Question:
Sort these molecules by ring count (lowest to highest):
1. CCN1C=CC2=CC=CC=C21
2. CN1C(=S)SC(=N1)SC
3. diethyl-(1-methoxy-2-methylprop-1-enoxy)borane
4. 2,2-bis(hydroxymethyl)-6-methyl-1,3-dioxin-4-one
5. (6R,7R)-6,7-dimethyl-4,6,7,8-tetrahydro-1,3-benzodioxin-5-one
6. (1S,2R,5S,6R)-1,6,7,8-tetraphenyltricyclo[4.2.1.02,5]non-7-en-9-one
7. (4-nitrophenyl)-(1,3-oxazinan-3-yl)diazene

Molecule 6 < Molecule 5 = Molecule 7 = Molecule 1 < Molecule 2 = Molecule 4 < Molecule 3

Molecule 3 < Molecule 1 < Molecule 6 < Molecule 4 < Molecule 7 < Molecule 5 < Molecule 2

Molecule 3 < Molecule 4 = Molecule 2 < Molecule 5 = Molecule 6 = Molecule 7 < Molecule 1

Molecule 3 < Molecule 2 = Molecule 4 < Molecule 1= Molecule 5 = Molecule 7 < Molecule 6

Answer: D

Explanation:
Calculated ring count values:
Molecule 1 [CCN1C=CC2=CC=CC=C21]: 2.00
Molecule 2 [CN1C(=S)SC(=N1)SC]: 1.00
Molecule 3 [B(CC)(CC)OC(=C(C)C)OC]: 0.00
    Name: diethyl-(1-methoxy-2-methylprop-1-enoxy)borane
Molecule 4 [CC1=CC(=O)OC(O1)(CO)CO]: 1.00
    Name: 2,2-bis(hydroxymethyl)-6-methyl-1,3-dioxin-4-one
Molecule 5 [C[C@@H]1CC2=C(COCO2)C(=O)[C@@H]1C]: 2.00
    Name: (6R,7R)-6,7-dimethyl-4,6,7,8-tetrahydro-1,3-benzodioxin-5-one
Molecule 6 [C1C[C@H]2[C@@H]1[C@@]3(C(=C([C@]2(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7]: 7.00
    Name: (1S,2R,5S,6R)-1,6,7,8-tetraphenyltricyclo[4.2.1.02,5]non-7-en-9-one
Molecule 7 [C1CN(COC1)N=NC2=CC=C(C=C2)[N+](=O)[O-]]: 2.00
    Name: (4-nitrophenyl)-(1,3-oxazinan-3-yl)diazene

Correct order (increasing ring count):
Molecule 3 [B(CC)(CC)OC(=C(C)C)OC] (0.00) < Molecule 2 [CN1C(=S)SC(=N1)SC] (1.00) < Molecule 4 [CC1=CC(=O)OC(O1)(CO)CO] (1.00) < Molecule 1 [CCN1C=CC2=CC=CC=C21] (2.00) < Molecule 5 [C[C@@H]1CC2=C(COCO2)C(=O)[C@@H]1C] (2.00) < Molecule 7 [C1CN(COC1)N=NC2=CC=C(C=C2)[N+](=O)[O-]] (2.00) < Molecule 6 [C1C[C@H]2[C@@H]1[C@@]3(C(=C([C@]2(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7] (7.00)

Difficulty: Medium
Reason: Base difficulty for Rings: Easy.
Increased to Medium due to complex structures.


Question:
Which structure shows the greatest similarity to the reference molecule?
Reference SMILES: CN(C)/N=C(\CC(=O)C1=CC=C(C=C1)Cl)/C(=O)OC
1. CC(C)C1=CC(=O)C(=C(C=C1)O)O
2. CC1=CC(=O)OC(O1)(COC(=O)C)COC(=O)C
3. CC1=C(C=CC(=O)O1)C(=O)OC
4. 4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazol-3-yl]morpholine

Answer: B

Explanation:
Calculated Tanimoto similarities (ECFP4 fingerprint):
Molecule 1 (CC(C)C1=CC(=O)C(=C(C=C1)O)O): 0.115
Molecule 2 (CC1=CC(=O)OC(O1)(COC(=O)C)COC(=O)C): 0.143
Molecule 3 (CC1=C(C=CC(=O)O1)C(=O)OC): 0.200
Molecule 4 (4-[4-[2-nitro-4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazol-3-yl]morpholine): 0.078
    SMILES: C1COCCN1C2=NSN=C2OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Molecule 3 has the highest similarity (0.200)

Difficulty: Hard
Reason: Similarity comparison with Hard.


Question:
Which structure shows the greatest similarity to the reference molecule?
Reference SMILES: COC1=CC(=C(C=C1)C(C#C)O)C#C/C=C\2/CCC=C2OS(=O)(=O)C(F)(F)F
1. CC1=CC(=CN=C1)C
2. ethyl (2E)-2-(oxolan-2-ylidene)acetate
3. COC1=CC(=C(C=C1)C(C#C[Si](C)(C)C)O)C#C/C=C\2/CCC=C2OS(=O)(=O)C(F)(F)F
4. C(CCl)C(=O)N

Molecule 2: ethyl (2E)-2-(oxolan-2-ylidene)acetate

Answer: D

Explanation:
Calculated Tanimoto similarities (ECFP4 fingerprint):
Molecule 1 (CC1=CC(=CN=C1)C): 0.060
Molecule 2 (ethyl (2E)-2-(oxolan-2-ylidene)acetate): 0.101
    SMILES: CCOC(=O)/C=C/1\CCCO1
Molecule 3 (COC1=CC(=C(C=C1)C(C#C[Si](C)(C)C)O)C#C/C=C\2/CCC=C2OS(=O)(=O)C(F)(F)F): 0.791
Molecule 4 (C(CCl)C(=O)N): 0.029

Molecule 3 has the highest similarity (0.791)

Difficulty: Hard
Reason: Similarity comparison with Hard.


Question:
Which of the following molecules has the highest structural similarity to the reference molecule?
Reference molecule: 3-METHOXYBENZOIC ACID
1. 2-chlorobenzoic acid
2. CC(=O)C1=CC(=CC=C1)OC
3. [3,3-bis(ethylsulfanyl)-2-hydroxypropyl] 4-methylbenzenesulfonate
4. diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane

Molecule 3: [3,3-bis(ethylsulfanyl)-2-hydroxypropyl] 4-methylbenzenesulfonate

Answer: A

Explanation:
Calculated Tanimoto similarities (ECFP4 fingerprint):
Molecule 1 (2-chlorobenzoic acid): 0.265
    SMILES: C1=CC=C(C(=C1)C(=O)O)Cl
Molecule 2 (CC(=O)C1=CC(=CC=C1)OC): 0.714
Molecule 3 ([3,3-bis(ethylsulfanyl)-2-hydroxypropyl] 4-methylbenzenesulfonate): 0.137
    SMILES: CCSC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)SCC
Molecule 4 (diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane): 0.094
    SMILES: CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C

Molecule 2 has the highest similarity (0.714)

Difficulty: Hard
Reason: Similarity comparison with Hard.


Question:
Among these compounds, which one is most similar to the reference structure?
Reference molecule: (2Z)-2-(2,2-dimethylpropylidene)-3,4-dihydronaphthalen-1(2H)-one
1. CC(C)(C)/C=C/1\CCC2=CC=CC=C2C1=O
2. 4-iodo-2-methylphenol
3. C1C2CC(C1C=C2)C=C3S(=O)(=O)C4=C(C5=CC=CC=C5C=C4)C6=C(S3(=O)=O)C=CC7=CC=CC=C76
4. N'-(4-methylanilino)-N-[(5-methyl-1H-pyrazol-3-yl)imino]benzenecarboximidamide

Answer: C

Explanation:
Calculated Tanimoto similarities (ECFP4 fingerprint):
Molecule 1 (CC(C)(C)/C=C/1\CCC2=CC=CC=C2C1=O): 1.000
Molecule 2 (4-iodo-2-methylphenol): 0.091
    SMILES: CC1=C(C=CC(=C1)I)O
Molecule 3 (C1C2CC(C1C=C2)C=C3S(=O)(=O)C4=C(C5=CC=CC=C5C=C4)C6=C(S3(=O)=O)C=CC7=CC=CC=C76): 0.129
Molecule 4 (N'-(4-methylanilino)-N-[(5-methyl-1H-pyrazol-3-yl)imino]benzenecarboximidamide): 0.092
    SMILES: CC1=CC=C(C=C1)N/N=C(/C2=CC=CC=C2)\N=NC3=NNC(=C3)C

Molecule 1 has the highest similarity (1.000)


Question:
Based on molecular similarity, which molecule is closest to the reference compound?
Reference molecule: CN(C1=CC=CC=C1)C2=C(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4CCCCC4
1. CCO
2. C[SiH](C)C=C
3. N-cyclohexyl-5-(N-methylanilino)-3-phenyl-1,2-oxazole-4-carboxamide
4. (3S,4R,5S)-3,5-diazido-4-bromo-1,2,4,5-tetramethyldiazinane

Answer: D

Explanation:
Calculated Tanimoto similarities (ECFP4 fingerprint):
Molecule 1 (CCO): 0.034
Molecule 2 (C[SiH](C)C=C): 0.016
Molecule 3 (N-cyclohexyl-5-(N-methylanilino)-3-phenyl-1,2-oxazole-4-carboxamide): 0.804
    SMILES: CN(C1=CC=CC=C1)C2=C(C(=NO2)C3=CC=CC=C3)C(=O)NC4CCCCC4
Molecule 4 ((3S,4R,5S)-3,5-diazido-4-bromo-1,2,4,5-tetramethyldiazinane): 0.048
    SMILES: C[C@@]1(CN(N([C@H]([C@]1(C)Br)N=[N+]=[N-])C)C)N=[N+]=[N-]

Molecule 3 has the highest similarity (0.804)

Difficulty: Hard
Reason: Similarity comparison with Hard.


