1
CC(=O)N1CCN(c2cccc(C)c2C)CC1	0
Cc1cnc2c(NCC[NH+]3CCCCC3)nc3cc4ccccc4cc3n12	1
COc1nc(NN)[nH+]c(N2CCCCC2)n1	1
CCCCCC[NH2+]CCCNc1c2cc(OC)ccc2[nH+]c2cccc([N+](=O)[O-])c12	2
[NH2+]=C(NOC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCCC2)cc1	2
O=S(=O)(Nc1ccc(CC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1)c1ccc(-c2ccccc2)cc1	2
c1ccc(SC[NH+]2CCCCC2)cc1	1
Cc1ccccc1[N-]S(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1	-1
COc1ccccc1C(=O)Nc1ccc2c(c1)OCO2	0
CN(CCCCCCCCCCN(C)C(=O)Oc1ccccc1[N+](C)(C)C)C(=O)Oc1ccccc1[N+](C)(C)C	2
Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)oc2c1	0
CN(Cc1ccccc1)C(=O)C1CCCCC1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)N1CC3(CC3)c3ccccc31)C2	1
O=C(OCC[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1	1
O=C(COC(=O)c1ccccc1Nc1ccc(F)cc1)c1ccccc1	0
CCNc1nc(N)c(C(=O)c2ccccc2)s1	0
CN1CC[C@@H]([NH3+])[C@H](F)C1	1
c1ccc(C[NH2+]C[C@@H]2CCCO2)nc1	1
O[C@@H](C[NH2+]C1Cc2ccccc2C1)COc1ccc(F)cc1	1
C[C@@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+](C)C	1
CCSc1nnc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)s1	0
N#Cc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1	0
CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1O	1
Cc1cccc(C)c1OCC1C[NH2+]C1	1
C[C@@H](NC(=O)C[NH+]1CCCCC1)[C@@H]1COc2ccccc2O1	1
Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cc(Cl)ccc1O	1
O=C1Cc2ccc(C(F)(F)F)cc2N1	0
O=C(C1CCCCC1)N1CCc2ccccc21	0
Cc1nc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)no1	2
Cn1nc2c(c1C(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1-2	0
CC(C)(C)[NH2+]CC(=O)Nc1c2c(nc3c1CCC3)CCC2	1
O=C(CN1CCCC1)Nc1c2c([nH+]c3c1CCC3)CCC2	1
COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCCC3)cc1	0
O=C(CNC(=O)c1ccc2cncn2c1)NCCN1CCOCC1	0
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@@H]1CCCO1	2
S=c1sc2c(s1)S[C@@H]1Cc3ccccc3[C@@H]1S2	0
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1cccs1	0
CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CC[NH+](C)C	1
CCOc1ccccc1C[N@H+](CC1CC[NH+](C2CCCC2)CC1)C[C@@H]1CCCO1	2
CN1CCC[C@@H]1C[NH2+]C1CC1	1
Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)c1	2
NC(=O)[C@@H]1SCCN1c1ccccc1	0
Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2ccccn2)CC1	1
COc1ccc(/C=C/C(=O)NC2CCCCC2)cc1	0
CC[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12	1
Cc1cc(N)nn1-c1ccccc1	0
Cn1c(NCc2ccc3c(c2)OCO3)[nH+]c2ccccc21	1
COc1nn(C[C@H](C)[NH3+])c2c1ccc1occc12	1
CCc1nn(CC[NH3+])c2c1ccc1occc12	1
CC(C)(C)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1	1
Cc1ncccc1C1=NCCCC1	0
O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCC(Oc2ccc(F)cc2)CC1)c1ccc(OCCC[NH+]2CCCCC2)cc1	2
O=C(Cn1ccc(=[NH+]Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	1
COc1cc(Cc2c(-c3ccc(OCC[NH+]4CCCC4)cc3)sc3cc(O)ccc23)ccc1C[NH+](C)C	2
CCOc1ccccc1NC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O	1
Cn1cc(/C=C/C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1	2
Cc1cccn2c1nc(=S)n2C(=O)c1ccc(F)cc1	0
CC1=C(C)C[C@@H](C(=O)NCc2c(F)cccc2Cl)[C@@H](C(=O)[O-])C1	-1
COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1Cl	1
OCC[NH+](CCO)Cc1ccc(Br)cc1	1
O=C1C(c2ccccc2)=C(O)c2ccccc21	0
C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccncc1	0
Nc1nonc1C(=O)N1CCCCC1	0
Cc1cc(N)c(C)n[nH+]1	1
Cc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)c1	0
CCC[NH+](CCC)[C@H]1CCc2cc3c(cc2C1)OCC3	1
O=C(c1cc2ccccc2[nH]1)N1CC[NH2+]CC1	1
CC[C@H](O)C[NH2+]CCO	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2csnn2)cc1	1
[NH3+]CC1CCOCC1	1
Cc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1	0
CC(C)N(C(=O)Cn1ccc(=[NH2+])c2ccccc21)C(C)C	1
C[N+]1(CCO)CC[N+](C)(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1	2
CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2)CC1	1
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccco2)o1	-1
C[n+]1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)[n+](C)c(-c3ccccc3)c2)cc1-c1ccccc1	2
C[C@]12C[NH2+]C[C@](C)(CN(Cc3cccc(Br)c3)C1)C2	1
CCc1nn(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1	1
c1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1	1
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(O)c1	0
CC(C)c1ccc(O)c(C[NH+]2CCN(c3ccccc3)CC2)c1	1
COc1cc2c3c(c1O)-c1c(cccc1OC)C[C@@H]3[N+](C)(C)CC2	1
Cc1ccc(-c2csc3nc(C)n(N)c(=O)c23)cc1	0
C[N@H+]1CCC[C@@H](OC(=O)c2ccco2)C1	1
COc1ccc(NC(=S)NCCc2ccc(OC)c(OC)c2)cc1	0
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(C)c1	-1
COc1ccc(CC(=O)N2CCCC2)cc1	0
COc1ccc(-c2cc(-c3ccccc3)nc(NN)[nH+]2)cc1OC	1
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	1
C[NH+](C)Cc1cc2ccccc2o1	1
C#C[C@H]1NC(=[NH2+])c2ccccc2N1	1
CCc1c2ccc(C)n2c(C)c[n+]1C	1
O[C@@]12CCCC[C@@H]1[C@H](c1ccccc1)[NH2+]CC2	1
Cc1ccc(-c2nc(C#N)c(N3CC[NH+](C)CC3)o2)cc1	1
CCOc1nc(-c2ccccc2C)n(-c2ccc(NC(C)=O)cc2)n1	0
Cc1nn2c3ccccc3n(C)c2c1C(=O)OCC[NH+](C)C	1
CC[NH+](CC)C[C@@H](O)CO	1
COc1cc(C(=O)N(C)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC1CC[NH+](C)CC1	2
COc1cc(CC[C@@H](C)[NH3+])ccc1O	1
CC(C)(C)[C@@H](O)CN1C2=[NH+]CCN2c2ccccc21	1
CC[C@@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O	1
CCOC(=O)CCC[n+]1c(C)n(N)c2ccccc21	1
CC[NH+](CC)CCOc1nnc(-c2ccccc2)c2ccccc12	1
CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCC[NH2+]1	2
CC(C)[NH2+]C[C@@H](O)COc1ccccc1C1CC1	1
Cc1cc(NCc2cccnc2)c2ccccc2[nH+]1	1
CN(C)c1ccc(/C=[NH+]/N)cc1	1
Cc1nc2[nH]c(=O)ccc2cc1-c1ccncc1	0
C=CC[n+]1ccc(COC(=O)Nc2cccc(C(F)(F)F)c2)cc1	1
COC(=O)Cn1c(C)cc(C=O)c1C	0
O=C(CSC1=[NH+]CCN1)[C@H]1COc2ccccc2O1	1
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(OC)c3c(c2)OCO3)CC1	2
C1=C(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1	2
COc1cc(CC[NH3+])c([N+](=O)[O-])cc1OC	1
CC[n+]1ccncc1	1
O=C(COC(=O)c1ccc(Oc2ccc(O)cc2)cc1)c1ccccc1	0
CCOC(=O)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1	1
Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	0
[NH2+]=C1N[C@@H](Cc2ccsc2)CS1	1
CC[C@H](c1ccccc1)c1noc(CC[NH+](CC)CC)n1	1
C[N+](C)(C)CCC[n+]1ccc(CC[C@@H]2C=Cc3ccccc32)cc1	2
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH2+]C	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
CN(C)c1nccc(N(CC[NH+](C)C)Cc2ccccc2)c1C#N	1
COc1cc(-c2[nH+]c3ccccn3c2N)ccc1O	1
Oc1cc2c(c(Cl)c1O)CC[NH2+]C[C@H]2c1ccccc1	1
C[NH+](C)CCN(Cc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)cc1)C(=O)NC1CCCCC1	2
O=C1CCC[NH2+]CC1	1
NC(=O)C1CC[NH+](C2(n3nnc4ccccc43)CCCCC2)CC1	1
C[NH+]1CCN(c2c(N)c(=O)oc3ccccc23)CC1	1
C[C@@H](CC[NH+]1CCC(O)(c2ccc3oc(C(=O)N4CCC[N@@H+](C)CC4)cc3c2)CC1)c1ccccc1	2
O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC[NH+]1CCCC1	1
CC1(C)CC(O)CC(C)(C)N1O	0
Cc1ccc(C(=O)NCC(=O)[O-])o1	-1
Fc1cccc(Cl)c1COc1ccc(Br)cc1C[NH2+]CC1CC[NH2+]CC1	2
O=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2CCc2ccccc21	0
Nc1nc(-c2ccccc2)nc(-n2cccc2)n1	0
Cc1cnc2c(c1C)c(=O)n(C)c(=O)n2C	0
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1C(F)(F)F	2
C[C@@H](COc1ccccc1)NC(=O)C[NH+]1CCCC1	1
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1	1
CN1CC[NH+](CCCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1	2
Nc1nonc1-c1noc(-c2ccccc2)n1	0
O=C(CSC1=[NH+]CCN1)Nc1cccc(C(F)(F)F)c1	1
CN(C)/C=[NH+]/c1ccn(Cc2ccccc2)c(=O)c1C#N	1
CN1CC[NH+]=C(c2ccccc2)c2cc(Cl)ccc21	1
[NH3+]Cc1n[nH]c(=O)c2ccccc12	1
CC(=O)Nc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	1
CC(C)C(=O)Nc1nc2ccccc2s1	0
COc1ccc2nsnc2c1	0
CC(C)(C)c1cn2c3ccccc3nc2n1CC[NH+]1CCCC1	1
O=C(C1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCN(C/C=C/c2ccccc2)CC1	1
CC[NH+](CC)Cc1cc(Cc2c[nH]c3cc4ccccc4cc3c2=O)cc(C[NH+](CC)CC)c1O	2
C[NH+]1CCN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	1
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC3(c4ccccc4)CC[NH+](C)CC3)c2c1	2
CCOC(=O)c1cc(=O)c2c([O-])cccc2o1	-1
COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCC[NH+](C)C	1
O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cccc(Cl)c2)CC1	0
CC1SC(c2ccccc2F)=NC1=O	0
c1cnc(N2CC[NH2+]CC2)cn1	1
[NH3+]CC(=O)Nc1ccccc1	1
CN(/N=C/c1cccc([N+](=O)[O-])c1)C1=NS(=O)(=O)c2ccccc21	0
CC[N+](C)(CC)CC[N+](=O)[O-]	1
Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F	-1
Fc1cccc2c1O[C@@H]1C[NH2+]C[C@H]1O2	1
COC(=O)c1c(NC(=O)c2cccs2)sc(C(C)=O)c1C	0
Cc1ccc(NC(=O)CC[NH+]2CCCC2)cc1	1
Cc1cccc(C)c1NC(=O)c1ccc(N)cc1	0
CNc1nc(Br)cn2cc(C#N)nc12	0
CCn1c(C)[nH+]c2cc(N)ccc21	1
O=[S@@]1CCCS[C@@H]1c1cccnc1	0
c1cc2c(cc1C[C@@H]1CC3CC[NH+]1CC3)OCO2	1
N#CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	0
Cc1onc(-c2ccccc2)c1C(=O)NCC[NH+](C)C	1
CCc1[nH]c(CN2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)c(C)[nH+]1	2
CC1=C(N)C(=O)c2c(ccnc2C)C1=O	0
Clc1ccc(N2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)cc1	1
O=C(NCc1cccnc1)c1ccc(COc2ccc3c(c2)CCC3)o1	0
Cc1cccc(N2CCC([NH+]3CCC(CCC(=O)NCC[NH+](C)C)CC3)CC2)c1C	2
CN(C)c1ccc(C[N+](=O)C(C)(C)/C=N/O)cc1	1
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1	0
COc1ccccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1	0
C[NH+]1CCN(CCC(=O)Nc2ccc3[nH]c4ccc(NC(=O)CCN5CC[NH+](C)CC5)cc4c(=O)c3c2)CC1	2
COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)CC=C(C)C)C2)cc1	2
COc1ccc(CCNC2=[NH+]CCN2)cc1OC	1
C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1	1
CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	0
Cc1oc(-c2cccs2)nc1C[N@@H+](C)CC1CC[NH+](CCc2ccc(F)cc2)CC1	2
O=C1CCCN1C1=NCCN1	0
Cc1cc(C)c([N+](=O)[O-])c(C)c1C=O	0
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@@H]([NH3+])CCCC[NH3+]	2
CCOc1ccc(N2C(=O)C[C@@H](Cc3cc(C)cc(C)c3)C2=O)cc1	0
COCC[NH+](Cc1cccc2cccnc12)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	2
CN1CCc2c(n(C[C@@H](O)C[NH2+]Cc3ccccc3)c3ccccc23)C1=O	1
N#Cc1sc(N)c(C#N)c1N	0
COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)cc1	1
Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1	0
COc1ccc(NC(=O)CSC2=[NH+]CCN2)cc1	1
C[C@@H]1C[NH+]=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+]C[C@@H](C)N5)cc4)cc3)cc2)N1	2
C[N+](C)(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([N+](C)(C)C)cc3)cc2)cc1	2
Cc1cc(C)[n+](C)n1C	1
Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C	0
C[C@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCCCC[NH+]2CCOCC2)C[C@@H](C)O1	2
COc1ccccc1OC[C@@H]1CNC(=O)O1	0
O=c1c2ccccc2ncn1C[C@H](O)C[NH2+]C1CCCCC1	1
Cc1ccccc1CC[NH+]1CCC(C[N@@H+](C[C@@H]2CCOC2)C2CCCC2)CC1	2
CC(C)=CCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C	0
CN(C(=O)c1ccc(F)cc1)C1CCCCC1	0
CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+](Cc1c[nH]c3ccccc13)CC2	2
COc1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1	0
COc1ccc(C2=N[n+]3c(n(C)c4ccccc43)SC2)cc1	1
O=C1C[C@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccccc1	0
Cn1c(N2CC[NH+](CCc3ccccc3)CC2)cc(=O)n(C)c1=O	1
CC[N+](CC)(CC)CC#CCCCCC#CC[N+](CC)(CC)CC	2
COC(=O)c1csc(C(=O)OC)c1C	0
CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1	0
CCN(CC)CC[NH3+]	1
CCOc1ccc2[nH]c(=NN=C3C(=O)CC(C)(C)CC3=O)sc2c1	0
Cc1cc(-c2ccccc2)n(-c2cc(N3CC[NH+](C)CC3)ncn2)n1	1
Cn1nc(C(=O)NCC23CCC[NH+]2CCC3)c2ccccc21	1
CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccccc1	1
CCOc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1OC	2
C[C@@H]([NH3+])c1cccc(S(=O)(=O)NCC[NH+](C)C)c1	2
C[N+](C)(C)CCOC(OCC[N+](C)(C)C)(c1ccccc1)c1ccccc1	2
O=C([O-])CCn1cnc2ccccc2c1=O	-1
CC1(C)Cc2c([nH]c3nc[nH+]c(N)c23)CO1	1
CNC(=O)C1C(C)(C)C1(C)C	0
CC[N+]1=C(C)c2ccc(C)n2CC1	1
O[C@@H]1CSCc2nc3ccccc3n2C1	0
Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2	0
COc1cc2[nH]c(C)[nH+]c2cc1OC	1
[NH3+]CCc1nc(-c2ccccc2)n[nH]1	1
CC(C)c1nc(N)nc(NN)[nH+]1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccc(F)cc1F)C2	1
CC(=O)CSc1n(C)c(C)c(C)[n+]1C	1
CC[NH+](CC)C[C@@H](O)C=O	1
CCOC(=O)N1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1	1
O[C@@H](C[NH2+]C1CCCCC1)CSC[C@@H](O)C[NH2+]C1CCCCC1	2
CC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCC(C(N)=O)CC1	1
Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCC(C)CC2)c1	1
CC[NH+](CC)CCC[C@@H](C)NC(=[NH2+])NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1Cl	2
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c(=O)[nH]2)C1	2
Cc1cc(N2CCCCC2)[nH+]c2ccc(N)cc12	1
CCOC(=O)N1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1	1
Cc1cc[n+](C[C@@H](O)COc2ccccc2)cc1	1
[NH3+]CCc1c[nH]c2ccc(OC(=O)c3cccc(C(=O)Oc4ccc5[nH]cc(CC[NH3+])c5c4)c3)cc12	2
CN(Cc1cc[nH]n1)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	2
C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1	1
COc1c2c(cc3c1[C@@H](CC(=O)C(C)C)[N+](C)(C)CC3)OCO2	1
C[C@H]([NH3+])[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H]([NH+](C)C)C4(C)C	2
CSc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1	0
c1ccc2c3c([nH]c2c1)[C@H]1[C@@H]2CC[C@@H]([C@H]4CCC[NH2+][C@H]42)N1CC3	1
Cc1oc2cc(OC(=O)CNC(=O)OCc3ccccc3)ccc2c(=O)c1Oc1ccccc1	0
Nc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1	1
CCCC[NH2+]C	1
COc1ccc2[nH]c3c(C)c4cc[nH+]c(NCCC[NH+](C)C)c4cc3c2c1	2
Cc1cc(C)c(C#N)c(SCC[NH+]2CCCCC2)n1	1
C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2	1
CNc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCN(C(=O)C[N@@H+](C)Cc1ccc(OC)cc1)C2	2
FC(F)(F)c1cccc(N2CC[NH+](CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1	1
O=C1C[C@@H]([NH2+]Cc2ccccc2)C(=O)N1c1ccccc1	1
OC1(c2cccnc2)CC[NH2+]CC1	1
CCc1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1	0
O=C1NC(=S)NC1=Cc1ccccc1Sc1ccc(Cl)cc1	0
C/C=C/C1=[NH+]CCN1CCO	1
CC[NH+](CC)CCOC(=O)c1cc2cc3cc(C(=O)OCC[NH+](CC)CC)c(=O)oc3c(C)c2oc1=O	2
CC(=O)c1cc2cccc(OC[C@H](O)C[NH2+]C(C)C)c2o1	1
COC(=O)c1ccccc1S(=O)(=O)C1CC[NH2+]CC1	1
C[C@@H]1CCc2c(oc3ccc(NS(=O)(=O)c4ccccc4)cc23)C1	0
Cc1cc(C)n2c(C)cc[n+]2c1	1
COc1ccc(-c2csnn2)cc1S(=O)(=O)[N-]c1ccccc1	-1
CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3ccc(OC)cc23)ccc1O	2
CNC(=O)C1c2ccccc2Oc2ccccc21	0
CCOC(=O)[C@@H](C#N)[C@@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	1
COc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCc1cccnc1	2
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC[C@@H]2CCCC[N@H+]2C)c1	2
CC[NH+](CC)CCN1C(=O)[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@]2(C)NC(=O)c2ccccc21	2
CN(C)c1ccc(-c2cc[n+](C)cc2)cc1	1
Cn1cc(C(N)=O)c(=O)c2ccccc21	0
CC1CCC([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)CC1	1
Cn1c(-c2ccc3ccccc3n2)[n+](C)c2ccccc21	1
CC1(C)C[C@@H](O)C[C@](C)(C[NH3+])C1	1
CC1=C(Cl)C(=O)O[C@@]1(C)C[NH+](C)C	1
COc1ccc(Br)cc1CSc1ccccc1C1=[NH+]CCCN1	1
Cn1cc(C[NH2+]CC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cccc(Cl)c2)n1	2
CCCC[NH2+]CC(=O)Nc1ccc(NC(=O)C[NH2+]CCCC)cc1	2
CC[NH+](CC)CCN(CC[NH+](CC)CC)c1c(OC)cccc1OC	2
O=C(c1cccs1)N1CCCCC1	0
Cc1cccc2cccc(Cl)[n+]12	1
O=C1c2cccc3cccc(c23)N1C[NH+]1CCCCC1	1
CC[N@@H+](CCO)Cc1cc2cc(Br)ccc2s1	1
Cc1cccn2c(NC3CCCCC3)c(-c3ccccc3O)[nH+]c12	1
Brc1cncc(N2CC[NH+]3CCC2CC3)c1	1
COc1cc2c(cc1OC)C(Nc1cc(C)ccc1C)=[NH+]C(C)(C)C2	1
CCOC(=O)c1cc(C(C)(C)C)oc1C[NH3+]	1
CN(C)C(=O)COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)c1ccc(O)c(CCO)c1)CC2	1
CCOC(=O)N1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1	1
CCOc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1F	-1
CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1	0
C1CCN(C2=[NH+]CCN2)C1	1
C[NH+](C)CCO[C@@H](c1ccc(Cl)cc1)c1ccccn1	1
O=C1NCCN(c2ccccc2)N1	0
CC[NH+](CC)CCn1c(CC[NH+]2CCCC2)nc2cc([N+](=O)[O-])ccc21	2
Cc1ccc(NC(=O)c2ccccc2)cc1F	0
COc1ccc(C(=O)CNC2=[NH+]CCOC2)cc1	1
CC(C)[C@@](C[NH3+])(CCCC[NH+]1CCCC1)c1cccc2ccccc12	2
O[C@@H](CN(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1	1
CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]CCc3ccc(OCC)cc3)s2)CC1	2
FC(F)(F)c1cccc(-n2cccc2)c1	0
C[N@H+]1CCC[C@@H](OC(=O)COc2ccc(F)cc2)C1	1
O=S1(=O)C=C(SCC[NH+]2CCCC2)c2ccccc21	1
O=C1[C@H]2CCC[C@@H]1CC[C@H]2[NH+]1CCCCC1	1
CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccc(C)cc3)c2)CC1	2
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1	2
CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)OC)C1	2
CC[n+]1c(-c2c(C)oc3cc(OC(C)=O)ccc3c2=O)csc1C	1
Clc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1	2
O[C@@H](COc1cccc(C[NH2+]CCCc2cccnc2)c1)C[NH+]1CCCCCC1	2
O=C(c1c(F)cccc1F)N1CCCC1	0
CCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(OC)cc1	0
COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccc(Cl)nc1	1
CC[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c(=O)c2ccccc12	1
O=C(NC[C@@H]1CCCO1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
O=C(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1	1
S=C(NC1CC1)N1CCC[N@@H+](Cc2cccc3ccccc23)CC1	1
COC(=O)c1ccccc1NC(=O)c1cc[n+](C)cc1	1
CN(N)c1nc(N2CCCC2)nc(N2CCCC2)[nH+]1	1
CCOc1cc(Cc2c[nH+]c(N)nc2N)cc(OCC)c1-n1cccc1	1
CCN(CC)C(=S)SCc1csc(C)n1	0
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]Cc2cc(F)ccc2C)c1	2
Cc1cccc(Nc2nc(CC(=O)N(CC[NH+](C)C)C3CC[NH+](C)CC3)cs2)c1	2
Cc1ccc(C(=O)NC2CCCCC2)cc1C	0
C[NH+]1CCN(NC(=O)C2CCCC2)CC1	1
CCOC(=O)/C=C/[n+]1cccc(C)c1	1
CNC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=[NH2+])NC)cc3)cc2)cc1	2
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC1CC[NH2+]CC1	1
[NH2+]=C(NOC(=O)c1ccc(Br)o1)c1ccc(C[NH+]2CCCCC2)cc1	2
CS(=O)(=O)c1ccc2ccn(O)c2c1	0
Cc1nc2n(CC[NH+]3CCCCC3)c3ccccc3n2c1C(=O)c1cccs1	1
COc1ccc2c(Cl)c(C(N)=O)sc2c1	0
C[C@@H]([NH3+])Cc1[nH]nc2ccc(O)cc12	1
CCOC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc12	0
NC(=[NH2+])c1ccc(N=NNc2ccc(-c3cc4cc(C(N)=[NH2+])ccc4o3)cc2)cc1	2
C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3ccccc3)C2)C1	2
c1ccc(CN[n+]2cnn(Cc3ccccc3)c2)cc1	1
COc1ccc(C[NH+](C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C	2
Cc1cc(Oc2ccc(NC(=O)[C@@H](C)n3cc[nH+]c3C(C)C)cc2)cc(C2CC[NH2+]CC2)n1	2
C[NH+](Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)Cc1ccccn1	2
[NH3+]CCCSC[C@@H](COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1)SCCC[NH3+]	2
C=CCN(C1=[NH+]CCN1)c1c(Cl)cccc1Cl	1
N#CC(C#N)=Cc1sc(Cl)cc1Cl	0
c1ccc(OCC2=NNc3ccncc3N2)cc1	0
CC[C@@H](O)C[NH+]1CCCC1	1
CC[NH+](CC)CCc1nc(-c2ccccc2)no1	1
O=C(CC[N@H+]1CCc2ccccc2C1)Nc1ccc2c(c1)OCO2	1
O=C(C[C@@H]1[NH2+]CCCNC1=O)Nc1cc(Cl)ccc1Cl	1
Cc1ccc(O)c([C@@H](CC(=O)N2CC[NH2+]CC2)c2ccccc2)c1	1
COc1ccc(C2=NN(C(C)=O)C3(CCCC3)O2)cc1OC	0
c1[nH]nc(C2CCCCC2)c1C[N@H+](CC1CC[NH+](C2CCCC2)CC1)C[C@@H]1CCCO1	2
Cc1cc([C@@H]2CCC[NH2+]2)on1	1
CC[N+](C)(C)Cc1ccc(OCC(C)C)c(C[N+](C)(C)CC)c1	2
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH+]5CCCCC5)C4=O)cc3)sc2c1	1
COc1ccc(CC[N@H+](Cc2csc(C(C)=O)c2)CC2CC[NH+](C)CC2)cc1	2
Cc1c(O)c(C[NH+]2CCCCC2)cc2c(-c3ccccc3)cc(=O)oc12	1
FC(F)(F)c1cc(N2CC[NH2+]CC2)c2ccccc2n1	1
CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1	2
CC(=O)Nc1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1	0
COC(=O)C1=CC[NH2+]CC1	1
OC[C@H](C#CC[NH+]1CCCC1)NCc1ccccc1	1
OC1CC[NH2+]CC1	1
CCOC(=O)[C@@H]1CCCCN1C1CC[NH+](C)CC1	1
Cc1cccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1	1
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+](C)C	1
O=C(c1ccccc1)N1c2ccccc2-c2ccccc2S1(=O)=O	0
O[C@@H](C[NH2+]CCCCCC[NH2+]C[C@@H](O)COc1ccccc1)COc1ccccc1	2
Cc1nn2c(N)c(C#N)cnc2c1-c1ccccc1	0
COc1c(Cl)cc[n+]([O-])c1C	0
CC[N+](C)(CC)C/C=C\CC[N+](C)(CC)CC	2
CCCC[NH+](CCCC)C[C@@H](O)C[NH+](CC)CC	2
COc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)cc(OC)c1OC	2
C[NH2+]C[C@@H]1COCCO1	1
CSc1nc2ccccc2n1Cc1ccccn1	0
FC(F)(F)c1ccc2nccnc2c1	0
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C(C)C	1
CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Br	1
Clc1ccc2nc(N3CCC[NH2+]CC3)sc2c1	1
CC(C)[NH2+][C@@H](C)Cc1ccc(I)cc1	1
Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC([C@@H](C)[NH+]2CCOCC2)CC1	2
