COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1N(C)C	1
C=CC[C@H]1C[N@@H+](C)CC[C@@]1(OC(=O)CC)c1ccccc1	1
O[C@@H]1C=C2CC[N@@H+]3Cc4cc5c(cc4[C@H]([C@H]1O)[C@H]23)OCO5	1
C[C@@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+](C)C	1
Cc1c(NC(=O)[C@H](C)[NH+](C)C)c(=O)n(-c2ccccc2)n1C	1
CC(C)CCO[C@H](C[NH+]1CCCC1)c1ccccc1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1NC(=O)c1ccco1	1
C[N@@H+]1CCN2c3ccccc3Cn3cccc3[C@@H]2C1	1
CC(=O)c1cc2cccc(OC[C@H](O)C[NH2+]C(C)C)c2o1	1
C=CCC1=C(C)[C@@H](OC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O	0
COc1cc(C[C@@H](C)[NH3+])c(OC)cc1Br	1
C[NH+](C)CCO[C@H](c1ccccc1)c1ccc(Br)cc1	1
CC(C)(C)[NH2+]C[C@H](O)c1cc(Br)no1	1
Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c2oc(=O)ccc12	1
CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(NC(N)=O)c1	1
CC(C)OC(=O)c1cc2c(OC[C@H](O)C[NH2+]C(C)(C)C)cccc2[nH]1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC(=O)N2	1
C[NH+](C)[C@@](C)(CO)Cc1ccc(Cl)c(Cl)c1	1
O=C(OCC[NH+]1CCCCCC1)[C@@H](c1ccsc1)C1CCCCC1	1
c1ccc(C2(c3ccccc3)C[C@@H]2C2=[NH+]CCN2)cc1	1
COC(=O)/C=C/c1ccccc1OC[C@H](O)C[NH2+]C(C)C	1
C=CCc1cccc(OC)c1OCC[NH+](CC)CC	1
COC1=C[C@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CC[N@@H+]3C)CC1=O	1
C[NH+](C)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCC1	1
CC[NH+](CC)[C@@H](C)C=C(c1cccs1)c1cccs1	1
C[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)[NH+](C)C	1
CC(C)[NH2+]C[C@@H](O)CC(c1ccccc1)c1ccccc1	1
Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1CCO	1
C[NH+](C)CCO[C@](C)(c1ccccc1)c1ccc(Br)cc1	1
CCc1ccc(C(=O)[C@H](C)C[NH+]2CCCCC2)cc1	1
COC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	1
C#C[C@]1(O)CC[C@@H]2[N@@H+]3CCc4cc(OC)ccc4[C@@H]3CC[C@]21C	1
CC[N@H+](C)[C@@H](C)C=C(c1cccs1)c1cccs1	1
CCC[N@H+](CC)[C@@H](CC)C(=O)Nc1c(C)cccc1C	1
CC[C@@H](C)[C@](C#N)(CC[NH+]1CCCCC1)c1ccccc1	1
C[C@H](Cc1ccccc1)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C	1
C[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1	0
C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1	1
C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)c2cccs2)C1	1
CC(C)[NH2+]C[C@@H](O)COc1cccc2c1C=CC2	1
COC(=O)[C@@H](C[NH3+])c1c[nH]c2ccc(OC)cc12	1
CC(C)NC(=O)c1no[n+]([O-])c1C(=O)NC(C)C	0
Cc1cc(O)c2c(=O)c3ccoc3c(OC[C@H](O)C[NH2+]C(C)C)c-2o1	1
CC[C@H]([NH2+]C(C)C)[C@@H](O)c1ccc(O)c(O)c1	1
Cc1cc(/C=C/c2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)on1	1
C[C@H]([NH2+][C@H](C)COc1ccccc1)[C@@H](O)c1ccc(O)cc1	1
CCCC(=O)c1ccccc1OCC[NH+](C(C)C)C(C)C	1
Cc1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CCC1(C)C	1
CC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(C(F)(F)F)c1	1
COc1ccc([C@H](OCC[NH+](C)C)c2ccccc2)cc1	1
C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1	1
CC(C)[C@@H](c1ccccc1)[C@H](O)CC[N+]1(C)CCCCC1	1
C[NH2+][C@@H](C)[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	1
Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1	0
CC(=O)Oc1c(C)cc(OC[C@H](O)C[NH2+]C(C)C)c(C)c1C	1
Cc1nc2c(=O)n(C)c(=O)n(C[C@H]3CC=CCC3)c2[nH]1	0
COc1ccccc1OC[C@H](O)C[NH2+]C(C)C	1
C[C@H]1CC(=O)NN=C1c1cc(-n2ccnc2)cs1	0
C[C@H](c1ccc(Cl)c(Cl)c1)n1[nH]c(N)cc1=O	0
C=CC[N@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(O)c2c1C1CCC2CC1	1
COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cc(N)cc(CO)c2)cc1	1
CSC[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1	0
C[C@@H]1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1	0
O=[N+]([O-])c1cccc([C@@H]2CN3CCSC3=[NH+]2)c1	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
COc1cc(C)c(Cc2c[nH+]c(N)nc2N)cc1OC	1
Cc1ccccc1[C@H](OCC[NH+](C)C)c1ccccc1	1
CC(C)[NH2+]C[C@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1	1
C[N+]1(C[C@H]2CO[C@@](c3ccccc3)(C3CCCCC3)O2)CCCCC1	1
CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21	1
COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	1
COC(=O)NCCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	1
CC(C)=CC[N@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C	1
CCC(=O)N(c1ccccc1)[C@H](C)C[NH+]1CCCCC1	1
CC(C)[NH2+][C@@H](C)C(=O)c1ccc([O-])c(O)c1	0
O=[N+]([O-])c1nccn1C[C@H](O)C[NH+]1CCCCC1	1
CC(C)[C@@H](c1ccccc1)[C@H](O)CC[NH+]1CCCCC1	1
OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCC[NH2+]1	1
C[NH+](C)CC[C@@]1(C)OCCC2=C1Cc1ccccc12	1
Cc1cc(C[C@@H](C)CC(C)(C)C)n(O)c(=O)c1	0
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
C[N+]1(C)CCC[C@@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1	1
CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccc(NN)nn1	1
CC[C@H](c1ccccc1)c1noc(CC[NH+](CC)CC)n1	1
CCC[C@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1	1
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	1
C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(O)cc1	1
COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(CO)c2)cc1	1
CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=CC1=O	0
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CC1(CCCCC1)C2=O	1
COc1ccc2nc3n(c2c1)SCc1c(C)c(OC)c(C)c[n+]1-3	1
C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@H](O[C@@]3(C)O)[C@@]2(C)C(=O)C=C[C@H]12	0
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1SCCC2	1
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2	0
C[N+]1(CC[C@](O)(c2ccccc2)c2cccs2)CCOCC1	1
CC[NH2+][C@@H](C)Cc1cccc(SC(F)(F)F)c1	1
CO[C@@H]1CC(=C(c2cccs2)c2cccs2)C[N+](C)(C)C1	1
C[N+]12CCCC[C@H]1CCC(=C(c1cccs1)c1cccs1)C2	1
Cc1ccccc1OC[C@H](O)C[N@H+]1CC=CCC1	1
C=CC[C@H](Cc1cc(OC)c(OC)c(OC)c1)[NH2+]C	1
COc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)cc(OC)c1OC	1
CC[C@@H](C)Cn1c(=O)n(C)c(=O)c2nc(C)[nH]c21	0
O[C@H]1C[C@@H]2CCC[N@@H+]3CCc4c(n1c1ccccc41)[C@@H]23	1
CC[C@@]1(CO)CCC[N@@H+]2CCc3c([nH]c4ccccc34)[C@@H]21	1
Cc1cccc(OC[C@H](O)C[NH2+]C(C)(C)C)c1C	1
COc1cccc(O[C@H](C)CNC(=[NH2+])Cc2cccc(C)c2)c1	1
COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(NC=O)c2)cc1	1
Oc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1	1
CC(=O)Nc1c2sscc-2n(C)c1=O	0
NC(N)=[NH+]N1Cc2c(Cl)ccc(Cl)c2C1	1
CCCc1ncc(C[n+]2ccccc2C)c(N)n1	1
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1	0
COC1(c2ccccc2)[C@H]2CCC[C@@H]1C[N@H+](C)C2	1
C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@]43C)[C@@H]1CCC2=O	0
COc1ccc(-c2cc(=S)ss2)cc1	0
COc1ccc(C[C@H]2[NH2+]C[C@H](O)[C@H]2OC(C)=O)cc1	1
C[NH+](C)CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O	1
C[N+](C)(CCOc1ccccc1)Cc1ccccc1	1
CN(CC[NH+](C)C)n1cc(-c2ccccc2)c2ccccc21	1
C[NH+](C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc21	1
CC[N+](C)(C)Cc1ccccc1Br	1
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C=CBr	0
NOCc1ccc(Br)c(O)c1	0
COc1cc(Br)c2oc(C3CC[NH2+]CC3)cc2c1	1
O=c1[nH]c2cc(Cl)c(Br)cc2o1	0
Cc1nc2ncnn2c2c1CCN2C(C)(C)C	0
CC(C)NC(=[NH2+])NC(=N)Nc1ccc(Cl)c(Cl)c1	1
Cc1[nH+]ccn1C[C@@H]1CCc2c(c3cccc4c3n2CCC4)C1=O	1
CC(C)[NH2+][C@H]1C2CCC(CC2)[C@]1(O)c1ccc(Cl)c(Cl)c1	1
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12	1
CC1(C)NC(=[NH2+])NC(=N)N1OCc1ccc(Cl)c(Cl)c1	1
Clc1ccc(CC2=[NH+]CCN2)c2ccccc12	1
C[NH+](C)CCOC(=O)c1ccc(Cl)c(N)c1	1
COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	1
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12	0
C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2CC1CC1	1
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]21C	0
CC[NH+](CC)CCOc1ccc2nc(N(C)C)sc2c1	1
Cc1ccc(S(=O)(=O)N(Cl)Cl)cc1	0
C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1	0
O=C(OCC[NH+]1CCCCC1)C1(C2CCCCC2)CCCCC1	1
C/C(=C(/C)c1ccc(O)cc1)c1ccc(O)cc1	0
CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1	0
COc1cc(C)c(OC)c(C)c1CC1=[NH+]CCN1	1
C[NH+](C)CC/C=C1/c2ccccc2CSc2ccccc21	1
CC[NH+](CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C	1
CCOC(=O)c1cnc2c(cnn2CC)c1N=NC(C)C	0
CCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@@]341	1
C[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCC1	1
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(Cl)c1	1
C[NH+](C)CCCn1c(=O)c2ccccc2c2ccccc21	1
COc1ccc(OC[C@@H]2C[N@H+](C)CC[C@H]2c2ccccc2)cc1	1
Clc1ccc(OCC2=[NH+]CCN2)cc1Cl	1
C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCCC1	1
COP(=S)(OC)Oc1ccc(SC)c(C)c1	0
CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1	0
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)[nH+]c1N	1
Nc1nc(N)c2nc(-c3ccco3)c(N)nc2n1	0
NC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1	0
Cc1cc(O)c(C(C)C)cc1I	0
[NH3+][C@@H](Cc1ccc(O)c(I)c1)C(=O)[O-]	0
C[NH+](C)CCCn1c2c(c3ccccc31)CCCCCC2	1
Cc1cc(OCC[NH+](C)C)c(C(C)C)cc1OC(=O)OC(C)C	1
CCN(CC)CCNC1=[NH+]CCc2ccccc21	1
CC[NH+](CC)CCOc1ccccc1-n1c(C)ccc1-c1ccccc1	1
C=CC[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O)cc13	1
c1ccc(C(OCC[N@@H+]2CCCOCC2)c2ccccc2)cc1	1
CO[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1	0
Nc1ccc(S(=O)c2ccc(N)cc2)cc1	0
[NH3+][C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)[O-]	0
C[N+](C)(C)CCOC(c1ccccc1)c1ccccc1	1
Cc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(Cl)c1	1
Cc1cc2c(cc1CC1=[NH+]CCN1)C1CCC2CC1	1
CN(C)c1ccc(-c2nc(=O)n(C)nc2-c2ccc(N(C)C)cc2)cc1	0
CC(C)(C(=O)c1cccnc1)c1cccnc1	0
O=C1c2ccccc2C(=O)c2c1cn1c2Cc2ccccc2C1	0
c1ccc2cc([C@@]34C[NH2+]C[C@@H](CO3)O4)ccc2c1	1
C=C1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5	1
O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	0
Nc1c(Cl)cc(CC2=[NH+]CCN2)cc1Cl	1
O=[N+]([O-])c1ccc(-c2nc(N(CCO)CCO)c3ccccc3n2)o1	0
N=C(N)c1ccc(-c2ccccc2[N+](=O)[O-])o1	0
O=C(c1ccccc1Nc1cc[nH+]cc1)N1CCCCC1	1
Cc1c(-c2cnccn2)ssc1=S	0
C[NH+](C)CCN(Cc1ccccc1)c1nc2ccccc2o1	1
C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O	0
C=CC[N+]([O-])(CC=C)c1nc(N)nc(N)n1	0
C[N@@H+]1CC[C@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@H]1C5	1
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1	1
CC(C)=CCOc1c2occc2cc2ccc(=O)oc12	0
COc1c(C(C)C)oc2cc3oc(=O)ccc3cc12	0
COc1cc(CC2=[NH+]CCN2)cc(OC)c1OC	1
CCC[C@@]1(c2cccc(O)c2)CC[N@H+](C)C[C@H]1C	1
NNc1[nH+]nc(Cc2ccncc2)c2ccccc12	1
C[NH+]1CCC(=C2c3ccccc3CCc3sccc32)CC1	1
CCOC(=O)/C(=C/c1ncc([N+](=O)[O-])n1C)C(C)=O	0
CC(C)OC(=O)C1(c2ccccc2)CC[NH+](C)CC1	1
Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1	0
C=CC[NH+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1	1
CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2	1
C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O	0
Cc1nc(C)c(Cl)c(NS(=O)(=O)c2ccc(N)cc2)n1	0
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC	0
CCS(=O)(=O)C(C)(C)S(=O)(=O)CC	0
C[NH+](C)CCn1nc(Cc2ccccc2)c2ccccc2c1=O	1
CC[NH+](CC)CCOc1cc(C)ccc1C(C)C	1
C[NH+]1CCN(c2nc(C(C)(C)C)cs2)CC1	1
c1csc(C2([NH+]3CCCCC3)CCCCC2)c1	1
O=C1/C(=C\c2cccs2)CCC/C1=C/c1cccs1	0
CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	0
C[N+](C)(CCOc1ccccc1)Cc1cccs1	1
C[NH+](C)CCN(Cc1ccsc1)c1ccccn1	1
Cc1ncc(Cn2c(C)c(CCO)sc2=O)c(N)n1	0
C[N+](C)(C)C1CCC(C(O)(c2cccs2)c2cccs2)CC1	1
O=[N+]([O-])c1ccc(C=NN2CCNC2=S)o1	0
CC(C)(C)[NH2+]C[C@H](O)COc1nsnc1N1CCOCC1	1
CC[NH+](CC)CC(=O)Nc1c(C)cccc1C(=O)OC	1
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1	0
Cc1ccc(/C(=C/C[NH+]2CCCC2)c2ccccn2)cc1	1
Cc1cc(C)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)[N@@H+]3C)c1	1
C[C@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)C(=O)C=C[C@](C)(O)[C@H]21	0
COc1ccc(CN(CC[NH+](C)C)c2nccs2)cc1	1
CCc1cccc2cc([C@@H](O)C[NH2+]C(C)(C)C)oc12	1
Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C(C)(C)C)c1	1
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@]21C	0
C[N@@H+]1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13	1
Oc1cccc([C@]23CCCC[C@@H]2C[N@H+](CC2CC2)CC3)c1	1
CC(=O)Nc1ccc(-c2cc(=O)[nH]nc2C)cc1	0
CNc1nc(Br)cn2ccnc12	0
CCNc1nc(Br)cn2ccnc12	0
Oc1ccc([C@H]2COc3c(ccc(O)c3O)C2)cc1	0
Cc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)on1	0
N#Cc1ccc(Nc2ncnc3c2CC[C@@H]3O)cc1	0
c1ccc2cc(CO[C@H]3C[NH+]4CCC3CC4)ccc2c1	1
COc1ccc2sc3c(c2c1)NCCNC3=O	0
CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)CCC[C@@]3(C)C2C(=O)C1=O	0
COc1cc(/C=C\c2ccc(O)cc2)cc(OC)c1	0
COc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1	0
C[C@H]([NH3+])CN1CCc2ccc(Br)cc21	1