Question:
Which of the following molecules has the highest structural similarity to the reference molecule?
Reference SMILES: CC(C)[C@H]1C(=N[C@@H](C(=N1)OC)[C@@H](C[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])OC
1. (2R,5S)-3,6-dimethoxy-2-[(1R)-2-nitro-1-phenylethyl]-5-propan-2-yl-2,5-dihydropyrazine
2. 1,6-diphenylpyrrolo[1,2-b][1,2,4]triazole
3. 2-[2-(carboxymethoxy)-2-(4,5-dimethoxy-2-nitrophenyl)ethoxy]acetic acid
4. COC(=O)C=[N+]=[N-]

Molecule 3: 2-[2-(carboxymethoxy)-2-(4,5-dimethoxy-2-nitrophenyl)ethoxy]acetic acid

Answer: C

Explanation:
Calculated Tanimoto similarities (ECFP4 fingerprint):
Molecule 1 ((2R,5S)-3,6-dimethoxy-2-[(1R)-2-nitro-1-phenylethyl]-5-propan-2-yl-2,5-dihydropyrazine): 0.778
    SMILES: CC(C)[C@H]1C(=N[C@@H](C(=N1)OC)[C@@H](C[N+](=O)[O-])C2=CC=CC=C2)OC
Molecule 2 (1,6-diphenylpyrrolo[1,2-b][1,2,4]triazole): 0.077
    SMILES: C1=CC=C(C=C1)C2=CN3C(=C2)N(C=N3)C4=CC=CC=C4
Molecule 3 (2-[2-(carboxymethoxy)-2-(4,5-dimethoxy-2-nitrophenyl)ethoxy]acetic acid): 0.206
    SMILES: COC1=C(C=C(C(=C1)C(COCC(=O)O)OCC(=O)O)[N+](=O)[O-])OC
Molecule 4 (COC(=O)C=[N+]=[N-]): 0.093

Molecule 1 has the highest similarity (0.778)

Difficulty: Hard
Reason: Similarity comparison with Hard.


Question:
Order these compounds from highest to lowest drug-likeness score:
1. CCCNC(=S)C(F)P(=O)(OCC)OCC
2. CCCCN1C(=O)C2=NC3=C(C=CC(=C3)C(=O)C)N(C2=NC1=O)C
3. COC(=O)C(=[N+]=[N-])[C@H](C#CC1=CC=CC=C1)O
4. CCOC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/C#N
5. CC1=CC(=C(C=C1)C2=CSC(=O)O2)C

Molecule 2 > Molecule 1 > Molecule 4 > Molecule 5 > Molecule 3

Molecule 4 > Molecule 2 > Molecule 1 > Molecule 3 > Molecule 5

Molecule 4 > Molecule 2 > Molecule 3 > Molecule 5 > Molecule 1

Molecule 5 > Molecule 1 > Molecule 2 > Molecule 4 > Molecule 3

Answer: D

Explanation:
Calculated drug-likeness score values:
Molecule 1 [CCCNC(=S)C(F)P(=O)(OCC)OCC]: 0.54
Molecule 2 [CCCCN1C(=O)C2=NC3=C(C=CC(=C3)C(=O)C)N(C2=NC1=O)C]: 0.54
Molecule 3 [COC(=O)C(=[N+]=[N-])[C@H](C#CC1=CC=CC=C1)O]: 0.26
Molecule 4 [CCOC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/C#N]: 0.46
Molecule 5 [CC1=CC(=C(C=C1)C2=CSC(=O)O2)C]: 0.72

Correct order (decreasing drug-likeness score):
Molecule 5 [CC1=CC(=C(C=C1)C2=CSC(=O)O2)C] (0.72) > Molecule 1 [CCCNC(=S)C(F)P(=O)(OCC)OCC] (0.54) > Molecule 2 [CCCCN1C(=O)C2=NC3=C(C=CC(=C3)C(=O)C)N(C2=NC1=O)C] (0.54) > Molecule 4 [CCOC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/C#N] (0.46) > Molecule 3 [COC(=O)C(=[N+]=[N-])[C@H](C#CC1=CC=CC=C1)O] (0.26)

Difficulty: Hard
Reason: Base difficulty for QED: Hard.


Question:
Sort these molecules by topological polar surface area (highest to lowest):
1. CO/C(=C\1/CCSC2=CC=CC=C2N1)/C(=O)SC
2. 1-[8-(benzylamino)-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]-2,2,2-trifluoroethanone
3. CCCSC(C)C
4. 3,5-dichloro-2-fluoropyridine
5. CC1C=COP12(OCCO2)C3=CC=CC=C3

Molecule 1 > Molecule 2 > Molecule 3 > Molecule 5 > Molecule 4

Molecule 2 > Molecule 1 > Molecule 5 > Molecule 4 > Molecule 3

Molecule 2 > Molecule 1 > Molecule 4 > Molecule 5 > Molecule 3

Molecule 1 > Molecule 4 > Molecule 3 > Molecule 2 > Molecule 5

Answer: B

Explanation:
Calculated topological polar surface area values:
Molecule 1 [CO/C(=C\1/CCSC2=CC=CC=C2N1)/C(=O)SC]: 38.33
Molecule 2 [C1=CC=C(C=C1)CNC2=C(C=C(C3=C2N=CC=C3)C(=O)C(F)(F)F)C(=O)C(F)(F)F]: 59.06
    Name: 1-[8-(benzylamino)-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]-2,2,2-trifluoroethanone
Molecule 3 [CCCSC(C)C]: 0.00
Molecule 4 [C1=C(C=NC(=C1Cl)F)Cl]: 12.89
    Name: 3,5-dichloro-2-fluoropyridine
Molecule 5 [CC1C=COP12(OCCO2)C3=CC=CC=C3]: 27.69

Correct order (decreasing topological polar surface area):
Molecule 2 [C1=CC=C(C=C1)CNC2=C(C=C(C3=C2N=CC=C3)C(=O)C(F)(F)F)C(=O)C(F)(F)F] (59.06) > Molecule 1 [CO/C(=C\1/CCSC2=CC=CC=C2N1)/C(=O)SC] (38.33) > Molecule 5 [CC1C=COP12(OCCO2)C3=CC=CC=C3] (27.69) > Molecule 4 [C1=C(C=NC(=C1Cl)F)Cl] (12.89) > Molecule 3 [CCCSC(C)C] (0.00)

Difficulty: Hard
Reason: Base difficulty for TPSA: Hard.


Question:
Arrange the following molecules in decreasing order of topological polar surface area:
1. 5-(dibromomethylidene)-3-ethylfuran-2-one
2. 2-bromoethyl (1S,2R)-2-but-3-en-1-ynyl-2-methylcyclopropane-1-carboxylate
3. [C@@H]1([C@H](C([C@H]([C@@H](C1O)O)O)F)O)O

Answer: B

Explanation:
Calculated topological polar surface area values:
Molecule 1 [CCC1=CC(=C(Br)Br)OC1=O]: 26.30
    Name: 5-(dibromomethylidene)-3-ethylfuran-2-one
Molecule 2 [C[C@]1(C[C@@H]1C(=O)OCCBr)C#CC=C]: 26.30
    Name: 2-bromoethyl (1S,2R)-2-but-3-en-1-ynyl-2-methylcyclopropane-1-carboxylate
Molecule 3 [[C@@H]1([C@H](C([C@H]([C@@H](C1O)O)O)F)O)O]: 101.15

Correct order (decreasing topological polar surface area):
Molecule 3 [[C@@H]1([C@H](C([C@H]([C@@H](C1O)O)O)F)O)O] (101.15) > Molecule 1 [CCC1=CC(=C(Br)Br)OC1=O] (26.30) > Molecule 2 [C[C@]1(C[C@@H]1C(=O)OCCBr)C#CC=C] (26.30)

Difficulty: Medium
Reason: Base difficulty for TPSA: Hard.
Decreased to Medium due to simple structures.


Question:
Order these compounds from highest to lowest drug-likeness score:
1. CCN(CC)C(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)C
2. CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C
3. CC(C)(CCl)Cl

Answer: C

Explanation:
Calculated drug-likeness score values:
Molecule 1 [CCN(CC)C(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)C]: 0.82
Molecule 2 [CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C]: 0.76
Molecule 3 [CC(C)(CCl)Cl]: 0.47

Correct order (decreasing drug-likeness score):
Molecule 1 [CCN(CC)C(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)C] (0.82) > Molecule 2 [CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C] (0.76) > Molecule 3 [CC(C)(CCl)Cl] (0.47)

Difficulty: Hard
Reason: Base difficulty for QED: Hard.


Question:
Based on number of rotatable bonds, which arrangement represents these molecules in ascending order?
1. N-(3,3-dimethylpyrazolo[3,4-c]pyridin-5-yl)benzamide
2. CS[C@H]1C2=CC=CC=C2NC1=O
3. 5-fluoro-6-morpholin-4-yl-3-oxido-2,1,3-benzoxadiazol-3-ium
4. C1CCCCCCCCCCCCCCC1

Molecule 1 < Molecule 2 = Molecule 3 < Molecule 4

Molecule 1 < Molecule 4 < Molecule 2 = Molecule 3

Molecule 2 < Molecule 3 < Molecule 1 < Molecule 4

Molecule 4 < Molecule 2 = Molecule 3 < Molecule 1

Answer: D

Explanation:
Calculated number of rotatable bonds values:
Molecule 1 [CC1(C2=CC(=NC=C2N=N1)NC(=O)C3=CC=CC=C3)C]: 2.00
    Name: N-(3,3-dimethylpyrazolo[3,4-c]pyridin-5-yl)benzamide
Molecule 2 [CS[C@H]1C2=CC=CC=C2NC1=O]: 1.00
Molecule 3 [C1COCCN1C2=CC3=NO[N+](=C3C=C2F)[O-]]: 1.00
    Name: 5-fluoro-6-morpholin-4-yl-3-oxido-2,1,3-benzoxadiazol-3-ium
Molecule 4 [C1CCCCCCCCCCCCCCC1]: 0.00

Correct order (increasing number of rotatable bonds):
Molecule 4 [C1CCCCCCCCCCCCCCC1] (0.00) < Molecule 2 [CS[C@H]1C2=CC=CC=C2NC1=O] (1.00) < Molecule 3 [C1COCCN1C2=CC3=NO[N+](=C3C=C2F)[O-]] (1.00) < Molecule 1 [CC1(C2=CC(=NC=C2N=N1)NC(=O)C3=CC=CC=C3)C] (2.00)

Difficulty: Medium
Reason: Base difficulty for RotBonds: Easy.
Increased to Medium due to complex structures.