O=C1NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)N1	0
COc1cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc(Br)c1O	1
[NH3+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12	1
N#CCc1ccc(N2C(=O)CCC2=O)cc1	0
Cc1nc2ccccc2c(=O)n1-c1ncccc1[C@@H]1CCC[N@@H+]1C	1
C[C@@]1(O)CC[N+](C)(C)N1C=O	1
O=C1C[C@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1	0
NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2OC(=O)c3ccccc32)CC1	1
Oc1ccc(N2CC[NH+](Cc3ccc(OC[C@@H](O)C[NH+]4CCCCC4)cc3)CC2)cc1	2
CC(C(=O)NCC[NH+]1CCCC1)(c1ccccc1)c1ccccc1	1
[NH3+]CC1CCC(C(=O)Nc2cccnc2)CC1	1
Cn1c[n+](C)ccc1=O	1
O=C(c1ccccc1)n1c(=S)nc2ccc(Br)cn21	0
O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)N1CCCCC1	0
COc1cc(OC)cc([N+]2(C)CCOCC2)c1	1
Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccc2F)n1	1
CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1c2ccccc2C[C@H]1[NH+]1CCCC1	1
CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1	1
c1ccc(C[C@@H]2[NH2+]CCn3cccc32)cc1	1
O=C(CCCCC(=O)Nc1ccc(C2=[NH+]CCN2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1	2
O=c1c2ccccc2nnn1CSc1ccc(Cl)cc1	0
C[N@H+]1CC[C@@](O)(c2cccc(Cl)n2)C1	1
Cc1ccc(Nc2nc(C#N)c(C#N)nc2Nc2ccc(C)cc2)cc1	0
O=C(CCN1CC[N@H+]2CCC[C@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21	1
CCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1	1
COc1c(C)cnc(CSc2nccn2C)c1C	0
Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2ccccc12	0
Cc1cc(Cl)ccc1NC1=[NH+]CCN1	1
COC[C@@H]([NH3+])Cc1ccccc1	1
O=c1c(Cl)c(N2CC[NH2+]CC2)cnn1-c1ccccc1	1
Cc1cc2nnnn2c2ccccc12	0
COc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1	1
COc1ccc([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)cc1	1
N#Cc1cn(Cc2ccccc2)nn1	0
CC[n+]1ccn(C)c1C	1
CCc1c(C#N)c(=O)oc2ccc(C)cc12	0
CCN(CC)c1ccc(C=C(C#N)C#N)cc1	0
C[N+]1(C[C@@H]2COC3(CCCC3)O2)CCCC1	1
Cc1ccc(C(=O)N2C(=O)[C@@H](c3ccccc3)Oc3ccccc32)cc1	0
CC(=O)OC[N+]1(C)CCCCC1	1
COc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1OC	0
CSc1nccc2ccccc12	0
Fc1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1	1
N#Cc1cnn2c1[nH]c(=O)c1ccccc12	0
CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2Cl)CC1	2
CC(=O)c1c(C(C)=O)c(C)n(CCc2c[nH]c3ccccc23)c1C	0
S=C(SN1CCOCC1)N1CCOCC1	0
O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(F)cc1	0
CCOC(=O)c1c(C)oc2ccc(O)c(C[NH+](C)C)c12	1
C[NH2+]CC(N)=O	1
CCOC(=O)Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCC[NH+](CC)CC)c1cc(NC(=O)OCC)ccc21	2
Cc1c(C)n2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc2n1CC[NH+]1CCCCC1	2
N=C(N)c1ccco1	0
Clc1cc(/N=C/c2ccc3c(c2)OCO3)ccc1Br	0
COc1ccc(C2(CNC(N)=[NH2+])CCCC2)cc1OC	1
COc1ccc(CC[N@H+](Cc2ccc(Cl)s2)CC2CC[NH+](C)CC2)cc1	2
Cc1c(C2CC[NH+](CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1	1
CC1(C)C(=O)O[C@H](c2ccc(Cl)cc2Cl)C(C)(C)C1=O	0
COC(=O)[C@@H]([NH3+])CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1	2
C[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCC1	1
[NH3+]C1(CO)COC(c2ccncc2)OC1	1
Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4cc[nH+]c(N)c4)cc3C)cc2)c(Cl)c1	2
CCOC(=O)CCCc1c(-[n+]2ccccc2)[nH]c2ccccc12	1
CCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21	0
CC[NH+](CC)CCNC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1	2
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccc(OC)c2)C1C(=O)OCC	1
Clc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl	1
COc1cccc(C[NH+]2CCSCC2)c1OC	1
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccco2)CC1	1
O=C(O[C@@H]1C[NH+]2CCC1CC2)[C@@H]1COc2ccccc2O1	1
CC(C)(O)[C@H]([NH3+])c1ccccc1	1
CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C(N)=O)CC1	1
C[N@H+]1CCc2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3	1
Nc1cc(-c2ccc(F)cc2)[nH+]c(N)n1	1
CCN1C(=O)C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1=O	1
O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1	2
C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]Cc1cccnc1)C1CCCCC1	2
C[NH+](C)CCN(Cc1ccccc1)c1nc2ccccc2o1	1
c1cc2c(cc1N1CCCC1)CCN2	0
O=C(/C=C/c1ccc(Cl)cc1)N1CCCCC1	0
C[C@@H]([NH3+])Cc1cn(C)c2ccc3c(c12)CCCO3	1
CC(=O)Nc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(N)=O)CC1	1
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)c1	0
O=C(NC1CCCCC1)c1ccco1	0
COC(=O)c1cnn(C(=O)Nc2c(C)cccc2C)c1C(OC)OC	0
CCNc1ccc[nH+]c1N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1	1
COC1CCC(C(=O)[O-])CC1	-1
[NH3+]C[C@@H](O)COc1c(Cl)cccc1Cl	1
CCNC(=O)NCc1cccc(Cl)c1	0
COc1cccc(O[C@H](C)CNC(=[NH2+])Cc2cccc(C)c2)c1	1
COc1ccccc1S[C@H](CC[NH+](C)C)c1ccccc1	1
Cc1cccc(OC[C@H](O)C[NH2+]C(C)(C)C)c1C	1
Cc1ccc(C(=O)N(CC#N)CC#N)cc1C	0
COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC[C@@H](O)C[N@@H+](C)C(C)C	2
CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C	2
CC[NH+]1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)CCCC5)CC1	1
C[C@H]([NH3+])COCc1ccccc1	1
Cc1ccc([C@]2(C)N(O)[C@@H](C)C(c3cccs3)[N+]2=O)cc1	1
Cc1cc(C)n(-c2ccc(SCc3ccc(Cl)cc3)nn2)n1	0
CC[NH+](CC)CC1OCC2(CO1)COC(C[NH+](CC)CC)OC2	2
CN1CCSC1=[NH2+]	1
C[NH+](C)CCc1cc2c(c3c1ccc1ccccc13)OCO2	1
CC[N@H+](Cc1nc2ccccc2n1C)CC1CC[NH+](CCc2ccccc2C)CC1	2
Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(F)c1)c1cccnc1	0
O=c1[nH]c2ccccc2n1C1=CC[NH2+]CC1	1
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1	0
c1cc2c(cc1CC1=[NH+]CCN1)OCO2	1
Cc1ccc2c(c1)[C@H](N1CCCC1=O)[C@@H](O)C(C)(C)O2	0
C[N+]1(CC[N+]2(C)CCC[C@@H]2c2cccnc2)CCC[C@@H]1c1cccnc1	2
C=CC[N+](C)(C)CCSc1nc(C)cc(COC)c1C#N	1
O=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO	0
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=O	0
CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1	2
CC(C)Nc1ncc2c(n1)N(C)C(=O)C2	0
Cc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-]	1
C[NH+]1CCN(c2cc3c(cc2N)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	0
COC(=O)c1cc(C[N+](C)(C)C[C@@H](O)CO)c(Cl)cc1Cl	1
COC(=O)c1sc(SC)c(C#N)c1-c1ccc(Cl)cc1	0
COCc1cccc(C(=O)N2CCCCC2)c1	0
Cc1cccc[n+]1CCC(N)=O	1
COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C	0
CNC(=O)Nc1ccccc1F	0
CCN(CC)C(=O)c1ccc[n+](CCC(N)=O)c1	1
Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1[N+](=O)[O-]	0
COc1ccc2c(c1)NC(=O)CCC2	0
C[C@@H]1CCC[C@@H](C)[NH+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1	2
CCC(=O)N(c1ccccc1)[C@H](C)C[NH+]1CCCCC1	1
CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N(Cc1ccccn1)[C@@]2(C)O	1
Cc1oc2c(c1C(=O)NCc1cc(C(=O)[O-])co1)CCCC2	-1
NC(=O)CNC(=O)c1ccccc1	0
CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)cc1	2
Cc1cc(-c2onc(C)c2C(=O)[O-])no1	-1
COc1ccc2c(c1)CC[N@@H+]1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21	1
COCC1(C[NH3+])CC1	1
CN1CCN(NC(=O)/C=C/C(=O)[O-])CC1	-1
C[C@H]1[NH2+]CCO[C@@H]1c1ccccc1	1
Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccoc2)C[C@@H]2CCCO2)CC1	2
CN(CC[NH+](C)C)n1cc(-c2ccccc2)c2ccccc21	1
CNc1oc(-c2ccc(C)cc2)nc1C#N	0
O=c1c2ccccc2[nH]c(=S)n1CCC[NH+]1CCCCC1	1
N#Cc1c(-c2ccco2)cc[nH]c1=O	0
NC(=[NH2+])Nc1ccc(C(=O)Nc2cnccn2)cc1	1
c1ccc(COc2cccc(C[NH2+]Cc3cccnc3)c2)cc1	1
O[C@@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@H]1O)[C@H]23)OCO5	0
O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(Br)cc1	0
Nc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2ccccc2)C3)cc1	1
c1ccc(Cn2c(N3CC[NH2+]CC3)nc3ccccc32)cc1	1
COc1ccc([C@H](O)c2c(C[NH+]3CCCCC3)c3ccccc3n2C)cc1	1
Nc1nccc[n+]1Cc1ccccc1	1
[NH2+]=c1ccn(Cc2ccccc2)cc1	1
CC(=O)N1CC[NH2+][C@H](C(C)C)C1	1
[NH3+]CCCOc1ccccc1	1
Cc1cc(C)[n+]2nc(N)c3ccccc3c2n1	1
Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccn2)[NH+]2CCCCC2)c1C	1
COc1ccc(C[NH2+]Cc2ccc(F)cc2)c(OC)c1	1
CCOC(=O)C(C#N)=NNc1ccc2[nH]c(C)[nH+]c2c1	1
CC[NH+](CC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	1
COc1cc([C@@H]2NC(=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC	0
COc1ccc(-c2[nH+]c3ccccn3c2NCCc2ccccc2)cc1	1
C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cc[nH+]c1C	1
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1	0
O=C1CS[C@@H](c2ccccc2)N1c1ccccc1	0
C[NH+]1CCN(c2ncnc3c2nnn3Cc2ccccc2Cl)CC1	1
O=CN1CCc2scc[n+]2-c2ccccc21	1
C[NH+](C)CCNc1ncnc2scc(-c3ccccc3)c12	1
O=C([O-])[C@@H]1C[NH2+][C@H](c2cc(Cl)ccc2O)S1	0
Cc1cc(C)cc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1	2
Cn1c(=O)c2nc[nH]c2n(CCC[NH+](C)C)c1=O	1
COc1cc2c(cc1OC)-c1cc(OCC[NH+](C)C)nc(=O)n1CC2	1
CC(=O)Cn1ccccc1=S	0
CCC1CCC([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1	1
CC[N@H+]1CCc2c(c([O-])[n-]c(=O)c2C#N)C1	-1
CSc1nnc(SC)n1NC(=[NH2+])c1cccc(C(F)(F)F)c1	1
OCc1ccccc1O	0
Cn1nc(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)c2ccccc21	1
CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O	0
COc1ccc(-c2[nH+]c3cccc(C)n3c2NCCC(C)C)cc1	1
COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3[nH]cnc3C)CC2)cc1	2
C[C@@H]([NH3+])Cc1cccc(O)c1	1
CCC[NH+](CCC)C1Cc2cc(OC)c(OC)cc2C1	1
CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)CC1	2
Cc1ccc(C)n1-n1c(C)nc2scc(-c3cccs3)c2c1=O	0
CC(=O)Nc1ccc(OCC[n+]2cccc(C(N)=O)c2)cc1	1
O=C(Nc1ccc(Cl)cn1)C1CC1	0
COC(=O)c1cc(-c2ccccc2OC)on1	0
COC(=O)c1cc(-c2ccccc2OC)[nH]n1	0
O=[N+]([O-])c1cn(Cc2c(Cl)cccc2Cl)cn1	0
Cc1cc(N(CCO)CCO)nc(NCc2ccccc2)[nH+]1	1
O=C([O-])CSc1nc2ccccc2[nH]1	-1
CC[C@@H](CO)[NH2+]C(C)C	1
O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1	0
C[C@@H](C[N+]1(C)CCCCC1)OC(=O)CCCCC(=O)O[C@@H](C)C[N+]1(C)CCCCC1	2
CC(C)[NH+]1CCC(CC(=O)N2CC[C@@]3(CCC[N@@H+](CC4CCCCC4)C3)C2)CC1	2
Cc1csc(NC(=O)Nc2cccnc2)n1	0
ClCC1=Nc2ccccc2Cc2ccccc21	0
OC(c1ccc(F)cc1)c1ccc(F)cc1	0
O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	0
COc1cccc(C[N@H+]2CCCN(c3nc(CN4CC[NH+](C5CCCCC5)CC4)cc(=O)[nH]3)CC2)c1OC	2
CN(c1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(C)(=O)=O	1
Brc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1	2
[NH3+]Cc1ccc(Cl)cc1	1
COc1cccc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)(C)C)c1	1
Clc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1	0
c1ccc(-c2nccnc2-c2ccccc2)cc1	0
C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccc1	0
O=c1cc(CO)oc([C@@H](Nc2ncccn2)c2ccc(F)cc2)c1O	0
C[NH+](C/C=C/C(=C\C#CC(C)(C)C)C[N@@H+](C)Cc1cccc2ccccc12)Cc1cccc2ccccc12	2
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)cc1Cl	2
O=c1c2ccc[nH]c-2cn1Cc1ccccc1Cl	0
COC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	0
CN(CCN(C)/[NH+]=C/c1ccc(N(C)C)cc1)/[NH+]=C/c1ccc(N(C)C)cc1	2
COc1ccc2c(c1)-c1c(ccn1C[C@H](C)[NH3+])C2	1
COc1ccc(CCNC(=O)C[NH+]2CCC(C)CC2)cc1OC	1
Cc1cccc(NC2=[NH+]CCN2)c1C	1
CCOC(=O)c1c(C)[nH]c2ccc(O)cc12	0
O=C(c1ccccc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	1
c1cnc2c(c1)C[NH2+]C2	1
c1cncc(Cn2cccc2)c1	0
Cc1nc2ccccc2nc(C)c1=NOCc1ccc(C#N)cc1	0
O=S1(=O)Nc2cccc3cccc1c23	0
S=C1CO[C@@H](c2ccccc2)N1c1ccccc1	0
C[N@@H+](Cc1ccccc1)C1CCN(Cc2cccnc2)CC1	1
Cc1ncc([N+](=O)[O-])n1CCc1ccncc1	0
C[C@@H](CCN(C)C)[NH+](C)C	1
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(O)c(C[NH2+]CCO)c3)c2c1	2
COc1ccc(Cc2c(N)nc(-c3ccccc3)[nH+]c2N)cc1	1
COc1ccc(C(=O)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC	1
O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCc1cccnc1	0
CC[NH+](CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21	1
Cc1sc2ncnc(N3CCN(C)CC3)c2c1-c1ccccc1	0
C=CCc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12	0
COC(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1	0
CCn1nccc1C[NH2+]C	1
CCCC[N@@H+](CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](Cc1ccccc1)CC2)Cc1ccccc1	2
OCC[C@@H]1CCCC[NH2+]1	1
[NH3+]Cc1ccc(C(F)(F)F)nc1	1
O=C(N[C@@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1)c1ccco1	0
COc1ccc(C)cc1NC(=O)c1ccc(OC(C)=O)cc1	0
CC[NH+](CC)c1ccc(Nc2[nH]c(=O)nnc2C)cc1	1
CCc1ccc(NC(=O)c2cccs2)cc1	0
COc1cc(CSC2=[NH+]CCN2)cc(OC)c1OC	1
CC1=C[C@H](C)[C@H](COC(=O)C[NH+]2CCCC2)[C@@H](C)C1	1
NC(=O)N(O)[C@@H]1CCc2cc(Oc3ccccc3)ccc21	0
C[NH2+][C@H]1Cc2cccc3[nH]c(=O)n(c23)C1	1
CC(C)N1CC[C@@H](O)N1C(=O)CC#N	0
CC[N+](C)(C)CC/C=C1/c2ccccc2S[C@@H]2C=CC(Cl)=C[C@H]12	1
CC1=C[C@@H](C)C2(COC(C[NH+]3CCCCC3)OC2)[C@@H](C)C1	1
N#CCS(=O)(=O)c1cccc(Cl)c1	0
O=C1NCN(c2ccccc2)C12CC[NH+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2	1
Clc1ccc2c(c1)sc[n+]2Cc1cccc2ccccc12	1
CC[NH+]1CCN(C(=O)CCC2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)CC1	2
Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH3+]	1
[NH3+]CCCCCCc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc34)cc2)cc1	2
NC(=[NH2+])NCc1nn(Cc2ccccc2)c(=O)c2ccccc12	1
Cc1cc(C)[n+]2cc(-c3ccc(Br)cc3)sc2n1	1
COc1c(C)c(C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC(C)(C)C)c(OC)c2ccccc12	2
NC(=[NH2+])CCc1ccccc1	1
NC(=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5	2
COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)c(OC)c1OC	0
CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(O)cc3)c2c1	1
C[C@@]12CC[C@@](C[NH3+])(CC(=O)C1)O2	1
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH3+]	2
CCN(CC)C1=[NH+]CCN1	1
COc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1	0
C=C(C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1	0
Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)C1	2
COC(=O)c1c[nH+]ccc1N	1
C[N+]1(CCOCc2ccccc2)CC[N+](C)(CCOCc2ccccc2)CC1	2
Cc1noc(C)c1COc1ccc2ccc(=O)oc2c1	0
O=C(CCc1ccccc1)O[C@@H]1C[NH+]2CCC1CC2	1
CN(C(=O)c1ccn[nH]1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1	0
O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc21	0
CC[C@H](C)C[NH+]1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(CCC[NH+](C)C)C2=O)CC1	2
Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH2+]Cc4cccc5ccccc45)CC3)ccnc2c1	2
COC(=O)[C@@H]1CCC[N+](C)(C)C1	1
[NH3+]Cc1cc2c(cc1-n1cccc1)OCO2	1
CC[NH+](CC)C[C@H](O)c1ccccc1	1
Cc1cc2c(n1-c1ccc(C(=O)NCCC[NH+]3CCC([NH+]4CCCCC4)CC3)cc1)CCCC2	2
COc1cc(O)c2ccccc2c1OC	0
Cc1c(Cl)ccc2c(NCCCCCCNc3cc(C)[n+](C)c4c(C)c(Cl)ccc34)cc(C)[n+](C)c12	2
CCC[N@@H+](CC1CC1)C1CCN(C(C)=O)CC1	1
C[N+](C)(C)c1cccc(N)c1	1
Cc1ccn2c(NC[C@@H]3CCCO3)c(-c3ccc(N(C)C)cc3)[nH+]c2c1	1
C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1C[C@H](O)Cn1cccn1	1
Nc1[nH+]c2ccccc2n1Cc1cccc2nonc12	1
CC[NH+]1CCN(c2c(C[N@H+](Cc3ccccc3C(F)(F)F)CC(C)C)c(C)nn2-c2cccc(F)c2)CC1	2
Cc1ccccc1NC(=S)N(C(C)C)C1CC[NH+](C(C)C)CC1	1
C[C@@H]1C(=O)CC[N@@H+](CCO)[C@@H]1C	1
CC[NH+](CC)CC(=O)Nc1c(C)cccc1C(=O)OC	1
C[N+](C)(C)CCBr	1
COc1cc(Cc2c[nH+]c(N)nc2N)cc2c1N[C@@](C)(CF)C(F)=C2C	1
Oc1c(C[NH+]2CCCCC2)cc(C23CC4CC(CC(C4)C2)C3)cc1C[NH+]1CCCCC1	2
CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(C)cc2)cc1	1
CC[N@H+]1CCC[C@H](N2C(=O)OC(C)(C)[C@@]2(C)O)C1	1
Cc1cc(C)n([C@@H](C)C[NH3+])n1	1
C[NH+](C)Cn1nnc2ccccc21	1
Cc1ccc(C(=O)Nc2ccccn2)cc1C	0
CCOc1ccc(C(=O)C[n+]2ccc(-c3cc[n+](CC(=O)c4ccc(OCC)cc4)cc3)cc2)cc1	2
Clc1ccc(C=NNC2=Cn3c(nc4ccccc43)N[NH2+]2)cc1	1
Cc1nc(-c2ccccc2)c(CC(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)s1	2
Cc1cc(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)ccc1F	-1
CCOc1cc(C(=O)Nc2cc(C)on2)cc(OCC)c1OCC	0
Clc1ccc(-c2noc(C[NH+]3CCCC3)n2)cc1	1
O=C1Nc2ccccc2C12OCCCO2	0
O=S(=O)(NCc1ccccn1)c1ccccc1	0
CC[NH+]1CCN(c2oc(COc3ccccc3)nc2C#N)CC1	1
CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](Cc3cccc4ccccc34)CC2)cc1	2
C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21	2
COc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)c1	0
Cn1c(Cn2cc(C(F)(F)F)ccc2=O)n[n-]c1=S	-1
Nc1c(NCC[NH+]2CCCC2)c2ccccc2oc1=O	1
Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)cc1	0
Cn1c[n+](Cc2ccccc2)cn1	1
CC[NH+](CC)CC(=O)NCC1(c2ccccc2)CCOCC1	1
CC(C)CC[C@@]1(CC[NH2+]CCC[NH+](C)C)CCO[C@H](C(C)C)C1	2
OC1(c2ccc(Cl)cc2)CC[NH+](Cn2nnc3ccccc32)CC1	1
COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1O	2
Cc1n2ccccc2c[n+]1N	1
CC1(C)C[C@@H](C[NH3+])C(C)(C)N1O	1
O=C(NN=c1cc[nH]c(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1	0
COc1ccc(C(N)=[NH2+])cc1	1
Cn1cc(S(=O)(=O)[N-]Cc2ccco2)c(C(F)(F)F)n1	-1
c1nc(CC2CC[NH2+]CC2)c[nH]1	1
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc([C@@H](O)CC[NH+](C)C)cc3)c2c1	2
COC(=O)[C@@H]1CSC[C@@H]1[NH3+]	1
[NH3+]C1(C(=O)c2ccccc2)CC1	1
CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2)c1	0
O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccc(F)cc1)C3	0
C#CC1(O)CC(C)(C)[NH2+]C(C)(C)C1	1
C[NH+](C)CCN(Cc1ccccc1)c1ccccc1	1
COc1ccc([C@H](c2c(C)[nH]c3ccccc23)[NH+]2CCC(C)CC2)cc1	1
Cc1ccc(CNc2nc3ccccc3n2CC[NH+](C)C)o1	1
CC(C)c1cc(NCC[NH+](C)C)n2c(nc3ccccc32)c1C#N	1
CC(=O)C[C@H]1CCC[N@@H+]1C	1
Cc1nc(N2CC[NH+](C)CC2)c2cnn(CCc3ccccc3)c2n1	1
CC1(C)CC(Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)[NH2+]1	1
Cc1ccc(C)[n+](CNC(=O)c2ccc(Cl)cc2Cl)c1	1
C[N+]1=C(C=CNc2ccccc2)OCC1	1
O=C(Nc1ccccc1)Nc1ccc2ncccc2c1	0
COc1cc(C[NH2+]C(C)(C)C)ccc1OCC(=O)NC(C)(C)C	1
O=C1C=CC[C@H]2[C@H]3CCC[N@H+]4CCC[C@H](CN12)[C@H]34	1
Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2	0
COc1ccc(NC(=S)Nc2ccccc2N2CCOCC2)cc1	0
CCNC(=O)c1ccc(Cl)s1	0
Cc1cccc(OC[C@@H](O)C[NH2+]C(C)C)c1OC[C@H](O)C[NH2+]C(C)C	2
CS(=O)(=O)c1ccc(C(=O)[O-])s1	-1
CC(C)C(=O)OC[C@H]1CCC[N@H+]2CCCC[C@H]12	1
CCC[NH+]1CCC([C@H](Cc2ccccc2)[N@@H+](CCOC)Cc2cccnc2)CC1	2
O=c1[nH]cnc2c1C[NH2+]C2	1
Cn1cc(C[N@H+](CC2CC[NH+](C3CCCC3)CC2)C[C@@H]2CCCO2)cn1	2
CNC(=O)c1ccc(OC(C)=O)cc1	0
COC(C[NH2+][C@@H]1CCCc2c1[nH]c1ccc(C)cc21)OC	1
C[NH+](C)CCOC(=O)c1ccco1	1
C[NH+]1CCN(c2ccc(Nc3ncnc4sc5c(c34)CCCC5)cc2)CC1	1
COc1ccc2c(ccc(C)[n+]2C)c1	1
C[NH+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21	1
COc1ccc2oc(C(=O)c3ccc(F)cc3)c(NC(C)=O)c2c1	0
C[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	-1
O=[N+]([O-])c1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1	0
COc1cccc2cc(-c3nc4cc5ccccc5cc4[nH]3)c(=O)oc12	0
CNC(=O)c1ccccc1SCCC(=O)[O-]	-1
O=C([C@@H]1CCCC[NH2+]1)N1CCN(Cc2cccnc2)CC1	1
C[C@@H](NC(=O)CSc1nnc(N)s1)c1ccccc1	0
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@]12C[NH2+]C[C@H]1COC2	2
C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+]	1
O[C@@H](C[NH2+][C@@H]1CN2CCC1CC2)COc1cccc2ccccc12	1
CC[NH+](CC)C[C@@H](O)COc1cc(C(F)(F)F)ccn1	1
COCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1	1
CNC(=O)Nc1ccc(F)cc1Cl	0
NC(=S)c1c(Cl)cncc1Cl	0
C[NH+](C)CCC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1	2
COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCC[NH+]2CCCC2)cc1	1
CCOC(=O)c1cnc2cccc[n+]2c1Cl	1
CCSC1=NCC(=O)N1c1ccccc1	0
C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1ccc(F)cc1	2
NC(=O)N(O)CC1CCC1	0
CCN1C=CC(=C/C=C(/C=C\c2cc[n+](CC)c3ccccc23)c2cc[n+](CC)c3ccccc23)C=C1	2
CC(C)c1ccc([N-]c2nnns2)cc1	-1
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1csc(C(C)C)n1	2
Cc1ccc(CCSc2ccc(Cl)c(Cl)c2)cn1	0
Cc1ccc(OCc2nn3c(=O)c(C)nnc3s2)cc1	0
Cc1cc(Br)c(O)c2ncccc12	0
C[N@H+]1CCc2c(sc(NC(=S)Nc3ccccc3)c2C#N)C1	1
O=C([O-])CNc1ccc(O)cc1	-1
CNC(=O)c1sc2nc(-c3ccc(OC)c(OC)c3)ccc2c1N	0
CC(C)(C)[NH2+]C[C@H](O)COc1nsnc1N1CCOCC1	1
C[C@@H](Cc1ccccc1)[NH2+]CCCC[NH2+][C@@H](C)Cc1ccccc1	2
CN1CC[C@H](S)C1=[NH2+]	1
CC[N+]1(CC)CCOC(=O)C1	1
CC(=O)Nc1cn(C(C)=O)c(C)n1	0
CCOc1ccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)cc1	0
C[C@H]1C[NH2+]CCN1c1ccccc1	1
COc1ccc(C2=NN[C@@H](c3cc4ccccc4nc3Cl)C2)cc1	0
COC(=O)c1c(-n2cnnn2)sc(C)c1C	0
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2	2
CC(C)COc1ccc(NC(=S)Nc2ccc(-c3ccccn3)cc2)cc1	0
C[N+](C)(CCCCCC[N+](C)(C)CCCN1Cc2ccccc2C1=O)CCCN1Cc2ccccc2C1=O	2
Cn1cnc2c1CC[N@@H+](C[C@H](O)c1ccc(Br)cc1)C2	1
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1Cl	0
CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12	0
CCCc1nc2cc(C)c(C)cc2nc1C	0
O=C(c1nc2ccccn2c1C[N@@H+]1CCC[C@@H](CO)C1)N1CC[NH+](C2CCCCC2)CC1	2
CC(C)(C)c1ccc(C#N)cc1NC(=O)Nc1ccccc1	0
C1NCC2C[NH2+]CC1O2	1
