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STRUCTURE_SMILES,-log10(LC50_mmol)
C1=CC(C=O)=CC(OC)=C1OCCCCCC,1.9469215565165803
C1(OC)=C([N+]([O-])=O)C(C=O)=CC(Br)=C1O,0.575118363368933
C1=CC(Cl)=CC=C1OC2=C([N+](=O)[O-])C=CC=C2,2.114073660198569
CC1=C(NC=O)C=CC=C1Cl,0.5606673061697374
CCCCOC(=O)C1=CC=CC(C(=O)OCCCC)=C1,2.490797477668897
C(C1=CC=CC=C1)(C2=CC=CC=C2)(O)C#C,1.2732727909734278
CCCSCCSCCC,1.3746875490383261
CCCSCCCCSCCC,1.8386319977650252
CCCSCCCCSCCC,1.7328282715969863
ClCCOC(=O)NC1CCCCC1,0.7695510786217261
O=C1C(C2=CC=CC=C2)(C(=O)NC(=O)N1)CC,-0.31806333496276157
OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],1.2276782932770802
NC(=O)OCC,-1.7693773260761385
[O-]C(C1=CC=CC=C1O)=O.[Na+],-1.0969100130080565
C1=CC=CC=C1C(=O)N,-0.7371926427047373
CC[N+](CC)(CC)CC1(=CC=CC=C1).[Cl-],0.1505805862031006
CN(C)N,0.8827287043442358
CC(C(C(NC([O-])=N1)=O)(C1=O)CC)CCC.[Na+],0.7011469235902933
N1C(=O)C(CC)(CCC(C)C)C(=O)NC1=O,0.42365864979420714
O=C1C2=C(N=CN2C)N(C(=O)N1C)C,0.10902040301031106
C1=CC=C2C(=C1)C(=O)C(C)=CC2=O,3.1944991418415998
OC1=C(Cl)C(Cl)=C(Cl)C=C1Cl,2.3526170298853804
OC1=CC(C)=C(Cl)C=C1,1.4156687756324693
O=S(O)(O)=O.C1(=CC=CC=C1CC(N)C).C2=CC=CC=C2CC(N)C,1.106793246940152
O(CC)CC,-1.5378190950732742
NC1=CC=CC=C1,-0.05307844348341968
O=C(OC1=C2C(=CC=C1)C=CC=C2)NC,1.3615107430453628
CCO,-2.503790683057181
C1(=NC=CC=C1C2CCCN2C).OS(O)(=O)=O,1.275724130399211
C1(O)=CC=CC=C1C(=O)N,0.13312218566250114
CCCCCC=O,0.7569619513137056
O=C1OC2=CC=CC=C2C(O)=C1CC3=C(O)C4=CC=CC=C4OC3=O,1.8181564120552274
C1(C=O)=CC=C(OC2=CC=CC=C2)C=C1,1.6345120151091004
CO,-2.962369335670021
OC(C)C,-2.1583624920952498
CC(=O)C,-2.089905111439398
ClC(Cl)Cl,0.22767829327708025
CS(=O)C,-2.6384892569546374
ClC(C(Cl)(Cl)Cl)(Cl)Cl,2.221848749616356
OC1=C(C=C(C(=C1CC2=C(C(=CC(=C2Cl)Cl)Cl)O)Cl)Cl)Cl,4.287350298372789
C1=CC(=CC=C1N)C(=O)CC,0.009217308196862182
OCCC,-1.8790958795000727
CCCCO,-1.3673559210260189
CCCCCO,-0.72916478969277
C1=CC=CC=C1,0.6478174818886375
CC(Cl)(Cl)Cl,0.4497716469449059
[S-]C1=NC(C(C(C)CCC)(CC)C(N1)=O)=O.[Na+],1.0039263455147247
CC#N,-1.6031443726201824
CC=O,0.11520463605101904
ClCCl,-0.5899496013257077
IC(I)I,2.129596094720973
[N+](C)(C)(C)C.[Cl-],-0.6253124509616739
CC(C)(C)O,-1.9370161074648142
C(F)(F)(F)CO,-0.07554696139253074
CC(=O)C(C)(C)C,0.06098022355133353
ClC(C(Cl)Cl)(Cl)Cl,1.4294570601181025
CC1(C)NC(=O)NC1=O,-2.110589710299249
CCC(O)(C)CC,-0.8182258936139555
C#CC(O)(C)CC,-1.0934216851622351
C1CCCC(C#C)(O)C1,-0.31386722036915343
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,1.5512936800949202
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,1.7423214251308154
OCC(C)C,-1.2855573090077739
CC(Cl)CCl,-0.04921802267018165
NCC(N)C,-1.1335389083702174
CC(O)CC,-1.6946051989335686
CCC(=O)C,-1.6503075231319364
OC(C)CN,-1.526339277389844
ClC(CCl)Cl,0.21324857785443882
ClC(=CCl)Cl,0.4736607226101559
CC(=O)OC,-0.6830470382388496
ClC(C(Cl)Cl)Cl,0.9172146296835499
C1(C)(C)CCCC(C)=C1C=CC(C)=O,1.576754126063192
ClC1=C(O)C(Cl)=CC(=C1)C(C2=CC(Cl)=C(O)C(=C2)Cl)(C)C,2.4400933749638876
C(C1C=CC(=CC=1)O)(CC)(C)C,1.8013429130455774
C1CC(CCC1(N)C)C(C)(N)C,0.41680122603137726
ClC(Cl)C1=C(Cl)C=CC=C1Cl,2.374687549038326
C1=CC=C2C=CC=C3C2=C1CC3,1.9507819773298183
CC1=CNC2=C1C=CC=C2,1.1713401034646802
C1=CC=CC=C1OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3,3.600326278518962
CCOC(=O)C1=CC=CC=C1C(=O)OCC,0.8446639625349383
C1=CC=C(C(=O)OCCCC)C(=C1)C(=O)OCCCC,2.444905551421681
O=C1C2=C(C=CC=C2)N=NN1CSP(=S)(OC)OC,3.694648630553376
C1=CC=CC=C1NC(=O)C2=C(O)C=CC=C2,1.7328282715969863
Cl\C(Cl)=C(Cl)/C(Cl)=C(Cl)\Cl,3.462180904926726
OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,3.040005161671584
OC1=C(C=C(C=C1Cl)Cl)Cl,1.6055483191737838
OC1=CC(C(F)(F)F)=C([N+]([O-])=O)C=C1,1.3555614105321614
C1(N)=CC=CC=C1C(=O)N,-0.4623979978989561
C1(N)=CC=CC=C1C(=O)N,-0.3979400086720376
OC1=C([N+]([O-])=O)C=CC=C1,-0.06069784035361165
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