Uncertainty-Quantificatio / Git / [bc9e98] /data/ADMET/cooked/toxicity

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Uncertainty-Quantificatio
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CC1(C/C(=N\\NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)/CC(=O)C1)C	1
C/C2=N/N(C)C=3NCC/N=C(/C1=C/C=CC([Cl])=C1)C2=3	1
CC1=NN(C(=O)C1)C1=CC(=CC=C1)S(O)(=O)=O	1
C/C(=N\\NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)OC	1
[Na+].CC1=C(Br)C(O)=C(Br)C=C1\C(=C1\C=C(Br)C(=O)C(Br)=C1C)C1=C(C=CC=C1)S([O-])(=O)=O	0
O=C1NC2=C(O1)C=CC=C2	1
CCCO	0
CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C	0
CCN1C(=NN=N1)SCC(=O)C2=CC3=C(C=C2)OCCO3	1
C1CNCCN1	0
O.O.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O	0
CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=CC=C1	1
CC1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3N4C=CN=C4	1
CC1([C@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C)(C)N)C(=O)O)C	0
CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC	0
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O	0
CN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O	0
CC[C@@]1(CC(=O)NC1=O)C	0
CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1	0
CCNC(=S)NNC(=O)CCN1C2=CC=CC=C2C3=CC=CC=C31	1
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C[N+](C)(C)[O-]	0
CC(=O)OCC(=O)[C@@]14OC(C)(C)O[C@@]1([H])C[C@@]5([H])[C@@]3([H])C[C@@]([F])([H])C2=CC(=O)C=C[C@@]2(C)[C@@]3([F])[C@@](O)([H])C[C@@]45C	1
CC1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3NC	1
C[N+](C)(C)CC#CCN1CCCC1=O	0
CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O	0
CN1C2=C(C=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)Cl)Cl)N(C1=O)C	1
N[Pt]1(N)OC(=O)C2(CCC2)C(=O)O1	0
CC1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)C)Cl	1
CC1=CC=C(C=C1)OCCCN2C3=C(C=CC=C3C(=O)C2=O)C	1
CN1C2=NC=NC=C2N=C(C1=O)C3=CC=C(C=C3)Cl	0
C/C(=N\\NC(=S)N)/C1=CC=CN1	0
CC1=CC(=CC(=C1)NC(=O)C/C(=N/O)/N)C	0
Cl.COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C	0
CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2	0
C[C@@H](C1=CC=CC=C1)N2C(=O)[C@H]3CC[C@@H]\\4[C@@H]([C@@H]3C2=O)[C@@H]([C@@H](C/C4=N/NC(=O)OCC5=CC=CC=C5)O)O	0
CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC1=NC=CC=C1	1
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	0
CCCCN1C=C[N+](C)=C1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F	0
CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC=CC=C2	1
CCCN[C@@H](C)C(=O)NC1=CC=CC=C1C	0
CN(C)C1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC(=CC(=C3)F)F)CCC#N	0
CCN(CC)C1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(C=C1)N(CC)CC	0
N#CCCSCCC#N	0
CCCSC(Cl)=O	1
O.Cl.CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O	1
CC1=NC=C(N1C[C@@H](CCl)O)[N+](=O)[O-]	0
CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43	1
CC1=CC=CC(OC2=CC=CC=C2)=C1	0
CC(C)CN1CCC2(CC1)CCN(CC2)C(=O)OC3=CC=CC=C3	0
C[Si](C)(C1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)C(=O)O	0
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@]1([C@@H](C[C@@H]3[C@H]2[C@H](C[C@@H]4[C@]3(CC[C@@H](C4)O)C)O)O)C.C1CNCCN1	0
O[C@@]([H])(CO[C@@]1(CCCCC1)C#C)CN2CCN(CC2)C3=C/C=C(/[F])C=C3	1
CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)N1CCOCC1	1
C1[C@H]([C@H]([C@H]([C@@H]([C@H]1NC(=O)[C@H](CCN)O)O)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CN)O)O)N)N	0
CC1=CC2=C(C=C1)OCC3=C2N(N=C3)CC(=O)O	0
CCC1CCCCN1CCCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C	0
CC(=NOCC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=CC=C3)C	0
[K+].[O-][Cl](=O)(=O)=O	0
CCCC1C(=O)N2N(C1=O)C1=CC(C)=CC=C1N=C2N(C)C	1
C1CCC2=C(C1)C3=C(O2)C=CC(=C3)O	1
C1CC2=CC(=C(C=C2[C@@H]3[C@@H]1NCC4=CC=CC=C34)O)O	0
COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C	0
C1CCNCC1	0
[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	0
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O	0
C[C@@H](CC1=CC(=C(C=C1OC)I)OC)N	0
COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CCF)C(=O)N4CCCC4)CN1C(=O)C5=CC=CC=C5)CC6=CC=C(C=C6)F	0
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC	0
CC1=CC=C(C)C2=C1C=CC=C2	0
C=CCOC(=O)/C(=C\\C1=CC=CC2=CC=CC=C21)/NC(=O)C3=CC=CC=C3	1
NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1	0
CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC	0
CN1N(C(=O)C=C1C)C1=CC=CC=C1	1
CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC(=C2)C(C)(C)C)O)C3CCCCC3	1
CC/C(=C/C)C(=O)NC(N)=O	1
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)C3=CC(=C(C=C3)C)C	0
ClC(=O)C1=CC(=CC(=C1)C(Cl)=O)C(Cl)=O	0
CCOC(=O)C1=C2N(C(=O)CS2)C(=C(C1)C#N)N	1
C[C@H]1C2=CC(=C(C=C2CCN1)OC)OC	0
COC1=CC(\C=C\C(N)=O)=CC(OC)=C1OC	1
C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C	0
C1=CC(=CC(=C1)F)NC(=O)/C(=C\\C2=CC=CO2)/NC(=O)C3=CC=CS3	1
CC1=C(C(CCC1)(C)C)/C=C\\C(=O)O	0
CC1=NN=C(N1/N=C/C2=C(C=C(C=C2)OC)OC)C	0
C1CNCCC1C2=CC=C(C=C2)/C=N\\N=C(N)N	0
CC(C)(C)S(=O)(=O)C1=C(N2C(=C(C=N2)C3=CC=C(C=C3)F)N=C1)N	1
NC1=CC=CC=C1	1
CC1=C2C(=CC=C1)[C@H](C3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	0
Cl.NC1CCN(CC1)C1=NC(Cl)=CC=C1	1
CCC(=O)O[C@H]1CCC2C3CCC4=C[C@H](CCC4C3CCC12C)OC(=O)CC	1
C1CNC(N1)CC2=CC=CC3=CC=CC=C32	0
CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)O[C@H]2C[C@H]3CN4CCC5=C([C@@H]4C[C@H]3[C@H]([C@@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC	0
CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)/C=C(\\C4=CC=CC=C4)/C(=O)O	1
CC=1C[S][C@@]2([H])N(C=1C(O)=O)C(=O)[C@@]2([H])NC(=O)[C@@](N)([H])C3=CCC=CC3	0
CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2	1
COC1=CC2=C(CN([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC2=CC=CC=C2)C(O)=O)C=C1OC	1
C\C=C(/C)C(=O)OCCC1=CC=CC=C1	0
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=C	0
C1COCCN1C2=C(C=C(S2)C(=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4	1
[Cl]/C6=C/C=C5CCC1=CC=CC=C1N(CCCN2CC[C@@]4(CC2)N3CCCC[C@@]3([H])NC4=O)C5=C6	1
NC(=O)CN1C[C@@](O)([H])CC1=O	1
CC[C@@]3([H])OC(=O)[C@@](C)([H])[C@@]([H])(O[C@@]1([H])C[C@@](C)(OC)[C@@](O)([H])[C@@](C)([H])O1)[C@@](C)([H])[C@@]([H])(O[C@@]2([H])O[C@@](C)([H])C[C@@]([H])(N(C)C)[C@@]2(O)[H])[C@@](C)(O)C[C@@](C)([H])C(=NOC)[C@@](C)([H])[C@@](O)([H])[C@@]3(C)O	0
CC1(CCC(CC1)NC(=O)[C@@H](CCC(=O)O)N)C	0
COC1=CC=CC=C1CNC2=NC(=NC=C2)C3=CN=CC=C3	1
C[NH+](C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Cl-]	1
C1[C@@H]([C@@H]([C@H]([C@H]([C@@H]1N)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CN)O)O)N)O[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)O)N	0
CN(C)CC1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3N(C)C	0
COC1=C(C=CC(=C1)C2/C(=C(\\C3=CC=C(C=C3)F)/O)/C(=O)C(=O)N2CCCC(=O)O)O	0
FAIL	0
CN(CC1=CC=CO1)C(=O)C2CCC(=O)N2CC3=CC=C(C=C3)F	1
CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O	0
CC(C)N1N=C(C2=CC3=C(N2)C=CC(O)=C3)C2=C1N=CN=C2N	0
CCCCCCC(=O)C1=CC=CC=C1	0
CS(=O)(=O)N1CCCC(C1)C(=O)N2CCC3(CC2)OCCO3	1
C[C@@]1([H])N(C(=O)[C@@]1([H])NC(=O)C(=NOC(C)(C)C(O)=O)C2=C[S]C(N)=N2)[S](O)(=O)=O	0
COC1=C(C=C(C=C1)C2/C(=C(\\C3=CC(=CC=C3)OC)/O)/C(=O)C(=O)N2C4=CC=CC=N4)OC	0
COC1=CC=CC=C1N2CCN(CC2)C[C@H](COC3=CC=CC4=CC=CC=C43)O	1
CC1=CC=C(N1C(=O)OC(C)(C)C)C(C)C	0
CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC	1
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN(C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]	1
C1=CC=C(C(=C1)C2=NC=CC(=N2)NCC3=CC=CS3)C(F)(F)F	1
CC(=O)SCC1=CC=CO1	1
C[N+](C)(C)CC(=O)N/N=C\\C1=C(C=CC2=CC=CC=C21)O	0
CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]	1
NC1=CC=C(C=C1)S(N)(=O)=O	1
CCOC1=CC2=C(C3=C(C=C(C=C3)N=NC4=C(N=C(C=C4)N)N)N=C2C=C1)N	0
ClC1=CC=C(OS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1	0
CN[C@@]2([H])CC[C@@]([H])(C1=CC=CC=C1)C3=CC=CC=C23	1
CC1=NC2=CN=C(N=C2N(C1=O)C)OC	0
CS(=O)(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4	1
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl	0
NNC(=O)CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1	1
C1CN(CCC12CCN(CC2)C(=O)C3=NC=CN=C3)C4=CC=CC=C4	0
C[C@H]1COC(=O)[C@@H](NC(=O)[C@H](COC(=O)[C@@H](NC1=O)C)C)C	0
ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O	0
C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(=O)N(CCOC(=O)C=C)C1=O	0
CC(C)CCOC(=O)C=CC1=CC=CC=C1	0
O.O.O.[Na+].CCN(CC)C([S-])=S	0
CC1=C(O)C=C(N)C=C1	0
O.N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1	0
Cl.CN(C)CC\C=C1\C2=C(CSC3=C1C=CC=C3)C=CC=C2	0
CCSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)Cl	1
CC(=O)NNC(=O)CCC(=O)NC1=CC=CC=C1	0
CC1=C(N)C=C(N)C=C1	0
CC(C)(C)NCCO	1
CCN2/N=C(/C)C=3NC(=O)C/N=C(/C1=C/C=CC=C1)C2=3	1
CCCCOC1=CC=C(C=C1)C(=O)N/C(=C\\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OCCC	0
C1CCN(CC1)/C=C/2\\C=C(SC2=O)C3=CC=CC=C3	1
C1=CC=C(C=C1)C2=NC(=O)NC(=C2)C(F)(F)F	0
CC(C)(C1=CC=C(C=C1)OCC(CN(C)C)O)C2=CC=C(C=C2)OCC(CN(C)C)O.Cl	0
CN(C)CCC1=CNC2=C1C=C(C=C2)OC	0
CC1=C(CC(O)=O)C2=C(C=CC(F)=C2)\C1=C/C1=CC=C(C=C1)S(C)(=O)=O	0
CC[C@H](CN(C)C)C(=O)C1=CC=CO1	0
CN(C)CCO/N=C2/C1=CC=CC=C1CCC3=CC=CC=C23	1
CN(C)C(=O)NC1=CC=CC(OC(=O)NC(C)(C)C)=C1	0
CCC1=CC=C(C=C1)OCCNC(=O)C2=C(C=CC(=C2)SC)Cl	1
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)[N+](=O)[O-]	0
CN1C2=C(C=C(S2)C3=NN=C(N3C)SCC#C)C(=N1)C(F)(F)F	0
NC1=CC=C(C=C1)C(=O)OCC(O)CO	1
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C	1
COC1=CC2=C(C=C1)NC=C2CCNC3=NC=NC4=C3C=C(C=C4)C5=CC(=CC=C5)OC	1
O[C@H]([C@H](O)C([O-])=O)C(O)=O.O[C@H]([C@H](O)C([O-])=O)C(O)=O.C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1	1
C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)S(=O)(=O)N	0
CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O	1
C1C=CC[C@@H]([C@H]1C(=O)NC2=CC(=CC=C2)O)C(=O)O	0
CC1=C(C2=CC=CC=C2N1)C(=O)/C=C/C3=CC=CC=C3	1
CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1	0
CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)NC(=C)C(=O)N[C@@H](C(=O)N[C@]23CCC(=N[C@@H]2C4=CSC(=N4)[C@@H]([C@@H](OC(=O)C5=NC6=C(C=C[C@@H]([C@H]6O)N1)C(=C5)[C@H](C)O)C)NC(=O)C7=CSC(=N7)[C@H](NC(=O)[C@@H]8CSC(=N8)/C(=C/C)/NC(=O)[C@H](NC(=O)C9=CSC3=N9)[C@H](C)O)[C@@](C)([C@H](C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C	0
COC1=CC=C(C=C1)NC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O	1
OC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO	1
COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C	0
CN1C=CC=C1C(=O)N2CCC3(CCCN(C3)C(=O)NC4=CC=CC=C4)CC2	0
OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2	1
CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4	0
CC1=CC=C(C=C1)S(=O)(=O)N[C@H](/C=N\\OC[C@H]2[C@H](C=C[C@H](O2)C3=CC=CC=C3)OC4=CC=C(C=C4)OC)[C@H](C)/C=C\\CC(=O)OC	1
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CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)I)C(=O)C4=CC=C(C=C4)OC	0
C1CC=C(C(=O)C1)[C@H](CCOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O	1
OS(O)(=O)=O.CC(C)NNC(=O)C1=CC=NC=C1	0
C1=CC(=CC=C1C(=O)NP(=O)(N)N)F	0
CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)F)C=C2	0
CC1=CC(=O)OC2=C1C=CC(=C2)O	0
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(O)=O	1
COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC=CO2)OC	0
C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4	0
OC1(CCNCC1)C1=CC=C(Cl)C=C1	1
CCOC(=O)O[C@@](C)([H])OC(=O)[C@@]3([H])N2C(=O)[C@@]([H])(N=CN1CCCCCC1)[C@@]2([H])[S]C3(C)C	0
OS(O)(=O)=O.CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3=CC=CC4=C3CCC4)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1	1
CC1=CC(=NC(=N1)SCCC2=CC=CC=[N+]2C)C	0
CCN(CC)CCN1C(/C(=C(/C2=CC(=CC=C2)OC)\\O)/C(=O)C1=O)C3=CC=CC=N3	0