c1cc2c(cn1)C[NH2+]C2	1
Cc1cccn2c(NC(C)(C)CC(C)(C)C)c(CC(C)C)[nH+]c12	1
[NH2+]=C1c2ccccc2CN1CC(=O)c1ccc(Cl)cc1	1
Oc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1	1
Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2)c(C)c1	0
C/C=C/CNc1nc(N2CCC([NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc(NC/C=C/C)[nH+]1	2
OC[C@@H](O)C[NH+]1CCCCC1	1
O=C(NCC[NH+]1CCCCC1)c1[nH]nc2c1C[NH2+]CC2	2
Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1C	1
COc1ccc(C(=O)c2c(N)sc3c2CC[N@@H+](C)C3)cc1	1
Cc1ccc2c(c1)SCC(=O)N2	0
Cc1cc(=O)oc2cc(OCC[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc12	1
[NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	2
c1cncc(OC[C@H]2CC[NH2+]2)c1	1
c1ccc2c(C[NH2+]CCCC[NH2+]Cc3cccc4ccccc34)cccc2c1	2
Cc1cc(C)c(S(=O)(=O)n2cncn2)c(C)c1	0
Cc1cc(NCCCCCCNc2cc(C)[nH+]c3ccc(N)cc23)c2cc(N)ccc2[nH+]1	2
C=CC[N+]1(C[C@@H](O)COc2cccc3ccccc23)CCOCC1	1
CC[NH+](CC)[C@@H]1CCN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)C1	2
O=C(NC(=S)Nc1ccccc1)c1sc2ccccc2c1Cl	0
CC(C)C[NH+](Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1)CC(C)C	2
CC1(C)NC(=[NH2+])NC(=N)N1OCc1ccc(Cl)c(Cl)c1	1
CC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1C(C)(C)C	0
Cc1cccc(C(=O)N(C)Cc2ccccc2)c1	0
Cc1coc2ccccc2c1=O	0
CCc1c(Cc2[nH]c(C)c(C(C)=O)c2C)[nH]c(C(=O)[O-])c1C	-1
CN1C(=O)C[C@@H]2C[C@@]1(C)Oc1ccccc12	0
CC(C)CCN=NC(N)=[NH2+]	1
Cc1ccccc1OC[C@H](O)C[N@@H+]1CC=CCC1	1
C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H](O)C1	1
C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NC)c(N)cc1OC	1
NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(-c3ccccc3)cs2)CC1	1
Cc1nc(NC(=O)c2ccccc2Br)sc1C	0
Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OC3)cc1	1
Cc1cccc(Cl)c1NC(=O)C[NH3+]	1
O=C(Oc1cccc2cccnc12)c1cc([N+](=O)[O-])ccc1Cl	0
COc1ccc(C(Cl)=C(c2ccc(OCC[NH+](C)C)cc2)c2ccc(OCC[NH+](C)C)cc2)cc1	2
Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)nc1	0
CC(C)[N+](C)(C)C[C@@H](O)COc1cccc2ccccc12	1
COc1ccc(CNc2cc(C)cc[nH+]2)c(O)c1	1
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc1	0
NC(=S)c1ncn2c1NC(=S)CC2	0
CCCC[NH+](CCCC)CCCCNc1c(C)c[nH+]c2cc(Cl)ccc12	2
CC(C)(C)c1cc(CCC(=O)N2CC[NH2+]CC2)c(C(C)(C)C)cc1O	1
C[NH+]1CCN(c2c[nH]c(=O)[nH]c2=O)CC1	1
COc1ccc(-c2cc3ccccn3c2)cc1	0
C[N+]1(C)CCC[C@@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1	1
CN(C)C(=O)c1ccccc1C(=O)N(C)C	0
C(=N/[n+]1ccccc1)\c1ccccc1	1
COc1ccc2c(c1)C(CCC[NH+]1CCN(c3ccccc3OC)CC1)=CCC2	1
Brc1csc(Cc2c[nH]cn2)c1	0
O=C1CS[C@@H]2C[NH2+]CCN12	1
CC[NH+](CC)CCn1c2ccccc2n2nc(C)c(C(C)=O)c12	1
CCCc1cc(OC)c(C[C@@H]2c3cc(O)c(Cl)cc3CC[N@@H+]2C)cc1OC	1
OC1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
CCOC(N)=C1C=CC(=O)C=C1	0
CNC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1C1Cc2ccccc2C1	2
F[C@H]1CCCN(C2C[NH2+]C2)C1	1
c1ccc(-c2nnc(OCC[NH+]3CCCCC3)c3ccccc23)cc1	1
Cn1c[n+](C[C@@H](O)COC[C@@H]2CC=CCC2)c2ccccc21	1
CCCC[N@@H+](C)C[C@@H](C)O	1
O=C1CC[C@@H]([NH2+]Cc2ccc(O)c(C[NH+]3CCOCC3)c2)[C@H](c2cc(F)cc(F)c2)N1	2
CC[NH+](CC)CCOc1ccc2c(C)cc(OCC[NH+](CC)CC)nc2n1	2
C[NH+]1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1	1
CCOc1ccc([N+]2=C3CCCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1	1
Cc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)ccc1C(C)C	0
CC(C)(C)[N@H+]1CC[C@@H]1C(N)=O	1
CC[NH+](CC)CCSc1ccc2c(C)cc(SCC[NH+](CC)CC)nc2n1	2
O=C(N[C@@H]1CCCCNC1=O)c1cccc(C(F)(F)F)c1	0
CN(N)C1=NS(=O)(=O)c2ccccc21	0
Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1	0
O=C(OC1CCCCC1)c1ccc(NC(=O)c2cccs2)cc1	0
COc1c2c(cc3c1OCO3)CC[N+](C)=C2	1
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[NH+](C)C)c2c1	2
COc1cc(NC(=O)CC[NH+]2CCCCC2)cc(OC)c1	1
Cc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)n1-c1ccc2c(c1)OCO2	2
CN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O	1
C#C[C@](C)(CC)OC(=O)c1ccccc1C(=O)[O-]	-1
CC1(C)CC(NC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)[NH2+]1	1
CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(N)ccc1OC	1
CCc1nc(C)nc(N2CCN(C(=O)C3CCCC3)CC2)c1Cc1ccc(Cl)cc1	0
CN(C(=O)c1ccco1)C1CC(C)(C)[NH2+]C(C)(C)C1	1
CC[NH+](CC)CCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(OC)ccc2[nH]c1=O	2
O=C1C[C@H](N2CCSCC2)C(=O)N1c1cccc(Br)c1	0
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2o1	0
C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1	2
COc1ccc(OC)c2c(N)c(C#N)c(C(F)(F)C(F)(F)F)nc12	0
COC(=O)CC1(C[NH+](C)C)CCCCC1	1
COc1ccc(C=O)cc1CSC1=NCCS1	0
O=C([O-])[C@@H](Cl)Cc1cnc[nH]1	-1
N#Cc1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCC2	1
O=[N+]([O-])c1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1	0
CC[NH+](CC)CCn1c2ccccc2n2cc(-c3cccc4ccccc34)nc12	1
CC[NH+]1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1	1
Cc1ccc(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1	0
COc1ccc(N2CC[NH+](C3CCN(C(C)=O)CC3)CC2)cc1	1
CC1=CC(C)(C)N(C(=O)CSc2nncn2C)c2ccccc21	0
OCC[NH+]1CCC(CCCC2CC[NH+](CCO)CC2)CC1	2
CC[N+](CC)=c1scc(-c2ccc([N+](=O)[O-])cc2)s1	1
ON=c1[nH]c2ccc(OC(F)(F)F)cc2s1	0
CC[N@H+]1CCC[C@H]1CNc1ncnc2c1[nH]c1ccc(OC)cc12	1
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1Cl)c1ccccc1	0
CC[NH+]1CCC([NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)CC1	2
CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1	0
C[N@@H+](CCO)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21	1
O=C([O-])[C@@H](O)c1ccccc1	-1
C1=Nc2ccccc2N=CC(CCC[n+]2ccccc2)=CNc2ccccc2NC=C1CCC[n+]1ccccc1	2
C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1	2
C[C@@H]1CCc2ccccc2N1C(=[NH2+])Nc1ccc(Cl)cc1	1
C[n+]1ccccc1C=O	1
COc1ccc(C(=O)C=C([O-])c2ccc(OC)cc2)cc1	-1
CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1	1
O=C1c2c(O)cccc2Cc2cccc(O)c21	0
CNC(=[NH+]C)c1ccc(NC(=O)c2ccc(/C=C\C(=O)Nc3ccc(/C(NC)=[NH+]\C)cc3)cc2)cc1	2
O=C(c1cccc(C[N@H+]2CCN3c4ccccc4OC[C@H]3C2)c1)N1CCCCC1	1
COc1cccc(NC(=S)N(C)C2CC[NH+](C)CC2)c1	1
COc1cc(CN(C)C2CC[NH+](C)CC2)cc(OC)c1O	1
O=C(CC[NH+]1CCCCC1)NC[C@@H]1OCCc2ccccc21	1
C[NH+]1CCC[C@@H](C[N@@H+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1	2
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1OC[C@@H]1CCCO1	1
Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c2oc(=O)ccc12	1
c1ccc(-n2cccc2C[N@H+](CC2CC[NH+](C3CCCC3)CC2)C[C@@H]2CCCO2)nc1	2
Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C(C)(C)C)c1	1
COc1cccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1	1
CCOCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1	2
Cc1ccc2occ(CN3CCC([NH+]4CCCCC4)CC3)c(=O)c2c1	1
COCC[NH+]1CCC(C[N@@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1	2
O=C(/C=N/O)NCCC[NH2+]CCC[NH2+]Cc1ccccc1	2
CC(C)NC(=O)c1cccc(Cl)c1	0
NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1	1
CC(C)CC1=NN2C(=N)/C(=C/c3cccc(Cl)c3)C(=O)N=C2S1	0
COc1cc(C[C@@H](C)[NH3+])c(OC)cc1Br	1
COc1cc(OC)nc(C2CC[NH2+]CC2)n1	1
Cc1cc(=O)n2ncn(Cc3ccccc3)c2n1	0
O=C(Nc1cnc2sccn2c1=O)Sc1ccccc1	0
O=C(c1cccnc1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1	0
CC1(C)COC2(CCOCC2)OC1	0
Cc1cccc(C)c1N(CC(=O)NC1CCCC1)S(C)(=O)=O	0
O[C@H]1[C@@H]2CC[C@H]([NH+]3CCCC3)[C@H]1CC2	1
CCc1nc(C)nc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)c1Cc1cccc(F)c1	0
COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OC	1
O=c1[nH]nc(C[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)c2ccccc12	2
COc1ccc(O)c(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1	2
Cn1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc21	1
O[C@@H](COc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1)C[NH+]1CCCCC1	2
CC(C)CC[C@@H](CC[NH2+]CCC[NH+](C)C)c1ccc(Cl)cc1	2
CN(C(=S)NCCc1ccccc1)C1CC[NH+](C)CC1	1
O=c1[nH]c2cc([N+](=O)[O-])ccc2n2cnnc12	0
CCOCC[N+](C)(C)C	1
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)/[NH+]=C/c1ccc(N(C)C)cc1	1
COc1ccccc1NC[C@@H](O)C[NH3+]	1
CC[N+](CC)(CC)CCC[N+](CC)(CC)CC	2
C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OC)c1	2
Fc1ccccc1Nc1nc(NC[C@H]2CCCO2)c2ccccc2n1	0
O=C(C1=CON=C(c2ccco2)N1)c1ccc(Br)cc1	0
C[NH2+]Cc1ccncc1	1
Cc1cc(-c2ccc(N)c(C)c2)ccc1N	0
C[C@@H](C[NH+](C)C)[C@@](O)(Cc1ccccc1)c1ccccc1	1
CC(C)NC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)C)nn1	1
Cc1cc(/C=C/c2ccc(F)cc2)cc(C)c1O	0
C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1	0
COc1ccc(NC2=[NH+]CCOC2)cc1	1
Cc1ccc2nc(NC(=O)c3c(-c4ccccc4)noc3C)sc2c1	0
COc1ccc(CSCC(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)cc1	1
CC(=O)c1cc(C(C)=O)c(C)[n+](C)c1C	1
CCN(CC[NH+](C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	1
Cn1cc(C(=O)NC2CC[NH+](C)CC2)c2ccccc21	1
O=C1NC(=S)NC1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	0
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	-1
COc1ccc([C@@H]2C[C@@](C)(O)Oc3cc4c(cc32)OCO4)cc1	0
O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1cccs1	0
N#CC(C(=O)c1ccncc1)c1nc2ccccc2s1	0
C[NH+](C)CCC[C@@H]1c2ccccc2Sc2ccc(Cl)cc2[C@H]1O	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NS(=O)(=O)c1ccc(F)cc1)C2	1
c1ccc(C2CCC([NH+]3CCC(N4CCN(c5ccccc5)CC4)CC3)CC2)cc1	1
CO[n+]1ccc(-c2ccccc2)cc1	1
Cn1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)c[n+]2ccccc12	2
COc1cc2c3c(c1O)-c1ccccc1C[C@@H]3[N@@H+](C)CC2	1
C/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N\NC(N)=S	0
c1ccc2c(c1)CCN2c1cc[nH+]cc1	1
CC[NH+](CC)CCOC(=O)c1ccccc1C(=O)OCC[NH+](CC)CC	2
CO[C@@H]1CCC[N@@H+](CCC#N)C1	1
S=C1N(CN2CCCCC2)CCN1C[NH+]1CCCCC1	1
Cc1c[n+]2ccccc2n1N	1
O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1	1
COc1ccc([C@@]2(C)CC(=O)NC2=O)cc1	0
COc1cc2c(cc1OC)C(C)[N+](=O)[C@@H](c1ccccc1)N2	1
CC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1	0
CC[NH+]1CCN(CC(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)CC1	2
Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc(C#CCO)s4)C3)C2)c1	2
CCOC(=O)N1CCC([N@@H+](CC)Cc2ccccc2)CC1	1
CC(C)CC(=O)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1	1
CN(C)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)C)c5ccccc54)cc3)cc2)c2ccccc12	2
COc1ccc(Nc2nc(N3CC[NH2+]CC3)nc3ccccc23)cc1	1
O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1	1
C[C@@H]1C[C@@H](OC(=O)C[NH+]2CCCCC2)CC(C)(C)C1	1
Cc1cccc(C[NH+](C)C)n1	1
COc1cccc(N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1	1
Cc1cc(O)ccc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	0
COc1ccc(OC)c(C[NH2+]Cc2ccccc2OC)c1	1
CC[NH+](CC)CC[C@@H]1C[N@H+](C(C)C)CC1(c1ccccc1)c1ccccc1	2
CCn1c(N)nc2ccccc21	0
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c(/C=C/c2ccc(Cl)cc2)c1	2
COc1ccccc1N1CCC([NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)CC1	2
COc1ccc(Oc2ccccc2[N+](=O)[O-])cc1	0
C[N@H+]1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1	1
CC[N@H+]1CCO[C@H](C(=O)NCCC(=O)N2CCN(C)CC2)C1	1
C[NH2+]C[C@@H](C)C#N	1
Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCN(CC[NH+](C)C)CC3)C[C@H]2c2csnn2)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[NH+](CC)CCOc1ccc2c(c1)C(=NO)c1cc(OCC[NH+](CC)CC)ccc1-2	2
CCOC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C	1
CN(C)C(=O)OC[n+]1ccn(C)c1	1
CC(C)NC(=[NH2+])c1ccc(OCc2ccc3ccc(COc4ccc(C(=[NH2+])NC(C)C)cc4)cc3c2)cc1	2
Cc1sc2ncnc(Nc3ccc(Cl)cc3)c2c1C	0
CC(C)(C)C(=O)OCc1nc(-c2ccc(C(F)(F)F)cc2)cs1	0
NC(=O)C1([NH+]2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1	1
CCOC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	1
Cc1cc(=[NH2+])c2ccccc2n1C	1
C[NH+](C)CCNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1	1
COc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1OC	1
Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccco2)c2ccccc12	1
CC(C)(Cl)CCC[N+](C)(C)C	1
Clc1ccc2c(c1)[C@@H](O[C@@H]1C[NH+]3CCC1CC3)c1ccccc1CS2	1
CC(C)N1C(=O)CC2(CC[N+](C)(CCOC(=O)C(c3ccccc3)c3ccccc3)CC2)C1=O	1
COC(=O)[C@H]1C[C@H](O)CN1Cc1ccsc1	0
CC[C@H](C)[C@H]1C[NH+]2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@@H]4[N@H+](C)C3)(C(C)C)C(=O)N12	2
O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1	0
O=C(NCC[NH+]1CCCCC1)Nc1ccc(Cc2ccc(NC(=O)NCC[NH+]3CCCCC3)cc2)cc1	2
O=C([O-])CCC(=O)Nc1cccc(Cl)c1Cl	-1
C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1	0
CCCn1c(=O)c2nn(CC[NH+](C)C)nc2n(C[C@H](C)CC)c1=O	1
O=C1CCC(=O)N1OC(N1CCCC1)=[N+]1CCCC1	1
C=CC[NH2+]C1COC1	1
COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](C)CC1	1
CC[C@H](C)C(N)=[NH2+]	1
CCOc1cc2c(cc1OCC)[C@@H](C(CC)CC)[NH2+]CC2	1
Cc1ccccc1C[n+]1ccn(C)c1C	1
N=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@@H](O)c1ccco1	1
COc1cccc(N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1	1
CC1CC[NH+](CCCC(=O)c2ccc3oc4ccc(C(=O)CCC[NH+]5CCC(C)CC5)cc4c3c2)CC1	2
COc1ccc(S(=O)(=O)[O-])cc1N	-1
CC[C@@](O)(CC[NH+]1CCCCC1)c1ccccc1	1
CCN1C(=O)N(CC)[C@@H]2OCO[C@H]21	0
CCC[C@@H](C(=O)NCCNC(=O)[C@H](CCC)[NH+](C)C)[NH+](C)C	2
CCOC(=O)c1c(C)nc2c([C@@H]3CCC[N@H+]3C)cccn12	1
C[C@@H](Oc1ccccc1)C(=O)N1CCc2ccccc2C1	0
O=CN1CCCc2ccccc21	0
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCc4c[nH]cn4)[C@H]3C[C@H]12	1
C[NH+](C)CCC(=O)NCCCCCCNC(=O)CC[NH+](C)C	2
O=S(=O)(Cc1ccccc1)NCc1ccccc1	0
C[NH+]1CCC(OC(=O)c2ccc(Cl)cc2Cl)CC1	1
Cc1[nH+]ccn1C[C@@H](NC(=O)CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1	2
Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1C[NH+]1CCCC1	1
CNc1nc(N)cc[nH+]1	1
COc1ccc(O)c(Cc2[nH+]ccn2C)c1	1
C[NH+]1CCC(OC(=O)c2ccccc2F)CC1	1
CC[NH+](CC)Cc1c(O)ccc2c(C[NH+](CC)CC)c(O)ccc12	2
C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccccc2F)C1	1
COc1cc(N)cc(C(F)(F)F)c1	0
COc1cc2c(cc1OC)C1(CCCC1)C[N@@H+](CCC[NH3+])[C@@H]2C	2
COc1ccc(CN2CCC([N@H+]3CCC[C@@H](C)C3)CC2)c(OC)c1	1
Cc1sc2ccc3sccc3c2[n+]1C	1
[NH2+]=C(NCCNC(=[NH2+])c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	2
CC(C)[NH2+]C[C@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1	1
CCC(=O)Nc1nc2ccccc2n1CC[NH+](C)C	1
C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C(=O)N(CC[NH+]1CCCC1)c1ccccc1C(=O)N2	2
COc1ccc2c(c1)N(CC[C@H]1CCCC[N@H+]1C)c1ccccc1S2	1
Cc1cc(C)[n+]2cnn(N)c2n1	1
CCOc1cc(C[NH2+]Cc2cc(OC)cc(OC)c2)ccc1OC	1
C[C@]12C[NH2+]C[C@](C)(CN(Cc3ccccc3Br)C1)C2	1
C[C@@H](CO)[NH+]1CCCCCC1	1
Oc1ccccc1[C@@H](Nn1cnnc1)c1ccc(Br)cc1	0
COc1ccc(C(=O)COc2ccc(Br)cc2)c(O)c1	0
O=[N+]([O-])c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1	0
C[C@@H]1CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O	1
Cc1ccc(C[C@@H]2C[C@@H](C(=O)OCc3ccccc3)N(C(=O)OC(C)(C)C)C2=O)cc1	0
CCOC(=O)c1cccc(Nc2cc(C)[nH+]c3c2ccc2ccccc23)c1	1
COc1cccnc1NC(=O)NC1C[C@@H]2CC[C@H](C1)[N@H+]2C	1
N#CC[n+]1ccc2ccccc2c1	1
O=C([O-])c1ccc(CSc2ccccn2)cc1	-1
CSC1=[NH+][C@@H]2CCCC[C@H]2N1	1
COc1cc(OC)c(/C=N/[O-])cc1Br	-1
C[NH2+]CCc1cn[nH]c1	1
CCOc1ccccc1C[NH+]1CCC(C(=O)NC[C@@H]2CCCO2)CC1	1
Cc1cccc2[n+]1CC(=O)NN2C	1
CCc1[nH+]ccn1Cc1cc(C[NH2+]C2(c3ccccc3OC)CCCC2)ccc1OC	2
Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccn2-c2ncccn2)C1	2
c1[nH]nc2c1C[NH2+]CC2	1
C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2)C1	2
CNC(=S)Nc1ccc(C)c(C#N)c1	0
C[NH+]1CCC2(CC1)OCCO2	1
COc1ccc(Br)cc1CO	0
Nc1nonc1-n1nnc(C[NH2+]C2CCCCC2)c1C[NH2+]C1CCCCC1	2
C[NH2+]CCSC	1
C[NH+]1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1	1
COc1ccc2sc3c(c2c1)NCCNC3=O	0
CC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)C[NH+](C)C)c(=O)n2C3)CC1	2
CCOC(=O)Nc1cc([N+](C)(C)C)ccc1OCCOc1ccc([N+](C)(C)C)cc1	2
CN(C)c1ccc(/C=[NH+]/C2=NN(c3ccccc3)CC2)cc1	1
Cc1cc(C)[n+]2nc(SCc3ccccc3)sc2n1	1
COC(=O)C12CC[NH+](CC1)C2	1
O=C1CCCc2nc3c(cc21)C(=O)CCC3	0
CC[N+](C)(CC)CCOC(=O)Cn1c(=O)c2ccccc2c(Cc2ccccc2)[n+]1C	2
Cc1nc2ccccc2nc1CSc1nnc(-c2ccccc2)n1C	0
O=C(c1ccc(Cl)cc1)c1cccs1	0
C[NH+](C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21	1
O=C(NC1CC1)c1sc2ccccc2c1Cl	0
C[N@@H+](CCc1ccccn1)Cc1c[nH]c2ccccc12	1
NC1=[NH+]CCCN1Cc1ccc(Cl)nc1	1
Cc1ccc(C(N)=O)cn1	0
O=C(Nc1ccc(F)cc1)N1CCN(c2cc[nH+]cc2)CC1	1
Cc1ccc[nH+]c1N	1
Cc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1	1
CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1C[C@@H]1CCCO1	0
O=C1CCC[C@H]1C[NH+]1CCCC1	1
Cc1cc(S(=O)(=O)c2ccc(Cl)c(C)c2)ccc1Cl	0
COc1cccc(CNc2[nH+]c3ccccc3n2C)c1O	1
CC[N+](C)(CC)CCOc1ccccc1N(CC[N+](C)(CC)CC)c1ccccc1	2
CCc1c(C)nc2cccc[n+]2c1C	1
COc1cc(Br)c(C=O)cc1O	0
Cc1nc(SCc2c(C)noc2C)c2c3c(sc2n1)CCC3	0
Fc1ccc(Cn2c(N3CC[NH+](CCCNc4cc[nH+]c5cc(Cl)ccc45)CC3)nc3ccccc32)cc1	2
CC(=O)Oc1ccc(-c2nc3cc(Cl)ccc3c(=O)o2)cc1	0
COc1ccc(CSc2nnc(-c3ccc(OC)cc3)o2)cc1	0
CCN(CC)C(=O)C[NH2+]C	1
Cc1cc2c(-c3ccccc3F)nc(N3CC[NH2+]CC3)nc2s1	1
CC1CC[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1	1
COc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2	2
CC(C)[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1	1
[NH3+][C@H]1CC=CC[C@H]1CO	1
O=C(NCCC[NH+]1CCOCC1)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1	2
CC[N+](C)(CC)CCOCCOC(=O)[C@@H](c1ccccc1)[N+]1(C)CCCCC1	2
C[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1	2
CN(C)C(=O)NCC[NH+](C)C	1
Cn1c(=O)c2c(ncn2CC[NH+]2CCN(c3ccccc3Cl)CC2)n(C)c1=O	1
C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C)CC1	1
Cc1cc(C)c2cc(C(=O)NCC[NH+]3CCCCC3)[nH]c2c1	1
COC(=O)C1=C(c2ccccc2)C(c2ccccc2)=C(C(=O)OC)C1=O	0
C[C@@H]1CCN(C)C[C@@H]1[NH3+]	1
Fc1cc2nsnc2cc1Cl	0
[NH3+]CC1(c2ccc3c(c2)OCCO3)CCCC1	1
COc1ccccc1-[n+]1c(-c2ccc(Br)cc2)cn2c1CCCCC2	1
O=C1c2ccccc2S(=O)(=O)N1c1c(F)c(F)nc(F)c1F	0
Clc1ccc2c(c1Cl)C[NH+](CCCCCCC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2	2
COc1ccccc1[N+]1=C2CCCCCN2C[C@@]1(O)c1ccc(Br)cc1	1
Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C	0
C[C@@H]1COC[C@@H](C)[NH2+]1	1
N#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	0
COc1cc2c(cc1OC)-c1cc(N3CC[NH2+]CC3)nc(=O)n1CC2	1
CN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCCCC2)on1	2
CC(=O)OC[C@@H](C)[N+](C)(C)C	1
[NH3+]CCCCC[NH+]=C1Nc2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1	2
C[n+]1cccc([O-])c1	0
COc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1	1
COc1cc2[nH+]ccc(N)c2cc1OC	1
CC[NH+](CC)CCNc1ncnc2ccc(Br)cc12	1
CCc1ccc(C[NH+](C)Cc2ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c2)nc1	2
Cc1scc2c1N(C(=O)CN1CC[NH+](CCCCCCCCCC[NH3+])CC1)c1ccccc1NC2=O	2
CC(C)C[NH+](CC(C)C)Cn1c(=O)oc2ccccc21	1
C=CCNc1nc(N2CCC([NH2+]C[C@@H](c3ccccc3)S(=O)(=O)c3ccccc3)CC2)nc(NCC=C)[nH+]1	2
O[C@@H](COCCOCC[NH+]1CCCCC1)C[NH+]1CCCCC1	2
C=C(C)C[NH+]1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1	1
C[N+]12CCCC[C@@H]1[C@H](CCOC(=O)c1ccc3c(c1)OCO3)CCC2	1
C[NH+](C)CCOC(c1ccccc1)c1ccccc1	1
COc1ccc(S(=O)(=O)NC(C)C)cc1	0
O=C1Cc2cc(CC[NH+]3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1	1
NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O	0
Clc1cncc(OC[C@H]2CC[NH2+]2)c1	1
C[N+](C)(C)Cn1c(=O)sc2ccccc21	1
CC[NH+](CC)CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1	2
O=C1CCCC2=C1[C@H](c1ccccn1)c1c(ccc3ncccc13)N2	0
C[NH+](C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(C(F)(F)F)cc1	1
O=C(NC1(C(Cl)(Cl)Cl)OCCO1)c1ccc(F)cc1	0
CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2C[NH+](C)C)cc1	1
O=C([O-])CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1	-1
CC(C)C[NH+](CCOc1cccc(N2C(=O)C3=C(CCCC3)C2=O)c1)CC(C)C	1
Nc1ccc(Cc2ccncc2)cc1	0
CC[C@@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1	0
CC(=O)Nc1ccc2n(C)c(-c3ccc(OC(=O)N(C)C)cc3)c[n+]2c1	1
CC(C)(C)S(=O)(=O)/C(C#N)=C/N1CCOCC1	0
Cc1nc2ccccc2c(O)c1C=O	0
COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC	0
COc1ccc(/C=C2\[C@@H](O)C3CC[NH+]2CC3)cc1	1
CN1c2ccccc2Oc2nnc(N3CC[NH+](C)CC3)cc21	1
CC1(C)CC(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)CC(C)(C)[NH2+]1	1
Nc1[nH+]c(-c2ccccc2)cn1Nc1ccccc1	1
Cc1cccc(OCC(=O)N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1	1
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C[NH+]2CCCC2)C1	1
[NH2+]=C1CSc2ccccc2N1	1
