CSC1=NC(C2=CC=C3C=CC=CC3=C2)=NN1C(=O)N(C)C	0
C\C=C1/[C@@H]2CC3=C(C=CC(=O)N3)[C@@]1([NH3+])CC(C)=C2	1
CSC1=NC(/C=C/C2=CC=CC=C2)=NN1C(=O)N(C)C	0
C[N+]1(C)CCO[C@@](O)(C2=CC=C(C#N)C=C2)C1	1
CNC(=O)OC1=CC=C2N(C)C3OCC[C@@]3(C)C2=C1	0
CCSC1=NC(C2=CC=C(Cl)C=C2)=NN1C(=O)N(C)C	0
COC1=CC=C2C[N@@H+](CCOC3=CC=C(C[NH+]4CCCCC4)C=C3)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24	2
COC1=CC=C2C[N@H+](CCOC3=CC=C(C[NH+]4CCCCC4)C=C3)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24	2
COCC[N+]1(C)CCCC(CC1)C(=O)C1=CC2=CC(OC)=C(OC)C=C2S1	1
CCC1=CC2CC(C1)CC1=C2C(N)=C2C=CC=CC2=[NH+]1	1
CC1CC2=CC3=C(C=C2C1=O)OCO3	0
CCCCCCNC(=O)OC1=CC=C2C(=C1)C1CC2[N@H+](C)CC1	1
CCCCCCNC(=O)OC1=CC=C2C(=C1)C1CC2[N@@H+](C)CC1	1
O=C(CN1CCCC1)NC1=CC=C2N=C3C4=C(C=CN3C(=O)C2=C1)C1=CC=CC=C1N4	0
O=C(C[NH+]1CCCC1)NC1=CC=C2N=C3C4=C(C=CN3C(=O)C2=C1)C1=CC=CC=C1N4	1
CNC(=O)OC1=CC=CC2=C1CCC1CC[N@H+](C)C21	1
CNC(=O)OC1=CC=CC2=C1CCC1CC[N@@H+](C)C21	1
C[N+]1(CC2=CC=CC=C2)CCC(CCC(=O)C2=CC=C3OCCC3=C2)CC1	1
C[N+](C)(C)C1=CC(O)=CC(OCCCOC2=CC(O)=CC([N+](C)(C)C)=C2)=C1	2
O=C(NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CN=C1	1
CC1CC[NH+](CC2CCCCC2)CC1	1
COC1=CC2=C(C=C1OC)C(=O)/C(=C/C1=CC=C(C[NH+]3CCCC3)C=C1)C2	1
C[NH+]1C2CCC1CC(C2)OC(=O)C(CO)C1=CC=CC=C1	1
FC1=CC=C(C(C2=CC=C(F)C=C2)N2CCN(CC[NH+]3CCCC3)CC2)C=C1	1
COC1=CC2=C(C=C1OC)C(=O)\C(O2)=C\C1=CC=CC(C[NH+]2CCCCC2)=C1	1
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl	2
COC1=CC=C2C(=O)/C(=C/C3=CC=[N+](CC4=CC=CC=C4F)C=C3)OC2=C1	1
COC1=CC2=C(C=C1OC)C(=O)C(OC1=CC=C(C[NH+]3CCCC3)C=C1)C2	1
CN(C)C(=O)OC1=CC=C2[C@@H](CCOC3=CC=C(C=C3)N(=O)=O)[NH+](C)CC=CC2=C1	1
CN(C)C(=O)OC1=CC=C2[C@@H](CCOC3=CC=C(C=C3)N(=O)=O)N(C)CC=CC2=C1	0
C[N+](C)(CC(=O)C1=CC=C(C2=CC=C(C(=O)C[N+](C)(C)CC3OCCCO3)C=C2)C=C1)CC1OCCCO1	2
C[C@H]1CCC[C@@H](C)N1S(C)(=O)=O	0
C[NH+]1CCC(/C=C2\CC3=CC=CC=C3C2=O)CC1	1