CC1=CC=C(C=C1)C2=C(C3=NC4=C(CCCC4)C(=O)N3N2)C	1
COC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NCC4=CN=CC=C4	1
[K+].CCCCC([O-])=O	1
C[C@@H]1COC(=O)C/C=C\\[C@H]([C@H](COC1=O)NS(=O)(=O)C2=CC=C(C=C2)C)C	0
[Na+].COC1=CC=C(\C=C\S(=O)(=O)[N-]C(=O)C2=CC=C(C)C=C2Cl)C=C1	0
C1=CC(=C(N=C1)Cl)C(=O)NC2=CC3=C(C=C2)OC(=O)C=C3	0
C1=CC(=CC=C1N2C(=NC(=NC2=N)N)N)S(=O)(=O)N	0
CN(C)C(=O)CC(C)=O	0
COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC(=CC(=C3)F)F)NC4=CC(=CC=C4)OC	0
S(C1=CC=CC=C1)C1=CC=CC=C1	0
C[C@H]1CC[C@@]2([C@H]([C@@H]3[C@H](O2)C[C@@H]4[C@@]3(CC[C@@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1	0
COP(Cl)(=S)OC	0
COC(=O)CC(C)=O	1
CCCCCCCCCCCCCCCC(O)=O	0
CC[C@H](CO)NC(=O)[C@@H]1CN([C@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C	0
CC1=NC2=CN=C(N=C2N(C1=O)CCC3=CC=CC=C3)OCC4=CC=CC=C4	1
CCOC(=O)C1=CC=C(C=C1)N	0
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@@]1([C@@H](C[C@@H]3[C@@H]2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C.[Na+]	0
CC1=CC=C(C=C1)C(=O)OCN2C(=O)C(=C(C=N2)Cl)Cl	1
C[C@H]1CCC[C@H](O)CCCCCC2=C(C(O)=CC(O)=C2)C(=O)O1	0
ClC1=CC=C(CN(C2CCCC2)C(=O)NC2=CC=CC=C2)C=C1	0
C[C@@H]1C[C@H]2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C	0
ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl	0
C[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)N	0
CC1CCC(CO)CC1	0
C[C@H]1[C@H](NC(=O)C(=NOC(C)(C)C(O)=O)C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O	0
COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1	0
[Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1	1
CC1=CC=C(C=C1)SC2=C(C(=CC(=N2)C)C)S(=O)(=O)C	1
C1=CC=C(C=C1)C(=N)N	0
CC(C)(C)OC(=O)COC1=CC2=C(C(=C1)OCC(=O)OC(C)(C)C)C(=O)C=C(O2)C3=CC=CC=C3	1
C1=CC(=CC=C1NC(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)OC(F)(F)F	1
Cl.CCCCCCCCCCCCN	0
OC(=O)C1=C(O)C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C2C=CC=CC2=C1	0
CN(C)C1=CC=C(C=C1)/C=C/2\\C3=CC=CC=C3NC2=O	0
CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(O)=O)O1	1
CC1=C2[C@@H](C(=O)[C@]3([C@@H](C[C@@H]4[C@@]([C@@H]3[C@@H]([C@](C2(C)C)(C[C@@H]1OC(=O)[C@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	0
CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]	1
[K+].OC1=CC=C(O)C(=C1)S([O-])(=O)=O	0
CCCCC1C(=O)N(/C(=N\\N=C\\C2=CC=C(C=C2)OC)/S1)CC3=CC=C(C=C3)OC	1
CC(C)(C(=O)O)OC1=CC=C(C=C1)[C@@H]2CC2(Cl)Cl	0
CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=CC=CC=C3Cl	1
CCC1(CCC(C)(C)[H])C(=O)NC(=O)NC1=O	1
C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O	0
C1CC1NC2=NC(=NC=C2)C3=COC=C3	0
[Ca++].CCCCCCCC\C=C\C([O-])=O.CCCCCCCC\C=C\C([O-])=O	0
Cl.N(C=CC=CC=NC1=CC=CC=C1)C1=CC=CC=C1	0
CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C	1
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1	0
CC(=O)OC1=CC=CC(O)=C1	1
[Cl]/C5=C/C=C4[S]C1=CC=CC=C1/C(=C/[C@@]2([H])CN3CC[C@@]2([H])CC3)C4=C5	1
NC(=O)CN1CC(O)CC1=O	1
CC1=CN=C(C=N1)C(=O)NCC2=CC=C(C=C2)OC	1
C1=CC(=CC=C1N=NC2=CC=C(C=C2)[As](=O)(O)O)O	0
CCOC1=CC=C(C=C1)C2=[N+](C(N(C2(C)C)O)(C)C)[O-]	0
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C	0
CCCC1=CC=C(O)C=C1	0
CCC(CC)C(=O)NC1=C2C=NN(C2=NC(=O)N1C3=CC=CC=C3)C4=CC=CC=C4	0
[Cr++].[CH-]1C=CC=C1.[CH-]1C=CC=C1	1
C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4	1
CN(CCO)CCO	0
C[C@@]1(C[C@H]([C@@]2([C@H]1[C@@H](OC=C2)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O)OC(=O)/C=C\\C4=CC=CC=C4	0
COP(O)(=O)OC	0
C[C@@H](C[N+](C)(C)C)OC(=O)N	0
CCCCNC(=O)C(=O)NC(C)CCC1=CC=CC=C1	1
CC1=C2CC(OC2=C(C=C1)NS(=O)(=O)C3=CC=CC=C3Cl)(C)C	1
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O	0
C[C@H]1CC[C@H](N([C@@H]1C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)/C=N\\OC[C@H]4[C@H](C=C[C@H](O4)C5=CC=CC=C5)OC6=CC=C(C=C6)OC)C(=O)OC	1
CN(C)C1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC(=CC(=C3)F)F)C[C@H]4CCCO4	0
FAIL	0
COC(=O)[C@H]1C[C@@H]1[C@@H](C2=CC=CC=C2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4	0
CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1	0
CN(C)C(=S)C1=CC(=C(C=C1)OC)OC	1
CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1	1
CC(=O)NC[C@@]2(CCN(CCCC(=O)C1=C/C=C(/[F])C=C1)CC2)C3=CC=CC=C3	1
CCCCCCCCCCCCCCCC(=O)NCCO	1
O=C1C=CC(=O)N1C1=CC=CC=C1	0
COC1=CC=CC=C1CN2CCC3(CCNCC3)CC2	0
[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C	1
C1N(C2=NC3=CC=CC=C3N=C2N1S(=O)(=O)C4=CC=CS4)CC5=CC=C(C=C5)Cl	1
CCCCC(CC)COCCO	0
CC1=C(C(=NO1)C)C(=O)N2CCC3(CCN(CC3)CC4=CC=CC=C4)CC2	0
CC1=NC2=CN=C(N=C2N(C1=O)CCC#N)N3CCNCC3	0
CC1=CC=C(C=C1)C(=O)NC2=CC3=NC=CN=C3C=C2	1
[F]/C1=C/C=C(C=C1)[C@@]2([H])CCNC[C@@]2([H])CO/C4=C/C=C3OCOC3=C4	1
CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)CCC5=CC=CC=C5	0
OCCOC1=CC=CC=C1	0
CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl	0
CC1(CC(=C(C(=O)C1)C(C#CC2=CC=CC=C2)C3=C(CC(CC3=O)(C)C)O)O)C	1
CC1=CC=C(S1)/C=C/2\\C(=O)N(C(=O)N2)CC3=CC=CC=C3	1
Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(O)=CC=C4N(C)C)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O	0
CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1	0
C1CN(C[C@@H]1C2=CNC3=CC=CC=C32)CCN4CCOCC4	0
[O-][N+](=O)C1=CC=CC2=CC=CN=C12	0
COC1=CC=CC(=C1)CN2C3=NC(=NC=C3N=C(C2=O)C4=CC=CS4)N5CCOCC5	0
Cl.COC1=CC2=C(C=C1OC)C(CC1=CC(OC)=C(OC)C=C1)=NC=C2	0
CC1=C(C(=CC=C1)C)OCC(CNC(C)(C)C)O.Cl	0
NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1	0
CNC(=O)ON=C(SC)C(=O)N(C)C	0
CN1CCN(CC1)C2=NC=NC(=C2)C3=COC=C3	0
Cl.CN1C=C(C(=O)[C@@H]2CCC3=C(C2)N=CN3)C2=C1C=CC=C2	0
[As]#[In]	0
C[C@@]4([H])C[C@@]3([H])[C@@]2([H])CCC1=CC(=O)C=C[C@@]1(C)[C@@]2([F])[C@@](O)([H])C[C@@]3(C)[C@@]4(OC(=O)C5=CC=CO5)C(=O)COC(C)=O	1
CCC[C@@]([H])(CC)[C@@]1(CC)C(=O)NC(=O)NC1=O	1
CN(C)CC/C=C2/C1=CC=CC=C1C[S]C3=CC=CC=C23	1
CS(=O)(=O)N1CCC2(CCN(CC2)CC3=CC=C(C=C3)C#N)CC1	0
C1=CC=C(C=C1)CCC2=NC3=CN=C(N=C3N(C2=O)CCC#N)NC4=CC=CC=C4	0
CCOC1=CC=CC=C1/C=C(\\C#N)/C(=O)N	0
C1=CC(=C(C=C1O)[C@H](C(=O)O)N)Cl	0
CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C(Cl)Cl)OCC	1
COC1=CC(C=CC)=CC=C1O	0
CC1=CC(=C(C(=O)O1)/C=N/NC2=CC=C(C=C2)Cl)O	1
Cl.CC(C)NCC(O)COC1=CC=CC=C1OCC=C	1
COC1=CC=C(C=C1)C[C@@]2([C@@H]3[C@@H](CC4=C3C=C(N4CC5=CC(=C(C=C5)Cl)C(F)(F)F)C(=O)N6CCCC6)CN2C(=O)C7=CC=CC=C7)C(=O)OC	0
CC(C)=CC1C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C	1
Cl.CCN(CC)C(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)(C)C)C=C1	1
CN1CCN(CC1)C2=C(C=C(C(=C2)N3CCCC3)[N+](=O)[O-])F	1
CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSCC3=CC=CC=C3)C(=O)OC	1
CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O	0
CC(C)CCC(=O)O.C[C@]12CCC[C@@H]1[C@H]3[C@H](CC2=O)[C@@]4(CCC(=O)C[C@@H]4CC3=O)C	0
CC(=O)C(O)=O	0
C#CCSC1=NNC(=N1)C2=CC=CO2	0
C1=CC=C(C=C1)/C(=N/NC2=NC3=CC=CC=C3S2)/C4=CC=CC=N4	0
CC(=O)NC1=CC=C(S1)C2=CC=CC=C2	0
C1CC1N2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC=C4)OC5=CC(=CC=C5)Cl	0
COC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4	1
O=[Bi]O[Bi]=O	1
NC1=CC(N)=CC=C1	0
OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O	1
CN(CC1=CC=CO1)C2=NC=NC(=C2)C3=CC=CC=C3Cl	1
COC(=O)C1=CC(=O)NC(=O)N1	0
OCCBr	0
CC(Cl)=CCCl	0
C/C(=C\\C1=CC=C(C=C1)Cl)/C(C)(C)C(=O)O	0
CC1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC=CC=N4	0
OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)CC1=CC=CS1	1
ClC1C2OC2C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl	0
OC(=O)CF	0
C=CC(=O)OCC1CCC2C3CC(CC3COC(=O)C=C)C12	0
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O	0
CCCC(=O)OCCC1=CC=CC=C1	0
COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C	0
C1=CC=C(C=C1)SCCC2=CC=NC=C2	1
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\\C2=CC=CC=C2OCC3=CC=CC=C3	1
CCO[Si](CCCNC(N)=O)(OCC)OCC	0
CC(C)NC(=O)N1CCC2(CCN(CC2)C(=O)C3=CSN=N3)CC1	0
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)NC5CCCC5	1
CC1CC2=C(C=CC=C2)N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O	1
O=C1NC(=S)NC=C1	1
C(N1C=CC=C1)C1=CC=CO1	1
C1CSCCN1C2=C(N=NC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4	1
COC1=CC2=C(N=CC=C2)C(NCCCC(C)N)=C1	0
CN1CCN(CC1)C=C5N=C4C/N=C(/C2=C/C=C/C=C2/[Cl])C3=CC(=CC=C3N4C5=O)N(=O)=O	1
C1CN(CCN1)C2=NC=NC3=C2C=C(C=C3)C4=CN=CC=C4	0
CC1C(N(C(=O)C(=O)N1OC)OC)(C)C	0
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O	0
COC(=O)CNC(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Br)NC(=O)CCN3CCOCC3	1
CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(O2)Br	1
CN(C)C1=CN=CC=N1	1
C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O	0
CCCCOC(=O)C(=O)[C@@]3([H])[C@@](C)([H])C[C@@]4([H])[C@@]2([H])C[C@@]([F])([H])C1=CC(=O)C=C[C@@]1(C)[C@@]2([H])[C@@](O)([H])C[C@@]34C	1
CN1[C@@H]2CC[C@H]1CC(C2)O[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl	0
CCOC(=O)C1=C(C(=O)N(C1)CC2=CC=CC=C2)O	1
Cl.CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=C1C=CC=C2	0
NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2	0
C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)N)Cl.Cl	1
[H][C@@]13CNCCN1CCC2=CC=CC=C23	1
CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1	0
CCOP(=S)(OCC)O\N=C(/C#N)C1=CC=CC=C1	0
CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3C2=CCCN2CCN(C)CC2)C=C1	0
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	1
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COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1	1
NCCCNCCSP(O)(O)=O	0
CCOC1=NC(=NC(=N1)NC(C)C)NC(C)C	0
CN(C)CCNC(=O)C1=C(C=CC(=C1)Br)Cl	0
CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=C(C=CC=C5)[C@]44C[C@@H](C2[C@H]4O)N3[C@@H]1O	1
C[C@@H](CC1=CC=C(C=C1)I)NC(C)C	0
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO	0
CC1=C(C)C(O)=CC=C1	0
CC(=CCC/C(=C/CO/N=C\\1/C[C@H]([C@H]([C@H]2[C@H]1CC[C@H]3[C@H]2C(=O)N(C3=O)C4CCCCC4)O)O)/C)C	0
C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=NC=CC=C42)C(=O)N1CC(F)(F)F)C1=CC=CC=C1	0
CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F	0
CCC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2CCCO2	0
C1COCCN1C2=NC=C3C(=N2)N(C(=O)C(=N3)CCC4=CC=CC=C4)CCC5=CC=CC=C5	1
C[C@H]/1COC(=O)[C@H]2CCCN2C(=O)C/C=C\\[C@H]([C@H](COC(=O)C/C=C1)OC)C	0
[O-][N+](=O)C1=C(CC#N)C=CC=C1	1
COC1=CC=C(C=C1)C(=O)N2CCC3(CC2)CCN(CC3)C(=O)NC4=CC=CC=C4	0
C1CN(CCN1CC2=CC=CO2)C(=S)NCC3=CC=CO3	1
[O-][N+](=O)C1=CC=CC=C1C1=CC=CC=C1	0
CC1=C(C)C(C(=O)NC2=CC=CC=C2)=C(C)O1	0
CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1	0
[Na+].CC1=NN(C(=O)C1\N=N\C1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O	0
CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2CCCCC2	0
CC(O)C(C)=O	0
CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.CC(=O)O	0
OCCCC1CCCCC1	1
O.O.Cl.Cl.CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2	0
O=C1CCO1	1
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	0
CN1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)Cl	0
C1CC(OC1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=CC=C5)N	1
C[C@@H]1O[C@@H]1P(O)(O)=O	0
CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)CC(C)C	1
CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O	1
NC1=CC=CC=C1NC1=CC=CC=C1	0
CCCC(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=N2)C)C)C#N	1
OC(=O)C1=CC=C(O)C=C1O	1
O[Bi]1OC(=O)C2=CC=CC=C2O1	1
CC1=CC=CC=C1C(C(=O)NCC2=CC=CC=C2)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4	1
CN(CC1=CC=CO1)C2=NC=NC(=C2)C3=CC(=CC=C3)OC	1
CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1	1
O.O.O.[Na+].[Na+].NC1=C(CC([O-])=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1.NC1=C(CC([O-])=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1	0
CC1=CC=CC=C1OCC1CO1	0
C[C@@]([H])(C/C1=C/C=CC=C1)N(C)C	1