C[n+]1ccccc1-c1nc2ccccc2s1	1
CCOc1ccc(C[NH+](CCO)CCO)cc1C(=O)OC	1
CC(C)N/C(=[NH+]\C(C)C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(NC(C)C)=[NH+]/C(C)C)cc3)cc2)cc1	2
COc1cccc(-c2[nH+]c3cc(C)ccn3c2NC2CCCC2)c1OC	1
Cc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)[nH]n1	0
N#Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N	0
CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](C[N+]3(C)CCOCC3)O2)cc1	1
COc1cc(CC[NH3+])cc2c1OCO2	1
[NH3+]CCCN(CCCCN(CCC[NH3+])C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	2
CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1	0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc[nH+]cc3)nc21	1
Fc1ccccc1-c1nc2ccccc2s1	0
O=C1[C@@H](C[NH+](Cc2ccccc2)Cc2ccccc2)CCC[C@@H]1C[NH+](Cc1ccccc1)Cc1ccccc1	2
O=C(N/N=C/c1ccco1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	1
CC[N@H+](Cc1ccc(C#CC(C)(C)O)s1)CC1CC[NH+](CCc2ccccc2C)CC1	2
O=C1NCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1	1
CSc1[nH]c(-c2ccccc2)nc2nc(-c3ccccc3)cc(=O)c1-2	0
CC(C)C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1	1
CC[NH+](CC)c1ccc(Nc2snc3c2c(=O)n(C)c(=O)n3C)cc1	1
COc1ccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)c[n+]2c1	1
COc1ccc(C2=CC(=O)C=CC2=O)cc1	0
Nc1nnc(SCc2ccccc2Cl)s1	0
CCC[NH+]1CCC(N2CCC(O)CC2)CC1	1
CC[NH+](CC)C[C@@H]1CCC[N@@H+](Cc2c(-c3ccc(OC)cc3)[nH]c3ncccc23)C1	2
CC[NH+](CC)CCC[C@@H](C)Nc1c(C)c[nH+]c2cccc(C)c12	2
O=C(N1CC[NH2+]CC1)N1CCOCC1	1
O=C(Nc1ccccc1)c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	1
COc1ccc(/C=[NH+]/Cc2ccc(OC)cc2)cc1	1
COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1OC	0
Cc1ccccc1OCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
Cc1ccccc1Oc1cc(C#N)c(C#N)cc1Oc1ccccc1C	0
O=C1c2ccccc2C(=O)c2c(O)ccc3cccc1c23	0
O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21	1
COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1	2
COc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(OC)cc4)cc3)cc2)cc1	2
Cc1ccc(NC(=[NH+]CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cc1	2
CC[NH+](CC)CCn1c2ccccc2n2c(C(C)=O)c(-c3cc(C)ccc3C)nc12	1
Cc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N(C)C	0
NC(=O)N(O)Cc1ccc(-c2ccccc2)o1	0
O=S(=O)(Cc1cccc[n+]1Cc1ccccc1)c1ccccc1	1
CCc1ccnc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1	0
Cc1ccsc1/C=N/c1ccc(Cl)cc1C(=O)c1ccccc1	0
C[N+]1(CCOC(=O)CCCCC(=O)OCC[N+]2(C)CCCCCC2)CCCCCC1	2
O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(C[NH+]2CCCC2)cc1	2
C(#Cc1cccc(C#CCCC[n+]2cccc(-c3ccccc3)c2)c1)CCC[n+]1cccc(-c2ccccc2)c1	2
O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@@H]1C2	0
O=c1[nH]c(-c2ccccc2)nc2c(O)cccc12	0
COc1ccc(C[NH2+]C2CCN(C(C)=O)CC2)cc1	1
c1ccc(CN(CC[NH+]2CCCC2)c2ccccc2)cc1	1
C[N+](C)(C)CCCOC(=O)CCCCCCC(=O)OCCC[N+](C)(C)C	2
Fc1cccc(C[N@H+](CC2CC[NH+](C3CCCC3)CC2)C[C@@H]2CCCO2)c1	2
O=C(Nc1ccc2c(c1)OCO2)c1cncc(Br)c1	0
CON1C(=O)CC2(CC[NH2+]CC2)C1=O	1
O=C1NCC2(CC[NH+](CCc3ccccc3)CC2)O1	1
Cc1ccc2c(c1)sc[n+]2Cc1ccc(Br)cc1	1
C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCN2N=C(c3ccccc3)CCC2=O)C1	2
CSc1nc(C)cc(C)c1C[NH3+]	1
Oc1cc2c(cc1C(O)(C(F)(F)F)C(F)(F)F)OCO2	0
NC(=O)[C@@H]1CCC[C@@H]1[NH3+]	1
C[NH+](C)CCOC(=O)c1sc2ccccc2c1Cl	1
CCOC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1	0
O=C(NCc1cccc(Cl)c1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	-1
COc1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2	1
N#Cc1c(/N=C/c2ccc([N+](=O)[O-])o2)sc2c1CCCC2	0
CC[N+]1(CC)CC1	1
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1	2
Cc1cc(NC(=O)CCC(=O)[O-])n(C)n1	-1
O=C(CSc1nc2ccccc2[nH]1)Nc1nc2ccccc2s1	0
O=C(COC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCOCC1	1
N#Cc1c(NC(=O)CSc2ccccn2)sc2c1CCCC2	0
O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@@H](O)C2	1
CC(C)(C)CC(=O)Nc1cccc(F)c1	0
CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(N5CCCC5)cc4)cc3)cc2)cc1	2
O[C@@](C1=NCCN1)(c1ccc(Cl)cc1)c1ccccn1	0
Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3s2)CC1	0
COc1ccc(/C=C2\SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1	0
C1=C(c2ccc3c(c2)c2c4n3CC[NH2+][C@@H]4CCC2)CCC1	1
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cn1	0
Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3s2)c1	0
C[NH2+]C[C@@H](OC)c1cccc(C(F)(F)F)c1	1
CNC(=O)c1cccc(NC(=O)Cc2ccc3ccccc3c2)c1	0
C[C@@H]1C[N@H+](CCC(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)Cc2cc(Cl)ccc2O1	2
CC[NH+](CC)CCNc1c2ccccc2nc2c1c(C)nn2C	1
O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	2
C#CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21	1
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)c1ccc(Cl)cc1)OCO2	0
C=CC[N@@H+]1CC[C@H]2c3cccc(OC)c3CC[C@@H]21	1
Cc1ccc(NC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1	0
Cc1ccc(C(=O)c2ccn(C(=O)c3ccc(F)cc3)n2)c(C)c1	0
COC(=O)c1coc(=O)c(Br)c1	0
NC(=[NH2+])[C@@H](O)c1ccc2c(c1)OCO2	1
COc1ccc(OCC(=O)Nc2ccccc2C(C)C)cc1	0
Cc1ccc2nc(N3CCCC3)[nH]c2c1	0
N#Cc1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	1
C[NH2+]Cc1ccc(Cl)cc1	1
Nc1cc(N)[nH+]c(SCC(=O)c2ccccc2)n1	1
C[NH2+]Cc1cccc(Cl)c1	1
CC[C@@]1(O)C[C@H](C)[N@@H+](C)C[C@@H]1C	1
O=C(Nc1ccc(Cl)cc1)c1cc[nH]n1	0
Cc1nn(-c2ccccc2)c(C)c1C(N)=O	0
CCOc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1O	0
[NH3+][C@@H](CO)Cc1c[nH]cn1	1
O=c1c(Cl)c(C(F)(F)F)oc2ccccc12	0
COc1ccc([C@@]2(O)CN3CCCSC3=[N+]2c2ccc(Br)cc2)cc1	1
Cc1cccc(S(=O)(=O)N(C)[C@H](C)CC[NH+]2CCC(C)CC2)c1	1
Cc1nc2c(=O)n(CC(C)C)c(=O)n(CC(C)C)c2[nH]1	0
CC1(C)COC(C2CC[NH2+]CC2)OC1	1
O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1CCc2ccccc2C1)c1ccccc1	1
CCCCN1CC[NH2+]CC1	1
C[N@@H+](CCc1ccccn1)[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
COc1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1	0
C(=C1CC[NH2+]CC1)c1c[nH]cn1	1
c1ccc2c(c1)CCC[C@@H]2Nc1ncnc2[nH]cnc12	0
O=C(c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)N1CCCCC1	1
O=C(c1ccccc1)c1cn2ccccc2n1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C2	1
Cn1nccc1-c1ccccc1O	0
CC[C@@H](C)C(=O)C[NH+](C)C	1
COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CC[C@H](C)C2	0
O=C(Cc1ccc(Br)cc1)NC[C@@H]1CCCO1	0
Cc1ccc(NCc2cc(Br)ccc2O)[nH+]c1	1
O=C([O-])c1ccc2c(c1)C(=O)N(CCCc1nc3ccccc3[nH]1)C2=O	-1
CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC[C@@H](C)O	1
Nc1cc(N)[nH+]c(SCC(=O)N2CCCCC2)n1	1
OCCn1ccc2c1CCCC2	0
Nc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2ccccc12	1
C[NH+](C)CCCN(CCC[NH+](C)C)CC1CCCCC1	2
C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1	2
C[N@@H+](Cn1c(=O)oc2ccccc21)C1CCCCC1	1
CCS(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1	1
O=C1O[C@@H]([C@@H]2OC(=O)c3ccccc32)c2ccccc21	0
Cc1cc(NCc2cccnc2)nc(N)[nH+]1	1
CN1C[C@@H](c2ccccc2)[NH+](CCCC[N@H+]2C[C@@H](c3ccccc3)N(C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1	2
CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1O	0
CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1	1
Nc1nc(-c2ccncc2)cc(=O)[nH]1	0
FC(F)(F)c1ccnc(N2CCC[NH2+]CC2)n1	1
CC(C)(CO)[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21	1
Fc1ccc(-c2[nH]cnc2-c2ccncc2)cc1	0
CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1	2
COn1c(C)c(C(C)=O)c2c3nonc3ccc21	0
Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)CCc3nc(C4=CC[N@@H+](C)CC4)no3)CC2)c1	2
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccoc1)C(C#N)=C(N)O2	0
CC1(C)CN(c2cc(=O)c3ccc4ccccc4c3o2)CCO1	0
O=S(=O)(c1cccc2nonc12)N1CCCC1	0
C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	0
CN(C)c1cc[n+](C#N)cc1	1
C[C@@]12[NH2+]CCN1C(=O)OC21CCCCC1	1
Cc1nc(NC(=O)C[NH2+]CC2CC2)sc1C	1
O=S1(=O)Nc2ccccc2N1	0
c1cc(C2=[NH+]CCN2)co1	1
CN(C)S(=O)(=O)N1CCCCC1	0
Cc1ccc(S(=O)(=O)N(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1	1
Cn1ccnc1S(=O)(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	0
O=C1CSCC(=O)N1c1ccc2c(c1)OCO2	0
CCOC(=O)/C(=C/c1ncc([N+](=O)[O-])n1C)C(C)=O	0
C#CC1(OC(=O)CCCCC(=O)OC2(C#C)CC[NH+](C)CC2)CC[NH+](C)CC1	2
COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCCCC1	1
C[N@@H+](CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1	1
CC(C)(C)[C@H](C[NH+]1CCCC1)OC(=O)c1ccccc1	1
COc1ccc2c(c1)c(C(=O)CNC1=[NH+]CCS1)c(C)n2C	1
O=C(/C=C/c1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1	0
Cc1ccc(NC(=O)C2CCC(C)CC2)cc1	0
C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCc2ccccc2C3=O)CC1	2
Cn1c(N2CC[NH+](C)CC2)c(C=O)c2ccccc21	1
c1ccc(-c2[nH+]cc3ccccn23)cc1	1
C=C(C)[C@@H]1Cc2nc(N)nc(C)c2C1	0
Cn1cc2c3c(cccc31)C1CC(CNC(=O)OCc3ccccc3)C[N@@H+](C)C1C2	1
CC1=C(C#N)[C@@H](c2ccc[n+](C)c2)C(C#N)=C(N)S1	1
CC1=NN(c2ccccc2)[C@H]2c3ccccc3[N+](=O)C(C)[C@@H]12	1
C[S@](=O)CCC[NH3+]	1
C[NH+]1CCC(OC(=O)COc2ccccc2)CC1	1
N#Cc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	-1
O=C(Nc1c2c([nH+]c3c1CCC3)CCCC2)C(c1ccccc1)c1ccccc1	1
COc1ccccc1CNC(N)=[NH2+]	1
CCOc1ccc(C[NH2+]Cc2ccccc2OC)cc1	1
[NH3+]CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	1
CCOC(=O)C(CC[NH+](C)C)(CC[NH+](C)C)c1ccccc1	2
C[NH+](Cc1ccc2ccccc2n1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1	2
CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	-1
c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1	0
CC(=O)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1	0
C[NH2+]CCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc12	2
Nc1cnc2ccccc2c1	0
C[NH+]1CCN(c2ccc(N)cn2)CC1	1
CC(C)Oc1ccccc1N1CC[NH+](Cc2cccc([C@H](O)c3ccccc3)c2)CC1	1
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1	-1
CC[C@@H](C)c1ccc(NC(=O)c2ccccc2Br)cc1	0
Cc1ccccc1CNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O	0
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2coc3ccc(Cl)cc3c2=O)C1	1
O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1	0
c1ccc(CCC[NH+]2CCN(c3ccccn3)CC2)cc1	1
CNC(=O)c1cccc(NC(=O)OCc2ccc(C)cc2)c1	0
O=C(C1CC[NH2+]CC1)N1CCN(c2cccc3[nH]ccc23)CC1	1
Clc1cccc(N2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c1	1
Cc1ccc(OC[C@@H](O)C[NH3+])cc1	1
COc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1	0
C[C@@H]1CCCCC[N+]1(C)CCO	1
CC(C)NS(=O)(=O)c1ccc(N2CC[NH+](C)CC2)nc1	1
COc1ccccc1N1CC[NH+](CCc2ccc3[nH]c(=O)sc3c2)CC1	1
NC(=O)C1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1	1
CC(=O)N1CCC([N@H+](CC2CC[NH+](Cc3ccccc3F)CC2)C[C@@H]2CCCO2)CC1	2
[NH3+]Cc1c[nH]c2ccccc12	1
CNC(=O)C[NH+]1CCC(NC(=O)CC[NH2+]C(C)C)CC1	2
C[N@H+]1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1	1
CC(C)C(=O)N(C)C1CCCCC1	0
O=C(COc1ccc2c3c(c(=O)oc2c1)CCCCC3)c1ccccc1	0
CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)N3CC[NH+](C4CCCCC4)CC3)s2)CC1	2
C[C@H]1C[N@@H+](C)[C@H](C)C[C@@]1(O)CC(O)(c1ccccc1)c1ccccc1	1
COc1cccc(NC(=O)N2CCC([N@@H+](C)C(C)C)CC2)c1	1
Nc1nc2c(ncn2[C@@H]2CC[C@H](CO)O2)c(=O)[nH]1	0
C[NH+]1CCN(/C=N/c2ncc(C(F)(F)F)cc2Cl)CC1	1
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1	1
COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C)CC1	1
CNc1nccn2c(Br)cnc12	0
O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1	1
c1cncc(OCC2=[NH+]CCN2)c1	1
C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C(=O)Nc1ccccc1	2
CCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1	-1
Cc1ncsc1[C@H](O)c1ccoc1	0
CC(=O)NC1(NC(C)=O)CC[N@H+](C)[C@@H](c2ccccc2)[C@H]1C	1
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C)c2C)C1	1
O=c1[n-]c(SCc2ccccc2)nc(O)c1-c1ccccc1	-1
CCOC(=O)c1cccc(NC(=O)Cc2cccs2)c1	0
COc1ccc(C(=O)Nc2ccncc2)c2cccnc12	0
CCOC(=O)C1CC[NH+](C(C)(C)C=O)CC1	1
COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5ccc(OCc6ccccc6)cc45)C3)[nH+]c2c1	2
CCc1cc(N)nc(N)[nH+]1	1
NC(=O)C1CC[NH+]([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1	1
COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1	0
Cc1ccc(NC(=O)c2cccc(/C=C/C(=O)[O-])c2)cc1	-1
Cc1ccccc1Cn1cccc1/C=C1\C(=N)N2C=CSC2=NC1=O	0
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1SCCC2	1
COCC[NH2+]CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1	2
O=C1NCCC12CC[NH2+]CC2	1
O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1)c1ccco1	2
COc1cc(CC2=[NH+]CCN2)cc(OC)c1OC	1
COC1CC[NH2+]CC1	1
ClC(N1CCCC1)=[N+]1CCCC1	1
CC[C@@H](O)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(OC)c1	1
CN(C)c1ccc(/C=[NH+]/N2CCN(c3ccccc3)CC2)cc1	1
c1cc(-c2ccncc2)ccn1	0
Cc1ccsc1C[N@H+]1CCC[C@@H]1CO	1
COCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1	2
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1	2
CC1CCN(Cn2ncn(C[NH+]3CCC(C)CC3)c2=S)CC1	1
O=C1CCC(=O)N1c1ccccn1	0
C[NH+]1CCC(=NOC(=O)Nc2ccccc2)CC1	1
Cc1nc2ccccc2c(=O)n1CCCn1ccnc1	0
CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C)C1	1
Cc1ccc(C2=NN[C@@]3(S2)C(=O)N(C)c2ccccc23)cc1	0
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CC[n+]1ccccc1	1
Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cccnc1	1
O=c1[nH]c2ccc(S(=O)(=O)NCC[NH+]3CCCCC3)cc2c2ccccc12	1
N#Cc1ccc(Br)o1	0
Cn1c(Cl)c[n+](C)c1[C@@H](O)c1ccccc1	1
COc1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)cs2)cc1	-1
NC(=[NH2+])NCc1nc(-c2ccccc2F)cs1	1
CC(=O)NNC(=O)c1ccccc1N	0
CC(=NNC(N)=[NH2+])c1ccc(N2CCN(c3ccc(C(C)=NNC(N)=[NH2+])cc3)CC2)cc1	2
CNc1nc(F)cc(F)n1	0
O=C(N[C@@H](c1ccccc1)n1nnc2ccccc21)c1ccccc1	0
Cc1cc(C)c(C#N)c(SCC(=O)c2ccc([O-])c(O)c2)n1	-1
C[N+]1(C)CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3	1
CCOC(=O)C[C@@H]1CC2=[N+](CCc3cc(OC)c(OC)cc32)C[C@@H]1CC	1
O=C(c1nc2ccccn2c1C[NH2+]CCCC[NH+]1CCCCCC1)N1CCOCC1	2
COc1ccc2c(c1)-c1c(ccc(OC)c1O)C[C@@H](CCc1ccccc1)[N@H+](C)CC2	1
O=C1NCN2CCC1CC2	0
CSc1nc(-c2ccco2)n[nH]1	0
C[NH+](C)Cc1ccncc1	1
CCOC(=O)N1CCC([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)C(=O)N3CC)CC1	2
Cn1c[n+](CCCC[n+]2cn(C)c3ccccc32)c2ccccc21	2
CNc1nc([C@@H]2CCC[NH2+]C2)nc2c1CN(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)CC2	2
CSC1=[NH+]C(C)(C)C[C@@](C)(c2ccc(O)cc2O)N1	1
O=C1C(Cl)=C(N2CCOCC2)C(=O)c2ccccc21	0
COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1	1
Cc1cc(Cl)c2c(N)c(C)cc(C)c2n1	0
COC[C@@H](C)[NH2+]CC(=O)Nc1ccc(Oc2ccc(NC(=O)C[NH2+][C@H](C)COC)cc2)cc1	2
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CC[N+](C)(C)C)O2	1
[NH3+]Cc1cc[n+]([O-])cc1	1
Cc1ccc(-c2ccc(=O)n(CC(=O)NCC[NH+](C)C)n2)cc1	1
C[NH+](C)CCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3	1
C[NH+](CCCO)CCCO	1
CN(C)C(=O)Oc1ccc(C[NH+](C)C)cc1Cl	1
O=C(OCC[NH+]1CCCCC1)c1ccc(O)cc1	1
O=C1CC[NH2+]CCN1	1
C/C=C(\C)C[NH+]1CCN(c2ccccc2)CC1	1
CC[N+](CC)(CC)CCO	1
CCN1C(=O)/C(=C/C=C2\CCC[N@H+]2C)N(c2ccccc2)C1=S	1
CNC(=O)Oc1ccccc1C(=O)Nc1ccccc1	0
C[C@@H](Cc1c[nH]c2ccc(Cl)cc12)/[NH+]=C/c1ccc(N(C)C)cc1	1
N[C@H]1CCCC[C@H]1[NH3+]	1
NC(=[NH2+])n1ncc2c1CCCC2=O	1
Nc1nc(Cl)cc(-c2ccccc2)n1	0
FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@@H+]2Cc2ccc3c(c2)CCO3)cc1	1
Cc1cc(S(=O)(=O)NCC[NH+](C)C)c(C)s1	1
CCOc1ccccc1OC[C@@H]1C[NH2+]CCO1	1
CC(C)CCNC(=O)C1CC[NH+](Cc2ccccc2O)CC1	1
Nc1ccc2nc(-c3cc(O)ccc3N)[nH]c2c1	0
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2)CC1	1
CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CC[NH2+]CC3)n2n1	1
CC(=O)ON1C(=O)c2cccc3c(Br)ccc(c23)C1=O	0
CC(C)[N@H+]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@H]2C1	1
C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C(=O)N2CC[NH2+]CC2)cc1	2
CCCn1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)c(C)n1	2
COC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1	0
C[C@@H]([NH3+])Cc1n[nH]c2ccc(Cl)cc12	1
CCC[N@H+]1CCC[C@@H]2c3c(O)cccc3CC[C@H]21	1
[NH3+]Cc1ccc(F)c(C(F)(F)F)c1	1
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1C	-1
Nc1cc(SCc2cccnc2)[nH+]c(N)n1	1
COc1ccc2[nH]c(C(=O)[O-])c(CCNC(C)=O)c2c1	-1
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	1
Cc1cccc(NS(C)(=O)=O)c1	0
CC[NH+](CC)CCCNc1nccc2c(C)c3[nH]c4cc[nH+]cc4c3cc12	2
CC(C)(C)NS(=O)(=O)c1ccc(F)cc1	0
CC[N@H+]1CC=C2[C@H](C1)[C@@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N	1
CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1	0
CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl	0
Cc1ccc2oc(=O)ccc2c1	0
CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1O	-1
Cc1cc(O)c(C(C)C)cc1Br	0
Cc1nnc(=O)[nH]c1N1CC[NH2+]CC1	1
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc3cc(Cl)ccc3n2)CC1	2
COC(=O)c1ccc(NC(=O)c2cc[n+](Cc3ccccc3)cc2)cc1	1
CN1CCC([N@@H+]2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)NC4CCCCC4)c(=O)n2C3)CC1	1
O=c1oc2ccccc2c(Cl)c1C[NH+]1CCCCC1	1
COC(=O)CSC1=NC(=O)/C(=C/c2ccc(C)cc2)S1	0
CC(C)COC(=O)c1ccc(NC(=O)CNCCC[NH+](C)C)cc1	1
Cc1ccc(-c2csc3ncn(CC(=O)OC(C)C)c(=O)c23)cc1	0
CC(C)(C)C1(O)CCS(=O)CC1	0
O=C(CCn1c(=O)oc2ccccc21)NCC[NH+]1CCCCC1	1
COc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1	1
[NH3+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1	1
Cc1cccc(C(=O)NCC(=O)[O-])c1	-1
C[C@@H]1C[N@@H+](C)[C@H](c2ccccc2)CC1=O	1
Cc1nc(N2CC[NH+](C)CC2)c2c3c(sc2n1)CCC3	1
C[NH+](C)C1CCC(NC2=CC(=O)C(NC3CCC([NH+](C)C)CC3)=CC2=O)CC1	2
C[NH+](C)CCc1c[nH]c2ccc(Cn3cncn3)cc12	1
Cc1cc(C(=O)C[NH+]2CCC(C)CC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	1
NC(=[NH2+])COCc1ccccc1	1
COC(=O)CC[NH2+]C(c1ccccc1)c1ccccc1	1
CC[NH2+]CC(=O)N(C)C	1
CC[n+]1c(C)cc2c([nH]c3ccccc32)c1C	1
[NH3+]Cc1ccc[n+]([O-])c1	1
C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2C[NH+]3CCC2CC3)c1	1
CN(C)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	-1
COc1ccc(O)c(C[N@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c1	2
Cn1c(N2CC[NH2+][C@@H](c3ccc(N4CC[C@H]([NH+]5CCCC5)C4)cc3)C2)nc(-c2ccncc2F)cc1=O	2
Cc1ccc(C(=O)Nc2nc3ccccc3c(=O)n2C)cc1	0
CC(C)[NH2+][C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O	1
COC1=C(C)C(=O)c2c(c(CO)c3n2CC[C@@H]3O)C1=O	0
c1cncc(N2C[C@@H]3C[NH2+]C[C@@H](C3)C2)c1	1
C[N@H+]1CCCN(C(=S)Nc2ccccc2)CC1	1
COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H](C#N)c2cccc3ccccc23)cc1	0
O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(O)cc1	0
CC(C)c1ccc(CNC(=O)c2ccccc2Cl)cc1	0
[NH3+]C[C@@H]1COCCO1	1
CC(=O)c1cc(C#N)c(C)nc1C	0
CCCC(=O)c1c[nH]c(C(=O)[O-])c1	-1
OCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1	1
O=C([O-])CCc1cccs1	-1
C[NH+](C)CCn1nc(Cc2ccccc2)c2ccccc2c1=O	1
O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCC1	1
O=C(C[NH+]1CCCCC1)NCCNC(=O)C[NH+]1CCCCC1	2
C[NH2+]C[C@@H](CC1CCCCC1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]CCc1ccc(Cl)c(Cl)c1	2
[NH3+]C1[C@H]2CC3C[C@@H]1CC(S)(C3)C2	1
Nc1ccccc1C(=O)OCC[C@@H]1CCCC[NH2+]1	1
COC(=O)c1ccc(NC(=S)N2CC[NH+](C)CC2)cc1	1
COc1c(Sc2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1	0
Cn1ncc2c(Nc3ccccc3Br)ncnc21	0
Cc1ccc(C(=O)O/N=C/c2ccc3c(c2)OCO3)cc1	0
CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)n1	1
c1ccc2c(c1)OC[C@H](C[NH+]1CCCCC1)O2	1
O=[N+]([O-])c1nccn1C[C@H](O)C[NH+]1CCCCC1	1
OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCC[NH2+]1	1
c1ccc2[nH]c(SCC[NH+]3CCCC3)nc2c1	1
Cc1cccc(Nc2cc[nH+]cc2S(=O)([O-])=NC(=O)NC(C)C)c1	0
C[N@H+]1CCC[C@@H]1CCNS(=O)(=O)c1ccc(Br)cc1	1
COc1cccc(OC)c1CN1CCC([NH3+])CC1	1
CCC[NH2+]CCC	1
COc1cc(OCC(=O)[O-])ccc1CO	-1
O=C(NCC1(C[NH+]2CCOCC2)CC1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1	2
COc1ccc2[nH+]c3cc(Cl)ccc3c(N[C@@H](C)CCC[NH+](C)C)c2n1	2
O=C(c1ccc(F)cc1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
C[NH+](C)C[C@@H](O)COc1ccccc1CCc1ccccc1	1
Cc1csc(NC(=O)/C=C/C(=O)[O-])n1	-1
Cc1ccc([C@@H](O)CN2C3=[NH+]CCCN3c3ccccc32)cc1	1
Cc1cccc(C)c1CNc1nccn2c(C)c(C)nc12	0
COc1ccc2c3c([nH]c2c1)C=[NH+]CC3	1
Cc1ccc2c(c1)c1c3n2CCN=C3CCC1	0
Nc1cc[nH+]cc1Oc1ccccc1	1
Nc1sc2c(c1C(=O)c1cccc(Cl)c1)CCCC2	0
COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1	2
CC(C)c1nnsc1C(=O)[O-]	-1
COc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1OC	1
O=C(CC[NH+]1CCCC1)Nc1c2c(cc3c1CCC3)CCC2	1