Question:
Based on ring count, what is the total number of rings in these molecules?
1. ethyl [1,3]azaphospholo[1,5-a]pyridine-3-carboxylate
2. C1=CC(=CC=C1C(=O)C(Cl)Cl)I
3. 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
4. CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=C(S2)C=C(C=C3)C#N
5. 3-bromo-6-nitro-1-phenylindazole
6. C1CC2CC(=O)CC(C1)(C2)O

Answer: C

Explanation:
Calculated ring count values:
Molecule 1 [CCOC(=O)C1=PC=C2N1C=CC=C2]: 2.00
    Name: ethyl [1,3]azaphospholo[1,5-a]pyridine-3-carboxylate
Molecule 2 [C1=CC(=CC=C1C(=O)C(Cl)Cl)I]: 1.00
Molecule 3 [CC1(OCC(O1)C2C(OC(O2)(C)C)C=O)C]: 2.00
    Name: 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
Molecule 4 [CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=C(S2)C=C(C=C3)C#N]: 3.00
Molecule 5 [C1=CC=C(C=C1)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=N2)Br]: 3.00
    Name: 3-bromo-6-nitro-1-phenylindazole
Molecule 6 [C1CC2CC(=O)CC(C1)(C2)O]: 2.00

2+1+2+3+3+2=13


Question:
Which sequence correctly orders these molecules by increasing lipophilicity (logP)?
1. C1=C(C=C(C(=C1[N+](=O)[O-])/C=C/C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
2. CC1=C2C(=NC=C1)C(=O)C3=NC=CC(=C3C2=O)C
3. C[C@@H](CC(=O)O)Br
4. CC1=C(C(=CC=C1)N)N
5. 20-methyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
6. C(CCCl)CS(F)(F)(F)(F)F

Molecule 4 < Molecule 3 < Molecule 5 < Molecule 6 < Molecule 1 < Molecule 2

Molecule 4 < Molecule 3 < Molecule 5 < Molecule 2 < Molecule 1 < Molecule 6

Molecule 2 < Molecule 6 < Molecule 3 < Molecule 1 < Molecule 4 < Molecule 5

Molecule 2 < Molecule 3 < Molecule 5 < Molecule 1 < Molecule 4 < Molecule 6

Answer: B

Explanation:
Calculated lipophilicity (logP) values:
Molecule 1 [C1=C(C=C(C(=C1[N+](=O)[O-])/C=C/C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]]: 3.31
Molecule 2 [CC1=C2C(=NC=C1)C(=O)C3=NC=CC(=C3C2=O)C]: 1.87
Molecule 3 [C[C@@H](CC(=O)O)Br]: 1.24
Molecule 4 [CC1=C(C(=CC=C1)N)N]: 1.16
Molecule 5 [CC1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2]: 1.83
    Name: 20-methyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
Molecule 6 [C(CCCl)CS(F)(F)(F)(F)F]: 4.30

Correct order (increasing lipophilicity (logP)):
Molecule 4 [CC1=C(C(=CC=C1)N)N] (1.16) < Molecule 3 [C[C@@H](CC(=O)O)Br] (1.24) < Molecule 5 [CC1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2] (1.83) < Molecule 2 [CC1=C2C(=NC=C1)C(=O)C3=NC=CC(=C3C2=O)C] (1.87) < Molecule 1 [C1=C(C=C(C(=C1[N+](=O)[O-])/C=C/C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]] (3.31) < Molecule 6 [C(CCCl)CS(F)(F)(F)(F)F] (4.30)


Question:
Based on topological polar surface area, which arrangement represents these molecules in ascending order?
1. C1CC2=C(C1)CC(C2)C3=CC=CC=C3
2. CC(=C=CC(C)(C)/C=N/O)C
3. CC1=CC[C@@H](C[C@H]1OC=O)C(=C)C

Answer: D

Explanation:
Calculated topological polar surface area values:
Molecule 1 [C1CC2=C(C1)CC(C2)C3=CC=CC=C3]: 0.00
Molecule 2 [CC(=C=CC(C)(C)/C=N/O)C]: 32.59
Molecule 3 [CC1=CC[C@@H](C[C@H]1OC=O)C(=C)C]: 26.30

Correct order (increasing topological polar surface area):
Molecule 1 [C1CC2=C(C1)CC(C2)C3=CC=CC=C3] (0.00) < Molecule 3 [CC1=CC[C@@H](C[C@H]1OC=O)C(=C)C] (26.30) < Molecule 2 [CC(=C=CC(C)(C)/C=N/O)C] (32.59)


Question:
Based on molecular weight, which arrangement represents these molecules in descending order?
1. C1=CC=C2C(=C1)C(=O)N(N=N2)O
2. piperidine-1-carbaldehyde
3. B(OCCC)(F)F
4. ethyl 2,5-dichlorobenzoate
5. CC(C)(C)OC(=O)C1=CC2=CC3=C(C=C2O1)NC4=CC=CC=C43

Molecule 3 > Molecule 2 > Molecule 4 > Molecule 1 > Molecule 5

Molecule 3 > Molecule 1 > Molecule 5 > Molecule 2 > Molecule 4

Molecule 5 > Molecule 4 > Molecule 1 > Molecule 2 > Molecule 3

Molecule 5 > Molecule 1 > Molecule 4 > Molecule 2 > Molecule 3

Answer: C

Explanation:
Calculated molecular weight values:
Molecule 1 [C1=CC=C2C(=C1)C(=O)N(N=N2)O]: 163.04
Molecule 2 [C1CCN(CC1)C=O]: 113.08
    Name: piperidine-1-carbaldehyde
Molecule 3 [B(OCCC)(F)F]: 108.06
Molecule 4 [CCOC(=O)C1=C(C=CC(=C1)Cl)Cl]: 217.99
    Name: ethyl 2,5-dichlorobenzoate
Molecule 5 [CC(C)(C)OC(=O)C1=CC2=CC3=C(C=C2O1)NC4=CC=CC=C43]: 307.12

Correct order (decreasing molecular weight):
Molecule 5 [CC(C)(C)OC(=O)C1=CC2=CC3=C(C=C2O1)NC4=CC=CC=C43] (307.12) > Molecule 4 [CCOC(=O)C1=C(C=CC(=C1)Cl)Cl] (217.99) > Molecule 1 [C1=CC=C2C(=C1)C(=O)N(N=N2)O] (163.04) > Molecule 2 [C1CCN(CC1)C=O] (113.08) > Molecule 3 [B(OCCC)(F)F] (108.06)

Difficulty: Medium
Reason: Base difficulty for MW: Medium.


Question:
Which structure shows the greatest similarity to the reference molecule?
Reference molecule: decamethonium
Reference SMILES: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
1. CC(=O)OC1CC[C@H]2[C@@]1([C@H]2C(=O)CO)CCCCCCC(=O)O
2. trimethyl-[5-(trimethylazaniumyl)pentyl]azanium
3. B(C(C)(C)C(C)C)(Cl)Cl
4. C[C@@H]1CCC[C@H]2N1C[C@@H]3C[C@H]2CN4[C@H]3CCCC4

Answer: A

Explanation:
Calculated Tanimoto similarities (ECFP4 fingerprint):
Molecule 1 (CC(=O)OC1CC[C@H]2[C@@]1([C@H]2C(=O)CO)CCCCCCC(=O)O): 0.083
Molecule 2 (trimethyl-[5-(trimethylazaniumyl)pentyl]azanium): 1.000
    SMILES: C[N+](C)(C)CCCCC[N+](C)(C)C
Molecule 3 (B(C(C)(C)C(C)C)(Cl)Cl): 0.042
Molecule 4 (C[C@@H]1CCC[C@H]2N1C[C@@H]3C[C@H]2CN4[C@H]3CCCC4): 0.025

Molecule 2 has the highest similarity (1.000)


Question: 5-fluorocyclopenta-1,3-diene is reacted with maleic anhydride. What is the major product?

Answer: D

Explanation:
(3aR,4R,7S,7aS,8r)-8-fluoro-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione is the correct product, since the dienophile is in the endo configuration, which is the typically favored configuration due to enhanced orbital overlap.
Additionally, this product has the fluorine atom on the same side of the molecule as the anhydride group. the reason this product is favored is that in the transition state, a sigma bond on the sp3 carbon of the diene will donate electron density into the diene's pi system via hyperconjugation. the bond that will donate is the one on the opposite side of the incoming dienophile. Since the C-H bond is much more electron rich than the C-F bond, the configuration where the C-H bond is opposite the dienophile is favored.


Question:
You are synthesizing a dialkylphosphate from two different enantiopure chiral alcohols and POCl3. In the first step, you reacted one equiv. of the first chiral alcohol with one equiv. of POCl3 (and some base). In the second step, you treated the product of this reaction with one equiv. of the second chiral alcohol (and some more base). In the final step, you add water to generate the final product. You are following the progress of the final reaction using 31P NMR.

What do you expect to see in the proton-decoupled 31P NMR spectrum over the course of the reaction?

A single peak changing to another single peak

Answer: C

Explanation: In the final step, a dialkyl chlorophosphate is being converted to a dialkylphosphate. The dialkyl chlorophosphate is P-chiral and exists as a mixture of 2 diastereomers; this gives rise to 2 31P NMR peaks. When the Cl atom is replaced with O, the P centre is no longer chiral, and a single 31P NMR peak is seen (a single diastereomer).


Question:
Identify the lattice system of the provided X-ray diffraction pattern. In the provided diffraction patterns, Column A denotes the 2-thera from diffraction and Column B denotes the normalized diffraction intensity. A high intensity suggests a peak. Identify lattice system in the provided pattern:
Column A,Column B
27.44216144,8.070251436
31.79173786,100
45.57802268,65.57241371
54.02629901,1.943354138
56.63943448,21.19642944
66.42965514,9.305444908
73.30055798,0.910407014
75.53175676,24.72314462
84.27165344,18.23156184
90.72833285,0.825976598

Answer: B

Explanation: This question test AI's ability to identify key features in X-ray diffraction patterns. Identifying the lattice system does not require extensive modeling and calculation, but it cannot be quickly determined by naked eyes.