COC1=C(C(=CC(=C1)CNC2CCCC2)Cl)OCC3=CC=CC=C3Cl.Cl	1
C1=CC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)N=C1	1
CCN(CC)C(=S)SSC(=S)N(CC)CC	1
C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=C(C=C(C=C3)F)Cl	0
[Na+].CN(C)C=NC1=C(I)C(CCC([O-])=O)=C(I)C=C1I	1
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=C(C=C3)O)OC	0
CN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC=C3)OC	0
COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCC(=O)NC3=NC=CS3)C4=CC=CC=C4	1
[O-]S(=O)(=O)C(F)(F)F.CCCC[N+]1(C)CCCCC1	0
CC1=NC2=CN=C(N=C2N(C1=O)CCOC)N3CCNCC3	0
CC1=C(O)C=CC(Cl)=C1	0
C1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@@H](O3)C(=O)O)O)O)N	0
COC[C@@]3([H])C/N=C(/C1=C/C=C/C=C1/[Cl])C2=CC([Br])=CC=C2N3C	1
CCC(CC)NC1=CC(C)=C(C)C=C1	0
CCCC1=CC=C(OC)C=C1	0
COC1=CC=C(C=C1)CN2CCN3C(=CC(=N3)C(=O)OC)C2=O	1
CC1=C(ON=C1C2=CC=C(C=C2)Cl)C3CCN(CC3)CCC4=CC=CC=C4	0
FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=C(C=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=CC=CC=C12	0
CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC	0
C1=CC=C(C(=C1)C#N)NC(=O)NC2=CC=CS2	0
ClC(Cl)(Cl)Cl	1
CC(C)(CO)COC(=O)C(C)(C)CO	0
CCCN1C2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4	1
CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)/C(=N/OC(=O)NC(C)C)/C	1
C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O	1
CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)C5CC5)N6CCNCC6	1
CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O	0
CC1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O	1
CCN1C=C[N+](C)=C1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F	0
C[C@@]3(CN1C=CN=N1)[C@@]([H])(N2C(=O)C[C@@]2([H])[S]3(=O)=O)C(O)=O	0
C1CN2CCC1[C@H](C2)CN3C4=CC=CC=C4SC5=CC=CC=C53	0
CC1=CC(=NC(=N1)NC2=NCCS2)C	0
CC\C=C/CCOC(=O)C(C)C	1
C1C[C@@]2(CCN(C2)C(=O)NC3=CC=CC=C3)CN(C1)C(=O)C4=CC=CO4	0
COC1=CC(C=C2CCCC(=CC3=CC=C(O)C(OC)=C3)C2=O)=CC=C1O	0
CCNC(=O)CN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O	1
C1[C@@H]([C@H]1C(=O)NCCC2=CNC3=CC=CC=C32)[C@@H](C4=CC=CC=C4)NP(=O)(C5=CC=CC=C5)C6=CC=CC=C6	1
CS(=O)(=O)N1CCC2(CC1)CN(C2)C(=O)NC3=CC=CC=C3	0
CC(C)COC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N	1
CC(C)C(C#CCN1CCCC1)(C2=CC=CC=C2)O.Cl	1
CC(C1=CC=C(C=C1)F)N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3	1
C[C@H]1CCC/C=C\\[C@H]2C[C@H](C[C@@]2(C/C=C\\C(=O)O1)O)O	0
NC(CC1=CC=C(F)C=C1)C(O)=O	0
CCOC(=O)C=2NC1=CC(OC)=C(OC)C=C1C=2CCN3CCN(CC3)C4=CC=CC=C4	1
ClCN1C(=O)C2=C(C=CC=C2)C1=O	1
CCOP(=S)(OCC)OC1=CN=C2C=CC=CC2=N1	0
CN1CCN(CC1)C(=O)O[C@@]2([H])N(C(=O)C=3[S]CC[S]C2=3)C5=CC=C4C=CC([Cl])=NC4=N5	1
C1COCCN1CCNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4	0
CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3	0
CN1CCC=C1NC(=O)NC1=C(C)C=CC=C1C	1
CC(C)(C)OC(=O)C1=C2[C@@H]3CCCN3C(=O)C3=C(C=CC=C3Br)N2C=N1	1
Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)C4=C(C(O)=CC=C4Cl)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O	0
C[C@H]1[C@@H](OC(=O)C[C@@H](C[C@@H](C[C@@H](CC[C@@H]([C@@H](CC(=O)C[C@@H]([C@@H]([C@@H](C[C@@H](C=CC=CC=CC=CCCC=CC=C[C@@]([C@H]1O)(C)O)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)O)N)O)O)C(=O)O)O)O)O)O)O)O)C	0
C1CN(CC2=CC=CC=C21)C3=NC=C4C(=N3)CC(CC4=O)C5=CC=CC=C5	1
CCN1CNC(=S)N(C1)C2=CC=CC=C2OCC	0
NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F	0
CCN1CCC2=C(C1)SC(=N2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4	1
C[N+]1([C@@H]2CC(C[C@@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4)C	0
CCO[C@@]2([H])C1=CC=CC=C1N(C)C(=O)C3=CC=CC=C23	1
[O-][N+](=O)C1=CC=CC=C1C(F)(F)F	0
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57	1
CN(C1=CC=C(C=C1)Cl)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5	1
CCC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3	1
CNCC[C@@]([H])(O/C1=C/C=C(C=C1)C([F])([F])[F])C2=CC=CC=C2	1
FAIL	0
O=C(N1CCN(CC2=CC=CC=C2)CC1)C1=CC2=C(O1)C=CC=C2	0
CC1=CC=C(C=C1)S(O)(=O)=O.CS(=O)(=O)OCCCNCCCOS(C)(=O)=O	1
CC(=O)N1CCC2(CC1)CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4	0
CN1CCN(CC1)CC/C=C/2\\C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C	0
[Br]/C1=C/C=CC(=C1)[C@@]2([H])CC(=O)NC2=O	1
C1[C@H]2[C@@H]([C@@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O	0
CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C	0
CN(C(=O)CNC(=O)CN)C1=C/C=C(/[Cl])C=C1C(=O)C2=CC=C/C=C2/[Cl]	1
C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1	1
CC1=C(C=CC2=C1OC(=O)C3=C2C=CC(=C3)OC)OCC(=O)N4CCC5=CC=CC=C5C4	1
Cl.CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	0
OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl	0
COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)C4=CC=CC=C4)N5CCNCC5	0
C1CCC2=C(C1)N=C(N=N2)CCCCC3=NC4=C(CCCC4)N=N3	0
CCOC(=O)C1=C(C)N(C)C2=CC=C(O)C=C12	1
CC1=NC2=CN=CN=C2N(C1=O)CCC3=CC=CC=C3OC	1
CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2C[C@@H](C[C@@H]2C2=CC=CC(F)=C2)N(C)[C@H](C(C)C)C(O)=O)CC1	0
C1CN(CCC12CCN(CC2)C(=O)C3=NC=CN=C3)CC4=CC=C(C=C4)C#N	0
[Na+].[Na+].COC1=CC=CC=C1\N=N\C1=C(C=C2C=C(C=C(NC(C)=O)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O	0
C(COC[C@@H](C(=O)O)N)N	0
CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC(=O)N	0
COC1=CC=C(C=C1)C(=O)N2CCC3(CC2)CN(C3)C(=O)NC4=CC=CC=C4	0
CCN1CCCC1CNC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	1
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC5=NNC=C5C[C@]4(C)[C@H]3CC[C@]12C	0
[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O	1
CC1=CC(=C(S1)C)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N	1
CC1=CC=C(C=C1)/C(=C/CN2CCCC2)/C3=CC=CC=N3	0
CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)COC1=CC=C(OC)C=C1	0
CC1=CC(=NN1)NC(=O)NC(=O)C2=C(C=C(C=C2)F)F	1
CC(=O)OCC1=C(N2[C@H]([C@@H](C2=O)NC(=O)/C(=N\\OC)/C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]	0
C[C@@]4([H])C[C@@]3([H])[C@@]2([H])C[C@@]([F])([H])C1=CC(=O)C=C[C@@]1(C)[C@@]2([Cl])[C@@](O)([H])C[C@@]3(C)[C@@]4([H])C(=O)COC(C)=O	1
CC1=CC(N)=NO1	0
CC(C)C1=NN(C(C1)(C(=O)OC)O)C(=O)C2=CC=C(C=C2)Cl	1
CC1=CC=C(C=C1)OCC(=O)NC2=NCCS2	1
CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1	0
C/C(=N/NC(=O)C1=CC=NC=C1)/C2=CC=CC=C2Cl	0
CCN(CC)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=CC=C2OC	0
CCN2C[C@@]([H])(CCN1CCOCC1)C(C2=O)(C3=CC=CC=C3)C4=CC=CC=C4	1
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCC1=CC=CC=C1	0
C1CNCCN1.C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	1
CC1(C)C2CCC(C)(C2)C1=O	1
ClC1=CC=CC(Cl)=C1C=O	0
OC(=O)C1=CC=C(C=C1)N1N=C(N=C1C1=CC=CC=C1O)C1=CC=CC=C1O	1
CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C)C4=CC=CC=C41	1
CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C)C	1
COC1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(C=C1)S(C)=O)C(F)F	0
CC1CN(CCN1C(=S)NC2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F	0
COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1	0
CCCCCCCCOCCCN	0
C(=O)(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)O	0
CNC[C@H](O)C1=CC(O)=CC=C1	1
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)[C@H]4COC5=CC=CC=C5O4)N)OC.CS(=O)(=O)O	0
C1=CC=C(C=C1)C2=NC=C(S2)C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)F	1
C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O	1
O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1	0
CN1[C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4	0
CC(C)(OO)C1=CC=CC=C1	0
C1=CC(=C(C=C1/C=N\\N2C(=NN=N2)N)[N+](=O)[O-])Cl	1
COC(=O)N1CCC2(CCCN(C2)C3=CC=C(C=C3)C4=CC=CC=C4)CC1	0
C1=CC(=C(C=C1NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])Cl)Cl	1
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)SC	0
CCC1=CC=C(C=C1)/C=C\\C(=O)N2CCC3=CC=CC=C3C2	1
CNCCO/N=C2/C1=CC=CC=C1C=CC3=CC=CC=C23	1
CCC[C@@]1([H])C[C@@]([H])(N(C)C1)C(=O)N[C@@]([H])([C@@](C)([Cl])[H])[C@@]2([H])O[C@@]([H])([S]C)[C@@]([H])(O[P](O)(O)=O)[C@@](O)([H])[C@@]2(O)[H]	0
C1=CC(=CC=C1C(=O)CCC(=O)O)Cl	0
CC(C)C1=CC2=CC3=C(N=C2C=C1)SC(=C3N)C(=O)N4CCC5=CC=CC=C5C4	1
COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC3=C(C=C(C=C3)Cl)Cl.Cl	1
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CC(=O)NCCC1=CNC2=C1C=C(C=C2)NC(=O)OC	0
CC(=C)O[Si](OC(C)=C)(OC(C)=C)C=C	1
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)CC3=CC=CC=C3	1
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3	1
OC1=CC=CC2=C1C=CN2	0
C1=CC=C(C=C1)SCCC(=O)NN	1
C1CCC(CC1)N2C(=O)[C@@H]3CC=C4[C@H]([C@H]3C2=O)[C@@H]([C@H]5[C@@H](C4=O)O5)O	0
CC1=CC(=NC2=NN=C(N12)SCC(=O)N(C)C3CCS(=O)(=O)C3)C	0
CC1=C2CCCC2=NC(=N1)S(=O)(=O)C3=CC(=CC=C3)Cl	1
CN(C)C(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN=C3N4CCNCC4	0
C1=C2[C@H]3[C@H]([C@@H]4[C@H](C2=CC(=C1C(=O)O)S(=O)(=O)O)[C@]5(C(=C([C@@]4(C5(Cl)Cl)Cl)Cl)Cl)Cl)[C@@]6(C(=C([C@]3(C6(Cl)Cl)Cl)Cl)Cl)Cl	0
CC(C)CCOC(=O)C1=CC=C(C=C1)N(C)C	0
CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C	1
COC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35	1
CS(O)(=O)=O.CCOC(=O)C1=CC(N)=CC=C1	0
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC(=O)C1=CC=CN=C1	1
COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C=N3)C4=CC=CS4)N	0
O.O.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	1
CCCCC1=C2C3=CC=CC=C3NC2=NC4=CC=CC=C41	0
CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1	0
NCC[C@@](O)([H])CN[C@@]2([H])C[C@@](N)([H])[C@@]([H])(O[C@@]1([H])O[C@@]([H])(CN)[C@@](O)([H])[C@@](O)([H])[C@@]1(O)[H])[C@@](O)([H])[C@@]2([H])O[C@@]3([H])O[C@@]([H])(CO)[C@@](O)([H])[C@@](N)([H])[C@@]3(O)[H]	0
CC1=C(C(N2C(=C(SC2=N1)C#N)N)C3=CC=C(C=C3)OC)C(=O)OC	1
C1CN(CCC12CCN(CC2)C(=O)C3=CSN=N3)C4=CC=CC(=C4)C5=CC=CC=C5	0
COC1=CC=CC=C1C2=CC(=NC=N2)NCC3=CC=CS3	1
CCCCCCCC\C=C/CCCCCCCC(N)=O	0
CCN(CC)C1=CC=C(C=O)C(O)=C1	0
OC(=O)C1CCC1	1
C1CC1C2=NN=C(S2)NC(=O)C3=CC=NC=C3	1
CC1=CC2=C(C=C1)NC3=C(C=CC=N3)N=C2N4CCN(CC4)C	0
ClP(Cl)(=O)C1=CC=CC=C1	1
CC(O)CCC=C(C)C	1
COCCCC/C(=N/OCCN)/C1=CC=C(C=C1)C(F)(F)F	1
CO/C1=C/C=C(/[Cl])C2=C1CCC[C@@]2([H])N(C)C	1
C1=CC=NC(=C1)C[C@@H](C(=O)O)O	0
C[C@H]([C@@H]1C[C@@]1(C)[C@H](C2=CC=CC=C2)NC(=O)C)C(=O)NC3=CC4=CC=CC=C4C=C3	1
CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)C)C	0
C1=CC2=C(N=C1)N=C(N2)/C(=C/C3=CC=C(C=C3)Cl)/C#N	1
C1OC2=C(O1)C=C(C=C2)C3=CC4=C(C=C3)N=CN=C4NC5=CC=CC=C5	0
CN(CC1(C)CCCO1)S(=O)(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O	1
CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N=CN=C3N4CCC(CC4)C(=O)O	0
CC1CCCN(C1)CCCNC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl	1
CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O	0
CCCCOCCOCCOC(C)=O	0
O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5	0
CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1	0
NC(N)=O	0
CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O	1
COCC(C)OC(C)=O	0
CN1CCN(CC1)C3=NC2=CC([Cl])=CC=C2NC4=CC=CC=C34	1
CN(CC#C)C/C1=C/C=CC=C1	1
C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4	0
C1CN(CC2=CC=CC=C21)C3=NC(=CS3)C4=CC=CC=C4	1
COC1=CC(=O)OC(\C=C\C2=CC=CC=C2)=C1	0
COC1=CC=CC2=C1NC=C(C2=O)C(=O)NCC3=CC=CS3	1
COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C	0
C1=CC=NC(=C1)CNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl	0
CN(C)CCCN2C1=CC=CC=C1CCC3=C/C=C(/C#N)C=C23	1
CS/C(=N/N=C/C1=CC=C(C=C1)[N+](=O)[O-])/N.I	1
CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5	0
CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C)CCCOC	0
NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O	1
FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl	0
Cl.NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl	1
[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C	1