O=S(=O)(c1ccccc1)n1ncc2c(N3CC[NH2+]CC3)cccc21	1
Clc1ccccc1Nc1[nH]c2ccccc2[nH+]1	1
Oc1ccc(-c2nc3cc(O)ccc3o2)cc1	0
N#Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12	0
COc1cccc(-c2csc(-c3cccnc3)n2)c1	0
Nc1nc(-c2ccccn2)c(-c2ccc3ncccc3n2)s1	0
CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O)c3O)C2=O)cc1	0
c1ccc2cc(COC3CC[NH2+]CC3)ccc2c1	1
COc1ccc(O)c(Cc2nccn2C)c1	0
C=CCN(C1=[NH+]CCN1)c1c(Cl)cccc1Cl	1
CNc1nccn2c(Br)cnc12	0
COc1cc(/C=C/c2cc(C)no2)cc(OC)c1O	0
COC(=O)[C@@H](C)c1ccc(-c2ccsc2)cc1	0
COc1ccc(CC[NH2+][C@@H](C)COc2c(C)cccc2C)cc1OC	1
CC(C)[NH2+][C@@H](C)Cc1ccc(I)cc1	1
Cn1c(=O)c2c(ncn2CC2SCCS2)n(C)c1=O	0
Nc1ncnc2c1c(Br)cn2COC(CO)CO	0
C[C@H]([C@](O)(Cn1cncn1)c1ccc(F)cc1F)S(C)(=O)=O	0
CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O	0
CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC	0
C[C@H]1CC(=O)NN=C1/C=C/c1ccc(-n2ccnc2)cc1	0
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F	0
Cc1[nH]c(=O)c(C#N)cc1-c1ccc(C#N)cc1	0
Cn1cnc2c(Nc3ccccc3)ncnc21	0
CCC[N@@H+]1CCC[C@@H]2c3cc(O)ccc3OC[C@H]21	1
Nc1nc2c(ncn2[C@@H]2C=C[C@H](CO)C2)c(=O)[nH]1	0
CC(C)C[NH2+]Cc1cc2cc(S(N)(=O)=O)oc2s1	1
C[C@H]1CC(=O)NN=C1c1ccc2c(c1)C(C)(C)C(=O)N2C	0
[NH3+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1	1
OCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1	1
C1=CC[N@H+](C2(c3cccs3)CCCCC2)CC1	1
CC(C)C(=O)c1c(C(C)C)nn2ccccc12	0
O=C(OC1CCCCC1)[C@H]1O[C@@H]1C(=O)OC1CCCCC1	0
Nc1nc(Cl)c2nnn([C@H]3C=C[C@@H](CO)C3)c2n1	0
C[N@@H+]1CCC[C@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1	1
O[C@H]1CCCc2[nH+]c3ccccc3c(NCc3ccccc3)c21	1
CC(=O)N(O)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O	0
Cc1nc[nH]c1Cc1nc(-c2ccccc2)cs1	0
C[NH+]1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccccc1	1
Cc1cc2c(OC[C@H](O)C[NH2+]C(C)C)cccc2[nH]1	1
C[NH+](C)Cc1ccccc1Sc1cccc(O)c1	1
Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@H](CO)C3)c2n1	0
CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1	1
Cc1c(Cl)nc(N2CC[NH2+]CC2)nc1NC(C)C	1
O=c1[nH]c2ccc(Nc3ccc4[nH]ccc4c3)cc2o1	0
CCC[C@@]1(C2=[NH+]CCN2)Cc2cccc3c2N1CC3	1
Cc1nc2c(=O)n(CC(C)C)c(=O)n(CC(C)C)c2[nH]1	0
O=C(Nc1ccncc1)NN1CC=CCC1	0
CC(C)(C)NC(=O)N[C@@H]1[C@@H](O)c2cc(C#N)ccc2OC1(C)C	0
C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	1
C[C@@H](NC(=S)Nc1ccc(C#N)cc1)C(C)(C)C	0
Cn1cc(OC[C@H](O)C[NH2+]C(C)(C)C)c2ccccc2c1=O	1
COc1cccc(CCc2ccccc2OC[C@H](O)C[NH+](C)C)c1	1
CC(C)(C)c1cc(C(=O)N2CCC[NH2+]CC2)cc(C(C)(C)C)c1O	1
C[C@@H](COc1ccccc1)[NH2+][C@@H](CO)[C@H](O)c1ccccc1	1
Nc1ccc(Sc2cnc(N)s2)cc1	0
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CC[NH+](C)C)O2	1
CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)cc1Cl	1
Cn1nc(-c2cccc(F)c2)n(C)c1=S	0
Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3	0
CCC[N@@H+]1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21	1
NC(=O)c1cc[n+](COC[n+]2ccccc2/C=N/[O-])cc1	1
CCC[N@H+](CCc1cccs1)[C@@H]1CCc2c(O)cccc2C1	1
N#Cc1c2n(c3c(Cl)ncnc13)CCCC2	0
CC(C)Cn1cnc2[nH]c(=O)n(C)c(=O)c21	0
Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12	0
C[NH+](C)CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12	1
CC(C)[NH2+]C[C@@H](O)COc1cccn2nccc12	1
COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)[N@H+](C)CC4)OCO3	1
Oc1ccc2[nH]cc([C@H]3C[NH+]4CCC3CC4)c2c1	1
C[NH+](C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	1
O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC(c2c[nH]cn2)CC1	0
C[C@H]1CC(=O)NN=C1c1ccc2c(c1)Oc1c[nH]nc1N2	0
Nc1nc(=O)n([C@H]2CS[C@@H](CO)O2)cc1F	0
Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21	0
CSc1nnc(-c2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)s1	0
Nc1nc2c(Cc3ccsc3)c[nH]c2c(=O)[nH]1	0
Oc1cc2c(c(Cl)c1O)CC[NH2+]C[C@H]2c1ccccc1	1
C[C@@H](Oc1c(Cl)cccc1Cl)C1=[NH+]CCN1	1
Cc1ccc(S(=O)(=O)n2c(C=O)cc3ccccc32)cc1	0
Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O	0
C=CC[N+]1(C)CCN(c2nc3ccc(O)cc3s2)CC1	1
CS(=O)(=O)Nc1ccc(F)c([C@@H](O)C[NH3+])c1	1
C[C@@H]([NH3+])C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1	1
NC(=[NH2+])c1ccc(N2CCN(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	1
c1ccc(Oc2nncc3ccccc23)cc1	0
C[NH+](C)CC/C=C1\c2ccccc2CSc2ccc(C#N)cc21	1
Cc1cccc(Nc2cc[nH+]cc2S(=O)([O-])=NC(=O)NC(C)C)c1	0
COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1Br	1
CCC[N@@H+]1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1	1
CNc1nc(Br)cn2cc(C#N)nc12	0
C[NH+](C)CCc1c[nH]c2ccc(Cn3cncn3)cc12	1
Cc1ccc2c(c1O)C(=O)c1c(C)cc(O)cc1[C@]2(C)O	0
C[NH+]1CCN(c2cccc(Br)n2)CC1	1
C[C@@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(O)(c2ccccc2)CC1	1
C[C@H](CCc1ccc(C(N)=O)cc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	1
c1ccc(C(Cc2c[nH]cn2)c2ccccc2)cc1	0
Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3	0
Nc1ccn([C@H]2C=C[C@@H](CO)S2)c(=O)n1	0
COc1ccc([C@@H](C[NH+](C)C)C2(O)CCCCC2)cc1	1
CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C	1
N#Cc1ccc([C@H]([C@@H](O)Cc2ccc(F)cc2)n2cncn2)cc1	0
O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21	0
O[C@H](CO/N=C(\Cl)c1cccnc1)C[NH+]1CCCCC1	1
CC1(C)CCC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC1	0
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CC[N+](C)(C)C)O2	1
O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21	0
COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1	0
NC(=O)c1cc(-c2ccncc2)nnc1Cl	0
CCC[NH+](CCC)[C@H]1CCc2cc3c(cc2C1)OCC3	1
C=C1CC[NH+]([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	1
COc1ccc(OC)c2c1CC[C@@]1(C[NH+]=CN1)C2	1
CC(C)CCNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1	0
C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2	0
Nc1c(Cl)cc(C(=O)NCCC23CCC[NH+]2CCC3)c2c1CCO2	1
Cc1cccc(Nc2ncnc3ccc(N)cc23)c1	0
COc1cc(OC)c(C[N+](=O)C(C)(C)C)c(OC)c1	1
O=c1[nH]c(=O)n(C[C@@]2(CO)C[C@@H]2CO)cc1C=CBr	0
O=C1c2cccc3c2[C@@H](CCC3)CN1[C@H]1C[NH+]2CCC1CC2	1
Cc1ccc2c(c1)-c1c(ccn1C[C@H](C)[NH3+])C2(C)C	1
N#Cc1ccc([C@@H]2CCCc3cncn32)cc1	0
C[N@@H+]1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](O)C=C[C@@H]3[C@H]1C5	1
Cc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1	0
COc1ccc2sc3c(c2c1)SCCNC3=O	0
O=S(=O)(c1cccc2cnccc12)N1CCC[NH2+]CC1	1
Oc1ccc(-c2cncc(-c3ccc(O)cc3)c2)cc1	0
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[N+](C)(C)C)O2	1
Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]	0
CC(=O)c1cc(Nc2cc(C)n(C)c(=N)n2)cc(C(C)=O)c1	0
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	0
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21	1
OCc1ccc(-c2ccc(-c3ccc(CO)s3)o2)s1	0
Cc1csc(NC(=O)C(C(=O)OC(C)C)=C2SCS2)n1	0
Cc1noc(COc2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)n1	1
C[C@@H]([NH3+])C1CCC(C(=O)Nc2ccncc2)CC1	1
C=CC[C@H]([NH3+])c1ccccc1-c1noc2ccccc12	1
O=c1[nH]c2cc([N+](=O)[O-])ccc2n2cnnc12	0
Cn1nc(C(=O)NCC23CCC[NH+]2CCC3)c2ccccc21	1
C[C@@H](NC(=S)Nc1ccc(C#N)nc1)C(C)(C)C	0
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1	1
CC(=O)c1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C	0
Cc1cccc(S(=O)(=O)N(C)[C@H](C)CC[NH+]2CCC(C)CC2)c1	1
Nc1nc(N)c2c(CSc3ccc4ccccc4c3)coc2n1	0
O=C1c2ccccc2C(=O)c2sc(-c3ccco3)nc21	0
Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1	0
Cc1ccc(CC2(O)CC[NH+](CCOc3ccc(O)cc3)CC2)cc1	1
CC(C)c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1	1
CSc1cc(-c2ccc(Br)cc2)oc(=O)c1C#N	0
Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccccc3)oc(=O)c12	0
C[C@H]([NH2+]CCc1ccc(OCC(=O)[O-])cc1)[C@H](O)c1ccc(O)cc1	0
O=[N+]([O-])/C(Br)=C/c1ccc(Br)o1	0
COc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2n1	1
C[N@@H+]1[C@H]2CC[C@@H]1C=C(c1ccc(C(F)(F)F)cc1)C2	1
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)O[C@]13CC=C(C)[C@H]23	0
CC(C)(C)c1cccc(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1O	1
Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1	0
Cn1nccc1[C@H](OCC[NH+](C)C)c1cccs1	1
CC(C)=C1Oc2c(ccc3cc(C)ncc23)C1=O	0
Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1	0
N#C[C@H]1C=Cc2ccccc2N1C(=O)/C=C/c1ccccc1	0
COc1ccc2cc(-c3ccsc3)cnc2c1	0
Cn1ccc2cc(Nc3ccncc3)ccc21	0
C=C1C(=O)c2cc(=O)n(C)cc2C(=O)C1OCC	0
C[NH2+][C@H](Cc1ccccc1N)c1sccc1C	1
COc1ccc(CN2CCN(C(=O)C[NH3+])CC2)c(OC)c1OC	1
S=C(NCCC1=CCCCC1)Nc1ccc(Br)cn1	0
CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n32	0
C[C@@H](CNS(C)(=O)=O)c1ccc(Br)cc1	0
O=C1c2scc(-c3ccc(O)c(O)c3)c2-n2cccc21	0
N#Cc1cccc(-c2ccc(-c3nn[nH]n3)cc2)c1	0
C[C@@H]([NH3+])Cc1n[nH]c2ccc(Br)cc12	1
CC(C)c1cc(I)cc(C(C)C)c1O	0
Fc1ccc(Nc2nc(-c3ccncc3)cs2)cc1	0
O=C1Nc2cc(Cl)c(Cl)cc2N2CC[NH2+]C[C@@H]12	1
CCOC(=O)c1cnc(C[NH3+])c2c(OC)cc(OC)cc12	1
NC(=O)c1cnc2n1CCc1ccccc1C21CC[NH2+]CC1	1
C[NH+](C)Cc1ccc(-c2[nH]c3cccc4c3c2CNC4=O)cc1	1
CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(C#N)cc2)cc1	0
[O-][n+]1cccc(/C(Cl)=N/OC[C@H](O)C[NH+]2CCCCC2)c1	1
O=C(Oc1ccc(Br)cc1)N1CC[NH+]2CCC1CC2	1
CC(C)(C)c1s[nH]c(=O)c1C[C@H]([NH3+])C(=O)[O-]	0
Brc1cscc1Cc1c[nH]cn1	0
[NH3+]CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1	1
NC(=[NH2+])c1cc2c(Nc3ncccn3)cccc2s1	1
N#Cc1c(N)cccc1S(=O)(=O)c1cc(Cl)cc(Cl)c1	0
O=c1cc(-c2ccncc2)oc2c1ccc1ccccc12	0
CC(C)[C@@](O)(c1cccc(-c2ccc(F)cc2)c1)c1c[nH]cn1	0
CN1Cc2cccc3scc(c23)S1(=O)=O	0
C[C@@H]([NH3+])Cc1cn(C)c2ccc3c(c12)CCCO3	1
CCc1cc2c(ccc3cnn(C[C@H](C)[NH3+])c32)o1	1
C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1	1
Cc1cc2c(o1)c(C)cc1c(CO)cc(=O)n(C)c12	0
Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@H](CO)O3)c2n1	0
CC(C)(C)OC(=O)N1Cc2[nH]nc(N)c2C1	0
C[C@@H]1Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)O1	0
COc1ccc(/C=C\c2cc(OC)cc(OC)c2)cc1	0
Oc1cccc(Nc2ccc(Nc3cccc(O)c3)nn2)c1	0
COc1ccc2c(c1)S(=O)(=O)N=C(NC(C)C)N2	0
Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1	0
C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	1
Cc1[nH]c2ccc(Cl)cc2c1C1=CC[NH2+]CC1	1
CC(C)N1C(=O)[C@H]2Cc3[nH]cnc3CN2C1=O	0
c1ccc(Cn2c(CNc3cc[nH+]cc3)nc3ccccc32)cc1	1
O=S1(=O)N[C@H](C(F)(F)F)Nc2ccccc21	0
COc1c(C)cnc(CSc2nnnn2C)c1C	0
O=Cc1ccc(-c2ccc(-c3cccs3)s2)s1	0
Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1	0
C[C@@H](c1ccc(-c2ccccc2)o1)N(O)C(N)=O	0
CC1(C)C=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc21	0
COc1ccc(Cc2c[nH+]c(N)nc2N)c(OC)c1	1
CC1(C)C=C(n2ccccc2=O)c2cnccc2O1	0
Cc1nc(N2CC[NH+](C)CC2)nc2c1CCCC2	1
O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1C[NH+]2CCC1CC2	1
CCCN(c1cc[nH+]cc1)n1cc2ccccc2n1	1
CCCN(c1cc[nH+]cc1)n1ncc2ccccc21	1
O[C@H](c1ccc(F)cc1)C1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1	1
OCC[C@]12[NH2+][C@H](Cc3ccccc31)[C@@H]1CCCC[C@@H]12	1
NC(=[NH2+])NCc1nc(-c2c[nH]c3ccccc23)cs1	1
NC(=[NH2+])Nc1ccc(C(=O)Nc2cnccn2)cc1	1
NC(=[NH2+])Nc1ccc(C(=O)Nc2ncccn2)cc1	1
COc1ccc(-c2csc(=S)s2)cc1	0
C[NH2+]Cc1ccccc1Sc1ccc(OC)cc1	1
N#Cc1cccc(NC(=S)c2ccccn2)c1	0
CC[NH2+][C@H]1CCCc2nc3ccccc3c(N)c21	1
CC1(C)C(=O)Nc2cc(C(=O)Nc3ccncc3)ccc21	0
Cc1cc(O)ccc1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C	0
COc1ccc2c(c1)O[C@H]1c3ccc(O)cc3OC[C@@H]21	0
C[C@H](c1cccnc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	0
CCC[N@@H+]1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	1
C[NH2+]Cc1nc(-c2cn(C)c3ccccc23)no1	1
Cn1cc(-c2noc(C[NH+](C)C)n2)c2ccccc21	1
Cn1cc(-c2noc(C[N+](C)(C)C)n2)c2ccccc21	1
Cn1cc(-c2noc([C@H]3CCC[N+](C)(C)C3)n2)c2ccccc21	1
[NH3+]CC1CCC(C(=O)Nc2ncccc2O)CC1	1
Cc1cc(NC(=O)C2CCC(C[NH3+])CC2)ccn1	1
Cc1ccc(C)c(COc2ccc3c(C)c(C)c(=O)oc3c2)c1	0
Cc1cc(=O)oc2cc(OCc3ccc(C(C)C)cc3)ccc12	0
FC(F)(F)c1cnc(N2CC[NH2+]CC2)c(Cl)c1	1
O=C1c2ccccc2-c2c1c(C[NH+]1CCCCC1)c(O)c1ccccc21	1
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CC[N+](C)(C)C)O2	1
CC(C)(C)c1cc(-c2nnc(N)s2)cc(C(C)(C)C)c1O	0
CC(C)Cc1ccc([C@H](C)NC(=O)NO)cc1	0
CC[NH+]1CCN(c2ccc(C(=O)OC)cn2)CC1	1
CCOC(=O)c1ccc(N2CC[NH+](C)CC2)nc1	1
COC(=O)c1ccc(N2CCC[N@H+](C)CC2)nc1	1
Cc1cccc2c1C(=O)N(C)[C@]21CC(=O)NC1=O	0
C[C@@H](NC(=S)Nc1cccc(C#N)c1)C(C)(C)C	0
c1ccc(C(CNC2=[NH+]CCN2)c2ccccc2)cc1	1
c1ccc(C(CCNC2=[NH+]CCCN2)c2ccccc2)cc1	1
c1ccc(C(CNC2=[NH+]CCCCN2)c2ccccc2)cc1	1
NC(=[NH2+])NCc1nc(-c2ccccc2F)cs1	1
Cc1ccccc1CNc1[nH+]ccc2ccccc12	1
C[C@H](Nc1[nH+]ccc2ccccc12)c1ccccc1	1
Cc1ccc(C(=O)Nc2c(C)cccc2C)cn1	0
COc1cccc2c(NCc3ccco3)cc(C)[nH+]c12	1
Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc21	1
CC(C)(C)c1ccc(OC(=O)c2cnccn2)cc1	0
CC1(C)OC(/C=C/c2ccnc3ccccc23)=CC1=O	0
Fc1ccc(OCC2CC[NH+](CC3CC3)CC2)cc1	1
O=[N+]([O-])c1ccc(OCC2CC[NH+](CC3CC3)CC2)cc1	1
C=CC[N@H+]1CC[C@H]2c3cccc(OC)c3CC[C@@H]21	1
CC(C)[NH2+]C[C@@H](O)COc1ccc(CC(N)=O)cc1	1
COc1c(C)cnc(CSc2nc3c(C)ccnc3[nH]2)c1C	0
CNS(=O)(=O)Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1	1
Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1	0
CS(=O)(=O)Nc1ccc(-c2ccc(N)cc2)cc1	0
O=c1c2cccc3c2c(cn1[C@@H]1C[NH+]2CCC1CC2)CCC3	1
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	0
CC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O	0
CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(C)=O	0
CC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(C)=O	0
c1ccc(C[NH+]2CCC3(CCc4ccccc43)CC2)nc1	1
c1coc(C[NH+]2CCC3(CCc4ccccc43)CC2)c1	1
Fc1ccc(OCC2CC[NH+](Cc3ccncc3)CC2)cc1	1
Cc1cc(O)cc2cc3c(c(O)c12)C(=O)CC[C@@H]3O	0
C[NH+](C)Cc1ccccc1Sc1ccccc1Cl	1
CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CCCCC2=O)[C@@H]1O	0
Nc1nnc(-c2ccc(N)c(Cl)c2Cl)c(N)n1	0
CC[NH+](CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1	1
C#Cc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1	0
C[NH2+]Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	1
CC[NH2+][C@H](Cc1ccccn1)c1sccc1C	1
CC(=O)N(C)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O	0
C#Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O	0
c1ccc2c(c1)CC([NH+]1CCN(c3cccc4c3OCCO4)CC1)C2	1
COc1cc([C@H](C)[NH2+]C2CCC(O)CC2)cc(OC)c1OC	1
Nc1ccc2oc(=O)ccc2c1I	0
C[N@@H+]1CCC[C@H]1Cc1c[nH]c2ccc(Br)cc12	1
Cn1ccc2c(NC(=O)Nc3cccnc3)cccc21	0
CN1C(=O)c2ccc(Br)cc2[C@]2(CC(=O)N2)C1=O	0
CSc1ccc(O[C@@H](CC[NH+](C)C)c2ccccc2)cc1	1
Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)sn1	0
Cn1ccc2cc(NC(=O)Nc3cncnc3)ccc21	0
C[NH+]1CCC(c2ccsc2)(C(C)(C)O)CC1	1
O=C1NC(=S)NC1=Cc1ccc(O)c(Br)c1	0
Cc1c(C)c2c(c(C)c1O)[C@@H](C[N+](C)(C)C)C(C)(C)O2	1
O=C(CC1CCCCC1)N1CCC(c2c[nH]cn2)CC1	0
NC(=[NH2+])c1cc2c(I)cccc2s1	1
CCc1cnc2c(=O)[nH]c3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12	0
O[C@@H](CN1C2=[NH+]CCN2c2ccccc21)c1ccccc1	1
C1=C(c2cc3ccccc3s2)C2CC[NH+]1CC2	1
C1=C(c2nc3ccccc3s2)C2CC[NH+]1CC2	1
COc1nn(C[C@H](C)[NH3+])c2c1ccc1occc12	1
Cc1cc(O)cc2c1C(=O)c1c(ccc(CO)c1O)[C@]2(C)O	0
CN(C)c1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)[N@@H+](C)CC3	1
O=c1[nH]c2cc(Cl)c(-n3cccc3)cc2[nH]c1=O	0
C[NH+](C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12	1
C[NH+](C)CC[C@]1(C2=CCCC2)CC/C(=C/c2ccc(Cl)cc2)C1=O	1
O=c1[nH]c2c(n3ccnc13)Cc1cc(-n3ccnc3)ccc1-2	0
C[NH+](C)CCNc1cc(-c2ccco2)nc2ccccc12	1
FC(F)(F)c1ccccc1COCC1(c2ccccc2)CC[NH2+]CC1	1
c1ccc(COCC2(c3ccccc3)CC[NH2+]CC2)cc1	1
COc1ccc2c3c1O[C@@H]1C[C@H](O)C=C[C@@]31CC[N@@H+](C)C2	1
COc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1C(C)(C)C	1
O=c1[nH]c2ccccc2cc1C[N@H+]1CC=C(c2ccccc2)CC1	1
O=c1[nH]c2ccccc2cc1C[N@@H+]1CCc2ccccc2C1	1
CS(=O)(=O)Nc1cc2c(cc1Sc1cccs1)C(=O)CC2	0
OCC[N@@H+]1CCCN(c2nc3ccccc3o2)CC1	1
CC1(C)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1	1
c1ccc2c(c1)CC[N@@H+](Cc1cc3ccccc3[nH]1)C2	1
O=C(Nc1cccnc1)c1cc(=O)c2ccccc2o1	0
COc1ccc2c(c1)-c1c(ccn1C[C@H](C)[NH3+])C2	1
C[C@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	1
Nc1cc(Cl)c(NC2=[NH+]CCN2)c(Cl)c1	1
COc1ccc2c3c1O[C@@H]1C(=O)CC[C@]4(O)[C@@H](C2)[N@H+](C)CC[C@]314	1
Cc1ccc(N(CC2=[NH+]CCN2)c2cccc(O)c2)cc1	1
COc1cccc(Sc2cccc(N)c2C#N)c1	0
COc1cccc([S@@](=O)c2cccc(N)c2C#N)c1	0
Cc1cc(C)cc([S@@](=O)c2cccc(N)c2C#N)c1	0
COc1cc(C)cc(Sc2cccc(N)c2C#N)c1	0
N#Cc1c(N)cccc1S(=O)(=O)c1cccc(Br)c1	0
COc1ccc2sc3c(c2c1)OCCNC3=O	0
Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C	0
CC[C@](O)(c1cccc(OC)c1)[C@H](C)C[NH+](C)C	1
COc1ccc2ccc3cnn(C[C@@H](C)[NH3+])c3c2c1	1
CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(=O)O2	0
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CC(=O)N[N+](C)(C)C)O2	1
Cc1cn([C@@H]2C[C@@H](O)[C@H](C[N+](C)(C)CCO)O2)c(=O)[nH]c1=O	1
C#Cc1cccc(Nc2ncnc3ccc(N)cc23)c1	0
Nc1ncc([S@@](=O)c2ccc3ccccc3n2)s1	0
CC(=O)Nc1ccc2[nH]cc(C3=CC[N@H+](C)CC3)c2c1	1
c1ccc(Nc2ncnc3[nH]nc(Nc4ccccc4)c23)cc1	0
Fc1cccc2c1CCC(CC[NH+]1CCCC1)=C2	1
COc1ccc(-c2cn3c(n2)sc2ccccc23)cc1	0
O=c1[nH]c2c(n1-c1nc3ccc(F)c(F)c3o1)CCCC2	0
C[N@H+](Cc1ccc(OCc2cccc(F)c2)cc1)[C@@H]1CCNC1=O	1
CCc1c(C)[nH]c(=O)c(N)c1Sc1cc(C)cc(C)c1	0
Cc1cc(C)cc(Sc2c(C)c[nH]c(=O)c2N)c1	0
CC(C)(C)c1cc(/C=C2\CCOC2=O)cc2c1OCC2(C)C	0
Clc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl	1
O=C1NC2(CCCCC2)C(=O)N1c1nccs1	0
C[C@@H](O)CC[NH+]1CCC(Cc2ccc(F)cc2)CC1	1
Cc1ccc(CC2CC[NH+](CC[C@@H](C)O)CC2)cc1	1
CCc1c(Oc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O	0
CC(C)(C)c1cc(C(=O)c2ccoc2)cc2c1OCC2(C)C	0
CC(C)(C)c1cc(-c2cn3ccsc3n2)cc2c1OCC2(C)C	0
Cc1cncc2cccc(S(=O)(=O)N3CCC[NH2+]C[C@@H]3C)c12	1
Brc1csc(Cc2c[nH]cn2)c1Br	0
Cc1ccc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)s1	1
c1ccc(N2CC[NH+](CCNc3ncnc4c3CCCC4)CC2)cc1	1
Cc1ccc(C(=O)c2oc3nc(C)ccc3c2NC(N)=O)c(C)n1	0
O=Cc1ccc(-c2ccc(-c3ccc(CO)s3)s2)s1	0
C[C@@H](Nc1[nH+]cnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1	1
Cc1ccc2c(c1)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O	0
CC(C)(C)c1cc(C=C2C(=O)C=CC2=O)cc(C(C)(C)C)c1O	0
O=C1C(Cl)=C(Nc2ccc(O)cc2)C(=O)c2cnccc21	0
CC(=O)Nc1ncc(SCc2nc(C)c(C)o2)s1	0
Brc1ccc(-c2cn3ccsc3n2)cc1	0
Fc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1	0
Brc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1	0
Nc1nc(N)nc(C23CC4CC(CC(C4)C2)C3)n1	0
CCc1noc(C2CC[NH+](C3CCC4(CC3)OCCO4)CC2)n1	1
CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(C)cc(C)c1	0
CC[C@]1(c2cccc(OC)c2)Oc2ccccc2-n2cccc2C1=O	0
CC[C@]1(c2cccs2)Oc2ccccc2-n2cccc2C1=O	0
CSc1ccc(NC(=O)Nc2ccnc3cccnc23)cc1	0
COc1cc(CCc2ccc(O)c(O)c2)cc(OC)c1	0
CC[NH+](CC)CCSc1ncnc2ccccc12	1
Oc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CC[NH2+]CC1	1
C[NH+](C)CCNC(=O)c1cccc2ccc(-c3ccncc3)nc12	1
CC1(C)C=C(n2ccncc2=O)c2cc(C#N)ccc2O1	0
COc1ccc(OC(=O)N(C)CC[NH+](C)C)cc1	1
Cn1cnc2c(NCCc3ccsc3)ncnc21	0
COc1c(C)cnc(CSc2nccn2C)c1C	0
O=C([C@H]1CSCN1C(=O)/C=C/c1ccccc1)N1CCCC1	0
CC(=O)NCn1cc(-c2ccc(-c3cccs3)cc2)c(=O)o1	0
C[NH+](C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21	1
Fc1cccc(O[C@@H](c2ccccc2)C2CC[NH2+]CC2)c1	1
O=c1c2cc([N+](=O)[O-])ccc2oc2nc3n(c(=O)c12)CCCS3	0
O=c1oc(-c2ccco2)nc2scc(-c3cccs3)c12	0
Brc1cncc(N2CC[NH+]3CCC2CC3)c1	1
O=C(C1CC[NH2+]CC1)N1CCN(c2cccc3[nH]ccc23)CC1	1
C[NH2+]Cc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1	1
C[C@@H](NC(=S)Nc1ccc(Br)cn1)C1CCCCC1	0
Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccnn2)s1	0
N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1	0
Cc1ccc(NC(=S)[C@@H](C#N)c2nc3cccnc3n2C)cc1	0
C[NH+](C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1	1
CC[C@@H]1C[NH2+]CC[C@@H]1c1cccc2ccsc12	1
CC[NH+]1CCC(COc2nc3ccsc3n3cccc23)CC1	1
Nc1cc(N2CCc3ccccc3C2)c2ccccc2[nH+]1	1
c1ccc2c(c1)CN(c1cc[nH+]c3ccccc13)C2	1
COc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1	0
COc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1	0
c1cc(-c2cnc3c(-c4ccsc4)cnn3c2)ccn1	0
Cn1nc2c(c1C(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1-2	0
COc1ccc(-c2cc(C#N)nnc2-c2ccc(OC)cc2)cc1	0
CCOC(=O)Cn1nc(C(F)(F)F)c(Br)c1C	0
CC(=O)N(C)c1ccc(/N=C/c2ccc(C(C)C)cc2)cc1	0
CC(=O)CSc1nc(C(C)(C)C)cc(C)c1C#N	0
CC1(C)CC(N2CN=C(N)N(C#N)C2)CC(C)(C)[NH2+]1	1
S=C1N(CN2CCCCC2)CCN1C[NH+]1CCCCC1	1
CC1(C)CC(NSc2nc3ccccc3s2)CC(C)(C)[NH2+]1	1
S=C(SN1CCOCC1)N1CCOCC1	0
S=C(SNC1CCCCC1)N1CCOCC1	0
S=C(N/N=C/c1c[nH]c2ccccc12)Nc1ccccc1	0
CC(C)Nc1nc(NC(C)C)nc(N(C)C(N)=O)n1	0
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccco1	0
Cc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)o1	0
O=C1SC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccco1	0
Cc1sc(NC(=O)/C=C/c2ccco2)c(C(N)=O)c1C	0
C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2C#N)C1	0
NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2	0
O=C(C[NH+]1CCCCC1)N1c2ccccc2C=Cc2ccccc21	1
CCOC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc(C)c1C	1
S=C(CC(=S)N1CCOCC1)N1CCOCC1	0
O=C(NCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-]	1
O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccco1	0
CSc1nc(N)nc(S[C@@H]2C=CCCC2)c1C#N	0
NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2	0
Cc1cc(C)c(NC(=O)CC[NH2+]C2CCCCC2)c(C)c1	1
Cc1cccc(NC(=S)N/N=C/c2ccc(N(C)C)cc2)c1	0
C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccc(C)cc1	0
Cc1cccc(NC(=S)N=NC(C)c2cccc(N)c2)c1	0
CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(C)c2)cc1	1
Cc1cccc(NC(=S)N/N=C/c2ccccc2)c1	0
CCOC(=O)[C@@]1(c2csc(N)n2)COC(=O)C1	0
CCOC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C	0
CC12CN3CC[N@H+](CC(C3)/C1=N/N=C/c1ccc([N+](=O)[O-])cc1)C2	1
CSc1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1	0
Nc1nnnn1/N=C1\C(=O)Nc2ccc(Br)cc21	0
Nc1nnnn1/N=C/c1cc(Br)ccc1O	0
Nc1nnnn1/N=C/c1c(O)ccc2ccccc12	0
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C#N)c1N	0
N#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N	0
CC[N+](C)(C)C[C@@H](Br)[C@@H](C)Br	1
C[N+](C)(C[C@@H](Br)CBr)c1ccccc1	1
CC(=NNC(=O)c1cccnc1)c1ccc(O)cc1	0
O=C(NCC[n+]1ccc2ccccc2c1)c1ccccc1	1
O=C(c1ccccc1)c1cc[n+](Cc2ccccn2)cc1	1
O=[N+]([O-])c1ccc(Cc2cc[n+](Cc3ccccn3)cc2)cc1	1
C[N+]1(C[C@@H](O)CN2CCCC2=O)CCCCCC1	1
C[N+]1(C[C@@H](Cl)CN2CCCC2=O)CCCCC1	1
C[NH+](C)CCSc1nc2ccccc2c(=O)n1-c1ccccc1	1
Oc1ccc(Br)cc1/C=N/n1cnnc1	0
Oc1c(Br)cc(Br)cc1/C=N/n1cnnc1	0
COc1cccc(C2Nc3cccc4cccc(c34)N2)c1OC	0
O=[N+]([O-])c1ccc(C2Nc3cccc4cccc(c34)N2)cc1	0
CSc1ccc(C=Nn2c(-c3ccccc3)n[nH]c2=S)cc1	0
FC(F)(F)c1ccccc1C=NN1C(=S)N=NC1c1cccnc1	0
CC(C=NN1C(=S)N=NC1c1ccco1)=Cc1ccco1	0
CC[NH+](CC)c1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1	1
Cc1ccc2[nH]c(CC[NH+](C)C)c(CC#N)c2c1	1
CCOc1ccc2c(C)nc(NC3=[NH+]C(C)(C)C=C(C)N3)nc2c1	1
Cc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1Br	0
Cc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)cc1	0
Nc1ncnc2nc(Sc3ncnc4ccccc34)[nH]c12	0
O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccnc1	0
CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccco2)c1	0
N#Cc1c(N)c(C#N)c(-c2ccc(O)cc2)c2c1CCCC2	0
Cc1ccnc(NC(=O)c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c1	0
Cc1cc(C)c(S(=O)(=O)N(CC#N)CC#N)c(C)c1	0
O=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccncc2)cc1	0
O=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)cc1	0
CC(=O)Nc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1	0
N#CCN(CC#N)S(=O)(=O)c1ccc(Br)cc1	0
O=S(=O)(Nc1ccncc1)c1ccc(Br)cc1	0
O=S(=O)(Nc1cccnc1)c1ccc(Br)cc1	0
CC(=O)Oc1ccc(C(=O)Nc2cccc(C)n2)cc1	0
Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1	0
O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(Br)cc1	0
CN(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	0
CC(=O)Nc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1	0
N#CCN(CC#N)C(=O)Cc1ccc(Br)cc1	0
O=C(Cc1ccc(Br)cc1)Nc1nccs1	0
Cc1cc(NC(=O)c2ccc(Br)cc2)no1	0
C/[NH+]=C(\c1ccc([N+](=O)[O-])cc1)N1CCCCC1	1
Cc1cc(C)n(/N=C/c2ccc(Br)s2)c(=O)c1C#N	0
N#Cc1c(NC(=O)c2c(F)cccc2F)sc2c1CCCC2	0
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2F)Oc2ccccc21	0
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)n1	0
Cc1ccc(NC(=O)CSc2nncn2C)cc1	0
CC[C@@H](C)c1ccc(NC(=O)CSc2nncn2C)cc1	0
CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(C)s2)cc1	0
O=C(Oc1ccc(C2SCCS2)cc1)c1ccc([N+](=O)[O-])cc1	0
Cc1cc(C)cc(NC(=O)CSc2nnc(C)s2)c1	0
Cc1cc(C)cc(NC(=O)CSc2nncn2C)c1	0
Cc1ccc(NCc2cc(Br)ccc2O)[nH+]c1	1
Nn1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O	0
CC(=O)Nc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1	0
Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1	0
Cc1c(C(=O)N2CCCCC2)sc2[nH]cnc(=O)c12	0
COc1ccc([C@@H]2C=C(c3ccccc3)NC(=O)[C@@H]2C#N)cc1	0
C[NH+](C)CCCN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1	1
COc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NC(=[NH2+])N2)cc1	1
CN(/N=C/c1ccccc1F)C1=NS(=O)(=O)c2ccccc21	0
COC(=O)c1nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Cl	0
O=[N+]([O-])c1cccc(-c2ccc(/C=N/n3cnnc3)o2)c1	0
O=S(=O)(Nc1ccccc1Br)c1ccccc1	0