Question:
Identify the lattice system of the provided X-ray diffraction pattern. In the provided diffraction patterns, Column A denotes the 2-thera from diffraction and Column B denotes the normalized diffraction intensity. A high intensity suggests a peak. Identify lattice system in the provided pattern:
Column A,Column B
16.53142,0.08855
16.57173,0.04406
20.10622,42.02809
20.15542,20.90996
20.29682,24.85583
20.3465,12.36629
20.95397,0.00178
21.00529,0.00089
26.20206,39.95714
26.26665,19.87682
26.37553,74.59475
26.44057,37.10719
26.76423,100
26.83026,49.74463
26.84941,44.70879
26.91566,22.24029
28.6816,23.354
28.75255,11.61678
28.76154,19.12063
28.8327,9.51102
31.08695,19.17932
31.16415,9.53958
33.42002,0.75221
33.50335,0.3741
35.9349,1.17217
36.02491,0.58288
37.1019,8.72781
37.19504,4.34031
37.31653,0.44344
37.41026,0.22049
37.50623,1.11596
37.60047,0.55501
39.29418,7.68951
39.39327,3.82388
39.47748,3.51038
39.50768,5.24767
39.53619,0.15353
39.57707,1.74554
39.60736,2.60932
39.63595,0.07633
39.70409,0.61025
39.71844,1.55648
39.80431,0.30356
39.81869,0.77387
39.83852,5.34986
39.88416,0.80655
39.93911,2.66046
39.98487,0.401
40.86723,0.9818
40.97064,0.48832
41.268,8.47108
41.37252,4.21235
42.65288,11.48681
42.76125,5.71182
44.6317,3.83695
44.74563,1.90758
44.85,2.32916
44.96455,1.15801
45.9882,0.20397
46.09494,0.59673
46.106,0.10141
46.21304,0.29666
46.26213,0.33309
46.2875,0.71843
46.36838,3.12441
46.38071,0.16558
46.40615,0.35714
46.40649,1.49225
46.486,1.2376
46.48726,1.55338
46.52548,0.74189
46.60522,0.61528
49.60705,0.02421
49.68267,0.00031
49.73294,10.34763
49.73534,0.01204
49.81118,0.00016
49.86159,5.14414
50.03434,10.4951
50.16389,5.21744
50.78594,12.87975
50.90379,5.78355
50.91772,6.40282
51.03591,2.8751
51.09914,1.75511
51.15085,2.77141
51.23184,0.8726
51.28371,1.37773
52.40841,3.48949
52.54504,1.73466
52.69874,4.39194
52.83624,2.18325
53.91605,0.20788
54.05724,0.10334
54.29542,3.68018
54.43777,1.82936
55.14731,1.10397
55.29228,0.54876
55.33435,0.74511
55.39648,0.0987
55.4799,0.37038
55.50324,3.3556
55.54222,0.04907
55.64931,1.66799
55.67604,3.11381
55.71274,2.54478
55.74698,0.13471
55.82265,1.54782
55.85307,0.12145
55.85946,1.26492
55.8863,0.12117
55.89381,0.06696
56.00023,0.06038
56.03356,0.06023
56.68809,0.43104
56.83785,0.21424
57.71135,0.05878
57.86433,0.02921
58.06236,0.0453
58.21645,0.02252
58.36351,2.04754
58.47625,0.08741
58.51856,1.01779
58.55653,2.37804
58.63165,0.04345
58.71219,1.18217
58.7814,2.12469
58.93778,1.05617
59.38935,4.96613
59.54767,2.46862
59.56773,4.42044
59.72663,2.19745
60.79111,6.83384
60.83512,6.02326
60.95398,3.39707
60.99812,2.9942
61.80796,0.3735
61.85154,0.01207
61.97416,0.18568
62.01788,0.006
63.15923,0.67463
63.32991,0.33538
63.51105,0.20826
63.6829,0.10354
63.70306,1.9231
63.82122,2.11752
63.85296,1.62231
63.87556,0.95603
63.93948,0.27108
63.99412,1.05267
64.02596,0.80649
64.11277,0.13477
64.23749,0.81208
64.41179,0.40372
64.81523,0.00733
64.99149,0.00365
66.12064,0.03502
66.29543,0.18649
66.30137,0.01741
66.30619,0.03886
66.42219,0.90624
66.46402,1.70147
66.47677,0.09272
66.48757,0.01932
66.52694,0.00659
66.55767,6.37548
66.60397,0.45056
66.60972,0.78106
66.64594,0.84595
66.70908,0.00328
66.73991,3.16979
66.79215,0.38833
66.88238,2.74688
67.01896,1.59862
67.06575,1.36577
67.14409,0.82963
67.20282,0.79483
67.26099,4.27953
67.32838,0.4125
67.44126,8.26493
67.44569,2.12784
67.46311,0.38613
67.58972,1.18965
67.59382,1.33946
67.62659,4.10937
67.64852,0.192
67.71433,0.10133
67.75395,0.021
67.77558,0.59152
67.77969,0.66601
67.90062,0.05039
67.93956,2.71095
67.94038,0.01044
68.12664,1.34798
68.56421,3.30791
68.6243,6.21764
68.63415,3.91564
68.71663,1.36413
68.74801,0.06906
68.7535,1.6449
68.81163,10.6532
68.81381,3.09169
68.82369,1.94705
68.90646,0.67832
68.93796,0.03435
69.0018,5.29729
70.20707,0.19388
70.40226,0.09641
71.39766,0.00522
71.5972,0.0026
71.7014,0.11602
71.90205,0.0577
72.50784,0.00562
72.71149,0.0028
72.86999,1.00125
73.07499,0.49803
73.35219,2.58447
73.37132,2.14848
73.43236,0.73664
73.55901,1.28557
73.57821,1.06871
73.63949,0.36643
73.74864,1.99664
73.78683,2.46064
73.92791,0.00015
73.95696,0.99325
73.99529,1.22404
74.06779,0.18202
74.10663,1.36324
74.10765,0.5466
74.13691,0.00007
74.22824,1.0094
74.26736,3.02092
74.27732,0.09055
74.31631,0.67818
74.31734,0.27194
74.43838,0.50215
74.47765,1.50283
76.02614,2.69416
76.18796,3.90839
76.24323,1.34053
76.26355,5.43763
76.40569,1.9448
76.48157,2.70572
76.95287,0.36122
77.14997,1.45245
77.17361,0.17976
77.37148,0.7228
78.16133,0.98114
78.38689,0.48832
78.39673,0.00112
78.49738,1.28678
78.50109,1.81097
78.62325,0.00056
78.7243,0.64047
78.72802,0.90139
78.7325,0.3223
78.79497,1.0727
78.96038,0.16043
79.0231,0.53394
79.03229,1.6638
79.0494,0.95443
79.11922,2.1328
79.26138,0.82822
79.27857,0.4751
79.34867,1.06167
79.38183,0.08258
79.56067,1.2822
79.61235,0.04111
79.79193,0.6383
80.02907,1.20238
80.26226,0.59861
80.52795,0.85692
80.54743,0.00035
80.76322,0.42666
80.78277,0.00017
80.91054,0.00265
80.99939,2.02782
81.02724,1.82973
81.06408,0.07372
81.08264,0.05026
81.1474,0.00132
81.23663,1.00972
81.23808,1.98252
81.26459,0.91108
81.30159,0.03671
81.32023,0.02503
81.38602,0.93892
81.43568,0.05094
81.47632,0.98722
81.49072,0.31827
81.54987,0.10655
81.62488,0.46757
81.6579,2.47765
81.67475,0.02536
81.70423,4.30181
81.73003,0.15849
81.78943,0.05306
81.89792,1.23384
81.94444,2.14228
82.1117,1.45398
82.17281,2.11424
82.35365,0.72413
82.41502,1.05299
82.63649,0.51267
82.69305,1.44905
82.88069,0.25536
82.93749,0.72175
83.29341,0.98546
83.48677,0.92663
83.54045,0.49091
83.55011,0.26325
83.73466,0.46163
83.79827,0.13115
84.51309,0.26224
84.76549,0.13066
84.9803,1.51636
85.05742,0.3781
85.13027,0.03621
85.23477,0.75563
85.28328,0.25743
85.31224,0.18843
85.3411,0.89361
85.38542,0.01804
85.53911,0.12828
85.55996,0.01228
85.59674,0.0251
85.59719,0.44533
85.68828,0.27089
85.81704,0.00612
85.85398,0.01251
85.90491,0.01216
85.94594,0.13501
86.0222,0.18497
86.16355,0.00606
86.28137,0.09219
86.38144,0.07622
86.64225,0.03799
86.94701,0.83115
87.21041,0.41435
87.29319,1.0301
87.5582,0.51357
87.64143,0.02701
87.66639,0.0535
87.72406,2.53131
87.81357,0.92881
87.90806,0.01347
87.93313,0.02667
87.94813,0.00243
87.99107,1.26214
88.02587,0.14626
88.081,0.46313
88.21619,0.00121
88.29406,0.21484
88.2943,0.07294
88.38892,0.05582
88.40822,0.17209
88.54272,0.80185
88.56375,0.10714
88.57254,0.00111
88.65906,0.02784
88.67845,0.08582
88.81359,0.39989
88.84355,0.00056
88.9269,1.18258
89.19959,0.58984
89.62582,1.79424
89.90187,0.89507
90.31783,2.84272
90.59724,1.41834
90.70201,1.72472
90.98331,0.86062
91.23734,0.00156
91.35437,0.82136
91.46965,0.42629
91.50633,0.69961
91.52128,0.00078
91.63889,0.40992
91.75475,0.21276
91.79161,0.34917
91.84086,0.75803
91.91424,0.14725
92.0539,2.9627
92.12782,0.37836
92.14838,0.44121
92.20156,0.0735