O=C([O-])CCCC[C@@H]1CCSS1	-1
COC1=CC([O-])=C(C(=O)/C=C/C2=CC=CC(N3CCCC3)=C2)C=C1OC	-1
COC1=CC(O)=C(C(=O)/C=C/C2=CC=CC(N3CCCC3)=C2)C=C1OC	0
C[C@@]1(O)C[N+](C)(C)CCO1	1
CCN(CC)CC(=O)NC1=CC=C2N=C3C4=C(C=CN3C(=O)C2=C1)C1=CC=CC=C1N4	0
CC[NH+](CC)CC(=O)NC1=CC=C2N=C3C4=C(C=CN3C(=O)C2=C1)C1=CC=CC=C1N4	1
O=C([O-])C1=CC=CC(N2C(=O)CCC2=O)=C1	-1
N#CC(C#N)=C1NCCN1CC[NH2+]CC1=CC=C(C[NH+]2CCCC2)O1	2
COC1=C(OC)C=C2SC(C(=O)CCC3=CC=[N+](CC4CCC4)C=C3)=CC2=C1	1
C/N=C1/CCC2=C1N(C)C1=CC=C(OC(=O)N(C)C)C(Br)=C12	0
COC1=CC(C(=O)NNC2=C3C=CC=CC3=[NH+]C3=C2CCCC3)=CC(OC)=C1OC	1
CC[NH+](CC)CC1=CC=C(OCCCCCCCC[NH+]2CCCC2)C=C1	2
COC1=CC([O-])=C(C=C1OC)C(=O)\C=C\C1=CC=C(C=C1)N1CCCC1	-1
COC1=CC(O)=C(C=C1OC)C(=O)\C=C\C1=CC=C(C=C1)N1CCCC1	0
CCCCCCSC1=NC(C2=CC=C(Cl)C=C2)=NN1C(=O)N1CCCCC1	0
COC1=CC=C2C=C3C4=CC5=C(C=C4CC[N+]3=CC2=C1OCC[N+]1=CC=CC(C)=C1)OCO5	2
O=C1CCCN1CC#CC[NH+]1CCCC1	1
O=C1C=CC2=C(CCC[C@@H]2[NH2+]CCCCCCCCCC[NH2+][C@H]2CCCC3=C2C=CC(=O)N3)N1	2
CC1=C(CSC2(C(F)(F)F)CCCO2)C(N)=C2C(F)=CC=CC2=[NH+]1	1
C[N+](C)(C)CCCCCCCCCC[N+]1=C2C3=CC(N)=CC=C3C=CC2=C(N)C=C1C1=CC=CC=C1	2
CC1=CC=CC=C1NC(=O)OC1=CC=C2C(=C1)[C@]1(C)CCOC1N2C	0
CN(C)C(=O)OC1=CC=CC2=C1CCC2[NH3+]	1
C=CCCC[NH+](C)C	1
COC1=CC2=C(C=C1OC)C(=O)C(C1=CC=C(N3CCCC3)C=C1)=CO2	0
COC1=CC2=C(C=C1OC)C(=O)C(CC1CCN(CC1)C1=CC=CC=C1)C2	0
C1=CC2=[NH+]C3=C(CCCC3)C(NCCCCCCCNC3=CC=[NH+]C=C3)=C2C=C1	2
NC1=C2C=CN=CC2=NC2=C1CCCO2	0
COC1=CC2=C(C=C1OC)C(=O)C(C1CC[NH+](CC3=CC=CC=C3)CC1)C2	1
CCCCCCCNC(=O)OC1=CC=CC2=C1OCC1CC[N@@H+](C)C21	1
CCCCCCCNC(=O)OC1=CC=CC2=C1OCC1CC[N@H+](C)C21	1
C[N+]1=CC2=C(C=C1)C1=C(C=CC=C1)N2CCCCCCCCCN1C2=C(C=CC=C2)C2=C1C=[N+](C)C=C2	2
CC1CC[NH+](CC2=CC=CC=C2)CC1	1
CC[C@H](C)C1=[NH+]C[C@]2(C)[C@H](CC=C3C[C@@H]4[C@@H](CC[C@@H]23)[C@]2(C)C[C@@H](O)[C@H]([C@H](C)[NH+](C)C)[C@@]2(C)CC4=O)N1	2
CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(Br)C=C1	0