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc12	0
Cc1cc(C)c(N2C(=O)c3ccc(Br)cc3C2=O)c(C)c1	0
Cc1ccc(-c2nnc3s/c(=C\c4ccc(C)o4)c(=O)n23)cc1	0
CCOc1ccc(NCn2nc(-c3ccco3)oc2=S)cc1	0
CCOC(=O)c1c(N)sc(C(=O)N(CC)CC)c1C	0
CCOc1ccc(/C=C2\C(=O)ON=C2c2ccc([N+](=O)[O-])cc2)cc1	0
CN(C)c1ccc(/C=C2/C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1	0
COc1ccc(/C=C2\C(=O)ON=C2c2cccc3ccccc23)cc1	0
O=C1ON=C(c2ccco2)/C1=C/c1ccc([N+](=O)[O-])cc1	0
CC(C)[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1	1
O=[N+]([O-])c1ccc(-[n+]2nc(-c3ccccc3)nn2-c2ccccc2)cc1	1
CC(=O)Nc1ncc(C[NH+]2CCC(C)CC2)s1	1
N#Cc1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N	0
O=c1[nH]n(-c2nn3nnnc3c3ccccc23)c(=O)c2ccccc12	0
CCC(CC)[C@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)O[C@@H]2CCCC[C@@H]21	0
CCc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1	0
Nc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCCC3	0
Nc1nonc1-c1noc(-c2cccc(Br)c2)n1	0
Cc1cc(=O)oc2c1ccc1occ(Nc3cccc([N+](=O)[O-])c3)c12	0
Nc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)CCCCC3	0
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O	0
Cc1cc(C)n(-c2nncn2/N=C/c2cccc([N+](=O)[O-])c2)n1	0
O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1	1
CSc1cccc(NC(=O)c2cncc(Br)c2)c1	0
Nc1nonc1-c1noc(-c2cc(F)c(F)cc2Cl)n1	0
Cc1nc2sc(-c3ccc([N+](=O)[O-])o3)c(N)c2c(C)c1Cl	0
Cc1nc2sc(-c3ccc([N+](=O)[O-])cc3)c(N)c2c(C)c1Cl	0
Cc1nn(-c2nc3nc4ccccc4c-3n[nH]2)c2c1C(=O)CC(C)(C)C2	0
[NH3+][C@@H](CC(=O)[O-])c1cccn1-c1ccc([N+](=O)[O-])cc1	0
CCOc1cc2c(cc1OCC)[C@@H]([C@@H]1CC=CCC1)[NH2+]CC2	1
Fc1nc(F)c(F)c(SC(=S)N2CCOCC2)c1F	0
O=C(Nc1cccc([N+](=O)[O-])c1)c1scc2c1CCCC2	0
Cc1nc(S(=O)(=O)n2ccnc2)c(C#N)c(C)c1Cl	0
CCO[C@@]1(O)C[C@H](n2cc([N+](=O)[O-])nc2C)[C@H]2CO[C@@H]1O2	0
CC[NH+](CC)CCc1c(C)c2ccc(O)cc2oc1=O	1
O=S(=O)(c1cccc2ccccc12)n1cnc2ccccc21	0
C#CC(C)(C)NS(=O)(=O)c1cccc2nsnc12	0
Cc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-]	-1
COc1ccc(N2C(=O)C=C(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	0
CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccco2)c1C#N	0
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Br)cn1	0
c1ccc(-n2cccc2C[NH2+]C2CCCCC2)cc1	1
O=C1c2ccc3c4c(ccc(c24)C(=O)N1N=C1CCCCC1)CC3	0
Cc1nc(NC(=O)c2ccccc2)sc1-c1ccc([N+](=O)[O-])o1	0
N#Cc1c(NC(=O)CSC2=NCCS2)sc2c1CCCC2	0
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCOc1ccccc1	0
O=C(Nc1nnc(C2CCCCC2)s1)C1CCCCC1	0
CSC1=[NH+]C(C)(C)C[C@@](C)(c2ccc(O)cc2O)N1	1
O=C(c1cc2ccccc2oc1=O)n1cc([N+](=O)[O-])cn1	0
CCOC(=O)C1=C(C[NH+](CC)CC)N(C)C(=O)N[C@@H]1c1ccccc1	1
C1=C(c2cccs2)CC(c2cccs2)=NN=C1c1cccs1	0
CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1c(C)nn(C)c1C)C2=O	0
N#Cc1c(NC(=O)c2ccc(Br)o2)sc2c1CCC2	0
O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	0
O=c1[nH]nc(-c2cccc3ccccc23)c2cn(-c3ccccc3)nc12	0
O=c1oc2c(-c3ccc(SC(F)F)cc3)cc(O)cc2s1	0
C[C@@H]([NH2+]CCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1	1
C=C[C@]12C[N@@H+](C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)Nc4ccccc41)[C@@H]32	1
C[NH+](C)Cc1c(N)cc2ccccc2c1-c1ccccc1	1
O=C1NC(=O)c2cc(-c3ccc(/C=N/n4cnnc4)o3)ccc21	0
Cc1cc(=O)oc2ccc(Oc3ccc(C#N)cc3[N+](=O)[O-])cc12	0
O=C(C[C@@H](CO)[NH2+]Cc1ccccc1)NCc1ccccc1	1
C=C(C)[C@@](C)(C#CC[NH+]1CCCCC1)OC(C)=O	1
Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2c1C(=O)CC(C)(C)C2	0
CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccco2)c1C	1
CN(C(=O)c1cc[nH]n1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
CSc1nc(C(C)C)ccc1CNC(=O)C[C@@H](C)c1ccccc1	0
CC(=O)c1c(C)oc2ccc(OCC[NH+]3CCCCC3)cc12	1
CC1(C)CC(N2C(=O)OC3(CCCCC3)[C@@]2(C)O)CC(C)(C)[NH2+]1	1
COc1cc2c(cc1OC)[C@@H](c1ccccc1O)[NH2+]CC2	1
Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CN1CCCCC1	1
COc1ccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c(O)c1	1
CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)ccc1O)[NH2+]CC2	1
Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CC[NH3+]	1
CCOc1cc2c(cc1OCC)[C@@H](c1cccc(OC)c1O)[NH2+]CC2	1
Fc1ccc(Sc2c(F)c(F)nc(N3CC[NH2+]CC3)c2F)cc1	1
CCOc1cc2c(cc1OCC)[C@@H](C(CC)CC)[NH2+]CC2	1
CC[NH+](CC)CC[C@@H]1SCC(=O)N1Cc1ccccc1[N+](=O)[O-]	1
O=C(NN1C(=O)c2ccc(Br)cc2C1=O)c1ccncc1	0
CC(=O)c1cc(CSC2=[NH+]CCN2)cs1	1
Cc1nc(N)sc1-c1csc(Nc2ccccc2Cl)n1	0
CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	0
Cc1ccccc1C(O)(C(=O)Nc1cccc[n+]1[O-])c1ccccc1C	0
Cc1[nH+]c2cc(NCc3nc4ccccc4n3C)ccc2n1C	1
CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1cccs1	0
O=Cc1ccccc1OCc1ccccc1Br	0
CSc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1	0
CCOC(=O)Cc1c(C)nc2c(C#N)c(C)nn2c1C	0
Cc1cccc2[nH+]c(Cn3ccccc3=O)cn12	1
COc1ccc2[nH+]c(C)cc(N3CCOCC3)c2c1	1
O=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)nc1	0
CC(C)C(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12	1
O=C(CCN1C(=O)CCC1=O)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12	1
C1CCC(OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	1
Nc1cccc(OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1	1
O=C1CCC(=O)N1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	1
O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccncc1	1
Cc1sc(NC(=O)c2ccc(Br)o2)c(C#N)c1C	0
CC(C)OC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](C)C2	0
Cc1sc(NC(=O)c2ccc(Br)o2)c(C(N)=O)c1C	0
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(N)=O)C1	0
O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2c1cnn2-c1ccccc1	0
CN(C)C(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2	0
CCc1ccc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1	0
CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)O2)cc1	0
CCc1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1	1
CCCc1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1	1
Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1	0
O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1	0
CCc1ccccc1Nc1nc(-c2c(C)nc3sccn23)cs1	0
O=C(C[NH+]1CCCCC1)Nc1ccc(OC(F)(F)Cl)cc1	1
CN1C(=O)C[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O	1
Cc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)cn1	0
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OC(F)(F)F)cc1	0
Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CC[N@@H+](C)C1	1
N#CC1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1	1
CCOC(=O)c1c(C[NH2+]C(C)C)oc2ccc(OC)cc12	1
O=C(C[NH+]1CCCCC1)Nc1cccc(Cl)c1	1
C[C@H]1C[N@H+](C)[C@H](C)C[C@@]1(O)CC(O)(c1ccccc1)c1ccccc1	1
CCC(=O)O[C@]1(Cc2ccc(CC)cc2)C[C@@H](C)[N@H+](C)C[C@H]1C	1
Brc1ccc([C@@H]2CSc3c4ncnc-4ncn32)cc1	0
Cc1cc(C)n2nc(S(=O)(=O)N[C@@](C)(C#N)C(C)C)nc2n1	0
CN(C(=O)c1ccncc1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
CC[C@@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O	1
CN(C(=O)c1ccco1)C1CC(C)(C)[NH2+]C(C)(C)C1	1
CC1(C)CC(NC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)[NH2+]1	1
CN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O	1
CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N(C1CC1)[C@@]2(C)O	1
CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N(CCO)[C@@]2(C)O	1
COC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N	0
CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N(Cc1ccccn1)[C@@]2(C)O	1
CCOC(=O)c1sc(C(=O)OCC)c2c1OCCO2	0
CN(C(=O)c1ccco1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
CN(C(=O)c1ccc(-n2cnnn2)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1	1
CC[NH+](CC)CCN1C(=O)Cn2c(C)c(C)c3cccc1c32	1
CC1(C)CC(Nc2c(Cl)cc(Cl)c[n+]2[O-])CC(C)(C)[NH2+]1	1
CCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O	1
N#Cc1c(/N=C/c2ccc(Br)cc2)sc2c1CCCC2	0
Cc1nn(Cc2ccc(C(=O)n3cc(Cl)cn3)o2)c(C)c1Cl	0
CCOC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3	0
COCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	1
Cc1ccc(-c2ccc(/C=N/n3cnnc3)o2)c(Br)c1	0
CC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1	0
Cc1cc(C=O)c(C)n1-c1ccc(Br)c2ccccc12	0
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3ccco3)ccc12	0
C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC1(Br)Br	0
Cc1cc(C)cc(Oc2coc3c(C[NH+](C)C)c([O-])ccc3c2=O)c1	0
Cc1nnc(NC(=O)COc2ccc(Br)cc2)s1	0
Cc1ccc2[nH+]c3c(c(Nc4ccc5c(c4)OCCO5)c2c1)CCC3	1
OC(c1cccs1)(c1cccs1)[C@@H]1C[NH+]2CCC1CC2	1
Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccccc2)c2ccccc12	1
Cc1sc2ncnc(Oc3ccc4c(C)cc(=O)oc4c3)c2c1C	0
Cc1nc(N2CCC[N@@H+](C)CC2)c2c3c(sc2n1)CCC3	1
NC1=[NH+]NC2=C(c3ccccc3C(F)(F)F)NNN12	1
Oc1cccc([C@@H](c2ccc3cccnc3c2O)[NH+]2CCCC2)c1	1
COc1ccc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc1	1
Cc1conc1N[C@@H](c1cccs1)c1ccc2cccnc2c1O	0
Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)no1	0
Oc1c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)ccc2cccnc12	1
C1=NC2=[NH+]C3=C(CCc4ccccc43)[C@@H](c3cccs3)N2N1	1
Cc1ccc(-c2c(C)sc3ncnc(N4CC[NH+](C)CC4)c23)cc1	1
C[N@@H+]1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1	1
CCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	0
CC(=O)N(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1	0
Cc1c(NC(=O)c2ccc(Br)o2)cccc1[N+](=O)[O-]	0
Cc1cc(C)n(C(=O)COc2ccc([N+](=O)[O-])cc2)n1	0
Cc1cc(Br)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	0
Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1	0
Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1	0
CC(=O)N(C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	0
Cc1cc(C)cc(NC(=O)COc2ccc(Br)c(C)c2)c1	0
Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1Br	0
O=C(Oc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-]	0
O=C(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	0
NC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	0
N#Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2	0
O=[N+]([O-])c1ccccc1-n1nc(-c2ccccc2)cc1-c1ccccc1	0
CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	0
CCN(CC)c1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c(O)c1	0
S=C(Nc1ccc(Br)cc1)Nc1cccnc1	0
O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(Br)o2)o1	0
COc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1	0
O=C(CCNc1ccc(Br)cc1)c1cccs1	0
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1	1
Cc1ccc(S(=O)(=O)C[C@@H](C)[NH+]2CCCCC2)cc1	1
CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O	0
Cc1c(Br)cc(-c2nnco2)cc1Br	0
C=C[C@@H](C)n1c(Br)nc2c1c(=O)[nH]c(=O)n2C	0
CCOC(=O)C(C#N)=NNc1ccc(Br)cc1	0
C=C(C)CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	0
CC(C)CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	0
Cc1cc(C)nc(SCC(=O)Nc2cc(C)on2)n1	0
OC1CC[NH+](Cc2cc(Br)cs2)CC1	1
CCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C	0
CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC	0
CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C	0
C[C@@H]1SC(/N=C/c2ccc(N(C)C)cc2)=NNC1=O	0
CC(C)CCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O	0
C=C[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC	0
Cc1[nH][nH]c(=O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	0
Cc1sc2ncnc(Nc3ccc(Br)cc3)c2c1C	0
Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1	1
CC1(C(Cl)(Cl)Cl)C=CC(=[NH+]c2ccccc2)C=C1	1
O=C(c1cc2cccc([N+](=O)[O-])c2oc1=O)N1CCOCC1	0
CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O	0
Cc1ccc(Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)cc1	0
CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1cccs1	0
OC1CC[NH+](Cc2ccccc2Br)CC1	1
OC1CC[NH+](Cc2ccc(Br)cc2)CC1	1
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnnn2C)c(C)c1	0
N#Cc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2F)cc1	0
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1	0
Cn1c(/N=C/c2cc(Br)ccc2O)nc2ccccc21	0
Oc1ccccc1[C@@H](Nn1cnnc1)c1ccc(Br)cc1	0
O=C(C[C@@H]1[NH2+]C=Cc2ccccc21)c1cccs1	1
CNc1nc(-c2ccccc2)[n+](-c2ccccc2)s1	1
CC(=O)Nc1n[n+]2c(C)cc(C)nc2c2ccccc12	1
CCN(CC)c1nc(NC(C)(C)C)[nH+]c(NC(C)(C)C)n1	1
CC(=O)Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	0
O=C(Oc1ccc(C2SCCS2)cc1)c1cccc([N+](=O)[O-])c1	0
CSc1sc(SC)c(Br)c1Br	0
Cc1cc(C)c([N+](=O)[O-])c(C)c1C1=C(C#N)C(=N)C(C#N)=C2CCC[C@H]21	0
Cn1c(-[n+]2ccccc2)c(C=O)n(-c2ccccc2)c1=O	1
N#Cc1c(SCC(N)=O)nc2c(c1-c1ccco1)CCCC2	0
CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	0
CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1	0
CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1	0
CC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1	1
CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1	1
CSc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1	1
CCOC(=O)c1sc(NC(=O)C(C)(C)C)c(C(=O)OCC)c1C	0
CCCn1c(=O)c2c(nc(N3CC[NH2+]CC3)n2CCC)n(C)c1=O	1
CCC(=O)Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	0
Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	0
CC(C)OC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CC[C@@H](C)C2	0
CC(=NNC(=O)c1ccc(Br)cc1)c1ccco1	0
CCN(CC)c1ccc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)c(O)c1	0
Cc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1	0
Cc1cc(C)c(COCc2c(C)cc(C)c(C=O)c2C)c(C)c1C=O	0
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	0
CC[n+]1ccc(/C=C/c2cccc(OC)c2OC)cc1	1
CC[n+]1ccc(/C=C/c2ccc(OC)cc2OC)cc1	1
Oc1ccc2ccccc2c1C[NH+]1CCCCCC1	1
COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C)CC3)C2=O)cc1	1
Cn1c(=O)[nH]c(=O)c2c1nc(NCC[NH+](C)C)n2Cc1ccccc1	1
CCO[C@@H](CBr)[N+](C)(C)Cc1cccc2ccccc12	1
CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1	0
CCN1C(=Cc2cccc[n+]2C)C=Cc2ccccc21	1
CC[n+]1ccc(/C=C/c2ccc(OC)c(OC)c2OC)cc1	1
CC1=C([NH2+]N(C)c2cccc(Cl)c2)C(=O)N(C2CCCCC2)C1	1
CC[C@@H]1C[N+]2(C)CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O	1
CCOC(=O)COc1cc2oc(-c3ccccc3)cc(O)c-2c(=O)c1	0
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC2	1
CCN(CC)c1ccc(-c2n(C)c3ccccc3[n+]2C)cc1	1
CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc1	0
Nc1oc2cc3ccccc3cc2c(=O)c1-c1nc2ccccc2s1	0
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccncc3)cc2)cc1	0
CN(C)c1ccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)cc1	1
CN(C)c1ccc([N+](=O)C2=C3C=CCC=C3c3ccccc32)cc1	1
CC(=O)O[C@@]1(C)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	0
CC(C)(C)c1cc(C[NH+]2CCC(O)CC2)cc(C(C)(C)C)c1O	1
ClC1=CC[C@@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@H]3[C@@H]2C1	1
Cc1cc(=O)oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc12	0
Cc1ccc(OC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1	0
Cc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1	0
CN(C)C(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1	0
CC(=O)c1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	0
FC(F)(F)Oc1ccc(/N=C/c2ccc(Br)cc2)cc1	0
Cc1c(/N=C/c2cc(Br)ccc2O)cccc1[N+](=O)[O-]	0
CSc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1	0
C=C(C)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N	0
N#Cc1c(-c2cccs2)cc(-c2ccc3ccccc3c2)[nH]c1=S	0
C(=N/c1cccc2c(/N=C/c3cccs3)cccc12)\c1cccs1	0
C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	0
Cc1ccc(NC(=S)N/N=C/c2ccc(Br)cc2)cc1	0
CCN(CC)c1ccc(/N=C/c2ccc(Br)s2)cc1	0
C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc2ccccc2c1	0
Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1	0
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)o1	0
COC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc(C)c1C	0
CC(=O)Nc1ccc(-c2cn3nc(-c4ccc(C)cc4)sc3n2)cc1	0
Cc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12	0
Cc1ncc([C@@H]2CCC[N@H+]2C)c2c1[nH]c1ccccc12	1
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2nccs2)cc1	0
O=C(c1cccs1)c1no[n+]([O-])c1C(=O)c1cccs1	0
c1nc(NCN2CCCCC2)c2ncn(CC[NH+]3CCCCC3)c2n1	1
CCn1c(C)[n+](CC)c2cc(S(=O)(=O)C(F)(F)F)ccc21	1
CC(=O)Nc1ccc(C)c(C(O)(C(F)(F)F)C(F)(F)F)c1	0
Cc1cccc(N2CCC(/[NH+]=C/N3CCCCC3)=N2)c1	1
O=[N+]([O-])c1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1	0
O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc2ccccc2c1	0
Cc1ccc(/N=C/c2ccc(C#N)cc2)cc1I	0
CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(C[NH+](C)C)c12	1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)C2)cc1	1
O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccccc1	1
Fc1ccc(NC(=S)Nc2ccc(Br)cc2)c(F)c1	0
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1O	0
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1	1
CC(C)c1nccn1S(=O)(=O)c1cccc(Cl)c1Cl	0
CN1C(=O)C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1=O	1
COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCC4)[C@H]3C2=O)cc1	0
CC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@@H+](C(C)(C)C)C1	1
CCOc1cccc(N2C(=O)C[C@H]([NH+]3CCCCC3)C2=O)c1	1
CC1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1	1
O=C1c2ccccc2C(=O)N1[C@H]1CCC[N@@H+]2CCCC[C@@H]12	1
Cn1c(=O)n(C)c2cc(/N=C/c3cccc([N+](=O)[O-])c3)ccc21	0
Cc1cccc(NCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	0
COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1	0
Cc1cc(C)c(NC(=O)CC[NH+]2CCCCC2)c(C)c1	1
COc1ccc(/C=N/c2nc3ccc(Br)cc3s2)cc1	0
O=c1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc12	0
CC(=NNC(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1	0
Cc1cc(C(c2ccc(O)c(C)c2)C(Cl)(Cl)Cl)ccc1O	0
CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1	0
O=C(C[NH+]1CCCCC1)Nc1ccc(Br)cc1	1
O=S(=O)(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1	0
O=C1NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1Cl	0
CC(=O)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2	0
Cc1nc(SCC(=O)Nc2ccc(Br)cn2)n[nH]1	0
CSc1nnc2n(/N=C/c3ccc(F)cc3)cnn12	0
CCOC(=O)c1oc2ccccc2c1NC(=O)CC[NH+](CC)CC	1
NC1=NN2C(=[NH+]C(c3ccccc3)=C[C@@H]2c2ccccc2)N1	1
O=C(Nc1nc2ccccc2s1)c1ccc(C(=O)c2ccccc2)o1	0
CC(=O)c1coc2ccc(OCC[NH+]3CCCCC3)cc12	1
O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1	0
O=C1N[C@@H](c2cccs2)Nc2c1sc(=S)n2-c1ccccc1	0
N=C(NC(N)=[NH2+])S[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
CSc1nc(-c2ccccc2F)c(C#N)c(=O)n1C	0
CC1(C)CC(NCC(=O)OC2CCCCC2)CC(C)(C)[NH2+]1	1
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CC1	1
Cc1ccc(Oc2ccc(C[NH+]3CCCCC3)o2)cc1	1
CC1(C)CC(=O)[C@@H]([C@@H](O)c2ccccc2)C(C)(C)[NH2+]1	1
N#Cc1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCC2	0
C[NH+](C)CCn1c2c(c3ccccc31)CCCn1cnnc1-2	1
CCC[N+]1(CC#CC2(O)CCCCC2)CCOCC1	1
Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=S)Nc1ccccc1	1
CCC(=O)N1c2c(C)cc(C)cc2-c2c(ssc2=S)C1(C)C	0
COC(=O)c1oc2ccccc2c1NC(=O)C[NH+]1CCCC1	1
Cc1ccc(S(=O)(=O)N(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1	1
C[NH+]1C(C)(C)CC(=NOC(=O)c2ccccc2)CC1(C)C	1
COc1ccc2c(c1)c(C(=O)OCC[NH+](C)C)c(C)n2C	1
Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc(N(C)C)cc1)C3=O	0
CC1(C)CC(N2CCC(=O)NC2=S)CC(C)(C)[NH2+]1	1
COc1cccc(Oc2nc(N)[nH]c(=O)c2Br)c1	0
COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1C)[NH2+]CC2	1
C[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccccc12	1
COc1ccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC	1
Cc1sc(/N=C/c2ccc(Br)s2)c(C(N)=O)c1C	0
CN(C(=O)c1cc[nH]n1)C1CC(C)(C)[NH2+]C(C)(C)C1	1
COc1ccc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1	1
NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1	0
CC[NH+](CC)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1	1
[NH3+]CCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1	1
Cc1cc(C)n(/N=C/c2cccc(Cl)c2Cl)c(=O)c1C#N	0
COc1cccc(CSc2nc(N)cc(N)[nH+]2)c1	1
CCOC(=O)c1c(C[NH+](CC)CC)oc2ccc(OC)cc12	1
O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(Br)cc2)o1	0
Cc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)cc1	1
CCOC(=O)c1oc2ccccc2c1NC(=O)CC[NH+]1CCCCC1	1
Cc1oc2ccc([O-])c(C[NH+](C)C)c2c1C(=O)c1ccccc1	0
CCOC(=O)c1c(C)[nH]c2cc(Br)c(OC(C)=O)cc12	0
O=C(Nc1ccc(Br)cc1)c1ccc2nccnc2c1	0
CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc21	0
CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc21	0
CCCC(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C	0
Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C(C)C	0
O=C1c2ccc(Br)cc2C(=O)N1CNc1ccccc1	0
O=C1c2ccc(Br)cc2C(=O)N1CNc1cccc(F)c1	0
O=C(C[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1	1
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(C)(=O)=O	1
O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(Br)cc1	0
CC1(C)Cc2c(c([NH+]3CCOCC3)[nH]c(=S)c2C#N)CS1	1
Cc1ccc(C2=N/C(=C/c3ccc(Br)o3)C(=O)O2)cc1	0
C[n+]1c(COc2ccccc2O)sc2ccccc21	1
O[C@@H](Cc1ccc(Br)cc1)C[NH+]1CCCCC1	1
O=S(=O)(/N=C/c1ccc(Br)cc1)c1cccs1	0
O=C(Nc1cccc(Cl)c1)C12CC[NH+](CC1)Cc1ccccc12	1
Cc1ccc(Nc2nc(C#N)c(C#N)nc2Nc2ccc(C)cc2)cc1	0
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cccs2)CC1	1
CCOc1cc(C[NH3+])c(-n2cccc2)cc1OCC	1
[NH3+]CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	1
C[N@@H+]1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1	1
CC(=O)Oc1cn(C(C)=O)c2ccc(Br)c(Cl)c12	0
Brc1ccc([C@@H]2CN3CCSC3=[NH+]2)cc1	1
Brc1ccc(OCC[NH+]2CCCC2)cc1	1
C[C@@H](C[NH+](C)C)[C@@](O)(Cc1ccccc1)c1ccccc1	1
Oc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1O	1
Cc1c(N2C(=O)C=CC2=O)c(=O)oc2cc(N(C)C)ccc12	0
O=C(Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2)C(F)(F)F	0
CC(C)[NH+](Cc1ccc(Br)cc1)C(C)C	1
Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CC(C)C)ccc12	1
COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3	1
C[NH+](C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12	1
[NH3+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12	1
c1ccc(CN(CC2=[NH+]CCN2)c2ccccc2)cc1	1
COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]C(C)(C)C)c1	1
[NH3+][C@H](CSCc1ccccc1)C(=O)Nc1ccc2ccccc2c1	1
C[NH+](C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl	1
CC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1	1
C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1	1
C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1	1
CC(=O)Oc1cc(C(C)C)c(OCC[NH+](C)C)cc1C	1
Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=[NH+]CCN1	1
O[C@@](CC[NH+]1CCCC1)(c1ccccc1)C1CCCCC1	1
C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1	1
Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CO)ccc12	1
COc1ccc2c(C)c(-c3ccc(Br)cc3)c(=O)oc2c1	0
CCOc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1	0
CC(=O)O/N=C(/c1cccc([N+](=O)[O-])c1)N1CCOCC1	0
CC[NH+](CC)CCNc1cc(C)c(C#N)c2nc3ccccc3n12	1
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc2ccccc2c1	0
Cc1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	0
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1CCO	0
O=C(/C=C/c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1	0
COC(=O)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O	0
CCOC(=O)c1c(N)sc2c1CC(C)(C)[NH2+]C2(C)C	1
CCOc1ccc([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)cc1	1
CNC(=O)N(O)[C@@H]1N(/N=C/c2ccco2)C(=S)SC1(C)C	0
O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1	0
C[NH+](C)Cc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2)cc1	1
Cc1c(/[NH+]=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C	1
O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCCC1	1
CC(=O)c1ccc(N=Cc2ccc(Br)c([N+](=O)[O-])c2)cc1	0
COc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(C)CC3)C2=O)c1	1
CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1	1
CC1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1	1
Cc1nccn1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C	0
CC(=O)O[C@@]1(c2ccccc2)C[C@H](C)C[N@@H+](C(C)(C)C)C1	1
O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1cc(Cl)cc(Cl)c1	1
O=C(C[NH+]1CCCCC1)N1CCN(C(=O)c2ccccc2)C1	1
Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)C2)cc1	1
CCOc1ccc(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1	1
COC(=O)CSC1=NC(=O)/C(=C/c2ccc(OC)cc2)S1	0
N=C1NC(=[NH2+])N[C@H](c2ccccc2)N1c1ccccc1	1
N=C1NC(=[NH2+])N[C@@H](c2ccccc2)N1c1ccccc1Cl	1
N=C1NC(=[NH2+])NC2(CCCCC2)N1c1cccc(Cl)c1	1
COc1ccc2c(C)cc(N3CCCCCC3)[nH+]c2c1	1
O=C(C[NH+]1CCCCCC1)Nc1ccc(-c2ccccc2)cc1	1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1	0
COc1ccc(COC[C@@H](O)C[NH+]2CCCCC2)cc1OC	1
CCc1ccc(OC[C@H](O)C[N@@H+]2[C@@H](C)CCC[C@H]2C)cc1	1
Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)cc1C	1
Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCCCC2)c1	1
O=c1oc2ccccc2c2c1nnn2CC[NH+]1CCCCC1	1
COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(O)cc1	0
COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)cc1	0
Cc1ccc(-c2nc(C#N)c(N3CC[NH+](C)CC3)o2)cc1	1
OC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1	1
CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH2+]CC1	1
C[NH+](C)CCNc1ncnc2scc(-c3ccccc3)c12	1
Cc1nc(-c2ccc(S(=O)(=O)NCC[NH+](C)C)s2)cs1	1
COC(=O)c1sc(NC(=O)C(F)(F)F)c(C(=O)OC)c1C	0
C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	1
CC(C)[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1	1
COc1cc(-c2[nH+]cc3ccccn23)cc(OC)c1OC	1
C=C(C)C(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1	0
Cn1c(=O)[nH]c(=O)c2c1ncn2CC[NH+]1CCCCC1	1
CCn1c(NCC[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C	1
c1ccc2nc3c(nc2c1)c1ccccc1n3CC[NH+]1CCCCC1	1
CCOC(=O)c1c(C[NH+](C)C)oc2ccc(O)cc12	1
c1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCC2)cc1	1
CC(C)(C)[NH2+]Cc1cccn1-c1sc2c(c1C#N)CCCC2	1
N#Cc1c(-n2cccc2/C=N/NC(N)=S)sc2c1CCCC2	0
O=c1[nH]c2ccccc2c(=O)n1CC[NH+]1CCSCC1	1
CC[NH+](CC)Cc1c([O-])ccc2c(C)cc(=O)oc12	0
COc1cc(OC)cc(N2C(=O)c3nccnc3C2=O)c1	0
O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1	1
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])s1	0
C[C@@H]1C[C@@H]([N@@H+]2CNc3c(c(=O)n(C)c(=O)n3C)C2)CC(C)(C)C1	1
Cn1c2c(c(=O)n(C)c1=O)CN(CCC1=CCCCC1)CN2	0
CN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1c(F)cccc1Cl	1
CN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1cccs1	1
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cc[nH+]cc1	0
CN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1ccccc1	1
COc1ccc(N=NC(C#N)=C(N)N2CCOCC2)cc1	0
N#Cc1nc(-c2ccccc2)oc1NCC[NH+]1CCCCC1	1
Cc1ccc(-c2nc(C#N)c(NCC[NH+]3CCCCC3)o2)cc1	1
COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1	0
CC1(C)NC(=[NH2+])NC(=N)N1c1c(Cl)cccc1Cl	1
CCc1cccc(CC)c1N1C(=[NH2+])NC(=N)NC1(C)C	1
CC(=O)NC1=NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1	0
COc1cccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)c1	1
COc1ccc2[nH+]c(C)cc(Nc3cccc(C(C)=O)c3)c2c1	1
CCOC(=O)c1cnc2ccc(OCC)cc2c1NCC[NH+](C)C	1
CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CC[NH+](C)CC1	1
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	0
CCOc1ccc2[nH+]c(C)cc(Nc3cc(Cl)ccc3OC)c2c1	1
CCOc1ccc2[nH+]c(C)cc(Nc3cccc(O)c3)c2c1	1
CCOc1ccc2[nH+]c(C)cc(Nc3ccccc3OCC)c2c1	1
CCOc1ccc(Nc2cc(C)[nH+]c3ccc(OCC)cc23)cc1	1
CCOc1ccc2[nH+]c(C)cc(Nc3ccc(OC)c(OC)c3)c2c1	1
CCOc1ccc2[nH+]c(C)cc(Nc3cccc(C(=O)OC)c3)c2c1	1
CCOc1ccc2[nH+]c(C)cc(Nc3ccc(C(=O)OC)cc3)c2c1	1
CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(F)cc1	0
COC(=O)c1cccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)c1	1
CCOc1ccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1	1
Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(N(C)C)cc3)c2c1	1
COc1ccc([C@@H](c2c(C)[nH]c3ccccc23)[NH+]2CCC(C)CC2)cc1	1
Cc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)[nH]c3ccccc23)cc1	1
Cc1cc[nH+]c(N[C@H](c2cccs2)c2c(C)[nH]c3ccccc23)c1	1
COc1ccc([C@@H](c2c(C)[nH]c3ccccc23)[NH+]2CCCCC2)cc1	1
CN(C)c1ccc(/C=[NH+]/NC(=S)NC(C)(C)C)cc1	1
Cc1[nH+]ccn1C[C@@H](O)COc1ccc(Br)cc1	1
Cc1[nH+]ccn1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	1
O=C1CS[C@@H](c2ccccc2F)N1CC[NH+]1CCCCC1	1
Cc1ccc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1	1
N=C(NC(N)=[NH2+])Nc1cc(C(F)(F)F)ccc1Cl	1
COc1ccc(-c2cc(C#N)nc(N3CC[NH+](C)CC3)n2)cc1	1
Cc1cc(NCc2ccccc2)nc(NCc2ccccc2)[nH+]1	1
Cc1ccc(Nc2cc(C)[nH+]c(NCc3ccccc3)n2)c(C)c1	1
Cc1cc(Nc2cccc(F)c2)nc(NCc2ccccc2)[nH+]1	1
Cc1cc(NC2CCCCC2)nc(N2CCOCC2)[nH+]1	1
Cc1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)c(C)c1	1
C[NH+](C)CCn1c(-c2ccccc2)nc(=S)c2c1CCCC2	1
CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CC[NH+](C)C	1
O=C(C[NH+]1CCCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	1
C[C@@H](C[NH+]1CCCCC1)OC(=O)c1ccc2c(c1)OCCO2	1
Cc1cc(/C=C/c2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)on1	1
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c([S@](C)=O)n2)cc1	0
C[C@@H](CS(=O)(=O)c1ccccc1)[NH+]1CCCCC1	1
CC[N@@H+]1CCn2c3c(c4cc(Br)ccc42)CCC[C@@H]31	1
CC[NH+](CC)C[C@@H](O)Cn1c2c(c3cc(C)ccc31)CCCC2=O	1
CC[NH+](CC)C[C@@H](O)Cn1c2c(c3ccccc31)CCCC2=O	1
O=c1c2ncn(CC[NH+]3CCCCC3)c2ncn1CN1CCCCC1	1
O=c1c(/C=N/NC(=S)NCc2ccco2)coc2ccccc12	0
Cc1[nH+]ccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O	1
COC(=O)c1sc(NC(=O)COc2ccc(C)cc2)nc1C	0
Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCCCC1	1
Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCC(C)CC1	1
COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1cccs1	0
Cc1nc(S(=O)(=O)c2ccccc2)c(C#N)c(C)c1[N+](=O)[O-]	0
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1	1
CCOC(=O)c1nn(-c2ccc(C)cc2)/c(=N/C(C)=O)s1	0
CCOC(=O)c1cc(C(C)(C)C)nc(OC(=O)N(C)C)c1C#N	0
CCOc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)ccc1O	0
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1cccc(F)c1	0
O=C1C[C@@H]([N@@H+]2CCC[C@@H](CO)C2)C(=O)N1c1ccccc1	1
O=S1(=O)N=C(N/N=C/c2cccs2)c2ccccc21	0
COC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(C)cc23)cc1	1
CC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc(C)cc23)c1	1
Cc1cccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1	1
O=[N+]([O-])c1ccc(CSc2c(Cl)cncc2Cl)c(Cl)c1	0
COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1F	1
c1nc(NCN2CCCCC2)c2ncn(C[NH+]3CCCCC3)c2n1	1
CN1C(=O)C[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)C1=O	1
CC(=O)Nc1ccc(NC(=O)[C@@H]2CSC(C)(C)N2C=O)cc1	0
Cc1cc2c(cc1C)C(Nc1ccc(F)c(F)c1)=[NH+]C(C)(C)C2	1
CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
CC[NH+](CC)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2	1
N#Cc1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCC2	1
O=[N+](Cc1cc(Br)ccc1O)c1ccccc1	1
CCn1c(C)[n+](CC)c2cc(S(=O)(=O)Nc3ccccc3)ccc21	1
CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(F)cc1F	1
CSc1ccc(C[N+](=O)c2ccc(Br)cc2)cc1	1
Cc1ccc([N+](=O)Cc2ccc(Br)cc2)cc1	1
NNc1nc(N)c2c([nH+]1)-c1ccccc1CC21CCCC1	1
Cc1cc(C)n(NC(=S)NCc2cccs2)c(=O)c1C#N	0
C[NH+]1CCN(/N=C/c2nc(-c3ccccc3)n3ccccc23)CC1	1
O=c1/c(=C/c2ccccc2)sc2nc(-c3ccncc3)nn12	0
CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)CC1	1
C=CCn1c(SCC[NH+]2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C	1
CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C	0
C=CCn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C	1
C=C(C)Cn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C	1
Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C	1
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCSCC1	0
O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1	0
O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1	0
C[NH+]1CCN([C@@]23CCCCC2=Cc2cc([N+](=O)[O-])ccc2O3)CC1	1
COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C(C)=O)c3)c2c1	1
CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(N(C)C)cc3)c2c1	1
CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(O)c3)c2c1	1
CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(O)cc3)c2c1	1
COc1ccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2cccnc2)cc1	0
COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CCCC2)cc1	1
CN(C(=O)c1ccc(N)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
COC(=O)c1csc2c(C(F)(F)F)cc(N3CC[NH2+]CC3)nc12	1
CN(C(=O)c1cc(N)cc(N)c1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
c1ccc2c(-c3nnc(C[NH+]4CCCCC4)o3)cccc2c1	1
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2(CC[NH+](C)CC2)N1	1
CCOC(=O)c1c(C)oc2ccc(O)c(C[NH+](C)C)c12	1
CCOC(=O)C1=C(C)N=C(SC)N(C)[C@@H]1c1ccccc1	0
CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[NH+](C)C	1
CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc[nH+]cc1	1
O=[N+]([O-])c1ccc(OCc2ccccc2)cc1/C=C/[NH+]1CCCC1	1
N#Cc1c2c(c(-n3ccnc3)n3c1nc1ccccc13)CCCC2	0
Cc1[nH+]ccn1-c1c2c(c(C#N)c3nc4ccccc4n13)CCCC2	1
C[NH+](C)CCNc1nc(-c2ccccc2)nc2ccccc12	1
COc1ccc2nc(-c3ccccc3)cc(NCC[NH+](C)C)c2c1	1
CCC[N@H+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O	1
c1ccc(-c2cc(NCC[NH+]3CCCCC3)c3ccccc3n2)cc1	1
COc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1	1
CCOC(=O)c1c(NC(=O)C[NH+](CC)CC)sc2c1CCCC2	1
CCC[N@H+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O	1
CN(C)c1ccc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc1	0
CN(/N=C/c1ccco1)C1=NS(=O)(=O)c2ccccc21	0
O=S1(=O)N=C(N/N=C/c2cccnc2)c2ccccc21	0
CN(/N=C/c1cccnc1)C1=NS(=O)(=O)c2ccccc21	0
COc1cccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)c1	0
Clc1ccc2nc(CSc3nc4ccccn4n3)cn2c1	0
CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C	1
CC[NH+](CC)CCNc1ncnc2sc3c(c12)CCCC3	1
CC[NH+](CC)CCNc1ncnc2sc3c(c12)CC[C@@H](C)C3	1
CC[NH+](CC)CCNc1ncnc2ccc(Br)cc12	1
O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1cccs1	0
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccnc1	0
CCCc1cc(-n2cc[nH+]c2C)n2c(nc3ccccc32)c1C#N	1
Cc1c(C(C)C)c(N2CC[NH+](C)CC2)n2c(nc3ccccc32)c1C#N	1
COc1ccc(OC)c(CNc2ccc3c(c2)[nH+]c(C)n3C)c1	1
CC1(C)CC(Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)[NH2+]1	1
IC[C@@H]1COC[N+]12CCOCC2	1
O=[N+]([O-])c1ccc(Sc2c(-c3ccccc3)nc3ccccn23)cc1	0
COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(SC)cc1	0
Cn1cnnc1SCC(=O)Nc1ccc(Br)cc1	0
Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccco2)c2ccccc12	1
O=[N+]([O-])c1ccccc1Sc1c(-c2ccccc2)nc2ccccn12	0
COc1ccc2c(C)cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2c1	1
CC(C)Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1	1
CC[NH+]1CCN(c2nc(C)nc3sc4c(c23)CCC4)CC1	1
c1ccc2c(c1)CCc1c-2[nH+]c2ccccc2c1N1CCOCC1	1
COc1ccc2c(c1)CCc1c-2[nH+]c2ccccc2c1N1CCOCC1	1
C[NH+](C)CCNc1cc(-c2cccs2)nc2ccccc12	1
COc1ccc(-n2nnnc2-c2c[nH+]c3ccccc3c2N)cc1	1
CC[C@H]1[C@@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	1
O=C1N=C(N2CC[NH+](CCO)CC2)S/C1=C\c1ccccc1	1
CCn1c[n+](C[C@@H](O)COCc2ccccc2)c2ccccc21	1
CCn1c[n+](C[C@@H](O)COC2CCCCC2)c2cc(C)c(C)cc21	1
CCn1c[n+](C[C@@H](O)COc2ccc(OC)cc2)c2ccccc21	1
CCn1c[n+](C[C@@H](O)COc2ccccc2OC)c2ccccc21	1
CCn1c(C)[n+](C[C@@H](O)COc2ccccc2OC)c2ccccc21	1
CC(=O)c1ccc(OC[C@@H](O)C[n+]2cn(C)c3ccccc32)cc1	1
COc1cccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1	1
COc1cc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)ccc1O	1
N=C(NC(N)=[NH2+])Nc1cc(Cl)c(Cl)cc1Cl	1
NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCC2	1
CC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1	1
CN1CCCCC/C1=[NH+]\CCn1cnc2c1c(=O)n(C)c(=O)n2C	1
Cc1sc2ncnc(SCC(=O)N3CCOCC3)c2c1C	0
Cc1ccc(-n2c(C)cc(C(=O)C[NH+]3CCC(C)CC3)c2C)cc1	1
Cc1cc[nH+]c(N[C@@H](c2ccco2)c2c(C)[nH]c3ccccc23)c1	1
COc1ccc(C(=[NH+]Cc2ccc(C)cc2)c2ccc(OC)cc2)cc1	1
Cc1nn2c3ccccc3n(C)c2c1C(=O)OCC[NH+](C)C	1
Cc1cccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	0
CCOC(=O)c1c(C)n(C)c2ccc(OCC[NH+](C)C)cc12	1
O=C(CSc1nc[nH]n1)Nc1ccc(Br)cc1	0
CC(C)NC(=[NH2+])Cn1cnc2c1c(=O)n(C)c(=O)n2C	1
C[C@@H]1CCc2c(sc(NC(=O)CC[NH+]3CCCCCC3)c2C#N)C1	1
C[NH+]1CCN(c2nnc(-c3cccs3)c3ccccc23)CC1	1
C[n+]1cc(-c2ccc3cccc([N+](=O)[O-])c3n2)cc2ccccc21	1
Cn1c(=O)c2c(ncn2CCC(=[NH2+])N2CCOCC2)n(C)c1=O	1
CC1(C)CC(NC(=O)c2cncc(Br)c2)CC(C)(C)[NH2+]1	1
Cc1cccn2cc(-c3cccc(NC(=O)c4cccnc4)c3)nc12	0
CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1	0
COc1ccc(OC)c(Nc2cc(-c3ccccc3)nc(N)n2)c1	0
N#Cc1c(Cl)c(Cl)nc(N2CCC[NH2+]CC2)c1Cl	1
c1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1	1
C[NH+](C)CCCn1c(=N)n(C[C@@H](O)C(C)(C)C)c2ccccc21	1
C[NH+](C)CCCn1c(=N)n(C[C@@H](O)c2ccccc2)c2ccccc21	1
CC(C)c1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
Clc1cccc(Cl)c1C[n+]1ccc2ccccc2c1	1
O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccc(N2CCCCC2)cc1	1
O=C1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1ccc(Br)cc1	1
CC[NH+](CC)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	1
Cc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1	1
O=C1NC(=O)c2cc([N+](=O)[O-])c(Oc3ccc(F)cc3F)cc21	0
Nc1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)s1	0
Cn1c(=O)[nH]c(=O)c2c1ncn2CCNC1=[NH+]CCCCC1	1
O=C1C[C@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1ccc(F)cc1	1
C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2C[NH+]3CCC2CC3)c1	1