[Na+].[Na+].OC1=C(\N=N\C2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O	0
CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N/N=C/C3=CC=CC=C3O)[N+](=O)[O-]	0
COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CC4=CN=C(C=C4)C(F)(F)F)C(=O)N5CCCC5)CN1C(=O)C6=CC=CC=C6)CC7=CC=CC=C7	1
COC1=CC=C(C=C1)S(=O)(=O)NC1=NN=C(CC(C)C)S1	0
COCC(=O)N1CCC[C@]2(C1)CCN(C2)CC3=CC=C(C=C3)C#N	0
C[C@H]([C@H]1C[C@]1(C)[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)NC4=CC5=CC=CC=C5C=C4	1
C1COCC[N+]1(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3	0
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	0
Cl.CC(CC1=CC2=C(OCO2)C=C1)NO	1
CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC5=CC=CC=C5C=C42	0
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	0
C[C@@H]1CC2=CC3=C(C=C2C(=NN1)C4=CC=C(C=C4)N)OCO3	1
C=CCN1CCC2=C(C(=C(C=C2[C@@H](C1)C3=CC=CC=C3)O)O)Br	0
CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C	0
CN1CC[C@]23[C@H]4NC5=CC=CC=C5[C@@]2([C@@H]1NC6=CC=CC=C36)CCN4C	0
FAIL	0
CC(=O)CC(C)(C)O	0
F[B-](F)(F)F.CCCC[N+]1=CC(C)=CC=C1	1
C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCC4=CC=CC=C4C3	1
O=C1OC(=O)C=C1	1
CC(C)(C)C1=CC(=CC=C1)OC2=NNN=N2	1
CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)C(F)F)C	0
C1CCC(CC1)N(SC1=NC2=C(S1)C=CC=C2)C1CCCCC1	0
CNC1=C2CCCCC2=NN1C	0
CC1=CC=CC=C1/C=C\\C2=NCCN2	0
CN1C(=NN=N1)SCC2=C(N3[C@H]([C@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+]	0
C[C@H]/1[C@H]2O[C@@H]([C@H](C=C2)O)COC(=O)[C@@H](NC(=O)C/C=C\\[C@H]([C@H]3O[C@@H]([C@H](C=C3)O)COC(=O)[C@@H](NC(=O)C/C=C1)C)C)C	0
CC1=CN=C(C=N1)CNC2=NC=NC(=C2)C3=CC4=C(C=C3)OCO4	0
OC1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C(Cl)=C(Cl)C(Cl)=C3Cl)C1=C(O2)C(Br)=C(O)C(Br)=C1	0
CC1=C(C2=CC=CC=C2N1)C3=NC(=NC(=C3)C4=CC(=NC(=N4)N)C5=C(NC6=CC=CC=C65)C)N	0
CCCN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O	0
CC1=CC2=C(C=C1)N=C(N2)SCC3=NC4=C(C=NN4C5=CC=CC=C5)C(=O)N3	1
CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC=CS2)/C#N	1
CCCCN(N=O)C(=N)N[N+]([O-])=O	0
OCC1=C(Cl)C=C(Cl)C=C1	1
CO\C=C(\C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1	0
COC1=CC2=C(C=C1)NC=C2CCNC3=NC=NC(=C3)C4=CC=CC=C4OC	1
C(/C=C\\CC(=O)O)C(=O)O	0
C/C2=C/C(N[S](=O)(=O)C1=C/C=C(/N)C=C1)=NO2	1
SCC(=O)NC1=CC=CC=C1	0
CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=C(C=C3)Cl)CCC#N	0
C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)[O-].[Na+]	0
CCOC(=O)N1C=CN(C)C1=S	1
OC(=O)\C=C/C(O)=O.CN(C)CCCN1C2=C(SC3=C1C=C(C=C3)C(C)=O)C=CC=C2	0
[Mn++].[S-]C(=S)NCCNC([S-])=S	0
C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4([C@@]3([C@H](C[C@]2([C@]1(C(=O)CO)O)C)O)F)C	0
CC1=CC2=C(CCCCN2CC/C(=N/O[C@@H](C)C3=CN(N=N3)[C@@H]4COC[C@@H]4O)/C)N=C1C	0
[Na+].[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C([O-])=O)C3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O	0
OCCCCCCCCCCCCBr	0
COC1=C(O)C=CC=C1	0
COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O	0
CCOC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)C)[N+](=O)[O-]	1
CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C3NC4=CC=CC=C4C(=O)N3O	1
CCCCCC(=O)CC[C@@]2(C)[C@@]3([H])CC1=C/C=C(/O)C=C1[C@@]2(C)CCN3C	1
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C2=COC(=O)C=C2)[C@H](O)[C@H](O)[C@H]1O	0
C1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)N)O	0
CCNC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)C(F)(F)F	1
C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC3=CC=CC=C3	1
COC1=CC(=C(C=C1)CNC2=NC=NC(=C2)C3=CC=CC(=C3)C#N)OC	1
CN(CC(=O)NC1=C(SC=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)F	1
C[C@H]1CC(=O)NN=C1C2=CC=C(C=C2)NC(=NC)NC#N	0
CC(C(=O)NC1=CC=CC=C1)SC2=NC(=NC(=N2)N(C)C)NCC3=CC=CC=C3	1
COC1=CC(=C(C=C1)CNC2=NC=NC(=C2)C3=CC=CC=C3OC)OC	1
CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=C(C)C=C3OCOC3=C2)=C1Cl	1
OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O	0
OC(=O)CCCCCCCC(O)=O	0
OC(=O)CC1=CSC(=N1)C1=CC=C(Cl)C=C1	1
CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CC=C3	1
CC(C)COC(C)=O	1
CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1O	0
C1CC2(CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C41	1
CCNC1=CC(O)=CC=C1C	0
C1C(=NN2C(=NN=C2S1)CC3=CC=CC=C3F)C4=CC=C(C=C4)F	1
CCCOC(=O)C1=C(C=CC=C1)C(=O)OCCC	0
[Na+].COCCOC1=CC(=CC=C1)S(=O)(=O)[N-]C1=NC=CC=N1	1
CCOC(=O)CCl	0
[F]/C1=C/C=C(C=C1)C(=O)CCCN3CCN2CCC[C@@]2([H])C3	1
C1CN2CC3=CCO[C@@H]4CC(=O)N[C@@H]5[C@H]4[C@H]3C[C@H]2[C@]51/C(=C\\C(=O)O)/C(=O)O	0
CC1=CC2=CC(=C(N=C2C=C1)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)C#N	1
CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3	0
Cl.Cl.CCN1CCC2=C(CC1)N=C(N)O2	1
CC1CC(CC2CCC(N)C(C)C2)CCC1N	0
CN1C[C@@H]2C[C@H]1CN2C1=CC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O	1
CC1=C(O)C(=O)C=CO1	0
C1COCCN1C2=CS(=O)(=O)C3=CC=CC=C32	0
CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=O)OC\C=C(/C)CCC=C(C)C	0
C3CNCC2=CC1=CC=CC=C1N2C3	1
[Na+].CC1(CC(=O)C2=C(C=CC=C2)C1=O)S([O-])(=O)=O	0
CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=N/N3C=NN=C3)C	1
CC1=CC2=C(CCCCN2CC/C(=N/OC[C@H](COCC3=CC=CO3)O)/C)N=C1C	0
C1=CC=C(C(=C1)CN2C(=O)/C(=C\\C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O)C#N	1
CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCN4CCOCC4	1
CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1	0
C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O	0
O=C3CC[C@@]1(CCC(=O)C2=CC=CC=C12)C(=O)N3	1
OCC1CCC2C3CC(CC3CO)C12	1
C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=NC=CS3)C4=CC=NC=C4	1
[Cr+3].[O-]C(=O)C1=NC=CC=C1.[O-]C(=O)C1=NC=CC=C1.[O-]C(=O)C1=NC=CC=C1	0
CN[C@@]1([H])[C@@](O)([H])[C@@]([H])(OC[C@@]1(C)O)O[C@@]3([H])[C@@](N)([H])C[C@@](N)([H])[C@@]([H])(O[C@@]2([H])OC(=CC[C@@]2(N)[H])CN)[C@@]3(O)[H]	0
NC(=O)OCC(COC(N)=O)C1=CC=CC=C1	0
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@H]([C@@H](O3)COP(=O)(O)[O-])OP(=O)(O)[O-]	0
[Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1	0
CC1=C(SC(=S)N1C)NC(=O)OCCNC(=O)COC2=C(C=CC=C2Cl)Cl	1
CO/C3=C/C=C2[S]C1=CC=CC=C1N(C[C@@](C)([H])CN(C)C)C2=C3	1
COC(=O)C=C(C)N	1
CCCN1C(=NN=N1)C2=CC(=CC=C2)Cl	1
C1CCN(CC1)C2=C(C=C(C=C2)/C=N\\OC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]	1
CC(C)([H])N2C(=O)C1=C(N=CN1C3=CC=CC=C23)C4=NOC(=N4)C5([H])CC5	1
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@@H]([C@@H]([C@@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O	0
C(CP(=O)(O)O)[C@@H](C(=O)O)N	0
CS(=O)(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4	1
COC1=CC=CC=C1CN2CCC3(CC2)CCN(CC3)S(=O)(=O)C	0
C[C@H]1CS(=O)(=O)CCN1/N=C\\C2=CC=C(O2)[N+](=O)[O-]	0
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[K+].C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC([O-])=O	0
CC(O)=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O	0
COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CC4=CC=CS4)N5CCOCC5	0
C1=CC=C(C(=C1)C2=CC(=NC=N2)NCC3=CN=CC=C3)Cl	0
[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3	0
N[Pt](N)(Cl)Cl	0
CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C	1
CN(C)C1=CC=C(\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C=C1	0
CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O	1
C1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1	1
C[C@@]([H])(NC(C)(C)C)C(=O)C1=CC=CC([Cl])=C1	1
CCC(C)C(=O)OC	1
CCOC(=O)C1=CC=CC=C1OCC2=C(C=CC(=C2)/C=N/N3C=NN=C3)OC	1
CC(C)C(=O)NC1=CC2=C(C=C1C(=O)C3=CC=CC=C3)OCCO2	0
NCC1(CC(O)=O)CCCCC1	1
CC(C)(O)C#N	0
C[C@@](N)([H])C(=O)OC(C)(C)C/C1=C/C=C(/[Cl])C=C1	1
CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2	0
CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4N3CCOC)C(=O)OC.CN(C)C=O	1
Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O	1
COC1=CC=C(C=C1)OC2=NC=C3C(=N2)N(C(=O)C=N3)C[C@H]4CCCO4	0
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=CC=C3)N)C(=O)O)C.O.O.O	0
[K+].CC(=O)CC(=O)NC1=CC=C(C=C1)S([O-])(=O)=O	1
O=C1NCN(C2=CC=CC=C2)C11CCN(CC2COC3=C(O2)C=CC=C3)CC1	0
CCCCN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O	0
COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCOCC3)C(F)(F)F)OC	1
C[C@@]1([H])[C@@](O)([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]3(C)[C@@]2([H])[C@@](O)([H])C[C@@]4([H])C(=C(CC/C=C(/C)C)C(O)=O)[C@@]([H])(C[C@@]34C)OC(C)=O	0
CCCCOC(=O)C=C	0
CC1=NC=CN1	0
CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1	0
CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC3=C(C=C2)OCCO3)N	1
CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O	0
COC1=C2C=COC2=CC2=C1C=CC(=O)O2	0
C1CN(CCN1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4	0
CCCN1N=C(N=N1)NC(=O)CC2=CC=CC=C2	1
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)N/N=C/C4=CC=C(O4)[N+](=O)[O-]	1
C1=CC(=C(N=C1)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]	1
CC1=CC=C(C=C1)NC(=O)C2=C(SN=C2SC)SC	1
C1=CC=C(C=C1)CSC2=NSC3=NC(=O)/C(=C\\C4=CC=CS4)/C(=N)N32	1
CC1=CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1	1
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCC2=CCCCC2	1
C[C@@]1([H])O[C@@]1([H])[P](O)(O)=O	1
NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O	0
C[C@H]1C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H]2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H](C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C	0
C1=CC(=CC=C1S(=O)(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)Cl	1
CC(C)OC(=O)C1=CC(=CC(=C1)C(=O)OC(C)C)[N+]([O-])=O	0
OC1=CC(=O)NC=C1Cl	0
S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1	0
CCC(=O)O[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O	0
CI.OC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5CC=C	0
CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)COC2=CC=CC=C2	0
C1CN(C(N(C1)[C@@H](C#N)C2=CC=CC=C2)C3=CC=CC=C3O)[C@H](C#N)C4=CC=CC=C4	1
[Na+].CCN(CC)C([S-])=S	0
CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1	0
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O	0
C[C@]12CC[C@@H](C1(C)C)C[C@@H]2OC(=O)CSC#N	0
Cl.Cl.OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	0
C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]	0
CO/C4=C/C=3C[C@@]([H])(C[C@@]1([H])CCN(CC1)C/C2=C/C=CC=C2)C(=O)C=3/C=C4/OC	1
CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC	0
CC1(O[C@@H]2[C@H]([C@@H](O[C@H]2O1)[C@@H](CO)O)OCCCN(C)C)C	0
CCOC(=O)[C@H](C)O	0
C=CCNC1=C(N=C(O1)/C=C/C2=CC=CC=C2)C#N	1
CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC=C(C=C3)Cl	1
CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC=CC=C2)C(=O)CCC(=O)O)C	0
CCC[C@@H]1C[C@@]1(CCC)C(C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3	1
O/C2=C/C=C1C[C@@]4([H])N(CC[C@@]35C1=C2O[C@@]3([H])C(=C)CC[C@@]45O)C[C@@]6([H])CC6	1
CC(=O)OC[C@H]1[C@H](C=C[C@H](O1)C/C=N\\OC)OC(=O)C	0
OC(=O)CCCCCCCCC=C	0
C1C[C@H](OC1)N2C=NC3=C(N=CN=C32)N	0
COC(=O)CN1C2=CC=CC=C2N(C1=N)CCN3CCCCC3.Br	0
C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-]	1
CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N	1
[Cl-].CCCC[N+]1(C)CCCC1	0
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N	0
[C@H]1(C(=O)NC(=O)N1)NC(=O)N	0
C1=CC=C2C(=C1)C=CC=C2CC(=O)N/N=C/C3=CC=C(O3)SC4=NC5=CC=CC=C5S4	1
[Na+].CCCC(C)C1(CC)C(=O)NC([S-])=NC1=O	0
COCCCC/C(=N/OCCN)/C1=CC=C(C=C1)C(F)(F)F	1
C[C@H]([C@H]1C[C@]1(C)[C@@H](C2=CC=CC=C2)NC(=O)OC3=CC=C(C=C3)F)C(=O)NC4=CC5=CC=CC=C5C=C4	0
C1=CC=C(C(=C1)C2=CN=CN=C2NC3=CC=C(C=C3)F)C(F)(F)F	1
C1=CC=C(C=C1)CCN=C(N)N=C(N)N	0
C1CCC(=O)NC2=CC=CC=C2C(=O)C1	0
CCOC(=O)CCN1C(=O)[C@H]2CC[C@H]\\3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](C/C3=N/OC[C@H](COCC4=CC=CO4)O)O)O	0
C1CC(OC1)CNC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3	1