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O)C2=O	0
C/C(=C(/C)c1ccc(O)cc1)c1ccc(O)cc1	0
O=[N+]([O-])c1ccc2cccc(Cl)c2c1	0
Cn1cc(C2=C(c3c4n(c5ccccc35)CC[C@H](C[NH+](C)C)C4)C(=O)NC2=O)c2ccccc21	1
CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccccc1)[C@H](C)N2	1
O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@@H]21	0
Cc1cccn2cc(-c3cccs3)cc12	0
CC1(C)CC(NC(=O)c2ccccc2F)CC(C)(C)[NH2+]1	1
Cc1cc(C(=O)Nc2ccccc2)no1	0
Cc1ccc(-c2ccc(/C=N/n3cnnc3)o2)c(Br)c1	0
CCN(C(=O)c1cc(C)cc(OC[C@H](C)Nc2cc[nH+]cc2)c1)C(C)C	1
CC[C@@H]([NH3+])Cc1cc(OC)c(C)cc1OC	1
CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C	2
CCCCSC[C@H]([NH3+])CO	1
Nc1ccn(C2CC(CO)C2)c(=O)n1	0
c1ccc2oc(C3CC[NH2+]CC3)nc2c1	1
CC(C)(C)Nc1nc(NC(C)(C)C)[nH+]c(N2CCCCC2)n1	1
C[NH+](C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1	1
CC(=O)Nc1ccccc1Cl	0
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1	1
COc1ccc(C)c(C[NH+](C)C)c1	1
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(C)sc1C	0
O=C(CCCCCCC(=O)NCC[NH+]1CCCC1)NCC[NH+]1CCCC1	2
CC[C@@](CCCc1cc(OC)c(OC)c(OC)c1)(c1cccs1)[NH+](C)C	1
COc1ccc(/C=N/n2cnc3ccccc3c2=O)cc1OC	0
CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1	0
Cc1c(Cl)nc(N2CC[NH2+]CC2)nc1NC(C)C	1
O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)[O-])c1ccco1	-1
COc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1	0
CC(=O)N1CC[n+]2cc(-c3ccccc3)sc21	1
COc1cc2c(c(OC)c1OC)-c1ccc(N)c(=O)cc1[C@@H]([NH3+])CC2	1
C=CC[NH+](CC=C)C[C@@H](O)Cn1c2c(c3cc(C)ccc31)CCCC2	1
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccoc1	0
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CCCC(=O)[O-]	-1
CC[C@]1(C)C[C@@H]([C@@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)CCO1	1
NC(=[NH2+])Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CC(N)=[NH2+])cc3)cc2)cc1	2
O=C(COc1ccccc1)Nc1nc(-c2ccccc2Cl)cs1	0
CC(=O)Oc1cccc2ccc[n+](C)c12	1
CCC[S@](=O)c1ccc2nc(NC(=O)OC)[nH]c2c1	0
Clc1ccccc1CSC1=[NH+]CCCN1	1
CCN(CC)c1ccc2[nH]c3nc(=O)[nH]c-3cc2c1	0
CC(C)(C)[NH2+]CC(=O)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2	1
Clc1ccc2c(NCCCN3CC[NH+](C(c4ccccc4)(c4ccccc4)c4ccccc4)CC3)cc[nH+]c2c1	2
CCCC[NH+](CC#Cc1ccc(C#CC[NH+](CCCC)CCCC)cc1)CCCC	2
Cc1ccc(CSC2=[NH+]C[C@@H](C)N2)cc1	1
COc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1	0
COc1cccc(C[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+](C)C3)CC2)[N@@H+](C)Cc2ccccn2)c1	2
O=C(C[NH+]1CCCCC1)c1c[nH]c2ccccc12	1
[NH3+]C[C@H](CC(=O)[O-])c1ccc(Cl)cc1	0
Cn1c(=O)[nH]c(=O)c2c1ncn2CC[NH+](C)C	1
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)c1C	1
CC(C)[NH+]1CCN(C(=O)c2ccccc2)CC1	1
O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-]	0
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1	0
COc1ccccc1C=Nc1nnc[nH]1	0
Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[NH+](CC2CCCCC2)C1	2
CCOC(=O)c1c(Cl)c2ccccc2[nH]c1=O	0
C1CCC([NH2+]CCOCCOCC[NH2+]C2CCCCC2)CC1	2
COc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1	1
C[NH+](C)CCn1c(COc2ccccc2)nc2ccccc21	1
Oc1c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)ccc2cccnc12	1
C=CCC[N@H+](C)CC(=O)NC	1
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1	0
N#C/C(=C\c1ccccc1)C(=O)[O-]	-1
CN(C)C(=O)Oc1ccc(OCc2n(C)c3ccccc3[n+]2C)cc1	1
CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1ccccc1	0
Cc1nnc(Nc2ccc(OC(F)(F)Cl)cc2)c2ccccc12	0
CCC1=C(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@@H]2c3ccccc3CC[N@H+]2C1	2
C[NH+](C)CCCN(CCC[NH+](C)C)CC1=CC[C@@H]2C[C@H]1C2(C)C	2
C[C@@H]([NH3+])[C@@H]1COc2ccccc2O1	1
Cc1ccc(S(=O)(=O)N(CCCC[NH2+]CCCC[NH3+])Cc2c3ccccc3cc3ccccc23)cc1	2
COc1ccc(CC[NH3+])cc1OC1CCCC1	1
C[N+](C)(C)c1cnc(=O)[nH]c1	1
C=CSc1ccccc1N	0
O=CN1CCC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1	2
Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cn1	0
CC[NH+](CC)C[C@@H](O)COc1ccc(OC[C@H](O)C[NH+](CC)CC)cc1	2
CCN(CC)C(=O)C[N+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	2
c1ccc(COCC2(c3ccccc3)CC[NH2+]CC2)cc1	1
Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	0
Cc1ccccc1C[N@H+]1CCCC[C@@H]1CO	1
[NH3+][C@H](C(=O)[O-])c1ccccc1O	0
COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(OC)c1OC	1
N#Cc1ccccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1	0
O=C(c1cccc(F)c1)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1	1
CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)CC1	2
COc1ccn(C)c(=O)c1C(=O)[O-]	-1
CC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)cc2)nc1C	-1
NC1=[NH+]N2C(=NC(c3ccccc3)=C[C@@H]2c2ccccc2)N1	1
Cn1cc[n+](C)c1SC[C@@H](O)c1ccccc1	1
O=[N+]1C=C(NCC2CC2)Nc2ccc(Cl)cc2C1c1ccccc1	1
COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)cc1	1
Cc1ccc(S(=O)(=O)c2cn(C)c(=O)n2C)cc1	0
Cc1ccccc1NC(=S)N1CCCC[C@@H]1C	0
C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1	0
C[C@H]1C[C@H](C)C[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1	1
CCC(CC)[NH2+]CC(C)(C)O	1
C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1	2
O[C@@H](COc1ccccc1C[NH2+]Cc1ccccc1-n1cncn1)C[NH+]1CCSCC1	2
C/C(=N\NC(=O)C[n+]1ccccc1)c1sc(-c2nc(C)c(/C(C)=N/NC(=O)C[n+]3ccccc3)s2)nc1C	2
CCC[NH+]1CCC([N@@H+](C)CCc2ccc(OC)c(OC)c2)CC1	2
COC(=O)c1ccc(C[n+]2c(C)n(N)c3ccccc32)cc1	1
Cc1ccc2nsnc2c1NC(=O)c1cccc(Br)c1	0
CCc1c(C)[nH]c2nnc(-c3ccccc3OC)n2c1=O	0
CCOC(=O)c1c(C[NH2+]C(C)C)oc2ccc(OC)cc12	1
Nc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1	0
Cc1oc(C(N)=O)nc1-c1ccccc1	0
Cn1c2[n+](c3ccccc3c1=O)Cc1ccccc1-2	1
COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1	1
[NH3+][C@@H](CC(=O)[O-])c1cccn1-c1ccc([N+](=O)[O-])cc1	0
C[NH+](C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21	1
C(=[NH+]/CCCCCC/[NH+]=C/c1ccc(OCc2ccccc2)cc1)\c1ccc(OCc2ccccc2)cc1	2
N=C(NC(N)=[NH2+])S[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
C[NH+]1CCC(OC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)CC1	1
COc1ccc(C[N+]23CCN(CC2)CC3)cc1	1
CN1CCC([N@@H+](C)Cc2cc(Br)cs2)CC1	1
O=C1CCS(=O)(=O)c2ccc(F)cc21	0
CCOC(=O)[C@@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(OC2CCN(C(=[NH2+])CC)CC2)cc1	2
CS(=O)(=O)Cc1cc[n+](Cc2ccc(F)cc2)cc1	1
COC1CCC(OC)CC1	0
CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)OCC)CC1	1
CC(C)(C)NC(=O)c1cc(Cl)ccc1Cl	0
COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc2c1OCO2	1
[NH3+]CCc1c[nH]c2ccc(C3CCCCC3)cc12	1
O=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	0
CS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	0
C[C@@H](c1ccccc1)n1c[nH+]c2cc(N)ccc21	1
COc1ccc(C[NH2+]C2CCCCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1	2
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1	1
COC(=O)c1cc(=O)n2ccccc2c1C#N	0
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	0
[NH2+]=C1NC(O)=C[C@@H](C(=O)Nc2cccc3ccccc23)S1	1
O=C1C[C@H]([NH+]2CCSCC2)C(=O)N1CCc1ccccc1	1
N=C(NC(N)=[NH2+])Nc1c(Cl)cccc1Cl	1
OC[NH+]1CCCCC1	1
CC(=O)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	-1
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c4ccccc4c(Cl)c4ccccc34)CC2)cc1	1
C[N+](C)(C)Cc1ccc([N+](=O)[O-])cc1O	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
OC1(c2ccc(Br)cc2)CC[NH+](Cc2ccc(F)cc2)CC1	1
CC1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1	1
CC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)c(F)c1	0
COc1cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c1	1
O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccccc1	1
CCOC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1	1
Nc1c[nH+]ccc1NCC[NH+]1CCN(c2ccccc2)CC1	2
COc1cccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1OC	1
C=CC[N+](C)(CC=C)CC[N+](C)(CC=C)CC=C	2
CC(C)C[N@H+]1C[C@@H](COc2ccc3c(c2)CCC3)C[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1	2
Cn1c(-c2ccccc2)c[n+]2ccccc12	1
COc1ccccc1CC[NH2+][C@H]1CC(=O)N(c2ccc(C)cc2)C1=O	1
Oc1ccc2c(c1)ncn2-c1ccccc1	0
Cc1ccnc(S[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)n1	0
CC(=O)[C@@H](C)[NH2+]C(C)(C)C	1
NC(=O)C(CCN1CC[N@H+]2CCC[C@H]2C1)(c1ccccc1)c1ccccc1	1
CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH3+])cc2)CC1	1
Nc1c(Cl)cc(-c2nn(C3CC[NH+](CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2	1
C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cn2)cc1)C(=O)/C=C/c1ccccc1	2
C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1	2
O=C([O-])C=CC(=O)Nc1ccc2c[nH]nc2c1	-1
CCOc1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)cc1	0
CC(=O)c1cc(F)c(N2CCCC2)cc1C	0
O=C1CCCCc2sccc2N1	0
Cn1c2c(c3c1CC[N@H+](C)[C@@H]3c1cccnc1)[C@@H](c1cccnc1)[NH+](C)CC2	2
COc1ccc(CC[N@H+](Cc2ccc(OC(C)C)c(CO)c2)CC2CC[NH+](C)CC2)cc1	2
COc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c(OC[C@@H](O)C[NH+]2CCCC2)c1	2
CC(C)(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1	1
COc1ccc(/C=C/c2cccc[n+]2C)cc1C[NH+]1CCCC1	2
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](C[NH2+]CCCn3ccnc3)C(=O)O[C@@H]1C2	1
Cc1ccc([C@@H](O)c2cccnc2)o1	0
CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1	2
CC[NH+]1CCN(C(=O)CCC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)CC1	2
Cc1ccc([C@@H]2[C@H]3C[N@@H+](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	1
C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCC[N+](C)(C)C)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC	2
Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)c1	0
COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@H]2OC(=O)CN2CC[NH+](C)CC2)cc1	1
O=c1c2ccccc2nc2ccccn12	0
C1COCC[NH+](CCOCC[NH+]2CCOCCOCCOCC2)CCOCCO1	2
O=C(CC[n+]1cccc(/C=N/O)c1)NCc1ccccc1	1
CC[NH+]1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1	1
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[N@@H+]1CCC[C@H]1C3	1
Cc1ccccc1[N+](=O)Cc1cccs1	1
O=C([O-])c1cn2nc(Cl)ccc2n1	-1
Cc1ccc(NC(=O)CNC2=[NH+]C(C)(C)Cc3ccccc32)cc1	1
Cc1nc(-c2ccc(S(=O)(=O)NCC[NH+](C)C)s2)cs1	1
C[NH+]1CCN(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	1
CCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12	0
CC1(C)C[C@H](O)[C@@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1	1
C[C@@H](Oc1cncc(N2CC[NH2+]CC2)n1)c1cccc(F)c1	1
Cc1cc(C)[n+](C)c(=O)n1C	1
COc1ccccc1OCc1ccc(C(=O)NCC[NH+](C)C)o1	1
O=C1CCN(C(=O)c2cccs2)c2ccccc21	0
c1ccc(-n2cnc3cc(-c4ccc(OCC[NH+]5CCCCC5)cc4)cnc32)cc1	1
c1cc2c(cc1CCNC1=[NH+]CCN1)OCO2	1
[NH3+]Cc1ccc(F)cc1C(F)(F)F	1
Cc1ccc(-c2nnc(N3CCCCCC3)c3ccccc23)cc1	0
C[NH+](C)CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1	2
Cc1cc(C)cc(C(=O)NCc2ccncc2)c1	0
NNc1[nH+]nc(Cc2ccncc2)c2ccccc12	1
CC(C)(C)Nc1c(-c2c3ccccc3c(NCCCCCCCC[NH3+])c3ccccc23)[nH+]c2ccccn12	2
CC[C@]12CCC[N@H+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32	1
CCOc1ccccc1N1CC[NH+](C2CCN(C)CC2)CC1	1
Cc1n[nH]c(C)c1NC=O	0
CCn1cc([N+](=O)[O-])nc1C	0
C[N+](C)(C)CC1CC1	1
CC[n+]1ccc2c(O)cccc2c1	1
O=C([O-])CNS(=O)(=O)c1c(Cl)cccc1Cl	-1
C[NH+]1CCN(c2nc(N3CCN(CCO)CC3)nc3ccccc23)CC1	1
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCCCC2)on1)N1CCN(c2ccc(F)cc2)CC1	2
CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C3CCCC3)s2)C1)C1CC[NH+](C)CC1	2
[NH3+]Cc1ccccc1F	1
Cc1nnc([C@@H](C)[NH3+])o1	1
CO/N=C1\C(=O)N(C)c2ccccc21	0
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@@H](O)c2ccccc2)C1	1
C[NH+](C)Cc1ccccc1-c1cncnc1Nc1cc[nH+]cc1	2
[NH3+]CCNc1ccc(NCC[NH3+])c2c1C(=O)c1ccncc1C2=O	2
COc1ccccc1[C@@H](CC[NH3+])[C@@H]1CCOC(C)(C)C1	1
CN(c1ccc([N@@H+](C)C(C)(C)C)cc1)C(C)(C)C	1
Cc1ccc2[nH]cc(CC[NH3+])c2c1	1
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(C)O	0
CCOC(=O)N1CC[NH+](CCN2CCn3c2nc2ccccc23)CC1	1
CN(C)c1ccc(/C=C/C[N@@H+](CCO)Cc2ccccc2)cc1	1
COc1ccc(CC[C@@H]2[NH2+]CCn3cccc32)cc1OC	1
COC(=O)[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	2
C[NH+](C)CCN(Cc1ccsc1)c1ccccn1	1
C[C@@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccccc1	1
C[NH2+]C[C@@](C)(O)c1ccccc1	1
CC[NH+]1CCC(N(CCC[NH+]2CCC(C)CC2)C(=O)Nc2cc(Cl)ccc2Cl)CC1	2
C[C@H](OC[C@H](O)C[NH2+]CCC[NH+]1CCCCCC1)c1ccc(Cl)cc1	2
CCn1c(SCc2ccccn2)nc2ccccc2c1=O	0
CCCc1[nH+]c2ccc(Br)cn2c1NC(C)(C)C	1
Cc1cc(N2CC[NH+](C)CC2)ncn1	1
C[NH+](C)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccccc3)cc21	1
Cc1[nH]c2ccc(F)cc2c1SC1CC[NH2+]CC1	1
CC[n+]1cc(N)nc(-c2ccc(Br)cc2)n1	1
O[C@@H]1CSC2=[N+]1CCS2	1
Cc1ccsc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	0
O=C1NCCN2CCCC[C@@H]12	0
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OC)cc1OC	0
CC[n+]1ccc(C)c2cc([S@@](=O)C(F)(F)F)ccc21	1
C/C(=C\c1ccccc1)CN(CCC[NH+](C)C)CCC[NH+](C)C	2
COc1ccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3ccccc23)c(OC)c1	1
COc1cc(-c2cc(=O)c3ccccc3o2)ccc1O	0
C[NH+]1CCN(C(=O)Cn2ccc3ccccc3c2=O)CC1	1
C[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C)C	1
COc1cc(C=O)ccc1OCC(=O)[O-]	-1
CN(C)C(=O)N1CCC(C(=O)NCC[NH+]2CCCC2)CC1	1
CCC[C@@H](C)NC(=O)N1CCOCC1	0
CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc(C)c1	1
COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(N)=O	1
CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	1
CCC(=O)NCC[NH3+]	1
COc1ccccc1O[P@](C)(=O)Nc1ccc(Cl)c(Cl)c1	0
C[C@@]1(CC(=O)[O-])SC(=O)NC1=O	-1
Cc1oc(C(C)(C)C)c(CN2CCOCC2)c1C(=O)[O-]	-1
CC1(C)CC(NC(=O)c2cccc(F)c2)CC(C)(C)[NH2+]1	1
Cc1cc(Br)ccc1NS(C)(=O)=O	0
[O-][n+]1ccc(Br)cc1	0
C[NH+]1CCN(CC[NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1	2
CC(C)[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1	1
C[NH2+]CCc1ccc(O)cc1	1
CC[NH+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	1
c1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)OCO2	1
O=c1c2ccccc2nnn1CN1CCCCC1	0
Cc1ccc(NC(=S)[C@@H](C#N)c2nc3cccnc3n2C)cc1	0
CC[NH+]1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1	1
C[NH+](C)CCC[C@@H]1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O	1
C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1	1
O=C(C[n+]1cccc2ccccc21)c1ccc(-c2ccc(C(=O)C[n+]3cccc4ccccc43)cc2)cc1	2
CC[NH+](CC)CCC[NH2+]Cc1cccc(OC)c1	2
O=C1CSc2ccccc2N1	0
CSc1nc(-c2cc3ccccc3oc2=O)cn1-c1ccccc1	0
CC(C)(C)CC(=O)NCc1ccccn1	0
CC[NH+](CC)CC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C3)CC1	2
COc1ccccc1NC(=O)c1ccc[n+](C)c1	1
Br[C@@]12CCCC[C@@H]1C[NH2+]CC2	1
CCC[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1	1
CC[NH+](CC)c1ccc(Nc2cc(N(CCC[NH+](C)C)C(=O)Nc3c(C)cccc3Cl)ncn2)cc1	2
COc1cc(C[NH2+]C2CCC(O)CC2)cc(OC)c1O	1
Clc1ccc2nc(N3CC[NH2+]CC3)nc(-c3ccccc3)c2c1	1
Cc1[nH]c2c(C)c(C)c(C)c(C)c2[nH+]1	1
C[NH+](C)Cc1ccc(F)cc1Sc1cc(Cl)ccc1Cl	1
Cc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCC3)cc1	1
NC(=[NH2+])Cc1cccs1	1
CCOc1cc(=O)oc2cc(C)ccc12	0
CC(=O)n1c(=O)oc2cc([N+](=O)[O-])ccc21	0
COc1cccc2oc(-c3ccccc3)cc(=O)c12	0
COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cccn3-c3cccnc3)CC2)cc1	2
CCOC(=O)[C@@H]1CCCN(C2CC[NH+](CC)CC2)C1	1
COc1ccc(Cc2c[nH+]c(N)nc2N)cc1	1
C[N@H+]1CCC[C@@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1	1
c1ccc(COC(CN2CCCC2)C[NH+]2CCCC2)cc1	1
Fc1ccccc1N1CC[NH+](CCc2ccccc2)CC1	1
CC[NH+](CC)CCn1c(=[NH2+])n(CCOc2ccccc2)c2ccccc21	2
O=[N+](Cc1ccc(OC(F)F)cc1)c1ccccc1	1
Clc1ccc(N2C[C@@H]3CC[NH2+]C[C@@H]32)cn1	1
Cc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)c(C)c1	0
CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(C)cc2)S1	0
Cc1cccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)c1	0
NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1[NH3+]	1
NNc1cc(N2CCOCC2)nc(OCCc2ccccn2)[nH+]1	1
C[N+]12CCC(CC1)[C@@H](C(=O)c1cccs1)C2	1
O[C@H](c1ccccc1)C1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1	1
CCOC(=O)Cn1c2cccc3cccc(c32)[n+]2nc3c(cc12)c1cccc2cccc3c21	1
COc1ccccc1N1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1	1
CCC[N+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	2
COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl	0
[NH3+][C@H](C=O)Cc1ccccc1	1
COc1cc(CNc2[nH+]c3ccccc3n2C)cc(OC)c1OC	1
Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)CC2)o1	2
CN1CCC[NH+]=C1COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	1
Oc1ccc2c(c1)OC[C@H]([NH+]1CCC(O)(c3ccc(F)cc3)CC1)[C@@H]2O	1
C[NH2+]CCOCC1CC1	1
[NH3+]CCOCC1CC1	1
O=S1(=O)c2cccc3cccc(c23)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1	1
Oc1cccc2cccnc12	0
O=C(COc1ccccc1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1	0
C[NH2+][C@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1	1
C[NH2+][C@@]12CC=CC[C@H]1COc1ccccc12	1
Cc1ccccc1N1CC[NH2+]CC1	1
C[C@@H]1CCc2c(sc3[nH]cnc(=O)c23)C1	0
CC(=O)NC1CC(C)(C)N(OC(=O)c2ccco2)C(C)(C)C1	0
Oc1ccc(/C=N/n2cnnc2)cc1O	0
C[N+]12CCCC[C@@H]1[C@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2	1
CC[n+]1cccnc1N	1
Cc1ccc(C(=O)N[C@@H](Nc2cccc(C)c2)C(=O)c2ccccc2)cc1	0
CN(C(=O)CC[C@@H]1CCC[N@H+](C/C=C/c2ccco2)C1)C1CC[NH+](C)CC1	2
COc1cc(Cn2ccnc2)c(OC)cc1Cn1ccnc1	0
COc1cc(C)c([S@@](C)=O)cc1OC	0
C[NH+](C)CCC[N@@H+](C)C[C@@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O	2
CC(=O)N(C)[C@@H]1CC[NH2+]C1	1
C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1	1
CC[C@@]1(O)CC[N@H+]2CCc3ccc(C)cc3[C@@H]2C1	1
CC1=CC(=O)O[C@@]2(C1)C[C@H]1CC[C@@H]2C[N@@H+]1C	1
Cn1nc(C(=O)NCc2ccccc2)cc1C(=O)NCc1ccccc1	0
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCc2cccc([N+](=O)[O-])c2)c1	2
C[C@@H]1Nc2nc(NC(=O)c3ccc[n+](C)c3)[nH]c(=O)c2N(C(=O)c2ccc[n+](C)c2)[C@@H]1C	2
c1ccc(C(CC[NH2+]CC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c2ccccc2)cc1	2
COC(=O)/C=C/c1ccccc1OC[C@H](O)C[NH2+]C(C)C	1
C=C(C)C1=NC(C)(C)C[C@@H](C)O1	0
CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	-1
C=CCC1C(=O)NC(=S)N=C1[O-]	-1
CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(-c3cnn(C)c3)n2)CC1	2
C[NH+](C)[C@@H]1CCCCC1=O	1
C=CCc1cccc(OC)c1OCC[NH+](CC)CC	1
Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cnc(-c4ccccc4)s3)CC2)o1	2
CCCN1CCC([N@@H+](C)C2CCN(C)CC2)CC1	1
[NH3+]C[C@@H](c1ccccc1)c1ccc2c(c1)OCCO2	1
CCc1cc2c(C)cc(=O)oc2c(C[NH+](CC)CC)c1O	1
Oc1ccc(C[C@@H]2CC3CC[NH+]2CC3)cc1O	1
CCCC[NH2+]Cc1ccc(-c2nc(CN(Cc3ccc(Cl)c(Cl)c3)C(=O)C[NH+](C)C)cs2)cc1	2
O=C(Nc1ccc(C2=[NH+]CCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCCN3)cc2)nc1	2
O=C1N(c2ccc(Cl)c(Cl)c2)CCCN1[C@H](C[NH+]1CCCC1)c1ccccc1	1
Cc1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)cc1	-1
NC(=[NH2+])c1cc(Cl)nc(Cl)c1	1
CC(=O)Nc1ccc(F)c(C#N)c1	0
CC1(C)CC(N2CN(C3CCCCC3)CC2=O)CC(C)(C)[NH2+]1	1
C(=N/c1cccc2c(/N=C/c3cccs3)cccc12)\c1cccs1	0
C[C@@]1([NH3+])CCS(=O)(=O)C1	1
CC1=C(CC[C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C(C)(C)CCC1	2
CC[C@@H](c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)[O-]	-1
[NH3+]C12CC3(F)CC(F)(C1)CC(F)(C2)C3	1
O=[N+]([O-])c1ccc([C@@H]2N[N-]C(=S)S2)cc1	-1
O=C(OC1CCCCC1)c1ccc(NC(=O)C(F)(F)F)cc1	0
Cc1cc(C)[n+]2c(C)csc2n1	1
[NH3+]Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	2
CC[NH+](CC)CCS	1
CC(C)n1c(=O)n(Cc2nc3ccccc3n2CC[NH+](C)C)c2ccccc21	1
CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2=O)cc1	1
Cc1nc2ccc(C(=O)NCC[NH+](C)C)cc2nc1C	1
CC1(C)CC(NC(=O)CC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1	1
C[N+](C)(C)CCOc1ccc2nc(N)sc2c1	1
COc1ccc(C[NH2+][C@@H]2CCSC2)c(OC)c1	1
C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1	0
COc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccccc3)C2)cc1	1
C=C[C@H](O)C[NH+](C)C	1
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3cccs3)C2)c1	1
CC[NH+]1CCN(c2ccc(NC(=O)C(C)C)cc2Cl)CC1	1
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	-1
Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ncccn1	0
CCn1c(=N)c(C(=O)N2CC[NH+](C)CC2)cc2c(=O)n3cccc(C)c3nc21	1
CC[C@]1(c2cccs2)Oc2ccccc2-n2cccc2C1=O	0
Cc1cccc(C(=O)N2CCc3ccccc32)c1	0
CCCN(CCC)S(=O)(=O)c1ccc(NC(C)=O)cc1	0
N#Cc1ccc(Oc2ccc(N3C(=O)CCC3=O)cc2)cc1	0
COC(=O)c1cc(Br)c(=O)n(CC[NH+]2CCCCC2)c1	1
C[C@@H]1c2ccsc2Sc2ccccc2N1CCC[NH+](C)C	1