92.20767,0.45901
92.34193,1.47889
92.34684,0.00084
92.43688,0.22024
92.49648,0.22915
92.51986,0.26459
92.63635,0.00042
92.81026,0.13209
93.01212,0.01118
93.0422,0.03632
93.0672,0.37809
93.19609,0.50293
93.24034,0.01029
93.30503,0.00558
93.33142,1.34922
93.33526,0.01814
93.36039,0.18878
93.41613,0.00032
93.48994,0.25113
93.53442,0.00514
93.62597,0.67376
93.71112,0.00016
94.74837,0.02692
94.84475,0.08035
95.05034,0.01345
95.14723,0.04014
95.22177,0.03974
95.2869,0.2109
95.35672,2.43693
95.52626,0.01986
95.59173,0.10538
95.61591,2.48362
95.63016,0.07213
95.66193,1.2176
95.67282,0.94906
95.78459,0.34824
95.80895,0.92954
95.89723,0.58127
95.92251,1.24101
95.93684,0.03604
95.97974,0.47424
95.98665,0.49899
96.0921,0.17402
96.1166,0.46452
96.12893,0.04975
96.1319,0.00333
96.20536,0.29047
96.24402,0.20167
96.29526,0.24937
96.3344,0.03466
96.43831,0.02487
96.44131,0.00167
96.55403,0.10079
96.64491,0.01733
96.75047,1.42561
97.05623,0.05908
97.06326,0.71262
97.31091,2.03525
97.37071,0.02954
97.46952,0.30415
97.52977,0.01258
97.62681,1.01754
97.64655,1.34053
97.6848,0.97287
97.78631,0.15207
97.84689,0.0063
97.96433,0.67025
98.00279,0.48645
98.00863,1.85244
98.11194,0.18007
98.16751,0.02712
98.32845,0.92635
98.43235,0.09005
98.48822,0.01356
98.82691,0.03789
99.1514,0.01896
99.44948,0.61888
99.77756,0.30962
100.05967,0.14225
100.14961,0.04572
100.39133,0.07118
100.47284,2.00347
100.48181,0.02289
100.58682,0.10649
100.80696,1.00268
100.92162,0.05329
100.97026,0.03011
101.29762,0.23629
101.30734,0.01508
101.63668,0.11829
101.84632,0.10705
101.8601,0.00234
101.965,0.33584
102.06319,0.03904
102.14087,0.16536
102.15468,0.10632
102.18873,0.0536
102.20259,0.00118
102.2489,0.40672
102.30813,0.16816
102.40693,0.01955
102.41022,0.49636
102.44751,0.03108
102.48043,0.76356
102.48509,0.0828
102.49899,0.05324
102.59378,0.20367
102.63213,0.80808
102.74481,0.39323
102.75451,0.1037
102.75611,0.24857
102.79363,0.01556
102.82675,0.38239
102.97939,0.40471
103.06981,0.00121
103.09277,0.19695
103.10254,0.05194
103.13691,0.05076
103.1941,0.45809
103.22336,0.73293
103.41982,0.00061
103.48734,0.02543
103.54489,0.22948
103.56566,0.00264
103.57434,0.36715
103.64112,1.56591
103.88202,1.54516
103.91881,0.00133
103.99474,0.78453
103.99575,0.2025
104.23342,0.41917
104.23719,0.77422
104.35164,0.10147
104.59085,0.21005
104.62805,0.70643
104.77925,2.91392
104.98804,0.35407
105.05754,0.188
105.10501,0.17488
105.14022,1.46048
105.42034,0.09424
105.46813,0.08766
105.52328,0.09429
105.88916,0.04728
105.96594,0.00557
105.99535,0.58383
106.12222,0.02984
106.30487,0.65009
106.33479,0.00279
106.3644,0.29274
106.49212,0.01496
106.67601,0.326
106.75682,0.25104
106.76672,0.20423
107.00996,0.00885
107.05795,0.89538
107.13103,0.12591
107.13229,0.01823
107.14101,0.10243
107.20098,0.14392
107.38592,0.00444
107.43424,0.44914
107.50909,0.00915
107.51931,0.51377
107.53473,0.24087
107.57825,0.0722
107.8988,0.25776
107.91432,0.12084
107.93685,0.00667
108.00706,0.28554
108.31927,0.00335
108.38997,0.14328
108.76874,1.77638
108.80932,0.0259
109.15708,0.89166
109.19795,0.01301
109.29679,0.776
109.43931,0.02248
109.68895,0.38958
109.71343,0.23722
109.75425,0.27248
109.83252,0.01129
110.10865,0.11912
110.14976,0.13682
110.26041,1.13497
110.58598,0.19741
110.6294,0.01134
110.65968,0.57003
110.84776,1.41083
110.9436,1.05746
110.95576,0.214
110.98769,0.09916
110.99164,0.19274
111.03144,0.0057
111.06528,0.15265
111.25144,0.70875
111.34801,0.53124
111.36027,0.10751
111.39641,0.09683
111.47062,0.07669
111.50694,0.39508
111.51882,0.39989
111.6275,0.0532
111.91566,0.19852
111.92763,0.20094
111.93413,0.64273
112.03715,0.02674
112.13296,0.13689
112.34617,0.32302
112.54655,0.0688
112.71478,1.3418
113.13297,0.67457
113.88686,0.16044
114.0727,0.11606
114.31452,0.0807
114.3254,1.99837
114.49381,0.47122
114.50188,0.05838
114.75668,1.00529
114.79152,0.21393
114.83609,0.01511
114.91854,0.00493
114.92649,0.23706
115.22119,2.02118
115.2267,0.10763
115.27164,0.0076
115.35478,0.00248
115.51115,0.05913
115.66,1.01715
115.73184,3.32959
115.79228,0.24374
115.9407,0.13965
115.95244,0.02976
116.17503,1.67594
116.236,0.12268
116.38571,0.0703
116.44013,0.50815
116.45037,0.17128
116.53621,0.61983
116.56891,1.52787
116.87069,0.13633
116.8895,0.25585
116.89125,0.00548
116.89983,0.08624
116.98644,0.31212
117.01942,0.76933
117.09994,0.3619
117.25449,0.18515
117.32389,0.06865
117.34444,0.00109
117.34463,0.00276
117.41031,0.01588
117.42748,0.49881
117.46555,0.019
117.55518,0.18227
117.59543,1.02715
117.62647,0.0181
117.71112,0.09326
117.80189,0.00055
117.80951,0.17915
117.8578,0.01509
117.86836,0.008
117.88568,0.25125
117.9241,0.00957
117.94483,0.03506
118.04865,0.16959
118.05516,0.51743
118.08648,0.00912
118.10718,0.17693
118.1407,0.17005
118.27119,0.09025
118.31993,0.0076
118.40776,0.01766
118.51254,0.08545
118.52238,2.15598
118.53152,0.12045
118.57161,0.08915
118.60544,0.08568
118.6428,0.91217
118.71594,2.04848
118.81605,0.29956
118.99067,1.08653
118.9999,0.0607
119.11223,0.45973
119.18606,1.03244
119.21584,0.89373
119.2871,0.15099
119.40053,0.46785
119.6907,0.45056
119.87716,0.23588
119.88286,0.85305
120.18087,1.73505
120.36417,0.43017
120.40332,0.2842
120.66509,0.87506
120.77301,0.13296
120.88975,0.14336
120.90627,0.07188
121.26312,0.06708
121.39772,0.03627
121.55093,0.00608
121.57244,0.02986
121.64113,0.00026
121.85123,0.18964
121.99818,0.77411
122.04143,0.24983
122.04894,0.00307
122.07067,0.01507
122.14007,0.00013
122.33516,0.02431
122.35234,0.09572
122.40471,1.50954
122.50082,0.39077
122.5431,0.00145
122.54339,0.55658
122.54452,0.12612
122.75577,0.16316
122.8212,0.0815
122.84133,0.01227
122.91162,0.76214
123.05147,0.00073
123.05177,0.28102
123.09164,0.18999
123.10465,0.38636
123.15731,0.15213
123.24883,0.00135
123.26641,0.08239
123.33254,0.04116
123.51955,0.00143
123.52466,0.04218
123.60588,0.09595
123.61903,0.19513
123.65672,0.14502
123.67227,0.07684
123.76478,0.00068
123.79647,0.02693
123.83271,0.81007
123.8712,0.35465
124.03845,0.00072
124.04362,0.02131
124.04424,0.75566
124.04783,0.01095
124.17712,0.07326
124.31842,0.01361
124.35506,0.40927
124.39397,0.17918
124.56894,0.38183
124.57257,0.00553
124.62933,0.84536
124.90993,0.24344
125.16062,0.4273
125.16805,0.23344
125.41748,0.04731
125.44442,0.12307
125.52733,0.07743
125.58264,0.06732
125.6035,0.5471
125.70551,0.11802
125.7318,0.14351
125.94649,0.00523
125.95785,0.02392
125.96878,0.01689
126.06898,0.03915
126.12494,0.03405
126.14605,0.27668
126.17685,0.36045
126.27586,0.07258
126.49309,0.00265
126.51564,0.00854
126.52486,0.21607
126.65423,0.77756
126.7262,0.18233
126.7334,0.1039
127.03389,0.01027
127.07841,0.10932
127.19917,0.00792
127.20935,0.39346
127.28949,0.05258
127.4891,0.47987
127.59368,0.0052
127.70258,1.33586
127.761,0.00401
127.94575,0.01028
128.05456,0.24293
128.27073,0.67634
128.517,0.00521
128.57676,0.17495
129.15616,0.08863