C1=CC=C2C(=C1)N=C(O2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl	1
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CC=C2C	0
COC(=O)[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4	0
Cl.CCC1(CCCCN(C)C1)C1=CC=CC(O)=C1	1
CN1C=CNC1=S	1
C[C@H]1CC[C@@H](N[C@@H]1C2=CC=C(C=C2)C=C)C(=O)O	0
C[C@@]([H])(CO/C1=C/C=CC=C1)NN	1
CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3	0
NC(=O)CCCCC1CCSS1	0
CN(C)C1=CC=CC=C1	0
C1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CN(C1)C4=NC=CC=N4	1
C1=CC=C(C=C1)CN2C3=NC=NC=C3N=C(C2=O)C4=CC=CC=C4	1
C1=CC=C(C=C1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)C(=O)O	1
OC(=O)C1=C(C[S][C@@]2([H])N1C(=O)[C@@]2([H])NC(=O)CN3C=NN=N3)C[S]/C4=N/N=C[S]4	0
OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1	0
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(O)=O)C1=CC=CC=C1)C(O)=O	1
C1CC2(CCN(CC2)C(=O)C3=NC=CN=C3)CN(C1)C4=CC=NC=C4	0
OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl	0
CCC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)CC	0
[Sr++].[O-]C([O-])=O	0
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC	1
COC1=CC(=C2C(=C1)C=CC=N2)NCCC(=O)O	0
CCCCCCOC1=CC(C)=C(O)C(C)=C1C	0
C1CC1N2C(C(CCC2=O)C(=O)O)C3=CC=CC=C3	0
CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F	0
CC1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O	0
Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12	0
C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)C4=C(C=C(C=C4)Cl)Cl	0
CN(C)C(=O)C1=CC2=C(N1CC3=CC(=C(C(=C3)F)F)F)C[C@@H]4[C@H]2[C@](N(C4)C(=O)C5=CC=CC=C5)(CC6=CC=CC=C6)C(=O)OC	1
C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3Cl)NCC4=CC=CS4	1
NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2	0
C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=O)C=CC4=O	1
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I	0
CCCC=C	0
OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br	0
CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O	0
CC1=CC=C(C=C1)C(=O)NN2CCOCC2	0
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	0
COC1=CC=CC(=C1)CN2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)NC5=CC=CC=C5	0
CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=CC=C2C(F)(F)F	1
CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C	0
CN1CC(=O)NC1=N	0
[NH4+].O.O.O.CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)C(O)=O	1
C[C@H]1/C=C\\CC(=O)OC[C@H]([C@H](/C=C\\CC(=O)OC[C@@H]1NS(=O)(=O)C2=CC=C(C=C2)C)C)OC	0
C(OC1=CC=CC=C1)C1CO1	0
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3C)C4=CC=C(C=C4)Cl)C	1
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC	0
C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl	1
COC1=CC=C(C=C1)C(=O)C1=C(C)N(CCN2CCOCC2)C2=C1C=CC=C2	0
CC(=O)N/C1=C/C=CC(O)=C1	1
CC1=CC=CC=C1OCCNC(=S)NC2=CC=CC=C2	1
CCOC(=O)C(=O)OCC	0
C1CN(CCN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5	1
CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3	0
C1COC2=C(O1)C=CC(=C2)NC(=O)CCNC(=O)CN3C=NC4=CC=CC=C4C3=O	0
CC(C)(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCCO4	1
ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1Cl	0
CSC1(SC2(S1)NCCN2)SC3=NCCN3	1
CN(CC1=CC=CO1)C2=NC=NC=C2C3=CC=CC=C3Cl	1
CO/C1=C/C=C(/C#N)C=C1C(=O)NCCN2CCC([H])(CC2)C(=O)C3=C/C=C(/[F])C=C3	1
C1CC[C@@H]([C@@H](C1)[NH-])[NH-].C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.[Pt]	0
CCC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=C(C=C4)O)OC	0
CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl	1
COC(=O)C1=CC=C(C=O)C=C1	0
CCN(CC)CCOC(=O)[C@H](C[C@@H]1CCCO1)CC2=CC=CC3=CC=CC=C32	0
CO/C2=C/C=C1C[C@@]4([H])N(C)CC[C@@]35C1=C2O[C@@]3([H])C(=O)CC[C@@]45O	1
CC(C)[C@H]1CC[C@H](C)C[C@@H]1O	1
FAIL	0
NC1=NC=NC2=C1N=CN2CCOCP(O)(O)=O	1
C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2	0
COC1=CC=CC=C1OCC(=O)NNC(=O)C2=NC=CN=C2	0
CC(N(C/C1=C/N=C(/C)N=C1N)C=O)=C2CCOC(=O)[S]2	1
CC[N+](CC)(CC)COC1=CC=C(C=C1)/C=C\\C2=CC=CC=C2	0
CC1=CC(=C(C(=C1)C)NC(=O)C2CCCN2C)C	0
NC(=S)NNC(N)=S	0
[K+].C\C=C\C=C\C([O-])=O	0
CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1	0
C1OC2=C(O1)C=C(C=C2)/C=C\\C(=O)C3=CC=C(C=C3)F	1
CCCCC(CC)CO[N+]([O-])=O	0
CC(C)NC[C@@H](C1=CC(=C(C=C1)O)O)O	0
CN(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN=C3NC4CC4	0
CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	0
COC1=CC=C(C=CC)C=C1	1
CCCCCCOC1=C(C=CC=C1)C(O)=O	0
CN(C)C1=NC=C2C(=N1)N(C(=O)C=N2)CCOC	0
CCOC(=O)C1=CC(O)=C(O)C=C1	1
COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1	0
C[C@H](CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C[C@H](CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.[C@@H]([C@@H](C(=O)O)O)(C(=O)O)O	0
CCC(=O)NC1=CC2=C(C=C1C(=O)C3=CC=CC=C3)OCCO2	1
C1C[C@@]2(CCN(C2)CC3=CC=C(C=C3)C#N)CN(C1)C(=O)C4=CC=CO4	0
CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O	1
CC(C)(C)N1C(=O)[C@H]2CC[C@H]\\3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](C/C3=N/OCCCC#C)O)O	0
CC[C@@]24CCN(C[C@@]1([H])CCC1)[C@@]([H])(CC3=C/C=C(/O)C=C23)C4(C)C	1
C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3NC(=O)/C=C\\C(=O)O	0
CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C	1
OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1	0
[Br-].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1	0
CC1=NC2=C(C(=N1)SCC(=O)C3=CC=C(S3)Cl)OC4=CC=CC=C42	1
C1=CC=C(C(=C1)CN2C3=NC=NC=C3N=C(C2=O)C4=CC(=CC=C4)F)Cl	1
COC1=CC2=C(C=C1)O[C@H]([C@@H](C2=O)O)C3=CC(=CC=C3)OC	1
COC1=C2CCN(C2=C(C=C1)[N+](=O)[O-])C(=O)CC[C@@H](C(=O)O)N	0
CC1=CC=CC=C1CCl	0
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ClC1=NC(Cl)=NC=C1	1
C[C@H](CO/N=C(\\C)/CCN1CCC2=NC(=C(C=C2C1)C3=CC=CC=C3)C4=CC=CC=C4)[C@@H](C(C)C)OCC5=CC=CC=C5	1
C1=CC=C(C=C1)C2=NC(=NC=C2S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4	1
[Na+].CN(C)C([S-])=S	0
CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N	0
CC1=CC(=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C	1
CCN1C(=O)C=C(N=C1SCC(=O)N2CCCCC2)O	0
C1CN=C(N1)SCC(=O)C2=CC=CC=C2	0
CC(=O)N1CCC2(CCCN(C2)C3=NC=CC=N3)CC1	0
CCOC(=O)C1=C(N=C2CC(CC(=O)C2=C1C3=CC=C(C=C3)OC)(C)C)C	1
CC(C)CC1NC(=S)N(CC=C)C1=O	1
CC1=NC2=CC=C(Cl)C=C2N1	0
[H][C@@]1(CCCCN1)[C@@]2([H])COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4	1
CCCCCC=CCC(=O)OC	0
CC(C)(C)N	0
COC1=CC=C(C=C1)C2=NN=C(O2)C3=CN=CC=C3	1
OC(=O)COC1=C(\C=N\NC(=O)C2=CC=NC=C2)C=CC=C1	1
CO/C3=C/C(NC/C2=C/C=C1/N=C(/N)N=C(N)C1=C2C)=CC(OC)=C3OC	1
C(CON=C(N)N)[C@@H](C(=O)O)N.O.OS(=O)(=O)O	0
NC1=CC(=C(O)C(=C1)C(O)=O)S(O)(=O)=O	1
C1C(OC2=CC=CC=C2O1)C(=O)NC3=NN=C(S3)SCC4=C(C=C(C=C4)Cl)Cl	1
CCCCCC1=CC2=C(C(O)=C1)C1=C(C=CC(C)=C1)C(C)(C)O2	0
CC1=C(C(=CC=C1)C(=O)O)C[C@@H]2[C@H]3[C@@H](CCN2)C4=CC=CC=C4N3	0
COC1=CC2=C(C=C1)NC=C2CCNC3=NC=NC=C3C4=COC=C4	1
CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4=CC=CO4	1
Cl.CN[C@@H]1C[C@H](C2=CC=CC=C12)C1=CC=C(Cl)C(Cl)=C1	0
CC(=O)OCCOC(C)=O	0
CC1=COC2=C(C=CC=C2)C1=O	1
NC1=NC(=O)N(C=C1)[C@H]1CS[C@@H](CO)O1	1
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2	0
CCSC(=O)N1CCCCCC1	0
CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N	0
C1CN(CCC12CCN(CC2)C(=O)C3=CSN=N3)CC4=CC=CC=C4	0
CCN1C(=O)C2=C(N=C1SCC(=O)OC)SC3=C2CCC3	1
CCC1(CC(CCO1)(CCNS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C	1
CCOC(=O)N/N=C/C1=CC=C(C=C1)F	0
CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=NN2C3=CC=CC=C3	1
CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC	0
CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=C(C=C3)F)C[C@H]4CCCO4	0
CCCN1C(=NC2=NC3=CC=CC=C3N=C21)C4=CC=CS4	1
CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)F)C(F)(F)F	1
CC1=C(C=CC=C1Cl)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CS5	1
CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C	0
C1=CC=C2C(=C1)C(=CS2)C(=O)C3=C([N+](=O)ON3)C(=O)C4=CSC5=CC=CC=C54	1
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2	0
CN(C)C(=O)C1=CC2=C(N1CCC3=CC(=C(C=C3)O)O)C[C@@H]4[C@H]2[C@](N(C4)C(=O)C5=CC=CC=C5)(CC6=CC=C(C=C6)F)C(=O)OC	1
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]	1
C[C@@H]1C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@@](O4)(OC=C[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN5CCN(CC5)C)/C	0
CC1=CC2=C(OC(CN(CC3=CC=CC=C3)C(=O)NC3=C(F)C=C(F)C=C3F)=C2C2=CC=C(Cl)C=C2)C=C1	0
C[C@@]12CCC3=NCCN3C1=CC[C@H]4[C@@H]2CC[C@]5([C@H]4CC[C@]5(C)O)C	0
CC=1C[S][C@@]2([H])N(C=1C(O)=O)C(=O)[C@@]2([H])NC(=O)C/C3=C/C=C(C=C3)C4=NCCCN4	0
CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=C(C=C(C=C3)OC)F	1
CCCCNC1=CC=CC=C1	0
OCC(O)COC(=O)C1=C(NC2=CC=NC3=C2C=CC=C3C(F)(F)F)C=CC=C1	0
C1=CC(=CC(=C1)O)C2C(=C(SC(=C2C#N)N)N)C#N	1
ClC(=O)C1=C(Cl)C=CC=C1Cl	1
CC1=CC(=CC=C1)CSC2=CC=CC3=C2N=CC=C3	1
C[C@H](CCC(=O)OC)[C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@H]2CC[C@@H]4[C@]3(CC[C@@H](C4)O)C)C	0
C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3	1
C1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)O	0
CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(O)=O	1
OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl	1
C1CCCN(CC1)C2=C(C=CC=N2)C(=O)NC3CCCC3	1
O[Al](O)[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O	1
[Cl]/C1=C/C=C(C=C1)C(=O)NCCN2CCOCC2	1
C1CNCC2=C1C(=O)NO2	0
C1CC2(CCN(CC2)C(=O)C3=CC=CO3)CN(C1)CC4=CC=NC=C4	1
CC1=NC=CC2=C1NC3=CC=CC=C23	0
[Na+].COC1=C2C=C(C3=C(C=C4OCOC4=C3C2=CC=C1)C([O-])=O)[N+]([O-])=O	0
CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1	0
C1C[C@@]2(CCN(C2)C(=O)NC3=CC=CC(=C3)C#N)CN(C1)C(=O)C4=CC=NC=C4	0
COC1=CC(=CC(=C1O)O)[C@@H]2C3=CC(=C(C=C3[C@H]([C@@H]([C@@]2(C(=O)O)O)CO)O)OC)O	0
CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4	0
C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC=C4)CCC#N	0
C(CC(=O)O)[C@H](C(=O)O)N	0
C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1	1
C1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CN(C1)C4=CC=CC=C4	1
CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)CCC4=CC=CC=C4)CC5=CC=C(C=C5)F	0
COC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\\3/C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]	1
C1CN(CCN1CCO)C(=S)C2=CC=C(C=C2)Br	1
COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CO3)COC4=CC=C(C=C4)C(=O)OC)OC	1
C1=CC=C(C=C1)OC(=O)/C(=C\\2/C3=CC=CC=C3C4=CC=CC=C4N2)/C#N	1
C1=CC=C2C(=C1)C=CC=C2/C(=C/C3=CC=C(C=C3)O)/C(=O)O	0
CCOCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=CC=C5	0
CCCCCCCCC=CCCCCCCCC1=NCCN1CCO	0
COC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)OC	0
C1CN(CC1C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Br	1
CCCC1=NC=C(S1)C(O)=O	1
O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1	0
C1CC2(CCN(CC2)C(=O)C3=NC=CN=C3)CN(C1)C4=CC=C(C=C4)C5=CC=CC=C5	0
CCO/C2=C/C=C1C=CC=C/C1=C2/C(=O)N[C@@]3([H])C(=O)N4[C@@]3([H])[S]C(C)(C)[C@@]4([H])C(O)=O	0
CC[C@@]3([H])OC(=O)[C@@](C)([H])[C@@]([H])(O[C@@]1([H])C[C@@](C)(OC)[C@@](O)([H])[C@@](C)([H])O1)[C@@](C)([H])[C@@]([H])(O[C@@]2([H])O[C@@](C)([H])C[C@@]([H])(N(C)C)[C@@]2(O)[H])[C@@](C)(O)C[C@@](C)([H])CN(C)[C@@](C)([H])[C@@](O)([H])[C@@]3(C)O	0
SCCSCCS	1
CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NC3CCCC4=CC=CC=C34)N	1
C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)F)C(F)(F)F	1
OC(=O)CC1=C2C=CC=CC2=CC=C1	0
COC1=CC=C(C=C1)C[C@@]2([C@@H]3[C@@H](CC4=C3C=C(N4CCC5=CNC6=C5C=CC(=C6)F)C(=O)N7CCCC7)CN2C(=O)C8=CC=CC=C8)C(=O)OC	1
C[C@@H](CNC1CCCCC1)OC(=O)C2=CC=CC=C2	0
CC1=CC=C(C=C1)/C(=N/OC(=O)CC2=CC=CS2)/N	1
CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1	0
CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]	0
C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O	1