Cn1c[n+](N=Cc2ccco2)cn1	1
CC[C@@H](CC[NH3+])[NH+]1CCN(CC(=O)N(C)CC)CC1	2
O=c1onc2n1-c1cc(Br)ccc1OC2	0
C=C[C@H](O)C[NH2+]CCC	1
Cn1cncc1C[NH3+]	1
O[C@@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCCC1	1
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
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1	1
Cc1c(NC2=[NH+]CCN2)ccc2c1NCCO2	1
CC(C)[NH+]1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1	1
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCS(C)(=O)=O)CC1	2
Cc1cccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1	0
O=C1CN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)CCN1	2
O=c1[nH]ccc2ccsc12	0
CN(c1nc(-c2ccccc2)nc2ccccc12)C1CC[NH+](C)CC1	1
COc1cccc(-c2cn(-c3ccc(CC[NH+]4CCC(O)CC4)cc3)c3nc[nH+]c(N)c23)c1	2
CC[N@@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c(N(C)C)cccc12	2
C[NH+](C)CCCNc1c2ccccc2[nH+]c2ccc(F)cc12	2
Cc1cccc(C)c1NC(=O)COc1ccccc1OCC(C)C	0
COc1ccc(C2=C(C[NH+](C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1	1
O=c1sc2ccccc2n1C[C@@H](O)C[n+]1ccccc1	1
C[NH+]1CCN(C(N)=O)CC1	1
CN(C)C(=O)c1cccc(NC(=O)NCc2cccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)c2)c1	2
COc1cccc(NC(=O)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c1	1
CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccccc1C	0
Cn1c(-[n+]2ccccc2)c(C=O)n(-c2ccccc2)c1=O	1
COc1cc(C[NH3+])cc(OC)c1OC	1
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2	2
C[N+](=O)Cc1ccc(Br)cc1	1
Nc1nc(Cc2ccc(F)cc2)no1	0
Cn1nc(O[C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@@]2(C)O)ccc1=O	0
C=CCc1cccc(/C=N/c2nc3ccccc3n2CC[NH+]2CCCCC2)c1O	1
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N	0
Cc1nnsc1-c1onc(C)c1C(=O)NC(=O)Nc1ccccc1	0
Cc1nc(CC[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)sc1C	2
CO[C@@H]1C[C@@H]([NH3+])[C@@H](O)[C@@H](C)O1	1
O=c1[nH]cnc2c(Cc3ccccc3)c[nH]c12	0
CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@H+]4CCC[C@@H](OCc5ccccc5)C4)CC3)cc2)CC1	2
COc1ccc(C(=O)[C@@H](C[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1	2
C[NH+](C)CCCNCc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1	2
O=C([O-])CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	-1
Cc1cc2scc(C)[n+]2cc1C	1
CC(C)(C)NC(=O)c1ccc2nccnc2c1	0
C[NH+](C)[C@@H]1CCCCNC1=O	1
Cc1n(CCO)c2cc(Cl)c(Cl)cc2[n+]1CCO	1
Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc(Cl)cc1)C3=O	0
CC[NH+](CC)CCOC(=O)c1ccc(OC)cc1OCC[NH+](CC)CC	2
Clc1ccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)cc1	1
COc1ccc2c(ccc3[nH]c4c(C)c[nH+]c(NCCC[NH+](C)C)c4c32)c1	2
Cc1ccc2c(nc3s/c(=C\c4ccc(F)cc4F)c(=O)n32)c1C	0
CC[C@@H](C)C(=O)Nc1ccc(Cl)cc1	0
C[NH+]1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1	1
c1cnc2nccc[n+]2c1	1
Cc1ccccc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2	0
Cc1ccc(NC2=NC3(CCCC3)NC(=[NH2+])N2)cc1	1
OC[C@@H]1CCC[N@H+](C2CCCCCC2)C1	1
CC1(C)CC(NC(=S)Nc2ccccc2)CC(C)(C)[NH2+]1	1
O=C([O-])[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1	-1
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1	-1
C[NH+](C)CCCC(C)(C)Cl	1
CC[C@@H]1CSC(Nc2c(C)cccc2C)=N1	0
Cc1ccc(S(=O)(=O)C[C@H](c2ccccc2)[NH+]2CCCC2)cc1	1
CC[NH+](CC)CCOc1cc(C)ccc1C(C)C	1
C[n+]1ccc(C#N)c2ccccc21	1
CC(=O)Nc1ccc([C@@H]2NN=C(c3ccc(C(F)(F)F)cn3)N2)cc1	0
O=C1CNC(=S)N1CCc1cnc[nH]1	0
CCOc1cc(C[NH3+])c(-n2cccc2)cc1OCC	1
COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1OC	2
O=c1oc2ccccc2cc1C1=NO[C@@H](c2ccc3c(c2)OCO3)C1	0
CCOCC[NH2+]C	1
O=C(CN1CCC([NH+]2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@@H]2CCC[NH2+]C2)c2ccccc12	2
O[C@H](CO/N=C(\Cl)c1cccnc1)C[NH+]1CCCCC1	1
COc1cc(C[NH2+]CC(C)(C)CO)ccc1OC[C@@H](O)C[NH+]1CCSCC1	2
CC(C)(C)[C@H]([NH3+])Cn1ccnc1	1
CC[N+](C)(C)CCC#N	1
[NH2+]=C1SCCN1CC(=O)c1ccccc1	1
Cc1cc2c(=O)n(N)c(C)nc2s1	0
CC[NH+](CC)CCC[C@@H](C)Nc1cc(Cl)cc2nc3c4ccccc4n(CC[NH+]4CCCC4)c3cc12	2
COC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1[O-]	-1
COc1ccc(-n2c(C)c[nH]c2=O)cc1	0
O=C(NCc1ccc(-c2csnn2)cc1)Nc1ccc(Cl)cc1	0
N#CCS(=O)(=O)c1ccccc1F	0
CC[N@H+](CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C	1
C[NH+](C)CCNC(=O)c1ccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(F)(F)F)n2)cc1	2
CC(=O)c1nn(-c2ccc(F)cc2F)c(=O)[n-]c1=O	-1
C[N+]1(C/C=C/c2ccccc2)CC[N+](C)(Cc2ccc(C(F)(F)F)cc2)CC1	2
CC[NH+](CC)CCOc1ccc2ccccc2c1[C@@H](Cc1ccccc1)[NH2+]CCO	2
O=C(NCC[NH+]1CCCC1)c1cccc(F)c1	1
NNc1nc(N)c2c([nH+]1)-c1ccccc1CC21CCCC1	1
CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)[O-]	-1
O=C(Oc1ccc(C2SCCS2)cc1)c1ccc([N+](=O)[O-])cc1	0
Nc1cccc(-c2nc3cccc4cccc([nH]2)c43)c1	0
COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2c[nH]nc2-c2cc(C)ccc2C)CC1	2
Clc1ccc(-c2noc(CSC3=[NH+]CCN3)n2)cc1	1
Cn1c(SCC[NH+]2CCCCC2)nnc1-c1ccccc1	1
CSCC[NH3+]	1
COc1cc(C)[n+](C)c(C)c1	1
O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+]1CCCCC1	1
Cc1ccc(C)n1Nc1ccc(N2CCOCC2)nn1	0
C[C@@H]1C[C@H](NC(=O)/C=C/C(=O)[O-])CC(C)(C)C1	-1
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1	1
CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1	1
CCCCC[NH+](CCCCC)CCC(=[NH2+])NOC(=O)c1ccccc1	2
CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@@H]1[NH+](C)C	1
CCOC(=O)[C@@H]1CCCN(C(=O)N2CCOCC2)C1	0
CC(C)N1CC(=O)[O+]=N1	1
COc1ccccc1N1CC[NH+](C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1	1
O=C([O-])CC1=C(c2cccs2)CCC1=O	-1
CCOc1ccc(-c2cn(-c3ccc(OC)cc3)c3[n+]2-c2ccccc2CC3)cc1	1
CN(C(=O)Cc1cccc2occc12)[C@@H]1CC[C@]2(CCCO2)C[C@H]1[NH+]1CCCC1	1
CN1C[C@H](c2cccc(O)c2)O[C@H]1C(C)(C)C	0
O=c1c2ncn(CC[NH+]3CCCCC3)c2ncn1CN1CCCCC1	1
CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1	0
OC1(C#CBr)CCCCC1	0
C=CC[NH+](CC=C)C[C@@H](O)CN1c2ccccc2Sc2ccccc21	1
CCCN(c1cc[nH+]cc1)n1cccn1	1
Cc1cc(C)n(CCO)c(=O)n1	0
Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(F)cc1	1
CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3c(=O)c2)cc1	0
C1=C(c2ccsc2)C2CC[NH+]1CC2	1
CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1	2
Cc1cc(C)c2[nH+]c3c(c(N)c2c1)CCN3C	1
C[C@@H]([C@@H](O)c1ccccc1)[N+](C)(C)Cc1ccccc1	1
c1ccc(COc2ccnc(N3CC[NH2+]CC3)n2)cc1	1
Cc1cc(N2CCCC2=O)cc(C)c1CN1C(=O)c2ccccc2C1=O	0
OC[C@@H]1COCC[NH2+]1	1
Cc1ccc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1	1
CC(=O)Nc1ccc(N2CCN(CCC[NH+](C)C)CC2)cc1	1
C[C@@]12CC[NH2+][C@@]1(C)Nc1ccccc12	1
CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1	1
C[C@H]([NH3+])c1cnn(C)c1	1
COc1ccc(-[n+]2c(-c3ccc(C)cc3)cn3c2CCc2ccccc2-3)cc1	1
O=Cc1ccc(Br)cc1	0
C[NH+](C)CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12	1
CCOc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1	0
C[N@@H+](CCn1cccn1)Cc1cc2cc3c(cc2n(CC[NH+]2CCCCC2)c1=O)OCO3	2
[NH2+]=C1NCCN1c1ccccc1	1
NNc1[nH+]cnc2c1cnn2Cc1ccccc1	1
[NH2+]=c1ccn(C/C=C/C[n+]2ccc(/C=N/O)cc2)c2ccccc12	2
Cn1cnc2ccc([N+](=O)[O-])cc2c1=O	0
C[S@@](=O)Cc1ccccc1	0
C[C@@H](COC(=O)CCCCCCC(=O)OC[C@H](C)[N+](C)(C)C)[N+](C)(C)C	2
[NH3+]Cc1csc2ccc(Cl)cc12	1
CC(=O)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1	0
C[NH+](C)CCCc1cc(C(=O)Nc2ccc(-c3ccncc3)cc2)ccc1O	1
COc1ccnc(N2CCN(C(=O)c3sccc3F)CC2)n1	0
O=C([O-])CNC(=O)Nc1ccccc1	-1
C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccccc1Br	1
OCC[N@@H+](Cc1ccccc1)Cc1ccccc1Br	1
Cc1ccc(NC(=O)OCC[NH+](C)C)cc1NC(=O)OCC[NH+](C)C	2
C[NH+]1CCN(c2nnc3n2-c2cc(Cl)ccc2Sc2ccccc2-3)CC1	1
O=Cc1cc(C(F)(F)F)ccc1Cl	0
C[NH+](C)CCCN1C[C@@H](COc2ccccc2)O[C@@H]1c1ccccc1	1
C1CC1[NH2+][C@@H]1CC[C@H]2C[C@H]21	1
Nc1ncnc2c1ncn2CC[NH+]1CCCCC1	1
[NH3+]CCn1cccn1	1
COc1cc2[nH+]c(N3CCN(C(=O)C(C)(C)Oc4ccccc4)CC3)nc(N)c2cc1OC	1
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CC[NH3+]	1
CCCC[N@@H+](C)CC(=O)OC	1
NC1=NC[C@@]2(C[NH+]3CCC2CC3)O1	1
C[NH+](C)CCNC(=O)CN1C(=O)CSc2ccccc21	1
COC(=O)c1cc(N2CC[NH2+]CC2)nc2ccccc12	1
CC[NH+](CC)CCOc1cc2oc(=O)cc(C)c2cc1OCC[NH+](CC)CC	2
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CC(C)C)cc1OC	2
C(=C/c1ccco1)\C[N@H+](CC1CC[NH+](C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1	2
CS(=O)(=O)C=C([O-])c1ccccc1	-1
Cc1cn(CC(C)C)c(=O)[nH]c1=O	0
O[C@@H]1CCC[C@H]1[N@H+]1CCCOCC1	1
C=CCC1(CC=C)CCCC[N@@H+]1Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1	2
Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2c[nH]nc2-c2ccccc2)C1	2
c1ccc2c(c1)OC[C@@H](CSc1nc3ccccc3[nH]1)O2	0
COC(=O)c1c(NC(C)=O)csc1C	0
C[NH+]1CCN(c2cc(NCC[NH+]3CCCC3)c3c4c(onc24)-c2ccccc2C3=O)CC1	2
CCc1ccccc1N1CC[NH+](CCc2cc(OC)c(OC)c(OC)c2)CC1	1
C[NH+](C)CCOC(=O)C12CC3C[C@@](c4ccccc4)(C1)C[C@](c1ccccc1)(C3)C2	1
O=c1n(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12	1
CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1	1
CCOC(=O)C1=C(C[NH+](CC)CC)N(C)C(=O)N[C@@H]1c1ccccc1	1
O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Cl)cc1	0
[NH3+][C@H]1CCc2[nH]cnc2C1	1
CC(=O)c1cc(-c2ccc(Cl)cc2)oc1C	0
CC[NH+](CC)CCn1nc2c3ccccc3sc3c(C[NH3+])ccc1c32	2
Cc1cc(C)c2c(N)c(C3=[NH+]C(C)(C)Cc4ccccc43)sc2n1	1
CC[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc34)CC2)c2ccc(F)cc2)CC1	2
[NH3+]CC12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2	1
CC(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1	1
Cc1cc(C)n(C(=O)c2c([N+](=O)[O-])cnn2C)n1	0
Cc1cc(=O)oc2ccc(OC/C(=N/O)c3ccc(Cl)cc3)cc12	0
COC(=O)Cc1c[nH]c2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc12	1
C[NH+](C)CCc1ccc(O)cc1	1
Cc1cccc(NC(=O)/C=C/c2ccccc2)n1	0
CCOC(=O)CCc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)O2	0
O=C([O-])CC1(CC(=O)Nc2ccccc2-n2cccn2)CCCCC1	-1
Cc1cccc2cc(C=O)c(Cl)nc12	0
O=C(CN1N=C(c2ccccc2)CCC1=O)NCC[NH+]1CCCC1	1
COc1ccc(C[N@@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)c2cccnc12	2
C[NH2+]CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	2
CC[NH+](CC)C[C@@H](CC[C@H](C[NH+](CC)CC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1	2
CC(=NNC(=O)CCc1ccccc1)c1cccc(N)c1	0
COc1cc(OC)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC	1
CC(C)(C)OC(=O)N1CCC[C@@H]1CO	0
CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2	1
CC[NH+](CC)CCOc1ccccc1O/C(=C/c1ccccc1)C(C)=O	1
Cc1ccccc1OC[C@@H]1CN(C[NH+]2CCCCC2)C(=O)O1	1
Cn1c(=O)[nH]c2cc3nn[nH]c3cc21	0
O=c1[nH]c2ccccc2n2cccc12	0
CC(C)C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	-1
C[N+](C)(C)CCC[n+]1ccccc1CCc1cccc2ccccc12	2
CC(C)[NH2+][C@@H](C)C(=O)c1ccc(O)c(O)c1	1
C[NH+](C)CCn1c2c(c3ccccc31)CCCn1cnnc1-2	1
CCOC(=O)Cc1csc(NC(=O)COc2c(C)cccc2C)n1	0
Cc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)c(C)c1	0
NOC[C@H](F)C[NH3+]	1
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])C1(CO)CCC1	1
COc1ccc(CCNC(=O)c2cccc(Cl)c2)cc1OC	0
CCN1C[C@H]2C[N@@H+](C)C[C@@H](C1)C2OC(=O)c1ccc(Cl)cc1	1
C#CC[n+]1cccc2cc(O)ccc21	1
CC12OC3CC(CC(C3)O1)O2	0
C[N+](C)(C)C[C@@H]1CCCC1=O	1
C[N@H+]1CC[C@]2(OC(=O)c3ccc([N+](=O)[O-])cc3)CCCC[C@@H]2C1	1
Cc1cc[n+](CC(=O)CCc2ccc(C(=O)C[n+]3ccc(C)cc3)cc2)cc1	2
C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(S(C)(=O)=O)ccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	2
CCN1C=C(C(=O)OC)C(c2ccccc2Cl)C(C(=O)OC)=C1	0
CC[NH+](CC)CCC(=O)OC	1
O=C([O-])Cn1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2	-1
C[NH+]1CCN(c2ncc(C#N)c(N)n2)CC1	1
C#CCC1(OC(=O)CC)CC[NH+](CCc2ccccc2)CC1	1
O=C1CCCC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3Cl)C12	0
Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(O)c1C	0
CC1(C)SC(=[NH2+])NC2=CC(=O)CC21	1
CCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C	0
CC[NH+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1	2
C[N@@H+]1C=CC[C@H](C=O)C1	1
C[C@@H](c1cccc(C(=O)c2ccccc2)c1)c1cc(N)on1	0
CC(=O)c1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1	0
COc1cc(NCc2ccc3[nH+]c(N)nc(N)c3c2C)cc(OC)c1OC	1
CONC(=O)Nc1ccccc1	0
C[N@H+]1[C@H]2CC[C@@H]1C=C(N(C(=O)c1ccc(Cl)cc1)c1ccccc1)C2	1
O=C(Nc1ccccc1Cl)c1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	1
[NH3+]CCn1ccnc1	1
c1ccc(C[NH+]2CCC3(CCc4ccccc43)CC2)nc1	1
C[C@@H]([NH3+])[C@@H](C)CON	1
C[NH2+]C1CCOCC1	1
C[N@H+]1CCC[C@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1	1
Cn1c(-c2ccc(Cl)cc2Cl)[n+](C)c2ccccc21	1
CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1	1
CNc1ncnc2cc(C3=NNC(=O)C[C@@H]3C)ccc12	0
CC(C)NC(=[NH2+])CCn1cnc2c1c(=O)n(C)c(=O)n2C	1
COCc1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1OC	2
CCn1c(NCC[NH+](CC)CC)nc2c1c(=O)n(C)c(=O)n2C	1
[NH2+]=C(Nc1ccccc1)SCCCSC(=[NH2+])Nc1ccccc1	2
O=C(OCC[NH+]1CCCCC1)c1cccc(Br)c1	1
O=C(NCc1cccs1)c1ccccc1NC(=O)C(F)(F)F	0
C[NH+](C)CCCN1c2ccccc2CCc2ccc(C#N)cc21	1
O[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C[NH+]1CCCCC1	1
FC(F)(F)c1cc(NCC[C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1	1
CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C	0
Cc1oc(C)c(C(=O)[O-])c1C[NH3+]	0
COc1ccc(C(=O)CC[NH+]2CCCCC2)cc1	1
Cc1nc2ccccc2cc1C(N)=O	0
O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CC[NH+]1CCCCC1	1
CC[NH+](CC)CC[C@@H](C)O	1
CCc1ccccc1N1C(=O)C[C@H](Sc2nc(C)cc(C)n2)C1=O	0
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1O	0
CC[N+](CC)(CCO)CCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	1
COc1ccc(N2CCCC2=O)cc1	0
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCCN3CC[NH+](C)CC3)cc12	2
Cc1c(C(=O)OCC[NH+](C)C)oc2ccccc12	1
CCc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	0
COc1ccc(/C=[NH+]/CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	2
C[NH+](C)Cc1c(O)ccc2occ([C@@H](O)c3ccccc3)c12	1
CCC[NH2+]C[C@@H](C)O	1
C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1	1
C[NH2+]Cc1ccc(N(C)C)cc1	1
CCCc1nc(-c2ccccn2)c(-c2ccccc2C)s1	0
Cc1cc[n+](CCON2C(=O)c3ccccc3C2=O)cc1	1
O=C(c1cccc([N+](=O)[O-])c1)n1cc(Cl)cn1	0
CC(C)n1c(=O)[n+](C)c(-c2ccccc2)c2cc3c(cc21)OCO3	1
O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Br)cc2nc[nH]c12	1
COc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
C/C(=C\C(=O)NCc1ccccc1)C(=O)[O-]	-1
COc1ccc([C@@H]2N(O)C(C)(C)C(c3ccccc3)[N+]2=O)cc1	1
O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	0
O=C(C[NH2+]C1CCCCC1)N1c2ccccc2C=Cc2ccccc21	1
Cc1cccc(C)c1NC(=O)[C@@H](C)[NH3+]	1
CSc1ccccc1OC[C@H](O)C[NH2+]C(C)C	1
CC(=O)c1ccc(N2CC[NH+](CCC3=C(C)CCCC3(C)C)CC2)cc1	1
Cc1cccc(OCC(=O)Nc2ccc(Br)cn2)c1C	0
CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2	2
CC[NH+](CC)C[C@H]1OC1(C)C	1
COc1ccc(C2=[N+]3CCCCN3[C@@](O)(c3ccc(OC)cc3)C2)cc1	1
Nc1cc(N)[nH+]c(SCc2ccc(Cl)cc2Cl)n1	1
COCc1cc(=O)oc2cc(OC(C)=O)c(Cl)cc12	0
C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)C[N+]#N	2
O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	2
Oc1ccc2c(C[NH2+]C3CCCCC3)c(O)ccc2c1C[NH2+]C1CCCCC1	2
C=C(C)Cn1c(N2CC[NH+](CC)CC2)nc2c1c(=O)[nH]c(=O)n2C	1
CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH+]3CCCC3)C2=O)cc1	1
Cc1sc(=[N+]2CCCCC2)sc1C	1
CC1=CC(C)(C)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	0
CN(C)C(=O)N1CC[NH2+]CC1	1
Cn1nccc1NC(=O)NC(=O)c1c(F)cccc1F	0
Cn1c([C@@H](O)c2ccccc2)[n+](C)c2ccccc21	1
Cn1c(N)[nH+]c2ccccc21	1
Cc1ccc[nH+]c1NC[C@@H](O)COc1ccccc1	1
C=C(C)CN(CC)C(=O)C1CC[NH+](Cc2ccc(O)c(OCC)c2)CC1	1
N#Cc1c(F)cccc1N1CCOCC1	0
O=C(c1cn(C[NH+]2CCCC2)c2ccccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	2
COc1ccccc1C(=O)N1CC[NH+](C(C)C)CC1	1
C/C(=C/c1ccc(C)cc1)[N+](=O)[O-]	0
COc1ccc(OC(=O)N(C)CC[NH+](C)C)cc1	1
CCOc1ccc2c(c1)Sc1ccccc1N2CC[NH+](CC)CC	1
Cc1c([N+](=O)[O-])ccc2nsnc12	0
CC[NH+](CC)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	2
NC(=[NH2+])c1cccc(N[C@H](C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2)c1	1
O=C([O-])c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1	-1
CCOC(=O)COc1ccc2c(C)c(CC[NH+](CC)CC)c(=O)oc2c1Cl	1
Nc1nsc(-c2ccccc2)n1	0
CCOc1ccc2[nH+]c(C)cc(Nc3ccc(OC)cc3)c2c1	1
C[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H](C)O1	1
CC[NH+]1CCC2(CC1)NC(CO)(CO)CO2	1
C[NH+](C)Cc1cc(OCc2ccccc2)cc(C[NH+](C)C)c1O	2
C[NH+]1CCN(c2nc(-c3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)CC1	1
c1cc(-c2cc[n+](Cc3ccc(C[n+]4ccc(-c5ccncc5)cc4)cc3)cc2)ccn1	2
Cc1nc(C(N)=[NH2+])cs1	1
CCC(=O)NC[NH+](C)C	1
c1cc2c(c(NC3=[NH+]CCN3)c1)CCC2	1
C1=CSC(=C2SC=CS2)S1	0
COc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1	0
C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)CCC[NH+]2CCCCC2)nc2ccccc12	2
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(-c2ccc(C)s2)n[nH]1	2
COc1cc(N)ccc1NC(=O)c1cccs1	0
O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1	0
CN1CCCCC/C1=[NH+]\CCn1cnc2c1c(=O)n(C)c(=O)n2C	1
Cc1ccc(/C=C(\C#N)C(N)=O)o1	0
CCOC(=O)n1cc(F)c(=O)[nH]c1=O	0
c1cc[n+](-c2ccncc2)cc1	1
C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC1)C2=O	2
CCc1cc2nc(C)cc(C)n2[o+]1	1
CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(C[NH+]3CCCC3)s2)CC1	2
O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1ccc(Cl)cc1	-1
C=CC[NH+](CCO)CCO	1
O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)c(C(F)(F)F)c1	0
CC(=O)Nc1ccc(-c2c[n+]3cc(Sc4ccccc4)ccc3n2C)cc1	1
Cc1ccc(S(=O)(=O)Nc2ccc(-c3c[n+]4ccccc4n3C)cc2)cc1	1
C[NH2+][C@@H](C)[C@@H](O)c1ccccc1	1
O=C(Oc1ccc(Cl)cc1)c1ccccc1	0
Cc1ccc2c(c1)c(=O)c1c3n2CC[NH2+][C@@H]3CC1	1
COc1ccc(-n2cccc2/C=C2/NC(=O)[N-]C2=O)cc1	-1
OCCN1CC[NH+]([C@@H]2CC[C@@H]3CC[C@H]2c2ccccc23)CC1	1
Cc1ccc(N(CC2=[NH+]CCN2)c2cccc(O)c2)cc1	1
CC(C)C[N@@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1	2
CC[C@@H]1CSC2=[N+](c3ccccc3)[C@@](O)(c3ccc(OC)cc3)CN21	1
CC(=O)NCC[N+](C)(C)C	1
Cc1ccc2nonc2c1[N+](=O)[O-]	0
Cc1cc(NC(=O)CC(C)(C)C)no1	0
C[C@H](O)CSCC[NH3+]	1
Cc1nc(-c2ccccn2)n2nnnc2c1Cl	0
Cc1cc(NC(=O)CC[NH+]2CCCCC2)no1	1
C[C@@H](C[N+](C)(C)C)OC(=O)C(c1ccccc1)c1ccccc1	1
CC(=O)Nc1ccc2n(C)cc[n+]2c1	1
C=CC(=O)NCC[NH3+]	1
CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1	-1
O=c1c2ccccc2nc2ccc(Cl)nn12	0
Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+]2CCO)c(C)c1	1
OCC[N+]1(Cc2ccccc2)CCC(C2CC[N+](CCO)(Cc3ccccc3)CC2)CC1	2
COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1	2
CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)s1	0
OC1(CCCc2ccc(-c3nn[nH]n3)cc2)CC[NH+](C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1	2
OCC[NH+](CCO)C[C@@H](O)C12CC3CC(CC(C3)C1)C2	1
CC1=C(NC(=S)NC(=O)c2ccccc2)[NH2+]Cc2ccccc21	1
Cc1cc(Cl)c(N2CC[NH2+]CC2)cc1S(C)(=O)=O	1
CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COCc1ccccc1	1
O=C1OCCN1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1	2
CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C1	1
C=CC[n+]1ncn(C(C)(C)C)n1	1
C=Cn1n[n+](C(C)(C)C)nc1C	1
C[C@H]1CN([C@H](C)C#N)C[C@@H](C)[NH2+]1	1
Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1	1
Cc1cc(Nc2ccc3c(c2)OCCO3)c2ccc(Cl)cc2[nH+]1	1
C[NH2+][C@@H](C)[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	1
O=c1[nH]c2ccccc2n1C1CC[NH2+]CC1	1
Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCC(Cc2ccccc2)CC1	1
Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCCC3)CC2)cc1	1
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1COc2ccccc2O1	0
COc1c(Cl)cnc(Cl)c1C(N)=O	0
CC(=O)NC[NH+](C)C	1
Cc1cccc(NC(=O)c2ccccc2Cl)n1	0
Nc1[nH+]c(-c2ccccc2)cn1N	1
Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccc(C[NH2+]CCc4cc5ccccc5[nH]4)cc3)c2cc1Cl	2
COc1cc(C[NH+]2CCSCC2)cc(OC)c1O	1
Nc1nc(-c2ccccc2)cn1/N=C/c1cccc([N+](=O)[O-])c1	0
OC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cs1	1
CN(C)c1nc2ccc(OCC[NH+]3CCCCC3)cc2s1	1
NC(=O)c1cccc2ccccc12	0
CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)Cn3cc[nH+]c3C(C)C)C1)C2=O	2
CCOC(=O)c1c(Nc2ccccc2N)cc(C)[nH+]c1C	1
[NH3+]C[C@H](O)C(F)(F)F	1
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CC[N+](C)(C)Cc1ccccc1)C2	1
CCNC(=S)NN1CCOCC1	0
[O-]c1c(C[NH2+]Cc2ccccc2)cc(C[NH2+]Cc2ccccc2)c(O)c1C[NH2+]Cc1ccccc1	2
FC(F)(F)c1ccnc(N2CCC(NC(=S)NC3CC3)CC2)n1	0
Oc1c(Br)cc(CN2CCOCC2)c2cccnc12	0
CC(C)C(=O)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1	0