CC1(C)CC(NC(=O)NC2CCCCC2)CC(C)(C)[NH2+]1	1
C=CC[N+](C)(C)CCSc1nc(C)cc(COC)c1C#N	1
CC(=O)c1cccc(Nc2cc(C)[nH+]c3c2ccc2ccccc23)c1	1
CSc1sc(C(=O)N2CCCCC2)c(-c2cccs2)c1C#N	0
CC1(C)Cc2ccccc2C(Nc2ccc(Br)cc2)=[NH+]1	1
COc1ccc(NC2=[NH+]C(C)(C)Cc3cc(OC)c(OC)cc32)cc1	1
CC[NH+](CC)C[C@@H](O)Cn1c(C)c(C)c2ccccc21	1
Cc1c(C)n(C[C@@H](O)C[NH+]2CCCCCC2)c2ccccc12	1
COc1ccc(N2CSC(=S)N(c3ccc(OC)cc3)C2)cc1	0
O=c1ccn(CN2CCCCC2)c(=O)n1C[NH+]1CCCCC1	1
Cc1ccc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc1	1
CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCC[NH+](C)C	1
Cc1ccccc1OC[C@@H](O)C[n+]1cn(C)c2ccccc21	1
Cc1cccc(OC[C@@H](O)C[n+]2cn(C)c3ccccc32)c1	1
Cc1ccccc1OC[C@@H](O)C[n+]1c(C)n(C)c2ccccc21	1
CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccccc1C	1
CC(C)c1ccc(OC[C@@H](O)C[n+]2cn(C)c3ccccc32)cc1	1
Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COCc1ccccc1	1
CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COCc1ccccc1	1
Cn1c[n+](C[C@@H](O)COC[C@@H]2CC=CCC2)c2ccccc21	1
COc1ccc(OC[C@@H](O)C[n+]2cn(C)c3ccccc32)cc1	1
COc1ccc(OC[C@@H](O)C[n+]2c(C)n(C)c3ccccc32)cc1	1
CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(OC)cc1	1
CC1(C)CC(NC(=O)c2scc3c2OCCO3)CC(C)(C)[NH2+]1	1
C=CCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O	0
Cc1cc(NCC[NH+]2CCCCC2)c2ccc3ccccc3c2n1	1
COc1ccc(CC/[NH+]=C(\C)c2ccc3ccccc3c2)cc1OC	1
Cc1ccc2c(=O)c(C[N@@H+](C)C3CCCCC3)c(C)[nH]c2c1C	1
CC(C)(C)c1cc(-c2c[nH+]c3n2CCCCC3)cc(C(C)(C)C)c1O	1
Cc1cc(C)c2c(N)c(C3=[NH+]C(C)(C)Cc4ccccc43)sc2n1	1
CC1(C)CCC[C@](C)(C#CC[N@H+]2CCC[C@@H](c3cccnc3)C2)O1	1
[NH2+]=C1NC(O)=C[C@@H](C(=O)Nc2cccc3ccccc23)S1	1
NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1	1
O=C1C[C@@H]([NH2+]Cc2ccccc2)C(=O)N1c1ccccc1	1
CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCC3)C2=O)cc1	1
CCOc1cccc(N2C(=O)C[C@H]([N@H+](C)Cc3ccccc3)C2=O)c1	1
Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1Cl	1
O=C1C[C@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccccc1	1
CC1(C)CC(N[S@](=O)c2ccc3ccccc3c2)CC(C)(C)[NH2+]1	1
Cc1sc2nc3ccc(N4CC[NH+](C)CC4)nn3c(=O)c2c1C	1
Cc1ccc(N2C(=O)[C@@H]([NH+]3CCCCC3)[C@@H](C)C2=O)cc1	1
CC1CCN(Cn2ncn(C[NH+]3CCC(C)CC3)c2=S)CC1	1
Cc1csc2c(=O)n(CC[NH+]3CCSCC3)c(=O)[nH]c12	1
O=C1NC2(CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21	1
Cn1c[nH+]c2cc(NCc3ccc(Br)cc3)ccc21	1
COc1cccc(CNc2ccc3c(c2)[nH+]cn3C)c1OC	1
O=C(C[NH+]1CCCCC1)Nc1c2c(nc3ccccc13)CCC2	1
CCc1nc2ccccc2c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H](C)C2)c1C	1
CCc1nc2ccccc2c(NC(=O)C[NH+]2CCCCC2)c1C	1
CCc1nc2ccccc2c(NC(=O)C[NH+](CC)CC)c1C	1
CCc1nc2ccccc2c(NC(=O)C[NH2+]C(C)C)c1C	1
COc1cccc(O)c1[C@@H]1[NH2+]Cc2ccccc2-n2cccc21	1
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CC[n+]1ccccc1	1
O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CC[NH2+]C1CCCCC1	1
CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N1CCc3ccccc3[C@@]12C	1
COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)cc1	1
CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c(C)c(C)c2ccccc21	1
CCN1/C(=C\C=C\c2oc3ccccc3[n+]2CC)Oc2ccccc21	1
CC[N+](CC)(CCO)CCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2csnn2)cc1	1
CC[NH+]1CCN(c2oc(COc3ccc(C)cc3)nc2C#N)CC1	1
CC[NH+]1CCN(c2oc(COc3cccc(C)c3)nc2C#N)CC1	1
CC[NH+]1CCN(c2oc(COc3ccccc3F)nc2C#N)CC1	1
CC[NH+]1CCN(c2oc(COc3ccccc3OC)nc2C#N)CC1	1
O=C(C[NH+]1CCCCC1)NC[C@@H]1COc2ccccc2O1	1
Cc1ccccc1OCc1nc(C#N)c(NCC[NH+](C)C)o1	1
Cc1cccc(OCc2nc(C#N)c(NCC[NH+](C)C)o2)c1	1
COc1ccc(OCc2nc(C#N)c(NCC[NH+](C)C)o2)cc1	1
COc1ccc(C[NH2+]C[C@@H](O)CSc2ccc(OC)cc2)cc1	1
O=C(O[C@@H]1C[NH+]2CCC1CC2)[C@@H]1COc2ccccc2O1	1
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N2CCOCC2)CC1	1
Cc1sc2ncn(CC(=O)NCC[NH+](C)C)c(=O)c2c1C	1
CCOC(=O)c1sc2ncnc(N3CC[NH+](CC)CC3)c2c1C	1
CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COC[C@@H]1CC=CCC1	1
Cn1c[n+](C[C@@H](O)COC2CCCCC2)c2ccccc21	1
Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COC1CCCCC1	1
CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COC1CCCCC1	1
CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccccc1OC	1
COc1ccccc1OC[C@@H](O)C[n+]1cn(C)c2cc(C)c(C)cc21	1
CC(C)c1ccccc1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
Cc1[nH+]ccn1CCCN1C(=O)OC2(CCCCC2)[C@@]1(C)O	1
CC[C@@]1(C)OC(=O)N(CCCn2cc[nH+]c2C)[C@@]1(C)O	1
CC(C)=CCC[C@@]1(C)OC(=O)N(CCCn2cc[nH+]c2C)[C@@]1(C)O	1
COc1ccc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1	1
COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2)cc1C	1
Nc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1	1
Oc1ccc(Br)cc1CNc1[nH]c2ccccc2[nH+]1	1
COc1cccc(CNc2[nH+]c3ccccc3n2C)c1O	1
CC(=O)c1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
CCC[NH+](CCC)C[C@@H](O)CN1C(=O)NC(C)(C)C1=O	1
CCN(CC)c1ccc(NC(=O)c2cccs2)c(N(CC)CC)[nH+]1	1
CCOC(=O)c1cccc(Nc2cc(C)[nH+]c3c(C)cccc23)c1	1
Cc1ccccc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	1
COc1ccc(/N=C/c2ccccc2N2CC[NH+](C)CC2)cc1	1
C[C@@H]1Cc2scc[n+]2-c2ccccc2N1C(=O)Nc1ccccc1	1
CC[NH+](CC)CC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O	1
Brc1ccc(-c2csc(Nc3cc[nH+]cc3)n2)cc1	1
Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2CCC3)cc1	1
O=S(=O)(Nc1ccc(O)c(C[NH+]2CCCCC2)c1)c1ccccc1	1
Nc1cc(N)[nH+]c(SCc2ccc(C(=O)N3CCOCC3)cc2)n1	1
Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1	1
Cc1c(O)c(C[NH+](C)C)cc2c(-c3ccccc3)cc(=O)oc12	1
O[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)Cn1ccc2ccccc21	1
COc1ccc2c(c1)c(C(=O)CNC1=[NH+]CCS1)c(C)n2C	1
CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+](C)C	1
O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCC[NH+]1CCCCC1	1
O=C(NC(=O)c1cccs1)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12	1
CC[NH+]1CCN(c2nc(C)nc3c2sc(=S)n3C)CC1	1
NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1	1
O[C@@H](C[NH2+]C1Cc2ccccc2C1)COc1ccc(F)cc1	1
C[NH+](C)CCNc1cnn(-c2ccccc2)c(=O)c1Cl	1
C[NH+]1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1	1
COc1ccc(COC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1	1
COc1ccc(COC[C@@H](O)C[NH2+]C2Cc3ccccc3C2)cc1	1
NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1	1
Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1	1
NC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	1
COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2[N+](=O)[O-])cc1	1
O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46	1
Nc1c(-c2nnnn2-c2ccccc2)c[nH+]c2ccccc12	1
CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21	1
Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cc[nH+]cc1	1
CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C)CC3)C2=O)cc1	1
C[NH+]1CCN(c2ncnc3ccc(Br)cc23)CC1	1
CC[NH+]1CCN(c2ncnc3ccc(Br)cc23)CC1	1
C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c3c(c(=O)oc12)CCC3	0
c1ccc2c(Nc3ccc4c(c3)OCCO4)c3c([nH+]c2c1)CCC3	1
COC(=O)c1cccc(Nc2c3c([nH+]c4ccccc24)CCC3)c1	1
CCOC(=O)c1ccc(Nc2c3c([nH+]c4ccccc24)CCC3)cc1	1
COc1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1	1
CCOC(=O)c1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1	1
Cc1cc(C)[n+]2c(-c3ccccc3)c(-c3ccccc3)sc2n1	1
FC(F)(F)c1c[nH+]c(NN2[C@@H]3CS[C@H]2CS3)c(Cl)c1	1
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	1
C[N@@H+]1CCCN(c2ncnc3sc4c(c23)CCC4)CC1	1
O[C@@H](CN(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1	1
CC[NH+]1CCN(c2ncnc3sc4c(c23)CCC4)CC1	1
CCOC(=O)c1cc(C#N)c(N2CCC[NH2+]CC2)nc1C(F)(F)F	1
COc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc[n+]12	1
COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)C)cc1)[NH2+]CC2	1
COc1ccc(C[NH2+][C@@H](CO)c2ccccc2)c(OC)c1OC	1
CC[NH+](CC)c1ccc(NCN2C(=O)c3ccccc3C2=O)c(C)c1	1
O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1C[NH+]2CCC1CC2	1
O=C(Nc1ccc(C(F)(F)F)cc1)O[C@@H]1C[NH+]2CCC1CC2	1
CC[NH+](CC)CC(=O)Nc1scc2c1c(=O)oc1ccccc12	1
CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](C)CC)sc2c1CCCC2	1
C[C@@H](c1ccccc1[C@@](O)(c1ccccc1)C(F)(F)F)[NH+](C)C	1
CCOC(=O)c1cnc2ccc(Cl)cc2c1NCC[NH+](C)C	1
CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCC[NH+](C)C	1
CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCC[NH+](C)C	1
C[NH+]1CCN(/C=N/c2ncc(C(F)(F)F)cc2Cl)CC1	1
CCC[NH+](CCC)C[C@H](O)Cn1c2ccccc2c2ccccc21	1
C[NH+]1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)CC1	1
Cc1cc(NCC[NH+]2CCCCC2)n2c(nc3ccccc32)c1C#N	1
COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CC[N@H+]1C	1
COc1cc(Br)cc(CNc2cc(C)cc[nH+]2)c1O	1
C[N@@H+]1[C@H]2CC[C@@H]1CC(NC(=O)CS(=O)(=O)c1ccccc1)C2	1
C[NH+](C)CCNc1ncnc2ccc(Br)cc12	1
COc1ccc(Nc2cc(C)[nH+]c3c2ccc2ccccc23)cc1	1
Cc1onc(-c2ccccc2Cl)c1C(=O)ONC1=[NH+]CCCC1	1
Fc1cccc(F)c1CSc1ccccc1C1=[NH+]CCCN1	1
Cc1cccc(CSc2ccccc2C2=[NH+]CCCN2)c1F	1
CC1(C)CC(NS(=O)(=O)c2ccccc2)CC(C)(C)[NH2+]1	1
O=[N+]([O-])c1cccnc1Sc1ccccc1C1=[NH+]CCCN1	1
C[NH+]1C(C)(C)CC(NC(=O)c2ccc(-n3cnnn3)cc2)CC1(C)C	1
CC1(C)CC(NC(=O)c2scc3c2CCCC3)CC(C)(C)[NH2+]1	1
Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1	1
CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(Cl)c1	0
CC1(C)CC(N2CN(C3CCCCC3)CC2=O)CC(C)(C)[NH2+]1	1
Cc1ccc2[nH+]c3c(c(Nc4ccc(C)c(Cl)c4)c2c1)CCC3	1
CCOc1ccc(Nc2c3c([nH+]c4ccc(C)cc24)CCC3)cc1	1
Cc1ccc2[nH+]c3c(c(Nc4ccc(N(C)C)cc4)c2c1)CCC3	1
CC[NH+](CC)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	1
COc1ccc2[nH]c(C)c(C[NH+](CC(C)C)CC(C)C)c(=O)c2c1	1
COc1ccc2[nH+]c(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1	1
C[NH+](C)CCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12	1
COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(C)c(C)c3)c2c1	1
COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C)c3C)c2c1	1
COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(C)cc3C)c2c1	1
COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(N(C)C)cc3)c2c1	1
COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(OC)c3)c2c1	1
COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(OC)cc3)c2c1	1
COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc([N+](=O)[O-])c3)c2c1	1
CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccccc3CC)c2c1	1
NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCCC2)cc1	1
COc1ccc([C@@H]2NC(=[NH2+])NC(=N)N2c2ccc(C)cc2)cc1	1
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Br)cc1	1
Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1	1
NC(=O)C1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1	1
CC1(C)CC(Nc2ncnc3sc4c(c23)CCCC4)CC(C)(C)[NH2+]1	1
CCOC(=O)c1c(N)n(CC[NH+](C)C)c2nc3ccccc3nc12	1
CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NCc1ccco1	1
CCOC(=O)c1cnc2c(C)c(C)ccc2c1NCC[NH+](C)C	1
Cc1ccc2oc(-c3ccccc3)c/c(=N\CC[NH+](C)C)c2c1	1
CC[NH+](CC)CCNc1ncnc2scc(-c3ccc(F)cc3)c12	1
CC[NH+]1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1	1
CCC[NH+](CCC)Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O	1
O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCCCC1	1
Cc1cc(C)c2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)[nH]c2c1	1
COc1cccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	1
Cc1cc(Cl)c(N2CC[NH2+]CC2)cc1S(C)(=O)=O	1
CS(=O)(=O)c1ccc(N2CC[NH2+]CC2)c(Br)c1	1
O=S(=O)(c1ccc(Br)cc1)C1CC[NH2+]CC1	1
O=S(=O)(c1cccc(NC2CC[NH2+]CC2)c1)C(F)(F)F	1
O=S(=O)(c1ccc(Cl)cc1)N(C1CC[NH2+]CC1)C1CC1	1
NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2N2CCOCC2)CC1	1
C[N@@H+]1CCc2c(sc(NC(=S)Nc3ccccc3)c2C#N)C1	1
CC[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12	1
COc1ccc(C(=O)c2c(NC(C)=O)sc3c2CC[NH2+]C3)cc1	1
FC(F)(F)c1cnc(C[n+]2ccc3ccccc3c2)c(Cl)c1	1
CCOC(=O)c1c(NC(=S)N2CC[NH+](C)CC2)sc(C)c1C	1
CN1CC[N+]2(CC1)C[C@@](C)(O)C[C@@H]2CI	1
CC(=O)c1sc2nsc(SCC[NH+]3CCCCC3)c2c1N	1
C[N@@H+]1CC[C@]2(OC(=O)c3ccc([N+](=O)[O-])cc3)CCCC[C@@H]2C1	1
Brc1ccc(-c2csc3c4ccccc4cc[n+]23)cc1	1
C[C@@H]1C[N+]2(CCCCC2)C[C@@](O)(c2ccc(-c3ccccc3)cc2)O1	1
CN(C)c1ccc(/C=C/c2cc[n+](Cc3ccc(F)cc3)cc2)cc1	1
COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1cc(C)c(O)c(C)c1)CC2	1
COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1	1
COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c(OC)c1C	1
CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CC[NH2+]CC3)n2n1	1