Answer: A


Question:
Identify the lattice system of the provided X-ray diffraction pattern. In the provided diffraction patterns, Column A denotes the 2-thera from diffraction and Column B denotes the normalized diffraction intensity. A high intensity suggests a peak. Identify lattice system in the provided pattern:
Column A,Column B
12.86107,97.65966
12.89235,48.60674
13.17425,0.56062
13.2063,0.27907
13.60093,74.29361
13.63403,36.97624
15.45583,0.49081
15.49349,0.2443
18.18191,9.16621
18.22632,4.5621
18.31727,20.05835
18.36201,9.98271
18.71656,100
18.7623,49.7674
19.19434,15.55118
19.24126,7.73884
19.4923,28.19643
19.53997,14.032
20.80231,89.30686
20.85326,44.44302
21.96063,42.44503
22.01448,21.12203
25.39962,5.81777
25.43434,4.03265
25.46217,2.89485
25.49698,2.00647
25.66136,2.74871
25.72457,1.36772
25.88782,14.24829
25.95161,7.08801
26.11592,8.8145
26.1803,4.38553
26.52678,24.81903
26.5922,12.35073
27.39834,19.16584
27.46599,9.53644
27.94416,26.84308
28.01322,13.35712
28.45202,32.09021
28.52238,15.96879
28.77346,10.67944
28.80256,86.80554
28.84465,5.31394
28.87383,43.1892
29.23881,23.03072
29.24054,0.52436
29.3112,11.46103
29.31294,0.26073
29.38272,2.95292
29.45549,1.46923
29.49729,39.06322
29.57035,19.43662
29.81177,5.74635
29.88565,2.85827
29.92423,2.97671
29.92429,4.66339
29.95481,0.71318
29.9984,1.48088
29.99847,2.31952
30.02906,0.35472
30.92737,20.98083
31.00416,10.44067
31.17261,8.80564
31.20216,65.27039
31.25003,4.38107
31.27966,32.4717
33.05658,0.07831
33.13894,0.039
33.87169,10.75605
33.95621,5.35053
33.99765,8.03713
34.0825,3.99811
34.39905,14.39624
34.39985,33.83144
34.48497,7.16193
34.48576,16.83007
34.67601,19.76548
34.76266,9.83248
35.5551,2.46354
35.64409,1.22557
35.86958,12.61533
35.95942,6.27623
36.32281,0.16294
36.41386,0.08104
36.4179,8.53708
36.50921,4.24662
36.53695,47.11202
36.62858,23.435
36.84291,5.62267
36.93536,2.79665
37.12476,10.19217
37.19504,0.07827
37.21796,5.07014
37.28843,0.03891
37.63652,7.1369
37.73111,3.55047
37.84413,14.48217
37.93928,7.20431
37.95722,2.41133
38.05268,1.19935
38.30161,12.04946
38.398,5.99395
38.95541,5.60566
39.05358,2.78835
39.11432,0.33046
39.21293,0.16443
39.26618,9.40314
39.3652,4.67722
39.51248,0.05987
39.57913,0.51658
39.61218,0.02977
39.67901,0.25686
40.25883,4.83215
40.36057,2.40354
40.52284,4.42717
40.56569,3.70905
40.62531,2.20178
40.66828,1.84493
40.73772,13.98303
40.84078,6.95529
41.10082,4.31135
41.20487,2.14454
41.20782,17.46027
41.27729,26.00005
41.31218,8.6843
41.38183,12.93177
41.42152,4.29651
41.52647,2.13712
41.61583,7.16781
41.72132,3.56524
41.89145,2.87953
41.97251,0.96812
41.9977,1.43225
42.05731,0.02994
42.07898,0.48145
42.10289,1.86186
42.16402,0.01488
42.20973,0.92602
42.33283,4.35826
42.37171,15.22136
42.44031,2.16734
42.47929,7.57039
42.54264,5.72496
42.6507,2.8474
42.80961,17.56929
42.91841,8.73847
42.97456,0.03305
43.0362,8.17846
43.08383,0.01647
43.12114,1.71782
43.14564,4.06758
43.20121,21.81194
43.23082,0.85437
43.31111,10.84784
43.4281,0.19258
43.47221,1.82554
43.53864,0.0958
43.58288,0.90794
44.1207,1.20616
44.23319,0.59991
44.26638,0.91027
44.34497,7.06673
44.37928,0.45278
44.45809,3.51474
44.78427,1.13666
44.89863,0.56511
45.20209,0.50013
45.31765,0.24875
45.32258,0.00523
45.43848,0.0026
45.67707,0.02863
45.79397,0.01424
46.08948,2.99697
46.11142,8.07685
46.20757,1.49051
46.22956,4.01689
46.26574,2.41263
46.38433,1.19955
46.63483,0.4334
46.75448,0.21559
46.94438,15.69683
47.06492,7.80595
47.11748,6.3348
47.23852,3.15048
47.27341,25.92082
47.32812,2.10306
47.3949,12.88989
47.40525,13.15926
47.44977,1.04565
47.50295,0.1067
47.52712,6.54471
47.58268,0.04197
47.6251,0.05306
47.70506,0.02086
47.79012,1.01365
47.80602,4.18224
47.91311,0.50409
47.92905,2.07988
48.18686,0.00258
48.311,0.00128
48.54504,1.20122
48.60467,0.15638
48.62001,6.65902
48.67022,0.59737
48.69399,6.0512
48.73002,0.07773
48.7454,3.31203
48.8196,3.00961
48.86614,10.44936
48.89974,5.73954
48.99225,5.19671
49.02595,2.85425
49.16186,0.73283
49.19843,0.00024
49.21793,11.53423
49.23759,8.21909
49.28885,0.36445
49.32552,0.00012
49.34508,5.73581
49.36479,4.08736
49.64494,2.812
49.6634,0.75825
49.77334,1.39849
49.79185,0.3769
50.12651,8.21848
50.25633,4.08687
50.385,15.89107
50.51558,7.90202
50.52736,1.72837
50.65837,0.85949
50.76523,0.01169
50.89694,0.00581
50.91265,0.79895
51.0448,0.39719
51.41681,1.47786
51.55046,0.73471
52.16769,16.08934
52.24313,3.52284
52.30359,8.00041
52.37926,1.75195
52.4347,0.23159
52.57141,0.11511
52.63214,4.27263
52.70075,0.02892
52.70394,0.04232
52.73682,20.63822
52.76944,2.12462
52.83825,0.01438
52.84146,0.02103
52.87443,10.26195
52.91311,0.02922
53.05126,0.01454
53.23012,17.15297
53.26943,2.31068
53.28742,9.6605
53.28846,14.89808
53.36923,8.5291
53.40866,1.1491
53.4267,4.80364
53.42775,7.40774
53.72787,0.09041
53.82909,1.55073
53.86849,0.04495
53.91443,9.98759
53.97002,0.77115
54.05562,4.96653
54.22749,3.31728
54.2616,0.69843
54.26624,8.0198
54.36964,1.64964
54.40385,0.3473
54.4085,3.98769
54.52106,0.17255
54.59652,0.03476
54.62659,0.1176
54.66411,0.08582
54.67665,0.5514
54.67675,0.80038
54.6783,0.00009
54.7398,0.01729
54.76995,0.05845
54.78256,0.09349
54.8025,0.08215
54.81554,0.26074
54.82017,0.2741
54.82027,0.39802
54.82183,0.00005
54.92641,0.04649
54.94641,0.04086
54.95949,0.12963
55.50197,0.08603
55.64804,0.04276
55.77699,1.68736
55.84879,0.10508
55.89468,5.96736
55.92391,0.83906
55.96345,10.45427
55.99594,0.05223
56.04196,2.96718
56.11095,5.19817
56.16883,0.16255
56.31697,0.08084
56.32087,1.36317
56.37625,3.22407
56.46949,0.67786
56.52503,1.60333
56.54273,0.55968
56.58937,6.18225
56.59516,9.2119
56.69204,0.27824
56.73882,3.07452
56.74463,4.58053
56.77629,0.90755
56.85986,1.34405
56.92633,0.45123
56.98297,3.61031
57.01015,0.66834
57.0452,1.84301
57.09655,0.2335
57.13366,1.79528
57.19536,7.6666
57.19608,0.91643
57.24759,0.11612
57.31397,10.08196
57.34672,3.81246
57.46569,5.01311
57.5834,2.55557
57.73597,1.27078
57.7497,0.02281
57.78113,0.17055
57.78553,7.52318
57.80391,0.35514
57.9028,0.01135
57.93433,0.08482
57.93874,3.74113
57.95718,0.17659
57.99581,10.35976
58.14968,5.15115
58.39515,1.04723
58.43104,2.35604
58.44366,0.01856
58.52638,0.904
58.52666,1.97303
58.53319,2.10766
58.5503,0.52072
58.5863,1.17159
58.59896,0.00923
58.66252,1.05326
58.68195,0.44949
58.68223,0.98102
58.68877,1.04829
58.81852,0.52358
58.85664,1.71012
58.87776,4.18677
58.91001,1.55489
58.92253,2.08735
59.01326,0.85036
59.03445,2.08194
59.0668,0.7732
59.07936,1.03798
59.16967,2.20034
59.32729,1.09423
59.56459,16.34673
59.56823,0.45769
59.58189,0.00757
59.59434,1.54988
59.65932,4.22833
59.72348,8.12799
59.72713,0.22752
59.74084,0.00376
59.75332,0.7707
59.75903,1.86601
59.81851,2.10276
59.91855,0.92796
60.02118,0.20372
60.18154,0.10128
60.34793,5.4939
60.4319,0.43197
60.50936,2.73183
60.59359,0.21487
60.63537,5.28968
60.63926,0.72802
60.667,3.73981
60.79773,2.63027
60.80163,0.36206
60.82945,1.85966
60.95822,7.63728
61.04143,4.5822
61.12163,3.79779
61.20511,2.27853
61.21554,1.31549
61.313,1.25359
61.37979,0.6542
61.44047,0.00669
61.44059,0.66738
61.47757,0.62331
61.60546,0.00333
61.60557,0.33187
61.6539,0.8668
61.81959,0.43097
61.89317,0.68816
61.90636,0.05146
61.92329,8.57254
62.05965,0.34221
62.07287,0.02559
62.08987,4.26298
62.17688,1.17599
62.17703,2.53774
62.2459,0.72791
62.34429,0.58483
62.34444,1.26194
62.41354,0.36202
62.54731,0.55138
62.57306,0.68227
62.70085,1.49048
62.71595,0.2742
62.74178,0.33927
62.84317,0.03954
62.87,0.74133