O=C(N1CCOCC1)[n+]1ccc(/C=C/c2ccc(Cl)cc2)cc1	1
C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[NH+](CC)CC2)c1	1
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C	0
CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)cc2)CC1	2
CC[C@@H](C)[C@@H]([NH3+])CO	1
c1ccc(CCc2nnc(-n3cccc3)s2)cc1	0
CC[NH+](CC)CCC[C@@H](Nc1c2ccccc2[nH+]c2ccccc12)c1ccccc1	2
Cc1ccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)cc1	1
NNc1cccc[nH+]1	1
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3C[NH+](C)C)c(=O)n1C2	2
CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1	1
CCN(CC)C(=O)c1cccnc1	0
CCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc12	1
Cc1ccc(C=C2SC(Nc3cccc(C)c3C)=NC2=O)o1	0
NC(=[NH2+])c1ccc(-c2ccccc2[N+](=O)[O-])o1	1
C[NH+](C)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	1
CN(Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1)Cc1nccs1	1
Cn1cc2c(n1)CC[NH2+]C2	1
CN1CCN(c2ccc(C[NH3+])cc2)CC1	1
C[NH+]1CCC([NH2+][C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]23CCC(=O)N2CCOCC2)CC1	2
CC(C)Cc1ccc(OCCC[NH2+]CCC[NH3+])cc1	2
CN(C)c1ccc(C(=C2C[NH+]3CCC2CC3)c2ccc(N(C)C)cc2)cc1	1
N#C[N-]S(=O)(=O)c1ccccc1	-1
CCOC(=O)c1[nH]c(C)c(-c2csc(NC(=O)C3CC3)n2)c1C	0
CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1	1
C[N+](C)(C)C[C@@H](O)COc1ccc(Cl)cc1Cl	1
O=C(Cn1nnc2ccccc21)NCC[NH+]1CCCC1	1
CC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@H+](C(C)(C)C)C1	1
Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1F)C1CC[NH+](CCC(C)C)CC1	2
CC[NH+](CC)CCCNc1[nH+]c2ccccc2c2[nH]c3ccc(OC)cc3c12	2
O=C(CSc1ccccn1)Nc1ccc(F)cc1	0
COc1ccccc1[C@@H](O)Cc1cc[n+](C)cc1	1
NC(=O)CSc1nc2ccccc2n1C(=O)Oc1ccccc1	0
Cc1ccc(-c2nc(NC(=O)c3cccs3)sc2C)cc1Cl	0
Cc1ccc(C)n1-c1cc[nH+]cc1	1
C[NH+]1CCN(c2ncnc3c2cnn3Cc2ccccc2)CC1	1
Cc1cc(Cl)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	0
CN(c1ccccc1)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)c5ccccc5)cc4)c3)c2)cc1	2
O=S(=O)(c1ccccc1)N(C1CC[NH2+]CC1)C1CC1	1
C[NH+](C)CCNc1ncnc2c1cnn2-c1ccccc1	1
CC[NH+]1CCC2(CC1)C[C@@H]1C[C@H]3C=C[C@]1(CN2C(C)=O)O3	1
CCc1c(C)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1C	0
CC(=O)c1ccc(N2C(=O)C=CC2=O)cc1	0
Cc1cc(C)c(NC(=O)[C@@H]2CCCN2CCC[NH+](C)C)c(C)c1	1
CCOC(=O)[C@@H]1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1	0
C[N+](C)(C)CCCCCCCCC[N+](C)(C)C	2
O=c1cccc(-c2ccc(O)cc2)o1	0
CC[NH+]1CCN(C(=O)Cn2c3c(c4ccccc42)C[N@H+](C(C)C)CC3)CC1	2
CC(=O)Nc1cc([N+](=O)[O-])ccc1C	0
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCCNC3=O)CC2)CC1	2
Cc1cc(C)nc(NC(=N)N2CCCc3ccccc32)n1	0
C[NH+](C)CCNC(=O)N1CCN(c2ccccc2Cl)CC1	1
O=C(c1ccccc1)N1CCC(c2cnc[nH]2)CC1	0
CS(=O)(=O)C=C([O-])c1ccccn1	-1
COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]1CO	1
Cc1cccc[n+]1[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(C(=C=[NH2+])C#N)N[C@@]1(O)C1CC1	2
CC1(C)[C@@H]2CC=C(C[NH+]3CCC(O)CC3)[C@H]1C2	1
N#Cc1cccc2cnccc12	0
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1	-1
CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@@H+](C)CCc1ccccn1	1
C=C1N(c2ccccc2)C(=O)OC1(C)C	0
Cc1nn(C)cc1C[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1	2
Cc1nn2cc[nH]c2c1-c1ccccc1	0
O=C(c1ccccc1)[C@@H]1C[NH+]2CCC1CC2	1
Cc1occc1C(=O)Nc1ccc(Br)cn1	0
Nc1c(C(=O)C2CC2)oc2ccccc12	0
COc1ccc2ccc3cccc[n+]3c2c1	1
[NH2+]=C1N[C@H](c2ccccc2)Nc2ccccc21	1
CC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1	0
Nc1ncc(Br)c(N2CCOCC2)n1	0
COc1ccc(Br)cc1C[NH2+]C1CCCCCC1	1
O=[N+]([O-])c1c[nH]nc1-c1cnn(-c2ccccc2)c1	0
COc1cc(OC)cc(C(=O)Nc2ccc(F)c(F)c2)c1	0
CCOC(=O)[C@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1	2
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1F	0
O=C1[N-]C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)N1	-1
CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1	0
O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)cc1	0
C[N@H+]1CCc2oc3ccc(N)cc3c2C1	1
COc1ccc(C[N@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC	2
Cc1cccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)c1	1
O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1	1
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1OC	1
c1ccc(-n2nnnc2SCC[NH+]2CCCCC2)cc1	1
C[NH+]1C(C)(C)CC(=NOC(=O)c2ccccc2)CC1(C)C	1
Cc1ccsc1C[NH3+]	1
CC(C)CC(=O)c1ccc[n+](COC[n+]2ccccc2C/C=N/O)c1	2
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCC2)cc1	1
CC(C)[NH2+]CCCN(C)C	1
CC(C)(C)CC(C)(C)C(=O)OCCC[N+]1(C)CC[N+](C)(C)CC1	2
CC[NH+](CC)CCN(CC[NH+](CC)CC)c1ccccc1	2
C[NH+](C)CCn1c2ccccc2n2cc(C(C)(C)C)nc12	1
CC1(C)C=C(CC(=O)[O-])CC(C)(C)[NH2+]1	0
COc1ccc(/C=C/C(=O)C2CC2)cc1COc1c(C)cccc1C	0
COC(=O)C12CCC(CC1)[NH2+]2	1
Cc1cc(C)c(C[NH3+])c(=O)[nH]1	1
COc1ccc(Nc2ncnc3[nH]cnc23)cc1	0
COCc1cc(C)nc2sc(C(=O)Nc3ccccc3)c(N)c12	0
CC1(C)CC(O)(C(=O)[O-])CC(C)(C)[NH2+]1	0
COc1ccc([C@@]2(O)CN3CCSCC3=[N+]2c2ccc(C)cc2)cc1	1
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1	0
Cc1ccc(-c2nc(N3CC[NH+](C)CC3)c3ccccc3n2)cc1	1
CC(C)NC(=[NH2+])c1ccc(OCc2ccc(COc3ccc(C(=[NH2+])NC(C)C)cc3)c3ccccc23)cc1	2
CCOC(=O)c1c(C)csc1NC(=O)C(Cl)(Cl)Cl	0
CCOC(=O)N1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1	1
COc1ccc(CC[NH+]2CCN(c3ccc(C)c(C)c3)CC2)cc1OC	1
CN(c1ncnc2sc3c(c12)CCCC3)C1CC[NH+](C)CC1	1
O=C(C[NH+](CCO)CCO)N(C1CCCCC1)C1CCCCC1	1
CC[C@@]1(C)C[C@@](CC[NH3+])(c2ccccc2OC)CCO1	1
CC(=O)Oc1ccccc1OCc1nn(C(C)=O)c2ccccc12	0
Nc1ccccc1-c1n[nH]c(=O)[n-]c1=O	-1
CCC[N@@H+](CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2	2
Cn1c(-c2ccccc2)[n+](C)c2ccccc21	1
CC[N+](CC)(CC)CCOCC[N+](CC)(CC)CC	2
CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]CCCOC(C)C)CC3)cc2)CC1	2
CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	0
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCCCC2)c1	1
CC[N@@H+](CCO)Cc1csc2ccc(I)cc12	1
CCc1ccc2[nH]c(C(=O)NCC[NH+]3CCCCC3)cc2c1	1
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+](C)C	1
CCC[NH+]1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1	1
O=C(c1nc2ccccn2c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1	2
C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1	1
CCCc1c([O-])nc2ccccn2c1=O	-1
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Br)cs1	2
FC(F)(F)c1cnc(C[n+]2ccccc2)c(Cl)c1	1
O=C(NCCC[NH+]1CCC([NH+]2CCCCC2)CC1)c1cccn1-c1nnc(N2CCCC2)s1	2
Cc1cc(C(=O)NC2C[C@@H]3CCC[C@H](C2)[N@H+]3C)nn1-c1ccccc1	1
CC(C)(C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1	0
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1	0
CN(C(=O)C[NH+]1CCCCC1)C(C)(C)C(=O)c1ccccc1Cl	1
Nc1cccc(/C=C/C(=O)[O-])c1	-1
C=CC[C@@H]([NH2+]Cc1ccco1)c1ccc(OC)cc1OC	1
COc1ccc(Nc2nc(N)nc(C[N@@H+](C)C3CCCCC3)n2)cc1	1
O=C(C[C@@H](SCc1ccco1)c1ccc(Cl)cc1)c1ccco1	0
Nc1ccccc1N1CCCCC1	0
CC[NH+](CC)CCC[NH2+]Cc1ccc(OC(C)C)c(OC)c1	2
C1CC[NH+](C2CCN(C3CCCC3)CC2)CC1	1
Cc1cc(C[NH+]2CCCC2)cc(C)c1O	1
Cc1c(-c2cccs2)nn2cc[nH]c12	0
C[NH+]1CCN(c2cc(C(F)(F)F)nc3ccc(F)cc23)CC1	1
COC(=O)c1ccc(NC(=O)C(C)C)cc1	0
O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1	1
Cc1ccc(S(=O)(=O)c2ccccc2)cc1[S-]	-1
CCC[NH+](CCC)[C@H]1Cc2c[nH]c3ccc(OC)c(c23)C1	1
Cc1ccc(C(=O)c2ccccc2Cl)c(O)c1	0
CC1(C)[NH2+]CCNC1=O	1
COc1ccc([C@@H](C(=O)OCC[NH+](C)C)c2ccccc2)cc1	1
COc1cc(NC(=S)N2CC[NH+](C)CC2)cc(OC)c1	1
O=c1c2ccccc2ncn1CC[n+]1ccccc1	1
CC[NH+](CC)CCOc1ccc2c(c1)C(=NNC(=O)c1ccccn1)c1cc(OCC[NH+](CC)CC)ccc1-2	2
C[NH+](C)C[C@@H](O)CO	1
c1cnc([C@@H]2CC[NH2+]C2)cn1	1
COc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1cccc(C)c1	0
C[C@]12CN(Cc3ccccc3Br)C[C@](C)(C[N@H+](Cc3ccccc3)C1)C2	1
C[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl	1
COc1nc2ccccc2n1C	0
COc1cccc(NC(=O)NC[C@@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1	2
CC[C@@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(F)cc2)N1O	1
C[n+]1ccccc1C(N)=O	1
CC1=C[C@@](O)(C(F)(F)F)N(c2nc3ccccc3s2)[NH2+]1	1
N#CC1=C(N)N(c2ccccc2)NC1(C(F)(F)F)C(F)(F)F	0
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)c(C)c1C	-1
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1	0
CN(C)c1ccc(C(=S)N2CCOCC2)cc1Br	0
COc1ccc([C@@](C#N)(CCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)C(C)C)cc1OC	1
CC1(C)Cc2c(sc(/N=C/N3CCCCC3)c2C#N)C(C)(C)[NH2+]1	1
Cc1ccn2c(C[N@@H+](C)CCCC[NH+]3CCOCC3)c(C(=O)N3CCCCCC3)nc2c1	2
Cc1ccc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1	1
C=C1OC(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2	1
CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1	2
C[N+](C)(CCOc1ccccc1)Cc1ccccc1	1
CC(=O)N1CCC(Cc2ccccc2)CC1	0
C[N+](=O)Cc1ccc[nH]1	1
Cc1cc(C(=O)NCC[NH+]2CCCCC2)no1	1
CCCC[C@@H](CC)C[NH2+]Cc1cccn1CC[NH+]1CCOCC1	2
COc1ccc2c(c1)c(C(=O)C[NH+](C)C)c(C)n2C	1
CNC(=O)c1n[n-]sc1=NC(=O)OC	-1
c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@@H]1COc2ccccc2O1	1
COC(=O)c1ccc(NN)cc1	0
COc1ccc(-n2ccnc2C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1	2
CN(C(=O)c1ccc(N)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
C/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	1
C[C@@H]1CC(=O)c2cc(Cl)ccc2S1	0
CC[NH+](CC)CCOC(=O)CCC(=O)OCC[NH+](CC)CC	2
CC[NH+](CC)CCNC(=O)c1c(C)oc2cc3c(C(=O)NCC[NH+](CC)CC)c(C)oc3cc12	2
Cc1ccc(C)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c1	2
CC[NH+](CC)CCC[C@@H](C)[NH+]=C(Nc1ccccc1)c1ccc(Cl)cc1	2
CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c(C)c(C)c2ccccc21	1
O=C([O-])c1ccc(/C=N/N2C(=O)c3cccc4cccc(c34)C2=O)cc1	-1
CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH3+])c1ccccc1CC2	1
c1ccc(CC2=[NH+]CCN2)cc1	1
O=S(=O)(c1cccc2c(Cl)cccc12)N1CCC[NH2+]CC1	1
Cc1ccc(CNc2ccc3c(c2)[nH+]c(C)n3C)cc1	1
COc1cc(-c2n(C)c3ccccc3[n+]2C)cc(OC)c1OC	1
Fc1cccc2c1CCC(CC[NH+]1CCCC1)=C2	1
C[NH+](C)CC/C=C1/c2ccccc2CS(=O)(=O)c2ccccc21	1
O=C(COc1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1)C1CC[NH2+]CC1	2
CCOC=C(C(=O)OC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)OC1CC(C)(C)[NH2+]C(C)(C)C1	2
CN(Cc1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1	1
O=C/C=C1\O[C@@H]2CC(=O)N2[C@@H]1C(=O)[O-]	-1
O=C1C[C@@H]([NH2+]Cc2ccccn2)C(=O)N1c1ccc(F)cc1	1
Cc1cccc(C[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)c1	2
COc1ccccc1N1CCC([N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)CC1	2
COc1ccc(C(=O)/C=C/c2cc(-c3cc(C)cc(C)c3)ccc2OCC[N+](C)(C)C)c(C[N+](C)(C)C)c1	2
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12	1
Cc1cc2cc(C)nn2c(N)n1	0
CNC(=O)c1ccc(C[NH+](C(C)C)C(C)C)o1	1
C[NH+]1CCC(c2n[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1	1
COc1cc(N)c(Cl)cc1C(=O)NCC[N@@H+](C)C1CC1	1
CC(C)N(C(=O)C[n+]1ccc(-c2cc[n+](CC(=O)N(c3ccccc3)C(C)C)cc2)cc1)c1ccccc1	2
COc1ccc2[nH]c(C)c(C(=O)[O-])c2c1	-1
O=C1c2ccccc2-c2nc3ccccc3n21	0
[NH3+]Cc1ccccc1OC(F)(F)F	1
C[N@H+]1CCC[C@@H]1c1cccnc1	1
O=C1O[C@H](CC[NH+]2CCCCC2)OC1(c1ccccc1)c1ccccc1	1
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(Cl)c1	0
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccnc1	0
Cc1csc2c(N3CCN(C(=S)NCC4CC4)CC3)ncnc12	0
CCc1ccc(C)[n+](N)c1	1
C[C@@H]([NH2+]CCn1cnc2c(N)ncnc21)c1ccccc1	1
Cc1c(C[N@@H+](C)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C	1
CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@@H]1c1cccc(F)c1	-1
CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)N4CC[NH+](CC)CC4)cc3)CC2)CC1	2
CC[NH+]1CCN(c2ccc(/N=C/c3cccc(Br)c3)cc2)CC1	1
Cn1ccc2c(N)[nH+]cnc21	1
C[NH+]1CCN(C(=O)N2c3ccccc3CCc3ccccc32)CC1	1
CC1(C)CC(NC(=O)c2cc3ccccc3oc2=O)CC(C)(C)[NH2+]1	1
CCOC(=O)c1nnn2c1nc(N1CC[NH+](C)CC1)c1ccccc12	1
O[C@@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCCCC1	1
COc1ccc2c(c1)N=C1[C@H](CC(=O)N1CC[NH+](C)C)S2	1
COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCCCC1	1
O=S(=O)(c1cccc(NC2CC[NH2+]CC2)c1)C(F)(F)F	1
Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](C/C(Cl)=C/c2ccccc2)CC1	2
CC(C)(C)c1ccc(OCC(N)=[NH2+])cc1	1
CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccccn1	2
CC[N+]1=C(C)OCC1(COC(C)=O)COC(C)=O	1
O=C(Nc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1	2
Fc1ccccc1N1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1	1
Cc1cccc2cc(C[NH2+]CCCN3CCCC3=O)c(N3CC[N@H+]4CCC[C@@H]4C3)nc12	2
CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1	2
C[n+]1ccccc1CC(=O)c1ccc(Br)cc1	1
C[NH+](C)CCOC(=O)c1ccccc1	1
O=[S@](Cc1ccccn1)c1nc2ccccc2[nH]1	0
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1	0
CSc1nc2c3ccccc3n(C(C)=O)c2n1Cc1ccccc1	0
O=C1NC(=S)NC1=Cc1ccc(F)cc1	0
CCCC(=O)NOCc1cccc2ccc(OC)cc12	0
CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1	1
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1	0
O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1COc2ccccc2O1	0
CC(=O)OCC[NH+](C)C	1
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1[N+](C)=O	2
CO[C@@H]1CC(=C(c2cccs2)c2cccs2)C[N+](C)(C)C1	1
Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2	0
CC[NH+](CC)CCOc1ccc(-c2c(-c3ccc(OCC[NH+](CC)CC)cc3)c3ccccc3oc2=O)cc1	2
CS(=O)(=O)N1CC[NH+](C2CCCCCC2)CC1	1
CNC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1	0
CC1CCC([N@H+]2CCC[C@@H]2CO)CC1	1
Cc1ncc(C[NH3+])c(N)n1	1
CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2C1	0
Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2c(C)c(C)sc2n1	1
C[N+]1=C(c2ccccc2)c2c(Br)cc(Br)n2CC1	1
Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c12	2
CC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1	1
CNc1oncc1C1=CCC[N@@H+](C)C1	1
COc1cc(OC)c(C[NH3+])c(OC)c1	1
CC[NH+]1CCN(Cc2ccc(NC(=O)CCc3nc(C4=CC[N@@H+](C)CC4)no3)cc2)CC1	2
CC[NH+]1CCN(C(=O)CCC2CC[NH+]([C@@H](C)Cc3cccc(C)n3)CC2)CC1	2
C=C(C)CC1(O)CC[NH+](CC)CC1	1
FC(F)(F)C(F)(F)c1nnc2ccc(N3CCCCCC3)nn12	0
CCOC(=O)N1CCN(C(=S)NC(=O)c2ccc(F)cc2)CC1	0
CSc1nc2ccccc2[nH]1	0
CCOC(=O)c1cnc(C[NH3+])c2c(OC)cc(OC)cc12	1
Cc1nccn1C[C@@H]1CCc2c(c3cccc4c3n2CCC4)C1=O	0
Cc1ccc2c(c1O)C(=O)c1c(C)cc(O)cc1[C@]2(C)O	0
[NH3+]CCc1n[nH]c(CO)n1	1
CCOc1ccc(Cn2ccnc2)cc1[N+](=O)[O-]	0
CC1(C)C(C(=O)N[C@H](C(N)=O)c2ccccc2)C1(C)C	0
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1cccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c1	2
Cn1cc(OC[C@H](O)C[NH2+]C(C)(C)C)c2ccccc2c1=O	1
COc1ccc(C[NH+]2CCN(c3ccccn3)CC2)c(C)c1C	1
CNc1[nH+]ccn1C	1
Cc1cccc(OCC(=O)O[C@@H]2C[NH+]3CCC2CC3)c1	1
CC1(C)COC(c2ccc(N)cc2)=N1	0
CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1	1
CCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccnc3)C2=O)cc1	1
COc1cccc(C=O)c1OCC(=O)[O-]	-1
CC1(C)C(C(=O)NCC(N)=O)C1(C)C	0
c1coc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)c1	1
C[NH2+]C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1	1
CNc1nc(-c2ccccc2)[n+](-c2ccccc2)s1	1
COc1ccc(CC/[NH+]=C(\C)c2ccc3ccccc3c2)cc1OC	1
Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCC3)cc1	1
CC1(C)CC(NC(=O)c2ccn[nH]2)CC(C)(C)[NH2+]1	1
COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C([NH3+])(c2ccc(F)cc2)c2ccc(F)cc2)CC1	2
O=C(c1ccccc1)N(c1ccccn1)[C@@H]1C[NH+]2CCC1CC2	1
c1ccc2[nH+]c(Nc3ccc(-c4ccc(Nc5[nH]c6ccccc6[nH+]5)cc4)cc3)[nH]c2c1	2
CC[n+]1c(SCC(=O)OC(C)C)sc2ccccc21	1
O=C(NCc1ccco1)Nc1c(Cl)cc(Cl)cc1Cl	0
O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)[nH]c3ccccc3c2=O)CC1	1
CN1C[C@H]2C[C@@H]1CN2c1cnccn1	0
C[NH+](C)CCCN1C(=O)CS[C@@H]1c1cccc(Cl)c1	1
Cc1ccnc([N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)n1	-1
COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@@H]3[N+](C)(C)CC2	1
Nc1nnc(CC[NH+]2CCCCC2)s1	1
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	2
C[C@H](O)C[NH2+]C1CCCC1	1
Nn1cc(C(F)(F)F)ccc1=[N+]1CCNCC1	1
Cc1cc(C)[n+]2ccccc2n1	1
CC[NH+](CC)CCn1c(C)nn2c3ccccc3nc12	1
CC[NH+](CC)CC(=O)Nc1scc2c1c(=O)oc1ccccc12	1
CC(=O)OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOC(C)=O	2
COc1ccccc1-c1nc(C)c(-c2cccnc2)[nH]1	0
COCc1cc(C)c(C#N)c(SCc2nc3ccccc3[nH]2)n1	0
O=C(Cc1ccccc1[N+](=O)[O-])Oc1cc(=O)oc2ccccc12	0
C[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)CC1	1
COc1cc(C[NH2+]Cc2ccc(OC)c3ccccc23)cc(OC)c1	1
c1ccc(-n2c(-c3ccc4c(c3)OCCO4)c[n+]3ccccc23)cc1	1
CS(=O)(=O)c1noc(-c2cccs2)c1C#N	0
Clc1ccccc1C[NH2+]CC1CCC(C[NH2+]Cc2ccccc2Cl)CC1	2
C[C@H]1C/C(=N/OC(=O)c2ccc(Br)cc2)[C@H](C)C[N@H+]1C	1
CNc1ncc(C[NH+]2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1	2
c1cc(-c2cnc(-c3ccc(C[NH+]4CCCC4)cc3)o2)cc(-c2cnc(-c3ccc(C[NH+]4CCCC4)cc3)o2)c1	2
CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1	2
COc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)c(OC)c1	0
COc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1	1
COc1ccc(C2(C[NH3+])CCCC2)cc1	1
CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC	0
Cc1cc(C)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(C)c1	0
CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	0
Cc1nc2ccccc2n1S(C)(=O)=O	0
COc1ccccc1OC(=O)Oc1ccccc1OC	0
CC(=O)Nc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1	0
NC(=[NH2+])NC[C@H]1COc2ccccc2O1	1
C[NH+]1CCCN(C(=O)CC[C@H]2C[N@@H+](Cc3cccc4ccccc34)CC[C@H]2N2CCOCC2)CC1	2
CC(NCC[NH+](C)C)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O	1
O=C([C@@H]1CCC[NH2+]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	1
NC(=O)N1CCC([NH3+])CC1	1
CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](Cc4ccco4)CC3)C2)cc1	2
CC[NH+](CC)CCC[C@@H](C)NC(=[NH2+])NC(=O)c1ccsc1CCc1cc(Br)ccc1OC	2
N=C1NC(=[NH2+])N[C@H](c2ccccc2)N1c1ccccc1	1
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
COCc1nc2nccnc2c(=O)[nH]1	0
CC[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1	0
CC(=CC(=O)OC1CC(C)(C)[NH2+]C(C)(C)C1)NC1CC(C)(C)[NH2+]C(C)(C)C1	2
c1ccc(C(CNC2=[NH+]CCN2)c2ccccc2)cc1	1
CN(C)c1ccc(/C=C/CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1	2
Cc1ccc(NC(=O)CSC(N)=O)cc1C	0
COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)C[NH+]2CCCCC2)CCO3)C1	2
C=CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C	0
CCOC(=O)c1c(-n2cccc2)sc(C(C)=O)c1C	0
CNc1nc(C2CC[NH2+]CC2)nc2c1CC[N@@H+](CCC(=O)N1CCOCC1)C2	2
CC1(C)CCCN(c2[nH+]cnc3[nH]ccc23)C1	1
O=C(NCCC(c1ccccc1)c1ccccc1)c1cccs1	0
N#CCc1ccc(NC(=O)c2ccco2)cc1	0
C[C@@H](C[N+](C)(C)C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1	1
CN(C)S(=O)(=O)c1ccc(C(=O)OCC[NH+](C)C)o1	1
CC(=O)/C=C/c1cc[n+](C)cc1	1
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1	0
COc1ccc(C[NH2+]CCc2cccnc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1	2
CC(C)(C)COc1ccc(-n2cc(C(=O)[O-])cn2)cc1C#N	-1
O=C(NCc1ccccc1)C(=O)[C@H](CC1CC[NH2+]CC1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21	2
NC(=[NH2+])NCc1ccco1	1
CC[NH+](CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CC[NH+](CC)CC)c3cc12	2
C[NH+](C)CCO	1
Cc1cccc(N2CCC(/[NH+]=C/N3CCCCC3)=N2)c1	1
Cc1c[n+]2ccccc2c[n+]1[O-]	1
CCOC(=O)c1ccc2c(c1)[n+](CCO)c(C)n2CCO	1
c1ccc(Cn2cc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)c(-c3ccccc3)n2)cc1	2
O=[N+]([O-])c1cccnc1Sc1ccccc1C1=[NH+]CCCN1	1
CC(=O)Nc1ccc2c(c1)n(C)c(C)[n+]2-c1ccccc1	1
CC[NH+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2CCC[N@H+]2CC)c1	2
CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](C2CC[NH+](C)CC2)C1	2
Cc1cc(Nc2ccc(F)c(Cl)c2)nc(N)[nH+]1	1
COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1	0
Brc1cnc(N2CCC[NH2+]CC2)nc1	1
FC(F)(F)c1ccc(CSc2nccc(-c3cccnc3)n2)cc1	0
C[N+]12CCCC[C@H]1[C@H](CN1C(=O)c3ccccc3C1=O)CCC2	1
C[NH+](C)CCNC(=O)c1scc2c1CCCC2	1
CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(N)=[NH2+])c1	2
Cc1ccc2c(c1)Cc1nc3ccccc3nc1-2	0
NC(=[NH2+])NC[C@@H](O)CN1CCCc2ccccc21	1
Cc1ccccc1-[n+]1c(-c2ccc(Br)cc2)cn2c1SCCC2	1
O=C1c2ccccc2C(=O)N1CN(c1ccccc1)c1ccccc1	0
Cc1ccc(C)c(S(=O)(=O)c2ccccc2)c1	0
CC(C)(C)c1ccc(-c2csc(N)n2)cc1	0
O=C1c2ccccc2C(=O)C1(Br)c1ccccc1	0
NC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1	0
Fc1ccc(O[C@@H](c2ccccc2)C2CC[NH2+]CC2)cc1	1
CC[N@@H+](CCO)Cc1csc2c(F)c(F)c(F)c(F)c12	1