CC1=CC2CC3=C(C=CC(=O)N3)C3(C1)[NH2+]CCCC23	1
CC[C@]1(CCCC[NH+](CCCCCCCC[NH+]2CCCC[C@](CC)(C2)C2=CC=CC(O)=C2)C1)C1=CC=CC(O)=C1	2
COC1=CC2=C(C=C1OC)C(=O)C(C1=CC=CC(N3CCCC3)=C1)=CO2	0
CC1=C(COCC2=CC=CC(C(=O)C(F)(F)F)=C2)C(N)=C2C=CC=CC2=[NH+]1	1
C[N@@H+](CCOCCNC(=S)NC(=O)C1=CC=CC=C1)C1CCCCC1	1
C[N@H+](CCOCCNC(=S)NC(=O)C1=CC=CC=C1)C1CCCCC1	1
C[N+]1(CC(=O)NC2=CC=C3C(=C2)C(=O)C2=C4C(=CC=C2)C=CN=C34)CCCC1	1
NC1=C2C=CC=CC2=[NH+]C2=C1CCC2	1
CC(C)(C)C1=CC=CC(C(=O)C(F)(F)F)=C1	0
CNC(=O)OC1=CC=CC(C[N@@H+](C)CCCOC2=CC=C3C=CC=CC3=C2)=C1	1
CNC(=O)OC1=CC=CC(C[N@H+](C)CCCOC2=CC=C3C=CC=CC3=C2)=C1	1
COC1=CC2=C(C=C1O)C(=O)C(C)C2	0
CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1	0
CC1=CC2CC3=C(C(N)=C4C=CC(Cl)=CC4=[NH+]3)C(C1)C2	1
CCC[N@@H+](C1=CC=NC=C1F)N1C=C(C)C2=CC(OC(=O)NC)=CC=C21	1
CCC[N@H+](C1=CC=NC=C1F)N1C=C(C)C2=CC(OC(=O)NC)=CC=C21	1
CCCN(C1=CC=NC=C1F)N1C=C(C)C2=CC(OC(=O)NC)=CC=C21	0
C1=CC=[N+](CCCCCCCCCCC[N+]2=CC=CC=C2)C=C1	2
C1=CC=C2C(=C1)NC1CCCCC1=C2NCCCCCCCC[NH2+]C1CC[NH2+]C2CCCCC12	2
CC1=CC=CC=C1NC(=O)OC1=CC=C2O[C@H]3C[C@](C)(CO3)C2=C1	0
COC1=CC2=C(C=C1OC)SC(C(=O)CCC1=CC=[N+](CC3CCC3)C=C1)C2	1
C(CCC[N+]1=CC2=C(C=C1)C1=C(N2)C=CC=C1)CCC[N+]1=CC2=C(C=C1)C1=C(N2)C=CC=C1	2
CC[C@H](C)C1=[NH+]C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C[C@]35CC[C@@H]2N1)C(=O)C[C@]1(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]41C	2
CCOC(=O)C1=C(C)N=C2N=C3CCCCC3=C(N)C2=C1	0
C[N+]1(CCC(=O)NC2=CC=C3C(=C2)C(=O)C2=C4C(=CC=C2)C=CN=C34)CCCC1	1
NC1=C2C=CC(Cl)=CC2=NC2=C1C1CCC2C1	0
NC1=C2C=CC(Cl)=CC2=[NH+]C2=C1C1CCC2C1	1
CNC(=O)OC1=CC=CC(C[NH+](C)CCCOC2=CC=CC=C2)=C1	1
CC[NH+](CC)CC1=CC=C(/C=C2\CC3=CC(OC)=C(OC)C=C3C2=O)C=C1	1
CNC(=O)OC1=CC=CC2=C1SCC1CC[N@@H+](C)C21	1
CNC(=O)OC1=CC=CC2=C1SCC1CC[N@H+](C)C21	1
C=CC[N+]1=CC=C(CCC(=O)C2CC3=C(C=C(OC)C(OC)=C3)S2)C=C1	1