C1=CC=C(C=C1)[C@H](CC(=O)O)SC2=CC=CC=C2	0
C1CCC(CC1)N2C(=O)[C@H]3CC[C@H]\\4[C@@H]([C@@H]3C2=O)[C@@H]([C@@H](C/C4=N/NC(=O)OCC5=CC=CC=C5)O)O	0
C1CC2(CCN(CC2)C(=O)C3=CC=NC=C3)CN(C1)C(=O)NC4=CC(=CC=C4)F	1
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O	0
COC1=CC=CC(=C1)C2=CC(=NC=N2)NCC3=CN=CC=C3	1
CC(C)(CC1=CC=CC=C1)NC	0
CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl	1
CC(CCC(=O)O)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br	0
NNC(=O)C[P](=O)(C1=CC=CC=C1)C2=CC=CC=C2	1
OCC1=CC=CC=C1O	1
CC(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4O3	1
OCC(O)CN1CCN(CC1)C1=CC=CC=C1	1
CC1=CC(=CC(=C1OCCCCN(C)C)C)Br.C(=O)(C(=O)O)O	0
COC(C)(C)C	0
COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O	0
COC1=CC2=C(C=C1)NC=C2CCNC3=NC=NC(=C3)C4=COC=C4	1
CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O	1
C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CO5)N	1
CCCCCCCCCCCCC1=CC=CC=C1	0
CC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1[N+]([O-])=O	0
CC1=CC2=C(CCCN2CC/C(=N/OC[C@H]([C@H]3[C@@H]([C@@H]4[C@H](O3)OC(O4)(C)C)O)O)/C)N=C1C	0
CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC3=CC(=O)N4C=CSC4=N3)C5=CN=CC=C5	1
CCCCN1C(=C(C(=O)NC1=O)C=NCCN2CCCCC2)O	0
Cl[Ni]Cl	0
COC1=CC=C(C=C1)NC(=O)N2CC3(C2)CCN(CC3)C(=O)C4=CSN=N4	0
COC(=O)NC1=CN(C(=O)C=C1)CC2=C(C=CC=C2Cl)Cl	1
CC1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3NC4CC4	1
CO/C4=C/C=C3[S]C1=CC=CC=C1N(C[C@@](C)([H])CN2CC[C@@](O)([H])CC2)C3=C4	1
COC1=CC=CC(=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)F)C(F)(F)F	1
CC1=C(C(=NO1)C)C2=CN=CN=C2NCC3=C(C=C(C=C3)OC)OC	1
COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)N3CC4=CC=CC=C4C3=O	1
Cl.Cl.NC1=CC=C(O)C(N)=C1	0
C1COCCN1CCNC(=O)C2=NN3C(CC(NC3=C2Cl)C4=CC=CC=C4)C(F)(F)F	0
C[C@@]12CC[C@H]3[C@H]([C@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O	0
CCNC1=NC(OC)=NC(NC(C)CC)=N1	0
FAIL	0
CC(C)CCNC1=NCCCCC1	0
COC1=CC=C(C=C1)NC(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42	1
[Hg](C1=CC=CC=C1)C1=CC=CC=C1	0
C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC3=CC=CC=C3	1
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]	1
CC1=CC=CC=C1C2=CC(=NC=N2)NCC3=NC=C(N=C3)C	0
CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl	0
CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C	1
OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl	0
COC1=CC=C(C=C1)C[C@H](C2=CC=C(C=C2)OC)N	1
CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C(C=CC(OC(=O)CC)=C4)[C@H]3CC[C@]2(C)[C@H]1OC(=O)CC	0
FC(F)(F)C(Cl)Br	0
CC(C)NCC(O)C1=CC=C(O)C(O)=C1	0
Br.C[C@H]1[C@H]2CC3=C(C=C(O)C=C3)[C@]1(C)CCN2CCC1=CC=CC=C1	0
CC1=CN=C(C=N1)CNC2=NC=NC=C2C3=CN=CC=C3	0
C1=CC=C(C(=C1)C2C3C(=NC4=CC=CC=C4S2)C5=CC=CC=C5C3=O)F	1
CC1=CC=C(C)C(O)=C1C	0
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O	0
CCCCCCCCCI	0
Cl.COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C	0
CC(=C)C1CCC(C)=CC1	0
CC1=C(C=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O)C	1
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)/C=C/C4=CC=CO4	0
O=CC1CCC=CC1	0
C1COCCN1CCNC2=NC=NC3=C2C=C(C=C3)C4=CN=CC=C4	0
COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)CNC(=O)C4=CC=CO4	0
CCCCCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C	0
[Cl-].[Cl-].[Hg++]	0
CN(C)C1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CS3)C4CC4	0
CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CN=CC=C3	1
Cl.NCC(=O)CCC(O)=O	0
CC1=CC2=C(C=C1C)N=C(N)S2	0
CN1[C@@]([H])(CCC[C@@]1([H])CC(=O)C2=CC=CC=C2)C[C@@](O)([H])C3=CC=CC=C3	1
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]	1
CC(=O)N[C@@H](CC(=O)O)C(=O)O	0
CCCCCCC(CO)CCCC	0
C1CN[C@H](C[C@H]1CP(=O)(O)O)C(=O)O	1
Cl.COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1	1
CC(=O)NCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3OC	0
C1=CC=C(C=C1)CNC2=NC(=NC=C2)C3=COC=C3	1
OCCN4CCCN(CCCN2C1=CC=CC=C1C=CC3=CC=CC=C23)CC4	1
Cl.CCCCCCOC1=CC=C(C(=N)N(CCCC)CCCC)C2=C1C=CC=C2	0
CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1	0
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[Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C	0
O=C3N(CCCN1CCN(CC1)C2=NC=CC=N2)[S](=O)(=O)C4=CC=CC=C34	1
CCC(CC)C=O	1
CCOC(=O)C1=C(O)C2=C(C=C(OCC(C)C)C(OCC(C)C)=C2)N=C1	1
COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1	1
[Na+].C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12	0
CC1=CC(=CC=C1)CNC2=NC=NC=C2C3=CN=CC=C3	1
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1C2=CC=CC=C2CCC2=C1C=CC=C2	0
CC1=CC=C(C=C1)C(=O)N2C=NN=C2N	0
CCSC1=NC(=NC(=C1)N2CCCC2)C3=CC=C(C=C3)F	0
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O	0
C1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@@H](O3)C(=O)OCCO)O)O)N	0
CCCCCCCC=O	0
CC(C)C1=CC=CC=C1	0
CC1=CC=C(C=C1)S(=O)(=O)CC(CN2CCCC2=O)O	1
CCCC1=CC2=C(N1CCC3=CC=C(C=C3)Cl)C(C4C2C(N(C4)C(=O)C5=CC=CC=C5)(C)C(=O)OC)C	1
C1=CC(=CC=C1[C@](CN)(CS(=O)(=O)O)O)Cl	0
OCC#C	1
CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCC4=CC=CO4)F	0
CC(=O)NC1=CC=C(C=C1)C2=CN3C=CC=NC3=N2	0
C[C@@H]([C@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O	0
CN(CC1=CC=CO1)C2=NC=NC=C2C3=CC=CC(=C3)C#N	1
CC1=C(C=CC(=C1)Cl)OC2=NC=NC3=C2C=C(O3)C4=CC=CC=C4	1
CCC1(C(=O)NCNC1=O)C2=CC=CC=C2	0
CS[C@@H](CC(=O)O)C(=O)O	0
CCNC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C)C3=CC=CC=C3	1
COC1=CC(=C(C=C1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCO5)OC	1
Cl.CCOC(=O)C1(CCCN(C)CC1)C1=CC=CC=C1	1
N/C3=N/C(=O)C2=NC(CN/C1=C/C=C(C=C1)C(=O)N[C@@]([H])(CCC(O)=O)C(O)=O)=CN=C2N3	1
Cl.CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1	1
CNC(=S)N1CCN(CC1)C2=CC(=CC=C2)OC	1
CC1=NN=C(NC1=O)N/N=C(\\C)/C(=O)O	0
COCCN1C2=NC(=NC=C2N=C(C1=O)CCC3=CC=CC=C3)OC	1
CCCN1CCC[C@@H](C1)C2=CC(=CC=C2)O	0
COC(=O)C1=CC=C(C=C1)CCC2=C(C=CC(=C2)O)O	1
CC1=CC(=C2C(=C1)C(=C3CC/C(=C/C4=CC=C(C=C4)Cl)/C3=N2)[C@@H]([C@@H]5CCCCN5)O)C	0
COC(=O)CC1C(=O)NCCN1C(=O)NC2=CC=C(C=C2)Cl	0
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)[C@@H](C2=CC=C(C=C2)OC)NC3=CC=CC=N3	1
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CS3	1
COC1=CC=C(\C=C\C2=CC(OC)=CC(=O)O2)C=C1	0
CC1=CC=CC=C1C2=CC(=NC=N2)N3C=CN=C3	1
CC(=C)C#N	0
CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C=O)OC)[N+](=O)[O-]	1
C[C@H](CN1C=CC2=CC(=C(C=C21)Cl)F)N	0
C/C=C\\C1=C(C(=O)[C@H]2[C@@H](C1=O)O2)CO	0
N#C/C1=C/C(=N/N=C1/NCCN2CCOCC2)C3=CC=CC=C3	1
CP(=O)(C1=CC[NH2+]CC1)[O-]	0
FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N	0
C[C@@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@@]4([C@@H]3CC[C@@]4(C(=O)CO)O)C	0
COC1=CC2=C(C=C1)NC=C2CCNC3=NC=NC(=C3)C4=CC=CC=C4C(F)(F)F	1
COC1=CC=CC=C1CNC2=NC=NC3=C2C=C(C=C3)C4=CC(=CC=C4)NS(=O)(=O)C	1
[Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC	0
CC(C)=CCCC(C)=CCCC(C)(O)C=C	0
COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC5=C(C=C4)OCO5	1
CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1	0
Cl.C1CN=C(N1)C1CCCC2=C1C=CC=C2	1
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O	0
CC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O	1
C1=CC(=C(C(=C1)Cl)/C=N\\N=C(N)N)Cl	0
Cl.CN(C)CCOC(=O)COC1=CC=C(Cl)C=C1	1
C1=CC2=C(C=C1)C1=C(C=C2)C2=C(C=CC=C2)C=C1	0
CCCCCCCCCC(=O)O[C@@]2(CCN(CCCC(=O)C1=C/C=C(/[F])C=C1)CC2)C3=C/C=C(/[Cl])C=C3	1
CCCCCCCC\C=C/CCCCCCCC(O)=O	0
CN1CC[C@]2(C1)CCCN(C2)C(=O)C3=CC=CN3C	0
C1C[C@@H]2[C@@H]([C@H]([C@H]1O2)C(=O)NCC3=CN=CC=C3)C(=O)O	0
CN(C)CN1C2=CC=CC=C2/C(=C\\3/C(=O)N(C(=O)S3)CN(C)C)/C1=O	0
C1CN=C(N1)CC2=CC3=CC=CC=C3C=C2	0
CN(C)CCCN2C1=CC=CC=C1[S]C3=CC=CN=C23	1
CCN(CC)CCOC1=C(C=CC=C1)C(=O)CCC1=CC=CC=C1	0
CN(C)C1=CC=C(C=C1)N=NC1=CC=CC=C1	0
C1=CC(=C(C=C1/C=C(/C(=O)NCCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N)\\C#N)O)O	0
C[C@@]12C3=CC=CC=C3C[C@H](N1)C4=CC=CC=C24	0
CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	0
CCCCCCCCCCCCCCCO	0
CCN(C(=O)N(CC)C1=CC=CC=C1)C1=CC=CC=C1	0
C1CC(CN(C1)C2=C(C3=C4CC(=O)N(C4=NC(=C3C(=N2)N)N)C56CC7CC(C5)CC(C7)C6)C#N)O	1
CCN(CC)CCOC1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)OCCN(CC)CC.Cl	0
CCCC1=CC=C(C=C1)C(O)=O	1
CSC1=CC=C(C=C1)CNC2=CC=CC=C2	1
CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC	0
CC1=NC2=CN=C(N=C2N(C1=O)CCC#N)N3CCN(CC3)C	0
CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1	0
CC1=CC(=CC=C1)N2C(=CC(NC2=S)(C)C)C	1
CCC(C)CCCC(C)(C)O	0
CCCCNC(N)=O	0
CC[C@@]1(NCC(=O)NC1=O)C2=CC=CC=C2	1
CN(C)C1=NC=NC2=C1N=CN2CCN3C=NC4=C3N=CN=C4N(C)C	0
CC1=C(C=CC(=C1)N2CCOCC2)/C=C\\3/C(=O)N(C(=O)S3)C(C)C	1
ClC(=O)OC1=CC=CC=C1	0
C1CCC(CC1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3)C5=CC=CC=C5	1
C1=CC=NC(=C1)NC(=O)/C=C\\C(=O)O	0
O=C1C2=C(CC3=C1C=CC=C3)C=CC=C2	0
[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C	0
C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3	0
CCCCN1C2=C(N=C1SCC(=O)N3CCCC3)N(C(=O)N(C2=O)C)C	0
C1CCC2(C1)CC3=CC=CC=C3C4=C2C5=NC(=NN5C=N4)C6=CC(=CC=C6)O	1
CN(C)C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)F	1
CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4	0
CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1	0
C1CNC[C@H](C2=CC(=C(C=C21)O)O)C3=CC=CC=C3	0
CCOC(=O)CCCC1=CNC2=CC=CC=C21	1
CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC	0
CCCCCCCCCCCC	0
COC1=CC\\2=C(C=C1)O[C@H]([C@H](/C2=N\\OC[C@H](COCC3=CC=CO3)O)O)C4=CC(=CC=C4)OC	1
CC1CC(CN(C1)C(=O)CSC2=NN=C(N2C)CSC3=NC=CC=N3)C	1
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+]	0
CCOC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C=NC3=CC=C(C=C3)O	0
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O	1
C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCO	0
FAIL	1
COC1=CC=CC=C1CN2CCC3(CC2)CCN(CC3)S(=O)(=O)C4=CC=CC=C4	0
CC1=C(C(=NO1)C)C2=NC=CC(=N2)N(C)CC3=CC=CO3	1
CC1=CC(=NC(=N1)NC(=O)C)SC	1
CCOC(=O)CC1=CSC(=N1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O	1
CO[C@@]1(NC(=O)C[S]C[C@@](N)([H])C(O)=O)C(=O)N2C(=C(C[S][C@@]12[H])C[S]/C3=N/N=NN3C)C(O)=O	0
ON=C1C=CC(C=C1)=NO	0
C1C[C@H]2[C@H]([C@@H]3[C@@H]1/C(=N\\OC[C@H](COCC4=CC=CO4)O)/C[C@H]([C@H]3O)O)C(=O)N(C2=O)C5=CC(=CC=C5)OC6=CC=CC=C6	0
CN(C)C1=NC(=NC(=N1)SC)OC2=NNC(=O)C=C2	0
CN1CCC3=C(C1)C2=CC=CC=C2CC4=CC=CC=C34	1
C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N	0
CC(C)[C@H](C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(OC(F)F)C=C1	0
C(CCN)CC(=O)O	0
CCCCCCCCCCCCCCCC(=O)NC(C)C	0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O	0
Cl.OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=C(C=C(F)C(=C2)N2CCNCC2)C1=O	1
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)OC1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1	0
CCC(C)(C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)CC3=CC=CS3	1
COP(=O)(OC)OC=C(Cl)Cl	0
C1CN(CCC12CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4	0
OS(O)(=O)=O.NC(=N)NCC1COC2(CCCCC2)O1.NC(=N)NCC1COC2(CCCCC2)O1	1
C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@H]([C@H]([C@@H](O4)CO)O)O)N	0
CCOC1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C	1
CC(C)NC[C@H](COC1=CC=C(C=C1)CCOC)O.CC(C)NC[C@H](COC1=CC=C(C=C1)CCOC)O.[C@@H]([C@@H](C(=O)O)O)(C(=O)O)O	0
C1=CC=C2C(=C1)NC(=NS2(=O)=O)CCCC(=O)N	0
CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CC5=CC=CS5)OC6=CC=CC=C6	0
CC(C)(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br	1
CC1=CC(=CC=C1)N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3	1
CO/C2=C/C=C1C[C@@]4([H])N(C)CC[C@@]35C1=C2O[C@@]3([H])C(=O)CC[C@@]45[H]	1
Cl.NNC(N)=N	0
CO/C1=C/C=C(C=C1)N5C[C@@]([H])(CN2CC[C@@](O)(CC2)C4=CC=C3OCOC3=C4)OC5=O	1
CC1=CC(=O)OC2=CC(OCC#C)=CC=C12	0
C/C1=C/C=C/C=C1/N4C(/C=C/C2=C/C=CC=N2)=NC3=CC=CC=C3C4=O	1
