introvoyz041/EChem-Explorations huggingface dataset:
SMILES: O=[N+]([O-])c1ccc(F)nc1
Reactivity: 0.0066259849278139885
SMILES: CCc1ccc(C(=O)Cc2ccccc2)cc1
Reactivity: 0.9958495140075684
SMILES: O=C(O)c1ccccc1C(=O)c1ccc(F)cc1
Reactivity: 0.0003618489976304318
SMILES: CC12CCC3C(CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C)C1CCC2=O
Reactivity: 0.990832257270813
SMILES: CCOC(=O)C1(C)CCCC2(C)C3CCC4(C)CC3(CCC12)CC4=O
Reactivity: 0.9956388831138611
SMILES: O=C(ON1C(=O)CCC1=O)C1CCC(=O)N1C(=O)OCc1ccccc1
Reactivity: 0.6001353978179396
SMILES: O=C(c1ccc(O)cc1)c1ccc(Cl)cc1
Reactivity: 0.001979969817784877
SMILES: O=C(O)c1cccc2c1-c1ccccc1C2=O
Reactivity: 0.0001241140375100258
SMILES: Cc1cnc2ccccc2c1
Reactivity: 0.9715472340583802
SMILES: CC(=O)OCCC1=CCC2CC1C2(C)C
Reactivity: 0.9785323023796082
SMILES: O=C(F)c1ccc(-c2ccccc2)cc1
Reactivity: 0.029986954922787846
SMILES: Nc1ccc(Br)cc1
Reactivity: 0.030886900797486305
SMILES: O=C1C=CC(=O)c2c(O)ccc(O)c21
Reactivity: 2.369715814221074e-05
SMILES: O=C(n1ccnc1)n1ccnc1
Reactivity: 0.0002947127322642018
SMILES: COC(=O)Cc1ccccc1Br
Reactivity: 0.9289054274559021
SMILES: COc1ccc(CCCO)cc1
Reactivity: 0.983092212677002
SMILES: CC(C)CCOCc1ccccc1
Reactivity: 0.9867185354232788
SMILES: O=C(c1ccccc1)C(F)(F)F
Reactivity: 0.00822968826687429
SMILES: O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21
Reactivity: 7.116219777380314e-08
SMILES: CC(C)(C)c1ccc(C=O)cc1
Reactivity: 0.19122735150158404
SMILES: Cc1cc2nc(-c3ccccc3)oc2cc1C
Reactivity: 0.995450747013092
SMILES: COc1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O
Reactivity: 6.10306792179216e-05
SMILES: O=C(O)c1cc(=O)c2ccccc2[nH]1
Reactivity: 0.0002842933307192652
SMILES: O=c1c2ccccc2c2ccc3sc4ccccc4c4ccc1c2c34
Reactivity: 0.000683006990038848
SMILES: Brc1c2ccccc2cc2c1ccc1ccccc12
Reactivity: 0.005071182009123732
SMILES: ON=Cc1ccccc1
Reactivity: 0.013606972238630988
SMILES: COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3CCC12
Reactivity: 0.9956156492233277
SMILES: Oc1ccc2c(ccc3ccccc32)c1
Reactivity: 0.0055152234739580305
SMILES: O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O
Reactivity: 0.18937285848005558
SMILES: CC(C)(C)c1ccc(CCc2ccccc2)cc1
Reactivity: 0.9929588079452515
SMILES: OCc1cccnc1
Reactivity: 0.8540178656578064
SMILES: CCCc1ccccc1
Reactivity: 0.9720592379570008
SMILES: c1ccc2c(c1)CCC2
Reactivity: 0.9732261896133423
SMILES: O=C(c1ccccc1)N1CCCC1
Reactivity: 0.8335092067718506
SMILES: C=C(C)C1CCC2=CCCC(C)C2(C)C1
Reactivity: 0.9733963370323181
SMILES: Nc1ccc(C2(c3ccc(N)c(F)c3)c3ccccc3-c3ccccc32)cc1F
Reactivity: 0.006343005483358866
SMILES: CCc1ccccc1CC
Reactivity: 0.9921648979187012
SMILES: CC(C)c1ccc(CCc2ccccc2)cc1
Reactivity: 0.9967736601829529
SMILES: O=C1c2ccccc2-c2ccc(Br)c3cccc1c23
Reactivity: 0.00042446045795259125
SMILES: [O-][n+]1ccc(Cl)cc1
Reactivity: 0.22348755672574044
SMILES: c1ccc2c(c1)CCCC2
Reactivity: 0.9803395748138428
SMILES: O=C1C=CC(=O)C=C1
Reactivity: 0.024134766425413547
SMILES: CN(C)c1ccccc1
Reactivity: 0.424155530333519
SMILES: CC(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1
Reactivity: 0.9889797806739807
SMILES: C=C1C(=O)OC2CC3(C)CCCC(=C)C3CC12
Reactivity: 0.9241898775100708
SMILES: Cc1ccc2ncccc2c1
Reactivity: 0.9682372689247132
SMILES: COC(=O)C(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1
Reactivity: 0.5757538316072897
SMILES: NC(CO)C(=O)O
Reactivity: 0.06761005306616426
SMILES: O=C(C(=O)c1ccccc1)c1ccccc1
Reactivity: 0.0068690150859765705
SMILES: Clc1ccnc(Cl)n1
Reactivity: 0.01814826054032892
SMILES: CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C
Reactivity: 0.9922418832778931
SMILES: CCc1ccccc1OC
Reactivity: 0.9828465342521667
SMILES: O=C1C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21
Reactivity: 4.3515201628174795e-05
SMILES: C1CCOCC1
Reactivity: 0.8592219710350036
SMILES: Cc1cc(C)cc(C(C)(C)C)c1
Reactivity: 0.995851457118988