63.01279,0.01964
63.11469,3.37585
63.28522,1.67906
63.286,2.75617
63.33293,3.30415
63.4571,1.37092
63.50419,1.64333
63.74215,0.00338
63.78982,0.01783
63.8679,0.00002
63.91478,0.00168
63.96261,0.00886
64.04095,0.00001
64.05557,6.35942
64.18377,1.24814
64.22926,3.16245
64.35789,0.62062
64.45132,8.8177
64.47793,2.40967
64.62634,4.38492
64.65304,1.19842
64.72762,0.37081
64.90359,0.18437
64.91604,0.27178
64.96333,4.25717
64.97804,0.09401
65.01081,4.20917
65.07834,0.82965
65.09264,0.13517
65.14009,2.11722
65.15486,0.04676
65.18774,2.09323
65.22788,0.21904
65.24422,2.23328
65.25549,0.41261
65.29409,1.37175
65.40555,0.10893
65.42194,1.11081
65.4273,1.17192
65.47198,0.68222
65.58757,0.00161
65.60565,0.58287
65.66686,0.73426
65.67952,0.10646
65.76647,0.0008
65.79918,2.28118
65.79962,1.74814
65.84603,0.36518
65.85874,0.05295
65.97881,1.13458
65.97925,0.86939
66.0486,0.11638
66.11008,8.48981
66.15738,5.39757
66.17639,0.02282
66.22908,0.05791
66.29078,4.22228
66.33824,2.68447
66.35732,0.01135
66.48074,0.20254
66.66193,0.97794
66.66272,0.10077
66.84454,0.48624
66.95387,2.76291
67.06186,3.07347
67.1375,1.37422
67.24586,1.52862
67.38042,0.80123
67.56554,0.39854
67.63278,1.31326
67.70014,1.27414
67.81878,0.65319
67.88638,0.63376
67.9294,0.24668
67.93669,1.9667
68.00979,1.15417
68.11057,0.45707
68.11388,1.93655
68.11645,0.12271
68.12377,0.97827
68.19712,0.57411
68.23286,0.23059
68.23318,1.58506
68.28131,0.43441
68.29826,0.22736
68.30158,0.96326
68.37123,0.73807
68.42098,0.11466
68.4213,0.78844
68.4696,0.2161
68.54309,0.05546
68.55984,0.36704
68.67863,1.92122
68.73231,0.02759
68.73919,1.68757
68.85539,5.99877
68.86833,0.95565
68.92911,0.83953
68.96309,0.04329
69.04572,2.9839
69.07911,0.0025
69.1244,1.37551
69.1538,0.02153
69.20285,1.2011
69.26527,0.42318
69.27024,0.00124
69.27514,0.19235
69.31569,0.68431
69.3579,0.00109
69.37239,4.79444
69.37243,0.52603
69.39443,0.59748
69.45706,0.21052
69.46697,0.09571
69.52169,0.15469
69.55003,0.00054
69.56457,2.38494
69.56461,0.26158
69.69794,0.58096
69.7144,0.0769
69.8782,0.44735
69.89129,0.28898
69.99905,2.6438
70.0722,0.22254
70.17702,1.58954
70.18077,0.00003
70.19348,1.31521
70.24254,1.96215
70.36056,0.87647
70.3721,0.79084
70.37587,0.00002
70.40323,1.72997
70.41009,4.63372
70.42004,0.16201
70.42589,0.63058
70.43785,0.97608
70.55631,0.43607
70.5813,0.22565
70.59913,0.86062
70.60602,2.30529
70.616,0.08057
70.62188,0.31364
70.77785,0.11223
70.88627,0.32677
70.93304,2.58655
71.0444,0.29418
71.05078,0.26667
71.07495,0.00239
71.0757,0.41093
71.08394,0.16261
71.13088,1.28695
71.17002,2.88999
71.24264,0.14633
71.24904,0.13264
71.25581,1.16418
71.26745,0.10304
71.2733,0.00119
71.27405,0.20439
71.29725,0.1629
71.31421,0.21208
71.36873,1.43802
71.40184,1.36974
71.45483,0.57921
71.46651,0.05124
71.49018,0.72828
71.49642,0.08106
71.51344,0.1055
71.52051,3.20891
71.5374,2.20884
71.56418,0.15059
71.6014,0.68145
71.66857,1.57482
71.69006,0.36236
71.7205,1.59669
71.73745,1.0991
71.76433,0.07491
71.86911,0.78354
71.96694,0.71481
72.01401,8.14829
72.16858,0.35565
72.19386,0.46673
72.21582,4.0539
72.23102,0.84392
72.36424,1.16942
72.37931,2.3291
72.39635,0.23223
72.43364,0.4199
72.51288,0.23371
72.51476,0.63514
72.56736,0.58187
72.58248,1.15911
72.60668,0.0087
72.71655,0.11623
72.71844,0.31601
72.71962,0.55642
72.78265,0.29112
72.8107,0.00433
72.82235,1.47548
72.83769,1.54935
72.89765,0.58044
72.92406,0.27682
72.95013,0.6185
72.98733,0.14486
73.02717,0.73417
73.03451,1.13271
73.04258,0.771
73.09342,0.06877
73.10276,0.28882
73.15543,0.30771
73.17021,0.79948
73.20601,0.24709
73.24014,0.5636
73.29926,0.03422
73.32309,0.85017
73.32865,0.07931
73.37258,0.06151
73.37635,0.39782
73.41228,0.12296
73.42591,0.00082
73.44449,0.00113
73.5298,0.42306
73.53538,0.03947
73.57948,0.03061
73.60202,2.74751
73.60465,3.65652
73.63301,0.00041
73.65166,0.00056
73.78544,2.3274
73.80979,1.36736
73.81243,1.8197
73.9939,1.15843
74.2628,1.77867
74.42604,0.34739
74.44607,2.01224
74.47308,0.88527
74.48229,0.1734
74.63694,0.17284
74.65705,1.00153
74.67986,0.77104
74.69341,0.08629
74.77446,1.29604
74.8387,2.79903
74.89173,0.38377
74.9867,0.64511
75.05118,1.39305
75.08997,1.62794
75.14037,0.24577
75.18367,0.33722
75.27222,3.41198
75.30343,0.81021
75.35402,0.1223
75.3581,0.17142
75.37292,3.55024
75.39748,0.16783
75.43241,1.7861
75.48637,1.69825
75.55556,0.46437
75.57259,0.08534
75.58747,1.76691
75.59204,0.36447
75.64718,0.88912
75.77081,0.23112
75.80744,0.18135
75.83201,0.6834
75.94562,1.86471
75.99844,0.28922
76.00816,4.43251
76.01425,0.11096
76.01483,7.29009
76.03014,0.0195
76.04834,0.34015
76.07134,0.62238
76.16239,0.92824
76.18843,0.25948
76.21542,0.14391
76.22518,2.20639
76.2313,0.05523
76.23188,3.62847
76.24725,0.00971
76.28861,0.3098
76.34732,1.40211
76.3679,0.45437
76.40616,0.12915
76.41384,0.66883
76.54195,0.77021
76.56567,0.69808
76.58633,0.2262
76.63245,0.33293
76.76107,0.38337
76.88413,0.66949
76.94548,0.12434
77.10355,1.39737
77.10459,0.33329
77.1144,0.34318
77.11659,0.9981
77.12821,2.00445
77.16618,0.06191
77.32488,0.69568
77.33578,0.17085
77.33798,0.49699
77.34964,0.99805
77.35948,1.64888
77.57517,3.77076
77.58183,0.82096
77.58518,0.53787
77.64945,1.8546
77.79838,1.87724
77.80843,0.26779
77.87296,0.92339
77.95232,0.18124
78.13743,0.18651
78.17704,0.09026
78.29695,2.91762
78.3629,0.09287
78.38595,0.2373
78.39241,1.7958
78.39695,0.1136
78.42539,2.29534
78.52306,1.4528
78.5516,1.5062
78.61242,0.11815
78.61891,0.89432
78.62347,0.05658
78.64122,0.45066
78.65202,1.14289
78.65905,1.27986
78.71915,3.09615
78.77874,0.75001
78.86872,0.22441
78.87195,0.25157
78.87232,0.02027
78.88663,0.6373
78.94697,1.54173
78.96518,1.87734
79.08848,0.03674
79.10039,0.12526
79.10076,0.01009
79.11804,0.29982
79.11814,0.48542
79.13387,0.80214
79.194,0.93478
79.26136,1.51725
79.3178,0.01829
79.34748,0.1493
79.34759,0.24164
79.36338,0.39946
79.49139,0.75566
79.53568,2.1847
79.56474,1.99281
79.5892,0.00303
79.64648,1.42339
79.67935,0.20609
79.75509,0.04436
79.76684,1.08801
79.79601,0.99262
79.82057,0.00151
79.86186,0.08678
79.87809,0.70888
79.9111,0.10264
79.98125,2.42259
79.98714,0.02209
80.09436,0.04322
80.21424,1.20657
80.35155,0.36382
80.36541,0.25529
80.58608,0.18121
80.59999,0.12715
80.82543,0.0404
80.86676,0.02703
80.90352,0.40898
80.94714,1.13939
81.06194,0.02012
81.10343,0.01347
81.14035,0.20365
81.1481,0.31623
81.18416,0.56759
81.30888,1.32818
81.38596,0.15753
81.39256,1.90954
81.40339,0.89198
81.42289,1.4523
81.4691,1.20525
81.52228,1.23088
81.54742,0.66163
81.62175,0.05896
81.63145,0.95129
81.64233,0.44438
81.66191,0.7235
81.70832,0.60043
81.76172,0.61319
81.81626,1.74378
81.86161,0.02938
82.00793,0.05263
82.04418,4.80461
82.04486,2.02438
82.05694,0.86883
82.24944,0.02623
82.28584,2.39372
82.28652,1.00857
82.31805,0.39974
82.38597,0.6529
82.52791,2.27419
82.56088,0.19914
82.62909,0.32534
82.64328,2.73454
82.66317,0.0003
82.77164,1.13309
82.88751,1.36254
82.90748,0.00015
82.96362,0.25913
83.11327,0.39755
83.11583,1.28306
83.17386,2.95191
83.20923,0.12913
83.35953,0.19806
83.3621,0.63941
83.42038,1.47103
83.45184,0.07498
83.4655,1.37739
83.52254,2.0229
83.55073,0.76825
83.65344,0.97205
83.68135,0.82101
83.69957,0.03737
83.71329,0.68644
83.77058,1.00813
83.79151,3.42269
83.79889,0.38287
83.8919,0.05064
83.90205,0.48436
83.93008,0.40917
83.97212,0.0626
84.00693,0.73602
84.02635,0.14387
84.04072,1.70571
84.05608,0.17134
84.09206,1.10859
84.14156,0.02524
84.22213,0.03119
84.25709,0.36685
84.27659,0.07168
84.30646,0.08541
84.3426,0.5525