C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F	1
C1=CC(=NC(=C1)Cl)NNC(=O)NC2=CC=C(C=C2)Cl	1
CC1=C/C(=C(/C2=CC(=C(C=C2)O)C)\\C3=CC=CC=C3C(=O)O)/C=CC1=O	1
CC(C)([H])C[C@@]([H])(CN)CC(O)=O	1
CC(C)(C)NC(=O)[C@@H]1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC	0
C1=CN2C=NNC(=O)C2=C1	0
CC(C)=CCCC(C)(OC(=O)C=CC1=CC=CC=C1)C=C	0
CCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)N(C)C	1
[Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1	0
COC1=C(C=C(C=C1)/C=N/NC2=C(C(=NS2)SC)C#N)OC	1
[F]/C1=C/C=C(C=C1)C(=O)CCCN2CCN(CC2)C(=O)OC3([H])CCCCC3	1
CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2	0
CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CN=CN3	1
C1CCN[C@@H](C1)CCC2=NC3=CC=CC=C3C=C2	1
CCSCC[C@@H](C(=O)O)N	0
BrC\C=C\CBr	0
CCOC(=O)C(C)(C)[C@@H](C(C)C)O	0
C1C[C@H](OC1)CN2C(=O)[C@H]3CC[C@H]\\4[C@@H]([C@@H]3C2=O)[C@@H]([C@@H](C/C4=N/NC(=O)OCC5=CC=CC=C5)O)O	0
O=C1NNC2=C1C=CC=C2	0
CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)C3=NC=CN=C3	1
COC1=CC=C(C=C1)C(=O)N2CCC3(CCCN(C3)CC4=CC=CC=C4OC)CC2	0
CC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)NC4=CC=CC=C4)N)C#N)OC	1
COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3	0
C1=CC=C(C(=C1)C(=O)NCC(=O)O)O	0
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO	0
CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C	0
C(N1CCN(CC1)C1=NC=CC=N1)C1=CC2=C(OCO2)C=C1	1
C1C(SC2=NC3=CC=CC=C3N2C1=O)C4=CC5=C(C=C4)OCO5	1
CCN1C(=O)[C@H]2CC[C@@H]\\3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](C/C3=N/NC(=O)OCC4=CC=CC=C4)O)O	0
CCOC1=C(C=C(C=C1)/C(=C/2\\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CS4)/O)Cl	1
CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1	0
C=CCO[C@@H](CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl	1
COC(=O)[C@@H]1C[C@H]1[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3	1
[Br-].CC[N+]1(CC)CCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	1
OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1	0
COC1=CC2=C(C=C1)C3=C(C=C2)N[C@@H](CC3)C(=O)O	0
CC1=CC=C(\C=N\N2C(=S)SC=C2C2=CC=CC=C2)C=C1	0
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Cl.N[C@@H](CS)C(O)=O	1
CN1C(=O)CC[S](=O)(=O)[C@@]1([H])C2=C/C=C(/[Cl])C=C2	1
Cl.CNC(C)C(O)C1=CC=C(O)C=C1	1
CCCCC(=O)NC1=CC(=C(C=C1OCC)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OCC	0
CN(C)C1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=C(C=C3)F)C[C@H]4CCCO4	0
CN1C=C(C2=CC=CC=C21)C3=NC4=CN=CN=C4N(C3=O)CC5=CC=C(C=C5)F	0
CC(C)NC(=O)N1CCCC2(C1)CCN(CC2)C(=O)OC3=CC=CC=C3	0
CCN(CC)CCNC(=O)C1=CC(Br)=C(N)C=C1OC	1
C[C@H]/1[C@H]2O[C@@H]([C@H](C=C2)O)COC(=O)C/C=C\\[C@H]([C@H]3O[C@@H]([C@H](C=C3)O)COC(=O)C/C=C1)C	0
CNCC[C@@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F	1
CCCCC[C@@H](/C=C\\[C@@H]1[C@@H](C[C@@H]([C@H]1C/C=C\\CCCC(=O)O)O)O)O.COC(CO)(CO)N	0
CNC(=O)NC(O)C(Cl)(Cl)Cl	0
CN1C=CC=C1C(=O)N2CCC3(CC2)CCN(CC3)C(=O)NC4=CC=CC=C4	0
CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NC[C@H](CO)O)I)C(=O)NC[C@H](CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NC[C@H](CO)O)I)C(=O)NC[C@H](CO)O)I	0
CC1=NC(=CS1)C2=C(ON=C2C(F)(F)F)C3=C(C=C(C=C3)O)O	1
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2C3=C(CCN4CCCC24C=C1OC)C=C1OCOC1=C3	0
C1CN(CCC12CN(C2)C3=CC=CC(=C3)C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)F	0
CNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl	1
BrCCCCCCBr	1
CC(=O)N1CCC2(CC1)CN(C2)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F	0
[Br-].C[N+](C)(C)CCO	1
CC1(C)CC2=C(O1)C(N)=CC=C2	1
O.O.[Ca++].[O-]C(=O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)CC1=CC=CC=C1.[O-]C(=O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)CC1=CC=CC=C1	0
C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC=C(C=C3)O)Br	1
NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1	1
CC(C)C1=CC=C(C=C1)N(C(C2=CC(=C(C=C2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)C3=CC=CS3	1
C[C@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CS(=O)(=O)O	0
CCCCCCCCCCCCN	0
CC(C1=CC(=C(C=C1Br)OC)OC)NC(=O)C2=CC(=CC=C2)Br	1
CCN(CC)C(=O)N/C1=C/C=C(/OC[C@@](O)([H])CNC(C)(C)C)C(=C1)C(C)=O	0
CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=CC4=C(CCC4)C=C3C=C2C	1
CN1C2=C(N(CCO)C=N2)C(=O)N(C)C1=O	0
C1CC2(C(CN=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C41	1
CCBr	1
CC1=NC2=CC=CC=C2C(=C1CC=C(C)C)C(=O)O	0
NCC1(CCCCC1)CC(O)=O	1
CN1C(=O)C2=C(C=CC=C2)C1=O	0
CCCC(=O)NC1=NN=C(S1)CC2=CC=CC=C2	1
CCCNS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1	1
CO[C@@]1([H])[C@@]([H])(CC(=O)O[C@@](C)([H])CC=CC=C[C@@](O)([H])[C@@](C)([H])C[C@@]([H])(CC=O)[C@@]1([H])O[C@@]3([H])O[C@@](C)([H])[C@@]([H])(O[C@@]2([H])C[C@@](C)(O)[C@@]([H])(OC(=O)CC(C)(C)[H])[C@@](C)([H])O2)[C@@]([H])(N(C)C)[C@@]3(O)[H])OC(C)=O	0
C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F	0
C1CC2(CCN(CC2)C(=O)C3=CSN=N3)CN(C1)CC4=CC=CC=C4	0
CCO[C@@H]1O[C@H](C(COCC2=CC=CC=C2)OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1O	0
CCCCN(CCCC)C1=CC(O)=C(C=C1)C(=O)C1=C(C=CC=C1)C(O)=O	0
COC1=CC=C(C=C1)C2=C(C(=O)OC2)C#N	0
C[C@@H]1/C=C\\CC(=O)N[C@H](C(=O)OC[C@@H]([C@H](/C=C\\CC(=O)OC[C@@H]1NS(=O)(=O)C2=CC=C(C=C2)C)C)OC)C	0
C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-]	0
CCCOC(=O)C1=CN=CN1[C@@](C)([H])C2=CC=CC=C2	1
CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C	0
CCCCCCCCCCO/C1=C(/OC)C=C(/C=C1/OC)C(N)=O	1
CC(=O)[C@@]3([H])CC[C@@]4([H])[C@@]2([H])CC[C@@]1([H])C[C@@](O)([H])CC[C@@]1(C)[C@@]2([H])C(=O)C[C@@]34C	1
CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)COC4=CC=CC=C4	0
C1=CC=C(C(=C1)C2=NC=CC(=N2)N3C=CN=C3)Cl	1
FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1	1
COC(=O)C1=C(OC)C=C(NC(C)=O)C(Cl)=C1	1
CC1=CC=C(C=C1)O[C@H]2C=C[C@H](O[C@H]2COC(=O)CC/C(=N\\O[C@@H](C)CN3CCCC4=C3C=C(C(=N4)C)C)/C)C#CC5=CC=CC=C5	1
NC(=O)CN1CCCC1=O	0
COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)CCC#N	0
COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C=N3)CCC4=CC=CC=C4	0
CCCN[C@@H](C)C(=O)NC1=C(SC=C1C)C(=O)OC	0
CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O	0
COC1=CC=CC(=C1)CN2C(=O)C=NC3=CN=C(N=C32)N4CCOCC4	1
CN1C(C(=O)NC2=NOC(C)=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O	1
C1CN(CCC12CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=NC=CN=C5	0
CC(C)(C)C1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)O)C(=O)O	0
Cl.CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=C(CN(C)C)C1=C3)C2=O	0
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NOCC2=CC(=C(C=C2)OC)Cl	1
COC1=CC=C(C=C1)C(=O)N2CCC3(CC2)CN(C3)CC4=CC=C(C=C4)C#N	0
CCC(O)=O.CCC(O)=O.O=C(NC1=CC=CC(=C1)C1=NCCN1)NC1=CC=CC(=C1)C1=NCCN1	0
NC(=O)NO	0
COC1=CC(=C(C=C1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC=CC(=C4)C#N)OC	0
COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=C(C=C3)F)OC4=CC(=CC=C4)Cl	0
COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)N3CCCC3	0
C1=CC=C(C=C1)C2=C(NC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4	1
COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C\\3/C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5	1
CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=CC(=C2)SC)CCN	1
CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3	0
CCCCOC(=O)CC	1
O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1	0
CCOC(=O)CNC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=CC=C3	1
CCCOC(=O)C(C)O	1
CC(C)(C)C(=O)NCCCC(O)=O	1
C[C@H]([C@H]1C[C@]1(C)[C@@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)NCC4CC4	1
CC(CO)(CO)CO	0
CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1	0
F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1C	0
CCOC1=CC=CC(=C1)CNCCNC(=O)C2=NON=C2N.Cl	1
CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O	0
C1CN(C(=O)N1CC2=CC=CC=C2Cl)CC(=O)O	1
COC(=O)C1=CC(=CC=C1)N2C(=S)N=NN2	1
FAIL	0
CCCCC(CC)COCCCN	0
COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)N4CCCCCC4	1
O=C1NCCN[C@@]1([H])C2=CC=C[S]2	1
NC1=CC=NC=C1N	0
CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O	1
CCCCOC[C@@]([H])(CN1C(=O)NC(=O)[C@@](CC)(C1=O)C2=CC=CC=C2)OC(N)=O	1
C1CN(CCC1NC(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3	1
CC1=C(C(=NO1)C)C2=NC=CC(=N2)NCCOC	0
Cl.CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2	1
C[C@H]1COC(=O)C/C=C\\[C@H]([C@@H](COC(=O)[C@H]2CCCN2C1=O)OC)C	0
CC1=C(C(=NN1)C2=C(C=C(C=C2)OCC(=C)C)O)C3=CC=C(C=C3)OC	1
C/C2=C/C(C)=CC(OC[C@@]1([H])CNC(=O)O1)=C2	1
CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1	0
COP(=O)(OC)OC	0
COC1=CC=CC=C1CNC(=O)CN2N=C(N=N2)C3=CC=NC=C3	1
CO/C4=C/C=C3OC1=CC=CC=C1/C=C(/N2CCN(C)CC2)C3=C4	1
CCCCN(C)C	0
C1=CC(=CC=C1N)S(=O)(=O)NCCN	0
CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2	0
CC(C)=CCCC(C)(OC(C)=O)C=C	0
C1CC2(CCN(CC2)C(=O)C3=NC=CN=C3)CN(C1)C(=O)NC4=CC=CC(=C4)C#N	0
CC(C)N1C(=NN=N1)SCC(=O)NCCC2=CC=CC=C2	1
CC1=CC(=C(C=C1)NP(=O)(C)OC2=CC=CC=C2OC)C	1
C[C@H]([C@@H]1C[C@@]1(C)[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)NC5=CC6=CC=CC=C6C=C5	0
C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C(=O)O	0
[Cl]/C2=C/C=C1N(C(=O)NC1=C2)[C@@]3([H])CCN(CC3)C[C@@]5([H])COC4=CC=CC=C4O5	1
ClC1=CC=CC(Cl)=C1N1C(=O)CC2=C1C=CC=C2	0
CN1CCC[C@@H]1C1=CN=CC=C1	1
CC(=O)C1=NC2=C(C3=CC=CC=C3N2COC)N=N1	0
C1CN(CCC12CN(C2)C3=NC=CC=N3)S(=O)(=O)C4=CC=CC=C4	0
C1=CC=C(C=C1)NNS(=O)(=O)C[C@@H](C(Cl)(Cl)Cl)O	0
C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N	0
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O	0
C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C4=NC(=NC=C4)C5=CC=CC=N5	1
CCCC(O)=O	0
C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC1=O)=C\NC(N)=O)[C@@H]1CCNC(N)=N1	0
OC(=O)C(CC1=CC(I)=C(O)C(I)=C1)C1=CC=CC=C1	0
CCN(CCCNC(=O)CC(C(=O)N1CCC2=CC=CC=C21)N3C=CN=C3)C4=CC=CC=C4	1
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	1
Cl[Sn](Cl)(Cl)Cl	0
[Na+].NC1=CC(=CC2=C1C(O)=CC(=C2)S(O)(=O)=O)S([O-])(=O)=O	0
[Cl-].CCCCN1C=C[N+](C)=C1C	0
COC1=CC(=CC(OC)=C1OC)C(=O)N1CCCCCCC1	1
CC1=NC(=CC=C1)NC(=S)NC(=O)C2=CC=CS2	1
CCN(C)C(=O)O/C1=C/C=CC(=C1)[C@@](C)([H])N(C)C	1
CN1C2=C(C=C1C(=O)NC3=CC=CC=C3)SC=C2	1
CC(C)C(Br)C(=O)NC(N)=O	0
C[C@H](O)CN(C)C	0
ClC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O	0
CC1=CC=C(C=C1)[Sb]2O[C@@H]([C@H](O2)[C@@H]([C@@H](C(=O)O)O)O)CO.O.O	0
COCCNC1=NC(=NC=C1)C2=CC=CC=C2C(F)(F)F	1
CC(C)([H])C[C@@]1([H])NC(=[S])N(CC=C)C1=O	1
CC1=CC=CC=C1C2=CN=CN=C2NC3=CC=CC=C3	1
[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4C=C(OC)C(O)=C5)C(=O)OC[C@H](N1[C@@H](O)[C@@H]1CC4=CC(C)=C(OC)C(O)=C4[C@H]2N1C)C1=C2OCOC2=C(C)C(OC(C)=O)=C31	0
O=C1CCCCO1	1
COC(=O)CCCCC(=O)OC	0
C1CCC2=C(C1)C(=O)N3C(=N2)C(=C(N3)N)N=NC4=CC=CC=C4	0
CC1=C(C(=NO1)C)C(=O)N2CCC[C@]3(C2)CCN(C3)C4=CC=CC=N4	0
C[C@]12CC[C@H]3[C@@H](CCC4=CC5=C(C[C@]34C)C=NO5)[C@@H]1CC[C@@]2(O)C#C	0
COCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)OC	0
C[C@]1(C[C@H]1C2CCCCC2)C(C3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CC=C5	0
CN(C)C(=O)C1=CC=C(O1)COC2=CC=CC=C2OC	1
C[C@H]1CCCC(=O)OC[C@@H]([C@H](/C=C\\CC(=O)OC[C@H]1OC)C)OC	0
CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2	0
CN(C)C1=CC=CC=C1CN2CCCN(C2C3=CC=NC=C3)CC4=CC=CC=C4N(C)C	0
CN1CCN(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)OC	0
COCOC1=C(C=C(C=C1)Br)C(=O)[C@@H]2[C@@H](O2)C3=CC(=CC=C3)OC	1
CCN1CCCC1CNC(=O)C(=O)NC2=CC=CC=C2OC	0
C1=CC=C2C=C(C=CC2=C1)C3=CSN=N3	1
CC1=CC=C(C=C1)N2C(=CN=C2NC3=NC(=CC(=N3)C)C)O	0
CC\\1=NN(C(=O)/C1=C\\C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=NC=C1	0
C1=CC=C(C=C1)S(=O)(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)F	0