COc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1	1
O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1	0
Cc1c(C[N@@H+]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C	1
O[C@@H](CN1C2=[NH+]CCN2c2ccccc21)c1ccc2c(c1)OCO2	1
O=S(=O)(N=C([O-])Nc1ccccc1)c1ccccc1	-1
Cn1c(C[NH+](C)C)c(C#N)c2ccccc21	1
CN1CCCC[C@H]([NH3+])C1=O	1
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCOCC1	0
CCOc1ccc(-c2csc([C@@H]3COc4ccccc4O3)n2)cc1	0
Cn1ccc2c(NC(=O)Nc3cccnc3)cccc21	0
CSc1ccc(C[NH+](CCO)CCO)cc1	1
COc1cccc(NC(=O)CC[N@H+]2C[C@@H](C)C[C@@H](C)C2)c1	1
CC(=O)N[C@@H]1C[NH2+]C[C@@H](C)C1	1
c1ccc2[nH]c(SCc3ccc4nonc4c3)nc2c1	0
O=C(OCc1ccc2nonc2c1)c1c2c(nc3ccccc13)CCC2	0
C[NH+](C)CCNc1oc(COc2ccccc2)nc1C#N	1
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](CC)CC1	1
O=C1CSC(NC(=O)CSc2nc3ccccc3o2)=N1	0
C/C(CC(C)C)=[NH+]\[N-]c1nc(-c2cc3ccccc3oc2=O)cs1	0
COc1cc(C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc(OC)c1OC	1
CC(=O)Nc1cc2c(cn1)[nH]c1ccccc12	0
COC(=O)c1cc2c(cn1)[nH]c1ccccc12	0
Nc1cc2c(cn1)[nH]c1ccccc12	0
Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1	1
O=C(COc1ccc(Cl)cc1Cl)NCCc1ccccc1	0
Cc1nn(Cc2ccccc2F)c(C)[n+]1N	1
O=S(=O)(Cc1ccccc1)NC1CCCC1	0
Cn1c(=O)c(C#N)c(-c2ccccc2)n2cnnc12	0
Cc1ccsc1C[N@H+]1CCC[C@@H](O)C1	1
C[N@@H+](Cc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
Fc1cccc(Cl)c1Cn1nnc(-c2ccc3c(c2)OCO3)n1	0
C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCC[C@H]1c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	2
CCOC(=O)/C(C#N)=C/c1ccc(Cl)cc1	0
CC(C)C[C@@H]1NC(=O)N(C)C1=O	0
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC)C1	1
Cc1cc(C)n2n[s+]cc2n1	1
C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])s2)CC1	1
c1cc(-c2ccc(CCC[n+]3ccc4c(c3)CCCC4)cc2)ccc1CCC[n+]1ccc2c(c1)CCCC2	2
COc1ccc2c(c1)c1c3c[n+](CC[NH+]4CCCCC4)ccc3ccc1n2C	2
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1	1
COc1ccc(CC(=O)O[C@@H]2CCC[N@@H+](C)C2)cc1	1
COc1ccc(CSC2=[NH+]CCN2)cc1[N+](=O)[O-]	1
c1ccc(-c2cn[n+]3ccccc3n2)cc1	1
CCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12	0
COc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)c(F)c1	1
Cc1c(C[NH3+])cnn1C	1
COC(=O)c1c(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)sc2c1CCCC2	0
CNS(=O)(=O)c1cc(OC)c(OC)c(C(=O)NC[C@H]2CCC[N@H+]2C)c1	1
Cc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)[O-])c1	-1
CCOC(=O)c1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1	1
O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccn1	0
CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)[nH+]c2cc(N(C)C)ccc12	2
[NH3+]C[C@H](O)c1cccs1	1
C[NH+](C)CCOC(=O)CCCCCCCCC(=O)OCC[NH+](C)C	2
O=S(=O)(c1cc(Cl)ccc1Cl)n1nnc2ccccc21	0
COc1cccc(Oc2ccc(NC(C)=O)cc2)c1	0
O=C(c1ccc(F)cc1)N1CC[NH+](CCCc2ccccc2)CC1	1
CCN(CC)C(N)=C(C#N)N=Nc1ccc(C)cc1	0
Cn1c(=O)sc2cc(CC[NH+]3CCC(Cc4ccccc4)CC3)ccc21	1
C[N+]1(CC(=O)c2ccc(CCc3ccc(C(=O)C[N+]4(C)CCCCC4)cc3)cc2)CCCCC1	2
O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1)c1ccccc1	1
O=[S@](c1ccc2ccccc2c1)N1CCCCC1	0
CCc1ccc(C(=O)Nc2cccnc2Oc2ccc(OC)cc2)cc1	0
[NH3+]Cc1ccc(Br)cc1	1
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	0
Cn1nc2ncc3c([n+]2n1)CCCC3	1
COc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C(C)C	1
O=C1CCC(=O)N1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12	1
c1ccc2nc3c(nc2c1)c1ccccc1n3CC[NH+]1CCCCC1	1
C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1	1
C[N@H+]1CCO[C@@H](c2ccccc2)c2ccccc2C1	1
CCOC(=O)Nc1cccc2nsnc12	0
CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1	0
Cc1c2c(cn1C)NC(=O)CN=C2c1ccccc1	0
Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)[nH+]cnc32)cc1	1
COc1ccc([C@]2(C)N(O)[C@@H](C)C(c3ccccc3)[N+]2=O)cc1	1
CC(=O)n1c(SCC(=O)Nc2ccccc2)nc2ccccc21	0
COc1nnc(OC)c2ccccc12	0
c1ccc2c(c1)sc1[n+]2CCS1	1
O=C1C(=CNCC2CC[NH2+]CC2)C(=O)c2ccccc21	1
C[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1	2
Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3ccc(C(C)C)cc3)c(=S)o2)c1	0
CC(C)[NH+]1CCC(NN)CC1	1
Clc1ccc2c(Cl)cccc2n1	0
CSC[NH+]1CCCCC1	1
OCC[NH2+]C1CCCCC1	1
[NH3+]Cc1cc(-c2ccccc2)no1	1
CC(C)N/C=[NH+]/C(C)C	1
Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3	0
CC[NH+](CC)CCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	1
COC[C@@H]([NH3+])C(C)C	1
C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(NC(N)=[NH2+])cc4)cc3)cc2)c1	2
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)cc1	0
COC(=O)c1ccc(NC(=O)CNc2cc(Cl)ccc2OC)cc1	0
Cn1nc(C[NH3+])c2ccccc2c1=O	1
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)CCn4cc[nH+]c4C)C3)CC2)cc1	2
Fc1ccc(COc2ccnc3cc(C(F)(F)F)ccc23)cc1	0
C[C@@H](Oc1ccccc1F)C(=O)NCC[NH+]1CCCCC1	1
Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]C[C@@H]4CCC[N@H+](C(C)C)C4)CC3)cc2)c(C)c1	2
CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3cc(-c4cccc(C(N)=[NH2+])c4)no3)S(C)(=O)=O)cc2)CC1	2
CCOC(=O)c1cccc(C(=O)OCC)n1	0
C[N@H+]1CCC[C@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12	1
C1CCC(CC[N+]2(CCCC[N+]3(CCC4CCCCC4)CCCCC3)CCCCC2)CC1	2
CC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1	1
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2ccccc2)n1	0
CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1	0
COC(=O)c1ccccc1C[NH3+]	1
COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1	0
C[NH+](C)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O	1
CN1CCC[C@@]2(CCC[NH2+]C2)C1	1
N#Cc1ccc2c(c1)N(CCC[NH+]1CCC(O)CC1)c1ccccc1S2	1
c1ccc(C[NH+](CCOc2ccc(NC(=[NH+]c3ccccc3)c3ccccc3)cc2)Cc2ccccc2)cc1	2
O=C([O-])CSc1nccc(-c2ccccc2)n1	-1
NOCCC[NH3+]	1
CCC(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CC[C@@H](C)C2	0
C[C@H](O)C1CC[NH2+]CC1	1
Nc1nc2ccccc2[n+]([O-])n1	0
[NH3+][C@@H]1CCCC[C@@H]1O	1
COc1ccccc1Oc1ncnc2sc(-c3ccccc3)cc12	0
CS(=O)(=O)c1ccc(N2CC[NH2+]CC2)c(F)c1	1
Nc1ncc(S(=O)(=O)c2ccccn2)s1	0
O=C(NCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1	2
Cc1cc(C[NH+](C)C)cc(C)c1O	1
C1=C(c2ccccn2)C2CCN1CC2	0
CCOC(=O)c1ccc(N)c(N)c1	0
CC(C)[NH2+]C[C@H]1CCCN1C	1
CCc1cccc(C)c1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	0
[NH3+]Cc1ccncc1	1
C[N+](C)(C)[C@@H]1[C@@H](O)O[C@H]2[C@@H](O)CO[C@H]21	1
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C1CC1)C(c1ccc(F)cc1)=[NH+]2	1
COc1ccccc1CN1CCC([NH+]2CCCCC2)CC1	1
CC(=O)Nc1c(C(C)=O)oc2ccccc12	0
CC[NH+](CC)CCN1C(=O)CCCc2sc3c(c21)CCCC3	1
C/C(=C/CC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1	1
C[N@@H+](CCCn1ccnc1)CCOc1ccc(Cl)cc1	1
Cc1ccc(-c2noc(CN(Cc3ccco3)S(C)(=O)=O)n2)cc1	0
O=C1C[NH2+]CCN1C1CCCC1	1
CC[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	1
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2	2
Cc1nnsc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	1
CCCC[C@H](CC)[C@@H](C#C[C@@H]([C@@H](CC)CCCC)[NH+](C)C)[NH+](C)C	2
O=C([O-])/C=C/c1cc(Br)ccc1F	-1
[NH3+][C@@H](c1ccccc1)c1c(O)ccc2ccccc12	1
O=C1C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)C(=O)N1Cc1ccccc1	1
CC(C)[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O	0
COc1ccc2c(c1)O[C@H](C)C[NH+](CCC(=O)N1CCC[N@@H+](Cc3ccccc3F)CC1)C2	2
COC(=O)[C@H]1CC(C)(C)N(OC(C)=O)C1(C)C	0
CN(/N=N/N(C)c1ccccc1)c1ccccc1	0
Cc1n(C)c2ccccc2[n+]1C	1
C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)CC[C@H]1O	1
COc1cc(C[C@@H](C)[N@H+]2CCc3cc(OC)c(OC)cc3C2)ccc1O	1
CC[NH+](CC)CCCNc1[nH+]c2ccccc2n1CCC(C)C	2
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	1
COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(OC)c1C	1
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COc1ncnc2ccccc12	2
C[N@H+](Cc1cnc(N2CCOCC2)s1)CC1CC[NH+](CCc2ccc(F)cc2)CC1	2
Cn1ccc(=[NH2+])cc1	1
NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1	0
CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)cc1	1
O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)cc1	1
CC[N@H+]1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1	1
CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c1oc(=O)c1ccccc12	0
C[NH+]1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1	1
Fc1ccc(OC[C@H]2CC[C@@H]3CN(c4ncc(F)cn4)CC[N@H+]3C2)cc1	1
NC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc23)CC1	1
CC[NH+](CC)CCNc1ncc2c(c1C#N)Nc1ccccc1C2	1
C[C@@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)O1	0
c1ccc(-c2cnc(C[n+]3ccc(-c4cc[n+](Cc5ncc(-c6ccccc6)o5)cc4)cc3)o2)cc1	2
C[C@@H](CCCC(C)(C)O)[NH2+]C1CC[NH+](CCc2ccccc2)CC1	2
CCc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)OC	0
CC[C@@H](C(=O)[O-])n1cnc2scc(-c3ccc(C)cc3)c2c1=O	-1
C[NH+](C)CCCC1=C([N+](=O)[O-])C=CC([N+](=O)[O-])=C(CCC[NH+](C)C)N1C(F)(F)F	2
COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCC2)cc1	1
CC[NH+](CC)CCc1ccc(Oc2ccc(C(=O)c3ccc(C[N@@H+](C)Cc4ccccc4)cc3)cc2)cc1	2
C[N+]1(C)CCc2ccc(Cl)cc21	1
Cn1cc(C[NH+]2CCC(C(=O)NCCN3CC[NH+](C)CC3)CC2)c2cc(Cl)ccc21	2
C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)S(=O)(=O)/C=C/c1ccccc1	2
O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccccc1O	0
C[NH+](C)CCCOc1ccc(-c2nc3ccccc3c3c2-c2ccc(OCCC[NH+](C)C)cc2C3=O)cc1	2
[NH3+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1	1
CCN(CC)c1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1	0
COCCOC1CC[NH+](Cc2cc(OC)ccc2OC[C@H](O)C[NH+](C)C)CC1	2
C=C1C[C@@](COc2cccc3cccnc23)(c2ccccc2)OC1=O	0
COc1ccccc1NC(=O)c1c(N)sc2c1CC[N@@H+](C)C2	1
C=CCn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C	1
O=C(C1CC[NH+](CC2CCCCC2)CC1)N(CCO)Cc1ccccc1	1
CN1C(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)NC1=S	0
CC(=O)SCC[N+](C)(C)C	1
CC1=C2C(=CO[C@@H](C)[C@@H]2C)C(=O)C(C(=O)[O-])C1=O	-1
CC(C)(O)C#Cc1ccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	1
CN(/C=C/c1sc2ccc3ccccc3c2[n+]1C)c1ccccc1	1
c1ccc(C2CC2)c(OCC2=[NH+]CCN2)c1	1
[NH3+]CCc1ccco1	1
COc1ccccc1-c1nn(Cc2ccccc2)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	2
C[N@H+](Cc1ccc(C#CC(C)(C)O)s1)CC1CC[NH+](CCc2ccc(F)cc2)CC1	2
O=C(CN1C2=[NH+]CCCN2c2ccccc21)c1ccc(F)cc1	1
C[NH+](C)C[C@@H](O)CC(N)=O	1
OC[C@@H]1CCC[N@H+]1C1CCN(CCc2ccccc2)CC1	1
NC(=O)c1oc2ccccc2c1NC(=O)C[NH+]1CCCCC1	1
CCCOc1ccc(C(=[NH2+])NCC[NH+](CC)CC)cc1	2
[NH3+]C1([C@@H]2CCCCC2=O)CCCCC1	1
CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1	2
CC[NH+](CC)[C@@H](C)C(=O)Nc1c2c(cc3c1CCC3)CCC2	1
Cn1cnnc1Sc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)o1	2
C[C@H](O)C[NH+](C)C	1
Cn1c(Cc2ccsc2)nnc1SCc1ccc([N+](=O)[O-])cc1	0
Cc1cc(C)c(NC(=O)CCC(=O)[O-])c(C)c1	-1
C[NH+](C)CC(C)(C)C=O	1
CC(C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C(C)C)cc2)cc1	2
c1ccc2[nH]c(N3CCOCC3)nc2c1	0
O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)C31CC1)c1ccccc1Cl	0
CC(C)(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1	1
CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(C)C)CC1	2
CCCC[NH+](CCCC)CCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12	2
C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4ccc(-c5ccncc5)c(C(F)(F)F)c4)cc23)CC1	2
CC(C)[NH2+]CC(C)(C)O	1
COC1=CC2=C(NC3CC[NH+](Cc4ccccc4)CC3)NC(N3CCCN(C)CC3)=[NH+][C@@H]2C=C1OC	2
COc1ccc([C@@](C#N)(CCC[NH+]2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1OC	1
O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2ccccc2oc1=O	1
CCOC(=O)N1CCC([NH2+]CCc2cccc(F)c2)CC1	1
CCCCc1nc(C[N@H+](CC2CC[NH+](C3CCCC3)CC2)C[C@@H]2CCCO2)c[nH]1	2
CC(C)[NH2+]C[C@@H](O)c1ccc(O)c2ncccc12	1
CC(=O)OC1CC[NH+](C)CC1	1
CCOc1ccc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)cc1	1
C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2
CC(C)CCN(CCC(C)C)C(=O)C[N+]12CC[N+](CC(=O)N(CCC(C)C)CCC(C)C)(CC1)CC2	2
C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH+]2CCC(Cc3ccccc3)CC2)CC1	2
COc1cc2cc(-c3ccc(OC)c(OC)c3C)[nH+]c(N)c2cc1OC	1
N#Cc1ccc(-c2cccs2)[nH]c1=S	0
CC1(Br)C(=O)c2ccccc2C1=O	0
COC(=O)CCCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1	2
CCC(=O)c1c(-c2ccccc2)nc2n(CC[NH+](CC)CC)c3ccccc3n12	1
CCOC(=O)CC[NH3+]	1
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C	0
C/C=C(/CC)C(=O)NC(N)=O	0
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1	0
CC[NH+](CC)CCn1c(C)nc2c1C(=O)c1nc(C)n(CC[NH+](CC)CC)c1C2=O	2
C[NH+](C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1	1
C=C(C)Cn1c(SCc2ccccc2)nc2ccccc2c1=O	0
CCn1cc2[nH]c(N3CC[NH2+]CC3)ncc-2c1=O	1
OC[C@@H]1CCC[NH2+]C1	1
N#C[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc2ccccc21	-1
[NH3+]C1(CO)CC=CC1	1
COc1ccc(C[NH2+]C[C@@H](O)CSc2ccc(OC)cc2)cc1	1
Cc1ccc(C=C(C#N)C#N)o1	0
O=C([O-])C[C@@H]1SC2=NCCN2C1=O	-1
Cc1ccc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)s1	1
O=C(Cc1ccccc1)c1cc(O)c([O-])c([N+](=O)[O-])c1	-1
O=C(CCSc1nc2ccccc2s1)Nc1ccccc1Cl	0
c1csc(-c2cc3nccn3[nH]2)c1	0
Cc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1	2
NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1	1
CC(C)c1c(C[N@@H+](C)[C@@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O	1
O=C(Nc1cccnc1)c1ccc(OCc2ccccc2Cl)cc1	0
COC1=C[C@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CC[N@H+]3C)CC1=O	1
O=c1[n-]n(-c2ccccc2C(F)(F)F)n[o+]1	0
c1ccc(-c2cc(NCC[NH+]3CCCC3)c3ccccc3[nH+]2)cc1	2
COc1c2c(cc3c1[C@@H](O)N(C)CC3)OCO2	0
CN(C)c1ccc([N+](=O)Cc2cccc3nsnc23)cc1	1
CCC1CCC([N@@H+]2C[C@H](C)O[C@H](C)C2)CC1	1
C[NH+](C)C[C@@H](O)[C@H]1CCOC(C)(C)C1	1
CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C	2
COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@@H](O)C[NH+]1CCCC1	2
C[NH+]1CCN(c2ccc(-c3nc4ccc(I)cc4s3)cc2)CC1	1
Cn1c(N)c(C(=O)C[NH2+]C2CCCCC2)c(=O)n(C)c1=O	1
CN1CC2(C)C[NH+](C)CC(C)(C1)C2O	1
CCOc1ccc(C[N@H+]2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cc1	2
O=C([O-])[C@@H]1CS[C@@H](c2cccnc2)N1	-1
c1ccc([C@H](CC2=[NH+]CCN2)c2ccccn2)cc1	1
CN(C)c1ccc([N+](=O)CC(=O)c2ccc(C(=O)C[N+](=O)c3ccc(N(C)C)cc3)cc2)cc1	2
O=c1oc2cccnc2n1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	1
C[NH+](C)CCn1cnc2ccccc21	1
C[C@@H](O)C[NH+](Cc1ccc(Cl)cc1)C[C@@H](C)O	1
Fc1ccc(OCC2CC[NH+](CC3CC3)CC2)cc1	1
COC(=O)c1ccc(C[NH+]2CCCC2)o1	1
CCCCCCCCC[C@@H]1CC(=O)NCCC[NH2+]CCCC[NH2+]CCCN1	2
CCC(=O)Nc1cccc([N+](=O)[O-])c1C	0
Fc1ccc2c(C3CC[NH2+]CC3)noc2c1	1
COc1cc2ncnc(N3CC[NH+](C)CC3)c2cc1OC	1
O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1	0
C[NH+](C)CCSc1nnnn1-c1ccccc1	1
CC(C)(C)c1cc(C(=O)N2CCC[NH2+]CC2)cc(C(C)(C)C)c1O	1
COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCC[NH+]4CCCC4)CC3)n2)cc1OC	2
Cc1cc(C)[n+]2c(n1)S[C@@H](C)C2	1
CCCn1c(=O)c2c(nc(N3CC[NH2+]CC3)n2CCC)n(C)c1=O	1
CC(C)OC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1	0
NN=C1c2ccccc2-c2ccccc21	0
Nc1cc(Cl)c(NC2=[NH+]CCN2)c(Cl)c1	1
CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1	1
CC[NH+](CC)CCNC(=O)c1ccc(Nc2cc[nH+]c3cc4ccccc4cc23)cc1	2
CC[NH+](CC)Cc1cc(Cl)nc(Cl)c1	1
CC(C)(C)c1cc[n+](Cc2cc(Cl)nc(Cl)c2)cc1	1
CC[NH+](CC)CCOc1ccc(C[N@@H+](C)C[C@@H](C)CCC2=C(C)CCCC2(C)C)cc1	2
O=c1c(C[NH+]2CCC3(C=Cc4ccccc43)CC2)coc2ccccc12	1
CCOc1ccccc1NC(C)=O	0
CC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1	0
CC(=O)N(Cc1ccccc1)c1ccccn1	0
CC(=O)N1CCN(c2ccccc2)CC1	0
Cc1cccc(NC(=O)c2c(N)cnn2C)c1	0
NC(=[NH2+])N1CCSCC1	1
O=C([O-])c1ccccc1NCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O	-1
C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1	1
COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC)cc(OC)c1OC	1
CC1CCC([N@H+]2CCC[C@@H](O)C2)CC1	1
Cn1nc(-c2ccccc2)[n-]c1=O	-1
COc1cc(N2CC[NH2+]CC2)cc(OC)c1OC	1
Cc1cc(C)n2c(NC(C)(C)C)c(-c3ccc(F)cc3)[nH+]c2c1	1
Clc1ccc(N2C[C@@H]3CC[C@H](C2)[NH2+]3)nn1	1
Cc1nn(C)c(Cl)c1C[N@@H+](C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1	2
COC(=O)c1c[n+](C)ccc1SC	1
CC1(C)OCO/C1=C\C[N+](C)(C)C	1
C[NH+]1CCC(OC(=O)c2cc3ccccc3oc2=O)CC1	1
Cn1c2c(c3ccccc31)CCN(CCC[NH+]1CCN(c3ccccc3)CC1)C2=O	1
N#Cc1ccc(NC(=O)c2ccccc2Cl)cc1Cl	0
Cc1coc(CC[N+](C)(C)C)c1	1
CC(=O)Nc1ccc(C(=O)NCCC(C)C)cc1	0
COc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NC(=[NH2+])N2)cc1	1
Cc1c([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)nn1C	1
CN(C)c1ccc(C2=[NH+]N(c3ccc(-c4sc5ccccc5[s+]4)cc3)[C@@H](c3ccccc3)C2)cc1	2
c1ccc(-c2cc(C[NH2+]CCC[NH+]3CCCCC3)c3nnnn3c2)cc1	2
CCCNC(=O)C[NH3+]	1
C[NH+](C)CCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1	1
Nc1[nH]c2cc3c(cc2[nH+]1)N(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3	1
O=C1CCn2cnc3cccc4ccc1c2c43	0
O[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1	1
Cc1ccc(S(=O)(=O)Cc2sc3ccccc3[n+]2C)cc1	1
O=C(OCC[NH+]1CCCC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12	1
[NH3+]CCCN1C(=O)[C@@H](C[NH3+])N=C(c2ccccc2)c2cc(N(Cc3ccccc3)Cc3ccccc3)ccc21	2
Nc1cc(C(=O)Nc2ccc(CC[NH3+])cc2)ccc1C(=O)Nc1ccc(CC[NH3+])cc1	2
CCc1ccc(C2=[NH+]CCN2)cc1	1
[O-]c1c(C[NH2+]C2CCCCC2)cc(C[NH2+]C2CCCCC2)cc1C[NH2+]C1CCCCC1	2
Cc1cccc(N2CCN(C(=O)CC[N@@H+]3Cc4ccccc4O[C@@H](c4ccccc4F)C3)CC2)[nH+]1	2
CC[N+](C)(C)CCN(CC[N+](C)(C)CC)c1ccccc1	2
COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccoc2)CC1	2
C[NH+](C)CCC[C@]1(O)c2ccccc2CSc2sccc21	1
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H]([N@@H+](C)Cc1ccccc1O)CC2	1
C[NH+](C)CCNC(=O)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1	2
[NH3+]C[C@@H](c1ccc[nH]1)C(F)(F)F	1
CC(=O)Nc1cccc(-c2cc(=O)c3ccccc3o2)c1O	0
C[C@H](C[NH2+]C1CCCCC1)OC(=O)c1ccccc1	1
COc1ccc(CC[N@H+](Cc2cccn2-c2ccccn2)CC2CC[NH+](C)CC2)cc1	2
CCOc1ccc(Br)cc1C[N+]1(C)CCOCC1	1
CCOC(=O)c1c(N)sc(C)c1C	0
C[C@H]([NH3+])Cn1ccc2ccc3cnccc3c21	1
CCOc1cc(/C=N\c2ccc(NC(C)=O)cc2)cc(Cl)c1OC	0
Cc1ccc(C)c(N2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)c1	1
CCOC(=O)c1c(C)n(C)c2cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c12	1
O=C(CSc1nccc(-c2ccco2)n1)Nc1ccccc1Cl	0
COCC[NH2+]C1CC1	1
C[NH2+]C1(COC)CC1	1
Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1	2
CCCCNC1=[NH+]CCN1	1
Nc1noc(Cc2ccc3[nH]cc(CC[NH3+])c3c2)n1	1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)C2)cc1	1
Cc1cc(C(F)(F)F)cc(N(C)N[C@@H]2OC(=O)c3ccccc32)[nH+]1	1
COc1cc(/C=C2/C(=O)Nc3ccc(Br)cc32)ccc1O	0
C[NH+](C)CCNC(=O)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1	2
Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCC(C)C)CC2)cc1	1
CCN(CC)c1nc2ccccc2n2cnnc12	0
Nc1ccc(OC[C@@H](O)C[n+]2ccccc2)cc1	1
CC[NH+](CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	1
N#Cc1ccsc1NC(=O)C[NH+]1CCCCCC1	1
C=CCN1CCC(=O)Nc2ccccc21	0
CC(=O)O[C@H]1C[C@H]2CCC[C@@H]1[NH2+]2	1
CN(C)C(=O)Oc1ccc(OCc2c[n+]3ccccc3n2C)cc1	1
O=C1C[C@@H]([NH+]2CCCCC2)C=C1Nc1ccccc1	1
CCSc1sc(C[NH+](C)C)cc1/C=N/O	1
O=C([O-])c1cc(=O)c2ccsc2[nH]1	-1
COc1cccc(C[NH2+]CCC[NH2+]Cc2cccc(OC)c2O)c1O	2
CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccncc1	1
CC(=O)O[C@@H](C[NH+]1CCCC1)C(C)(C)C	1
CC1=C(CC[C@@H](C)[N@H+](C)Cc2ccc(O[C@@H](C)C[NH+](C)C)cc2)C(C)(C)CCC1	2
OCCC[NH2+]CCN(Cc1ccccc1)Cc1cccc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1	2
Cn1c(=O)n(C)c2cc(C[NH2+]Cc3ccccc3OC[C@@H](O)C[NH+]3CCCCC3)ccc21	2
O=C(C[C@@H](c1ccccc1O)[NH+]1CCCCC1)N1CCCCC1	1
Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1	0
CCCCc1nc(NCCCCCC[NH3+])cc(C)[nH+]1	2
O[C@@]12CCCC[C@@H]1C[NH2+]CC2	1
CC[NH+](CC)CCOc1ccccc1C=O	1
O=C(CN1CCCc2ccccc21)Nc1ccc(Cl)c(Cl)c1	0
CCNC(=O)C[NH+](CC)CC	1
N#CCN(CC#N)C(=O)c1cccc(Br)c1	0
COc1cccc(OC)c1C(=O)N(CC#N)CC#N	0
C[C@@H]1c2ccccc2CN1CC1=[NH+]CCN1	1
Cn1c(CN(C(=O)C[NH+]2CCCC2)c2ccccc2)c(C#N)c2ccccc21	1
Cc1cc(S(N)(=O)=O)c2ncccc2c1	0
Cc1ccccc1C(=O)N1CCCC[C@@H]1CO	0
CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1	1
C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccccc3)CC2)C1	1
CC[NH+](CC)CCC[NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1	2
C[NH+]1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)CC1	1
C[NH+](C)CCCNC(=O)CSc1nc2ccccc2n1CC(=O)CCC[NH+](C)C	2
O=C(Cn1c(=O)sc2ccccc21)O[C@@H](C(=O)c1ccccc1)c1ccccc1	0