C[NH+]1CCC(=NOC(=O)Nc2cccc(C(F)(F)F)c2)CC1	1
Cc1cc(Nc2ccc(OC(F)(F)F)cc2)c2ccccc2[nH+]1	1
COc1cc(C[NH2+]Cc2ccc(F)c(F)c2)cc(OC)c1OC	1
COc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)c(OC)c1	1
COc1cc(C[NH2+]Cc2cc(F)ccc2F)cc(OC)c1OC	1
COc1ccccc1C[NH2+]Cc1ccc(Br)cc1	1
CCOc1cc(C[NH2+]Cc2cc(OC)cc(OC)c2)ccc1OC	1
COc1cccc(C[NH2+]Cc2ccc(OC)c3ccccc23)c1OC	1
COc1cc(C[NH2+]Cc2ccc(Br)cc2)cc(OC)c1	1
COc1ccc(C[NH2+]Cc2ccccc2Br)cc1	1
COc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1	1
COc1ccc(C[NH2+]Cc2ccc(Br)cc2)c(OC)c1	1
COc1ccc(C[NH2+]Cc2ccccc2OC)cc1Br	1
COc1cc(C[NH2+]Cc2ccc(SC)cc2)cc(OC)c1OC	1
COc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1	1
COc1ccc(C[NH2+]Cc2cc(Br)ccc2OC)cc1	1
COc1cc(C[NH2+]Cc2ccc(OC)cc2OC)cc(OC)c1	1
Nc1nc(N)c2c(OCc3ccc(C(F)(F)F)cc3)cccc2[nH+]1	1
O=C(C[NH+]1CCCCC1)Nc1ccc(I)cc1	1
Oc1ccc2ccccc2c1[C@@H](c1cccs1)[NH+]1CCCCC1	1
CC1(C)CC(NC(=S)Nc2cccc(Cl)c2)CC(C)(C)[NH2+]1	1
COc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
CC1(C)CC(NC(=S)Nc2ccc(Cl)cc2)CC(C)(C)[NH2+]1	1
O=C(OC(CN1CCCCC1)C[NH+]1CCCCC1)c1ccccc1	1
c1ccc(Cc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1	1
CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
C[n+]1cc(C(=O)NCC[N+](C)(C)Cc2ccccc2)ccc1/C=N/[O-]	1
COc1cc2c3c(c1O)-c1c(cccc1OC)C[C@@H]3[N+](C)(C)CC2	1
C[N@@H+](Cn1c(=O)oc2cc(Br)ccc21)C1CCCCC1	1
O=c1c2ccccc2nc(C[n+]2ccccc2)n1-c1ccccc1	1
O=C1C[C@H]([NH+]2CCCC2)C(=O)N1c1ccc(Br)cc1	1
CC[NH+](CC)CCSc1nnc2c3ccccc3n(C)c2n1	1
O=C(CC[NH+]1CCCCCC1)Nc1ccc(Br)cc1	1
COc1ccc(OC)c(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c1	1
Cc1ccc(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=[NH2+])cc1	1
O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1	1
COC(=O)CN1C(C)=[NH+]c2ccc(C)cc2[C@@H]1c1ccccc1	1
CCN1C(=O)/C(=C/C=C2\CCC[N@@H+]2C)N(c2ccccc2)C1=S	1
O=C1c2ccccc2C(=O)N1OCC[n+]1ccc2ccccc2c1	1
C[C@@H](C[N+](C)(C)C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1	1
CC(C)CCn1c(N2CC[NH2+]CC2)nc2c1c(=O)[nH]c(=O)n2C	1
CC1(C)Cc2c(sc(NC(=O)c3ccccc3)c2C#N)C(C)(C)[NH2+]1	1
Cc1cccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)c1	1
CC1(C)Cc2c(sc(/N=C/N3CCCCC3)c2C#N)C(C)(C)[NH2+]1	1
CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2ccc(OC)cc21	1
CC[NH+](CC)CCn1c(=N)n(CC(=O)c2ccco2)c2ccccc21	1
O=C1CS[C@@H](c2ccc(Cl)cc2)N1CC[NH+]1CCCCC1	1
CC(C)c1ccc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1	1
COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])cc1OC	1
Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3F)C2=O)cc1	1
COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1	1
Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccc(F)c3)C2=O)cc1	1
Cc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H](C)c3ccccc3)C2=O)cc1	1
COc1cc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1OC	1
CCN(CC)c1ccc([C@@H]2[NH2+]C[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1	1
CC(=O)N[C@]1(c2ccccc2)CC[N@@H+](C)[C@@H](c2ccccc2)[C@@H]1C	1
C[NH+](C)CCCN1C(=O)[C@H]2CC3=C(CCCC3(C)C)C[C@H]2C1=O	1
CC(C)(C)c1nc(CN2CCCCC2)cc(C[NH+]2CCCCC2)c1O	1
Cc1cc(C)c(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCCC2)c(C)c1	1
c1ccc(C2(C[NH2+]C[C@@H]3COc4ccccc4O3)CCCC2)cc1	1
O=C(CN1C2=[NH+]CCCN2c2ccccc21)c1cccc2ccccc12	1
COc1ccc([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)c(OC)c1	1
COc1cc2c(cc1OC)[C@@H](c1cccc(OC)c1OC)[NH2+]CC2	1
COc1cc2c(cc1OC)[C@H](c1cc(OC)c(O)c(OC)c1)[NH2+]CC2	1
O=C(OCC[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1	1
COc1ccc(OC[C@@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
Cc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)o1	1
C=C(C)Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C	1
COc1ccc(C(=O)Nc2sc3c(c2C[NH+](C)C)CCCC3)cc1	1
CCOC(=O)c1c(C)n(C)c2cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c12	1
CC1(C)Cc2[nH+]c3ccccc3c(NCc3ccccc3)c2[C@@H](O)C1	1
CC[NH+](CC)CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	1
[NH2+]=C1NC(O)=C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)S1	1
O=C(C[C@@H]([NH2+]C1CCCCC1)c1ccccc1O)NC1CCCCC1	1
O=C(C[C@@H](c1ccccc1O)[NH+]1CCCCC1)N1CCCCC1	1
O=c1oc2ccccc2c(NCc2ccccc2)c1C[NH+]1CCCCC1	1
OCC[NH+](CCO)C[C@@H](O)Cn1c2ccccc2c2ccccc21	1
CC[NH+](CC)CCN1C(=O)CCCc2sc3c(c21)CCCC3	1
CC(C)(C)c1cc(C[NH+](CCO)CCO)c(O)c(C(C)(C)C)c1	1
CC[NH+](CC)CCn1c(NC(=O)C(F)(F)F)nc2ccccc21	1
Cc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	1
Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-]	1
O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1ccccc1	1
C(=N/c1nc2ccccc2n1CC[NH+]1CCCCC1)\c1cccs1	1
C[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Br)cc1	1
C[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Cl)c(Cl)c1	1
COc1ccc(OC)c([C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c1	1
CC(C)(C)c1cc(CCC(=O)N2CC[NH2+]CC2)c(C(C)(C)C)cc1O	1
Nc1c2c([nH+]c3ccc(Br)cc13)N(C1CCCCC1)CC2	1
O=C(C[NH2+]C1CCCCC1)Nc1c2c(nc3c1CCC3)CCC2	1
O=C(Cc1ccccc1)Nc1c2c([nH+]c3c1CCC3)CCCC2	1
O=C(CN1CCCCC1)Nc1c2c([nH+]c3c1CCC3)CCCC2	1
O=C(C[NH+]1CCCCC1)N1CCCc2c1c(=O)oc1ccc(O)cc21	1
CC[NH+](CC)CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21	1
Cc1ccc(CCn2c3c(c4ccccc42)C[N@H+](C)CC3)cn1	1
COc1cc(OC)c(C[NH+]2CCCCCC2)cc1Br	1
COc1ccc(Nc2nc(N)nc(C[N@H+](C)C3CCCCC3)n2)cc1	1
c1ccc(Nc2[nH+]c3ccccc3n2CCOc2ccccc2)cc1	1
Cc1ccc(/N=C2/C(=O)N(C[N@H+]3CCC[C@H](C)C3)c3ccccc32)cc1	1
CN1CCc2c(n(C[C@@H](O)C[NH+]3CCCCC3)c3ccccc23)C1=O	1
CC[NH+](CC)C[C@@H](O)Cn1c2c(c3ccccc31)CCN(C)C2=O	1
CCc1nc(NCC[NH+](CC)CC)c(C#N)c2c1COC(C)(C)C2	1
CCOc1ccc(N2C(=O)C[C@H]([N@H+](C)Cc3ccccc3)C2=O)cc1	1
COc1ccc(/C=C/C2=CC[N@H+](C[C@H](O)c3ccccc3)CC2)cc1	1
CCc1nc2ccccc2c(NC(=O)C[N@H+](C)Cc2ccccc2)c1C	1
O=C(c1ccco1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1	1
O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1CC[NH+]1CCCCC1	1
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CC[NH+]1CCCCC1	1
CCOC(=O)c1oc2ccc(C[NH2+]C3CCCCC3)c(Cl)c2c1C	1
C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)[NH+]1CCCCC1	1
C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1	1
CC[NH+](CC)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCC2	1
CCOC(=O)c1ccc(Nc2cc(C)[nH+]c(C)c2C(=O)OCC)cc1	1
COc1ccc(N2CC[NH+](CCC3=C(C)CCCC3(C)C)CC2)cc1	1
CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1	1
Oc1ccc2ccccc2c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1	1
COc1cccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)c1	1
CCc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1	1
CCc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cccs1	1
Cc1cccc(C)c1NC(=S)N(CC[NH+](C)C)Cc1cccs1	1
C[NH+](C)CCN(Cc1cccs1)C(=S)Nc1ccccc1F	1
Cc1cc(C)cc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)c1	1
O=C([C@@H]1CCC[N@H+](Cc2ccncc2)C1)N1CCc2ccccc2C1	1
O=S(=O)(NCC[NH+]1CCCCCC1)c1cccc2nsnc12	1
Cc1ccc([C@@H](CC(=O)N2CC[NH2+]CC2)c2ccccc2)c(O)c1C	1
OCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(Br)c1	1
Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)c(C)c1	1
O=C1CSc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2N1	1
C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)CS2	1
Cc1c(C[N@@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C	1
C[NH+](C)CCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21	1
C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1	1
C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	1
C[NH+](C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O	1
Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)cc1	1
O=C(CCn1c(=S)oc2ccccc21)NCC[NH+]1CCCCC1	1
CSc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	1
CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1O	1
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c(O)ccc3ccccc23)C1	1
C[C@@H](CC[N@@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1	1
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCC(c3ccccc3)CC2)C1	1
COc1ccccc1N1CCN(/[NH+]=C/c2ccc(N(C)C)cc2)CC1	1
O[C@@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCCC1	1
Nc1[nH+]c2ccccc2n1CCOc1ccc(Br)cc1	1
COc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1OC	1
CC[NH+]1CCN(c2ccc(/N=C/c3ccc([N+](=O)[O-])s3)cc2)CC1	1
C[C@H]1C/C(=N/OC(=O)c2ccc(Br)cc2)[C@H](C)C[N@@H+]1C	1
CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1	1
CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC3)CC1	1
CC(C)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1	1
Cc1ccc([C@@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1	1
COc1ccc(-c2cn3c([n+]2Cc2ccccc2)SCCC3)cc1	1
COc1cccc(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1	1
COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1C	1
COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C(C)C)cc1	1
N=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@@H](O)c1ccco1	1
CCn1c2ccccc2c2nnc(SCC[NH+]3CCCCC3)nc21	1
COc1ccccc1/C=C/C[N@@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccc(F)cc1	1
O=C([C@@H]1CCC[NH2+]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	1
CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C1	1
CCOC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1	1
CCN(C)c1ccc(/C=[NH+]/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1	1
CC(C)[N@H+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	1
CSc1cccc(NC(=S)N2CCC([N@H+](C)C(C)C)CC2)c1	1
Cc1ccc(C)c(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)c1	1
Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)C(C)C)CC1	1
Cc1ccc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)cc1C	1
Cc1cc(C)cc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)c1	1
CCc1ccc(NC(=S)N2CCC([N@H+](C)C(C)C)CC2)cc1	1
COc1ccc(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)cc1	1
Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)cc1	1
C[C@@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1ccccc1F	1
C[C@@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1cccc(F)c1	1
Cc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1cccnc1	1
C[C@H]1CCC[C@@H](C)[N@@H+]1CCNC(=O)C1CCN(S(C)(=O)=O)CC1	1
CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(C)c2)cc1	1
CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(C)cc2)cc1	1
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)COc2ccccc2)C1	1
CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1[N+](=O)Cc1ccco1	1
CCn1c[n+](C[C@@H](O)COc2ccc(F)cc2)c2cc(C)c(C)cc21	1
O=c1oc2ccccc2c(N2CCCCC2)c1C[NH+]1CCCCC1	1
NNc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1	1
CC(C)(C)[C@@H](O)Cn1c(=N)n(CC[NH+]2CCCCC2)c2ccccc21	1
COc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1OC	1
Nc1ccc2c(c1)[C@@]13CC[N@H+]4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	1
O=C(Cn1ccc(=[NH+]Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	1
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1	1
C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)s2)N3)C1	1
COc1cc2c(cc1OC)C[N@H+](Cc1ccc(N(C)C)cc1)CC2	1
Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+](C)C)c1C	1
CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+]1CCCCC1	1
Cc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(C[NH+](C)C)c32)cc1	1
COc1ccc(N2CC[NH+](Cc3ccc(OC)c(C)c3C)CC2)cc1	1
CCOc1ccc2nc(/[NH+]=C3\N=C(C)CC(C)(C)N3)nc(C)c2c1	1
NC(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1	1
Cc1cc(C)[n+](C)n1C[C@@H](O)Cn1c2ccccc2c2ccccc21	1
CC(C)c1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
COC(=O)c1c(C)nc2n(CC[NH+]3CCCCC3)c3ccccc3n12	1
CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1c(C)cccc1C	1
Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(C(C)C)cc1	1
Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1cccc2ccccc12	1
Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc2ccccc2c1	1
O=C(Nc1ccccc1)c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	1
CCn1c(C)[n+](C[C@@H](O)COc2c(C)cccc2C)c2ccccc21	1
CCn1c(C)[n+](C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc21	1
COc1cccc(OC[C@@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)c1	1
CC(=O)c1ccc(OC[C@@H](O)C[n+]2c(C)n(C)c3ccccc32)cc1	1
COc1cc(OC)cc(C(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1	1