CC(C)CCC1(C(=O)NC(=O)NC1=O)CCN	0
[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1	0
COC1=C(C=C(C=C1)C2=NNC(=C2)C3=C(C4=C(C(=C3O)OC)OC=C4)OC)OC	1
CC(C)COC=C	1
CC1(OC[C@H]2[C@@H](O1)[C@@H]([C@H](O2)N3C=NC4=C(N=C(N=C43)Cl)N)OS(=O)(=O)C)C	0
OC(=O)C1=CC=C(C=C1)S(=O)(=O)N(Cl)Cl	0
C/C=C/1\\C[C@@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C	0
O=C(OCCC1=CC=CC=C1)C=CC1=CC=CC=C1	0
CC1=C(SSC2=C(C)OC=C2)C=CO1	0
CCCCNC[C@@]2([H])COC1=CC=CC(OCC)=C1O2	1
CCCCCNCCCCC	0
CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O.O.O	0
COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCCN3CCOCC3	1
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC(=O)NC3=CC4=C(C=C3)OCCO4	1
C[C@@]1([H])CN(C)C[C@@]2([H])CC3=C(O[C@@]12O)C=CC4=CC=CC=C34	1
CC(=O)N1C(=NC(=N1)C2=CC=CO2)N	1
CCNC(C)CC1=CC(=CC=C1)C(F)(F)F	1
CC1=C(C2=CC=CC=C2N1)C3=CC(=NO3)C4=NOC(=C4)C5=C(NC6=CC=CC=C65)C	0
C[C@H]1COC(=O)[C@@H](NC(=O)C/C=C\\[C@H]([C@H](COC1=O)NS(=O)(=O)C2=CC=C(C=C2)C)C)C	0
CC1=CC(=CC=C1)CNC2=NC=NC=C2C3=CC=CC(=C3)C#N	1
CC(C)CN1C2=C(C=C1C(=O)OC)N(C=C2)C3=CC=C(C=C3)F	1
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[O-][N+](=O)C1=C2C=CC=CC2=CC2=CC=CC=C12	0
CCCCCC(=O)NC1=CC2=C(C=C1C)C(=CC(=O)N2)COC	0
ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1	0
C[C@@]4([H])CN(CCCN2C1=CC=CC=C1C3=CC=CC=C23)C[C@@](C)([H])N4	1
C1CN(CCC12CN(C2)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C4=NC=CN=C4	0
C1=CC(=CC=C1C2=NOC(=N2)CSC(=N)N)Cl	1
NC1=NC(=O)NC=C1	1
CN(C)C1=CC=C(C=C1)C2=CN=CN=C2NCC3=CC=CS3	1
C1=CC(=CC=C1[C@@H](CC(=O)O)CN)Cl	1
CN(C)C(=O)CO[C@@]2([H])C1=CC=CC=C1CCC3=CC=CC=C23	1
C1CC(C(=O)NC1)C(=O)NC2=CC=CC=C2C(F)(F)F	0
CC=C(C)C(=O)OCCC(C)CCC=C(C)C	0
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O	0
CC(C)CN1CC[C@]2(C1)CCCN(C2)C(=O)OC3=CC=CC=C3	0
C[C@@H]1/C=C\\CC(=O)OC[C@@H]2[C@H](C=C[C@H](O2)[C@@H](/C=C\\CC(=O)OC[C@H]1OC)C)O	0
COC1=C(C=C(C=C1)CC(=S)N2CCOCC2)OC	1
C1=CC=NC(=C1)OCC2=CC(=C(C=C2)Cl)Cl	1
NC1=C(F)C=NC(=O)N1	1
FAIL	0
CCCCCCCCCCCCC(O)=O	0
CN1CC[C@]23[C@H]4OC5=C(OC(C)=O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4OC(C)=O)=C35	1
C\C=C\C=C\CO	0
NC(=N)NCC1COC2=CC=CC=C2O1	1
CN(CC(=O)NC1=CC=CC2=C1CCCC2)S(=O)(=O)C3=CC=C(C=C3)Br	1
C[C@@H](CC1=CC=CC=C1)[C@@H](C)N	0
CC1=C(C(=CC=C1)C)OCCCOC2=C(C=C(C=C2)/C=C\\3/C(=N)N4C=CSC4=NC3=O)OC	1
CC(C)CCOCCC(C)C	0
OC(CCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1	0
CCOC(=O)N1CCN(CC1)C(=O)C2=CN=C3N(C2=O)CCS3	0
CC(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F	1
C1[C@H]2[C@H]([C@@H]([C@H](O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=O)(O1)[O-]	0
CCN1C(=O)[C@H]2CC[C@@H]\\3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](C/C3=N/OC/C=C(\\C)/CCC=C(C)C)O)O	0
C[C@@]12C3=CC=CC=C3C[C@H](N1)C4=CC=CC=C24	0
COC1=CC=C(C=C1)C(=O)OC2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl	1
[Cl]/C2=C/C=C1N(C(=O)NC1=C2)[C@@]5([H])CCN(CCCN3C(=O)NC4=CC=CC=C34)CC5	0
C[C@]12C[C@H]([C@@]3([C@H]([C@H]1C[C@@H]4[C@@]2(O[C@@](O4)(C)C5=CC=CC=C5)C(=O)CO)CCC6=CC(=O)C=C[C@]63C)F)O	0
C/C(=C(/C#N)\\C(=O)COC1=NC=NC2=C1C=C(C=C2)Br)/N	1
Cl.NC(=N)NC(=N)N1CCOCC1	1
C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N	0
COC1=CC(=C(C=C1)CNC2=NC(=NC=C2)C3=CC4=C(C=C3)OCO4)OC	1
CCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(O2)Br	1
CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1	1
C1CN(CCC12CCN(CC2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=CC=N4	0
F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1C	0
CC(C(=O)C1=CNC2=CC=CC=C21)N3CCSCC3	1
C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br	1
CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2	0
COC1=CC2=C(C=CC=C2N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)F)C=C1	0
C1[C@H]([C@H]([C@H]([C@@H]([C@H]1N)O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@@H](O3)CO)O[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	0
CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C	0
CCN4CCC=3NC2=CC([F])=C1[S]/C=C(/C)C1=C2C=3C4	1
CC=2O/N=C(/C1=C/C=C/C=C1/[Cl])C=2C(=O)N[C@@]3([H])C(=O)N4[C@@]3([H])[S]C(C)(C)[C@@]4([H])C(O)=O	0
CC1=CC=C(C=C1)S(=O)(=O)N[C@H](/C=N\\O[C@@H](C)C2=CC(=NO2)C3=C(C=C(C=C3C)C)C)[C@H](C)/C=C\\CC(=O)OC	1
NNC1=NN=CC2=CC=CC=C12	0
CS(=O)(=O)NC1=CC=CC(=C1)C2=NC=CC(=N2)NCC3=CC=CC=C3	1
CC(=O)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	0
CCOC(=O)[C@@]2(CCN(CC/C1=C/C=C(/N)C=C1)CC2)C3=CC=CC=C3	1
C1CN(CCC12CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5	0
C1C[C@@]2(CCN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)CN(C1)C(=O)C5=CC(=CC=C5)F	0
CC[C@H](N)C1=CC=CC=C1	0
CCOC1=CC=C(C=C1)C(=O)OCCN(CC)CC	1
CN(C)C(=O)C1=CC=C(C=C1)C2=NC=CC(=N2)NCC3=CC=CC=C3	0
COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1	0
NC1=NC(=O)NC=C1F	1
CCCCCC\C=C\C(=O)OC	1
CC1=C(C2=NC(=CC(=O)N2N1)CC(=O)OC)C3=CC=CC=C3	0
[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O	0
CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCN(CC2=CC=CC=C2)C(C)C	0
CC(N)=O	0
CC(C)OC(=O)C(C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1	0
[Cl-].C[N+](C)=CCl	1
COCCN(C1=NN=C(S1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CO3	1
C1CC(C2=CC=CC=C2C1)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O	0
CC1=C(O)C(=O)CO1	1
CCS(=O)(=O)N(C)[C@H]1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O	0
C1CCC(CC1)N2C(=O)[C@@H]3CC[C@H]4[C@H]([C@@H]3C2=O)[C@@H]([C@@H](CC4=O)O)O	0
CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3	1
[Cl-].C[N+](C)(C)CC1=CC=CC=C1	0
C1C(=NC2=CC=CC=C2)NN(C1=O)C3=CC=CC=C3	1
CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1	0
C1CCC(CC1)NC(=O)CN(C2=CC(=CC=C2)F)C(=O)CSC3=NC4=CC=CC=C4O3	1
CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCCl	0
COC1=CC2=C(C=C1)NC=C2CCN3C4=C(C=C3C(=O)N5CCCC5)[C@H]6[C@@H](C4)CN([C@@]6(CC7=CC=C(C=C7)F)C(=O)OC)C(=O)C8=CC=CC=C8	1
CC1C2=CC(NCC2=C(C1=O)C)(C)C(=O)OC	0
CC1(C)C2CCC1(C)C(=O)C2=O	1
[NH4+].[NH4+].OC(=O)CC(O)(CC([O-])=O)C([O-])=O	1
C[C@H]1/C=C\\CC(=O)OC[C@@H]([C@H](/C=C\\CC(=O)OC[C@@H]1NS(=O)(=O)C2=CC=C(C=C2)C)C)OC	0
OCCN(CCO)CCO	0
COC1=C(C=C(C=C1C1=CC2=CC=C(NS(C)(=O)=O)C=C2C=C1)N1C=CC(=O)NC1=O)C(C)(C)C	0
CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1	0
CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O	0
COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1	1
Cl.CC(NC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1	0
CCCN1C(=C2C=CC(=CC2=N1)C(=O)NC3CCCC4=CC=CC=C34)OCC	1
CN(C)CS/C(=N/[C@@H](C(Cl)(Cl)Cl)O)/N	0
CS(=O)(=O)NC1=CC=CC(=C1)C2=CN=CN=C2NCC3=CC=CC=C3	1
CCOC1=CC=CC(=C1)/C(=C/2\\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CO4)/O	1
[H]C(=O)N1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2	0
CC(C)CC(=O)CC(C)C	0
NC(=O)OC1(CCCCC1)C#C	1
COC1=CC(=C(C=C1)NC2=CC(=O)N(C(=O)N2)C3CCCCC3)OC	1
CCCCC(O)C1=CC=CC=C1	0
N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O	0
C[C@H]([C@@H]1C[C@@]1(C)[C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)NC4=CC5=CC=CC=C5C=C4	1
CC(C)CN1CC[C@]2(C1)CCCN(C2)C(=O)C3=CC(=CC=C3)F	0
COCCN1C(=O)C=NC2=CN=C(N=C21)OC3=CC=CC=C3	1
CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CC=CC=C3)(C(F)(F)F)O)C	1
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC	0
CCCCC1=C(OS(=O)(=O)N(C)C)N=C(NCC)N=C1C	0
C1=CC=C(C=C1)C(CC2=CN=CC=C2)(C3=CC=CC=C3)O	1
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N\\NC2=CS(=O)(=O)C=C2	0
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=NC=CN=C1)B(O)O	0
CCCC[C@@H]1C[C@H]1C(C2=CC=C(C=C2)C(=O)OC)NC(=O)C3=CC=CO3	1
C1CCC(CC1)(CC(=O)O)CN	0
COC1=C(C=C(C=C1)CCN=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-])OC	1
C[C@H]1CC2=C(C(=CC(=C2[C@H](N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8C[C@@H](N[C@@H](C8=C(C=C7O)O)C)C)O.CC(=O)O	0
COCCC1=CC=C(OCC(O)CNC(C)C)C=C1	0
CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12	1
[Na+].[O-]S(=O)(=O)CCS	0
CNC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)NC(=O)C(F)(F)F	0
[H][C@]1(C[C@H](N(C1)C(=O)CP(O)(=O)CCCCC1=CC=CC=C1)C(O)=O)C1CCCCC1	1
CC(=O)C1=CC=C(C=C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24	1
O.CC(O)C(O)=O.CCOC1=CC2=C(N)C3=C(C=C(N)C=C3)N=C2C=C1	0
CC[C@@]1(C)OC(=O)N(C)C1=O	1
[Cl-].CCN(CC)C1=CC=C(N=NC2=CC=C(C=C2)S(=O)(=O)N(C)C)C(=C1)S(=O)(=O)NCC[N+]1=CC=CC=C1	0
OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1	1
OP(=O)C1=CC=CC=C1	1
CN1C=NC2=C1C(=O)NC(=O)N2C	0
CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1	0
CC\\1(C2=CC=CC=C2N(/C1=C\\C(=O)COC(=O)CN3N=C(N=N3)C4=CC=CC=C4)C)C	1
C1CC2=CN=C(N=C2C3=CC=CC=C31)NC(=O)C4=CC=CC=C4	1
CS\C(C)=N\OC(=O)N(C)SN(C)C(=O)O\N=C(/C)SC	0
CN(C)C(C)=O	0
OCCN(CCO)N=O	0
CCC1=CC=C(C=C1)OCC(=O)NNC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C	1
OS(O)(=O)=O.CC[C@]1(O)C[C@H]2C[N@@](C1)CCC1=C(NC3=C1C=CC=C3)[C@@](C2)(C(=O)OC)C1=CC2=C(C=C1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](O)[C@]1(O)C(N)=O	0
C(CN)C#N	0
C#CCCCO/N=C\\1/C[C@H]([C@H]([C@H]2[C@@H]1CC[C@H]3[C@H]2C(=O)N(C3=O)C[C@@H]4CCCO4)O)O	0
CCOC(=O)C1=C(C2=C(O1)N=C(C3=C2CCC3)CC(C)C)N	1
CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CS(=O)(=O)CC(=O)NCCC3=C(C=CC(=C3)OC)OC	1
[O-][N+](=O)OCCNC(=O)C1=CN=CC=C1	1
CC(CC1=CC=CC=C1)N/C=C/2\\CC(=O)NC2=O	1
CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]	0
COC1=CN=C(N2C=NC(C)=N2)C2=C1C(=CN2)C(=O)C(=O)N1CCN(CC1)C(=O)C1=CC=CC=C1	0
CC1=C(N=C(N=C1C2CC2)N)C3=C(C(=NC(=N3)N)C4CC4)C	0
CC1=CC2=C([C@@H]([C@@H]3[C@@H](C2=O)O3)O)C(=O)O1	0
C1CN(CC2=CC=CC=C21)C(=O)CN3C=CC(=N3)[N+](=O)[O-]	1
C[C@H](CC(C)(C)N)O.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O	0
CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1	0
C[S@@](=N)(=O)CC[C@H](C(=O)O)N	0
CC1=CC2=C(C=C1C)N=C(N2)C3CCN(CC3)CC4=NN=NN4CC5=CC=CC=C5	1
CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1	1
CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCC3=CC=CO3	1
C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N	0
CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1	0
CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F	1
C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C(=O)C4=CC=CO4	0
CO[C@@]2(NC(=O)C/C1=C/C=C[S]1)C(=O)N3C(=C(C[S][C@@]23[H])COC(N)=O)C(O)=O	0
CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC)C	1
[Na+].[Na+].CN1C(CNC2=CC=C(C=C2)C(=O)NC(CCC([O-])=O)C([O-])=O)CNC2=NC(N)=NC(O)=C12	1
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC	1
[Na+].[Na+].[Na+].[Na+].CC1=CC(=CC=C1\N=N\C1=CC=C2C(=CC(=C(N)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O)C1=CC=C(\N=N\C2=C(O)C3=C(C=C2)C(=CC(=C3N)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1	0
CN(C)CCC1=CNC2=C1C=C(C=C2)/C=C\\C(=O)NCC3=CC=C(C=C3)OC	0
CC(=NOC[C@H]([C@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)O)O)C	0
CC(C1=CC=CC=C1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3	1
CN(C)C(=O)C1=CC2=C(N1C[C@@H](CO)O)C[C@@H]3[C@H]2[C@](N(C3)C(=O)C4=CC=CC=C4)(CC5=CC=CC=C5)C(=O)OC	1
CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	0
CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC	0
Cl.CN(C)CCS	0
C1CCC2(C1)CC(=O)N(C(=O)C2)CCNC[C@H]3COC4=CC=CC=C4O3	0
CCN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=NC=C3	1
CC1=C(C(=NO1)C)C2=NC=CC(=N2)NCC3=C(C=C(C=C3)OC)OC	1
C/C1=C/C=C(C=C1)[C@@]3(O)CCN(CCCC(=O)C2=C/C=C(/[F])C=C2)CC3	1
C1COCCN1C(C2=CC=CC=C2Cl)C3=NN=NN3CCOC(=O)NC4=CC=C(C=C4)Cl	1
CCC1=CC=C(C=C1)C1CCNCC1	1
C[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1C2=C(C(=C(C(=C2OC)OC)C)OC)OC)C(=O)OC)C)O	0
COC1=CC(=C(C=C1C(=O)CCCCN2CCC3(CC2)C(=O)NC(=O)N3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)OC	0
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