84.3577,1.04528
84.41821,1.32682
84.44186,0.21714
84.46415,4.90482
84.48039,0.70034
84.48669,0.63495
84.49663,0.33853
84.52874,0.00003
84.60038,0.13728
84.6094,0.5211
84.67019,0.66151
84.69077,0.09091
84.69394,0.10822
84.69687,0.06651
84.69759,0.01336
84.71633,2.44475
84.73264,0.34912
84.73897,0.31652
84.74895,0.16868
84.78121,0.00001
84.80737,0.22149
84.81033,0.0015
84.81714,0.9739
84.85316,0.06843
84.94395,0.0453
84.95008,0.03316
84.95081,0.00666
85.04503,0.00857
85.05463,0.01446
85.06108,0.11044
85.06404,0.00075
85.0697,0.03697
85.07088,0.48549
85.15065,0.5376
85.16325,0.02072
85.1655,1.58823
85.2057,1.75039
85.20927,1.18884
85.22774,0.18553
85.24005,0.64815
85.29979,0.00428
85.30944,0.00721
85.32046,0.01236
85.32457,0.01843
85.34548,2.03869
85.40588,0.26802
85.41854,0.01033
85.4208,0.7919
85.44613,4.58775
85.46118,0.87268
85.46477,0.59276
85.48332,0.09248
85.49569,0.32316
85.57646,0.00616
85.60159,1.0163
85.61811,0.21508
85.6841,0.03323
85.70269,2.28713
85.73743,0.09545
85.795,0.42767
85.82883,2.99935
85.83308,0.0496
85.87545,0.1072
85.94173,0.01657
85.9498,1.20253
85.99531,0.04759
86.04048,0.00251
86.05314,0.21328
86.08712,1.49541
86.09139,0.02475
86.20864,0.59964
86.24011,5.07934
86.29973,0.00125
86.30299,0.08876
86.37895,0.19916
86.39419,0.67809
86.46386,0.89791
86.50027,2.53269
86.51721,0.09045
86.56344,0.04423
86.56954,2.51035
86.57964,0.08589
86.58216,0.03459
86.61549,1.38286
86.63975,0.09932
86.65506,0.33816
86.72505,0.44781
86.77864,0.04511
86.79176,1.76622
86.83121,1.2519
86.84135,0.04282
86.84389,0.01725
86.87737,0.68972
86.90181,0.00561
86.90443,1.15253
86.98878,0.46418
87.05445,0.88092
87.06922,2.07327
87.16501,0.0028
87.16763,0.57493
87.25238,0.23152
87.25512,0.90748
87.33319,1.03397
87.50853,0.34402
87.51995,0.45264
87.53794,3.55365
87.67385,0.36197
87.74948,1.38868
87.77453,0.17154
87.78535,0.95536
87.80408,1.77246
87.8049,0.49877
87.87573,0.75147
87.88733,0.0142
87.91951,0.09265
87.92378,0.0102
87.94063,0.18056
87.97905,0.31386
87.99825,5.15156
88.01661,0.69271
88.0399,0.02758
88.05265,0.47664
88.07229,0.2488
88.10019,0.91367
88.14226,0.02528
88.14345,0.37487
88.1551,0.00708
88.16647,0.45942
88.18744,0.04622
88.19173,0.00508
88.2339,0.04834
88.24725,0.15658
88.26655,2.56971
88.26921,0.54165
88.30839,0.01376
88.36897,0.45585
88.37131,0.01122
88.41123,0.01261
88.43556,0.22927
88.44107,1.92827
88.50331,0.02412
88.53878,0.27015
88.55243,2.25699
88.64136,0.00559
88.71146,0.962
88.82334,1.12607
88.83448,0.20546
88.83804,0.62045
88.90049,1.01368
88.9351,0.0173
88.94625,2.81278
89.00648,1.60603
89.0072,0.35648
89.10673,0.10251
89.11031,0.3096
89.17306,0.50571
89.18545,1.00526
89.20783,0.00863
89.21904,1.40343
89.27955,0.80144
89.28028,0.17789
89.31334,0.02401
89.33079,0.51628
89.38401,0.31593
89.38782,1.28379
89.42771,0.01099
89.45938,0.50163
89.46714,0.13389
89.58788,0.01199
89.60542,0.25763
89.62436,1.03742
89.65033,0.88577
89.65889,0.15762
89.66272,0.64073
89.68713,0.2616
89.70281,0.00549
89.72246,0.95275
89.74243,0.06681
89.9004,0.51772
89.90332,0.31536
89.9265,0.44205
89.96348,0.13053
89.96757,0.04415
89.99898,0.47543
90.03148,0.10509
90.18071,0.15738
90.18349,0.25255
90.23239,0.17767
90.24527,0.02203
90.294,3.52393
90.3095,0.05245
90.46225,0.12606
90.51139,0.08868
90.5467,0.41159
90.5733,1.75883
90.66912,0.00946
90.67154,2.69773
90.82723,0.20546
90.86525,0.81792
90.90818,1.99335
90.95025,0.00472
90.95269,1.34671
91.00537,3.86239
91.07435,3.57921
91.13815,3.09666
91.14735,0.40832
91.15538,0.02144
91.19049,0.99513
91.28097,0.97747
91.28816,1.92817
91.30414,0.00069
91.31779,1.29049
91.35749,1.78686
91.4216,1.54599
91.43891,0.0107
91.47333,0.39868
91.4977,0.0016
91.52707,0.94397
91.56513,0.48803
91.58841,0.00034
91.60213,0.64446
91.70944,3.3209
91.72483,1.17146
91.75845,0.19906
91.78294,0.0008
91.81246,0.47136
91.84708,0.76181
91.86533,1.12044
91.99574,1.65811
92.01121,0.58501
92.05112,2.35078
92.13407,0.38041
92.15241,0.55956
92.21419,0.45918
92.22224,0.37041
92.27274,0.07964
92.33914,1.17399
92.44239,0.32697
92.46555,0.02801
92.50059,0.80357
92.50303,0.22932
92.51112,0.18499
92.51151,4.41045
92.56188,0.03977
92.57041,0.08404
92.60033,0.74753
92.72481,0.10203
92.73239,0.16324
92.75566,0.01399
92.79088,0.40133
92.80186,2.20258
92.82913,0.06635
92.83126,0.08495
92.86106,0.04197
92.89113,0.37336
93.01625,0.05096
93.03251,1.20692
93.05237,0.49874
93.1211,0.03314
93.12324,0.04244
93.28811,0.04502
93.28955,0.00218
93.30164,1.59732
93.32553,0.60284
93.33372,1.45626
93.34548,0.24912
93.41161,0.00085
93.58243,0.02248
93.58389,0.00109
93.59604,0.7979
93.62828,0.72755
93.70658,0.00042
93.75765,0.75434
93.79812,0.52386
93.95722,0.84965
93.96083,0.08454
94.00846,0.10191
94.01205,0.4622
94.05441,0.37687
94.06104,1.3033
94.09509,0.26174
94.12194,2.00393
94.13565,0.27409
94.20781,0.26138
94.24945,0.7085
94.25502,0.42452
94.25865,0.04223
94.30653,0.05093
94.31014,0.23096
94.31211,0.44374
94.34771,2.80109
94.35939,0.6512
94.37647,0.27135
94.39591,0.86266
94.4206,1.00131
94.43438,0.13696
94.46277,0.42264
94.50693,0.13061
94.54878,0.35399
94.60922,0.39057
94.61177,0.22169
94.64756,1.39971
94.67647,0.13555
94.69601,0.43109
94.7579,0.05091
94.76322,0.21121
94.82905,0.08364
94.85858,3.94587
94.91045,0.1952
94.93347,0.25999
94.97781,1.77771
94.97943,1.02451
94.9846,5.19352
94.99406,0.28113
95.04102,0.48636
95.05992,0.02544
95.09989,0.56034
95.13145,0.04181
95.14075,0.83069
95.16114,1.97189
95.23641,0.12994
95.281,0.88858
95.28263,0.51211
95.28782,2.59549
95.29733,0.14051
95.33185,1.02676
95.34454,0.2431
95.40372,0.28007
95.44481,0.41519
95.45417,0.80582
95.57609,2.02338
95.61514,1.01282
95.63693,0.51323
95.6644,0.16148
95.71308,0.32979
95.7599,0.4028
95.88248,1.01147
95.88961,1.91098
95.92174,0.50634
95.93417,0.01579
95.95422,1.14384
95.97127,0.08071
96.02021,0.16489
96.11564,2.47244
96.16392,1.49062
96.19769,0.95538
96.223,0.05918
96.2425,0.00789
96.26266,0.57198
96.38635,0.48021
96.42495,1.23613
96.47349,0.7453
96.50034,0.40111
96.51329,0.90083
96.51517,3.40403
96.5329,0.0296
96.67155,2.30035
96.67182,2.75943
96.69714,0.24013
96.81175,0.20057
96.82478,0.45047
96.82667,1.70205
96.98323,0.00131
96.98391,1.15028
96.98418,1.3798
97.01156,0.16964
97.15291,0.14369
97.18583,0.24446
97.2427,0.37598
97.29731,0.00066
97.29943,0.02059
97.32579,0.08484
97.38295,0.24436
97.41695,0.00788
97.46793,0.07188
97.50103,0.12226
97.55822,0.18798
97.57869,0.37772
97.61527,0.01029
97.65113,0.2053
97.66087,0.22418
97.69925,0.12219
97.73344,0.00394
97.79276,0.1003
97.89609,0.18895
97.96893,0.10267
97.97873,0.11211
98.01443,0.22643
98.11136,0.05018
98.33428,0.11328
98.33991,0.00607
98.3924,0.05871
98.4344,0.14982
98.44211,1.90502
98.454,0.02133
98.55394,0.26157
98.56107,0.00454
98.66161,0.00303
98.7144,0.02937
98.72472,0.00838
98.75663,0.07497
98.76439,0.95312
98.77635,0.01068
98.84839,0.15967
98.87685,0.13082
98.88403,0.00227
98.90548,0.05279
99.02373,0.14721
99.02382,0.73636
99.04861,0.0042
99.07153,0.59238
99.07595,0.7968
99.13176,0.1128
99.173,0.07986
99.19799,4.56635
99.23041,0.0264
99.24367,0.00139
99.26165,1.87346
99.34935,0.07363
99.34943,0.36851
99.39743,0.29642
99.40187,0.39877
99.45801,0.05645
99.52461,2.28508
99.53978,1.20864
99.57056,0.0007
99.57506,1.83693
99.58864,0.9376
99.58955,0.03379
99.62594,0.33635
99.71891,1.28458
99.81776,0.01878
99.86839,0.60497
99.90388,0.91956
99.91846,0.01692
99.91864,0.08628
99.95506,0.16836
99.96139,0.44179
100.04857,0.64302
100.09397,0.19663
100.10122,0.11322
100.148,0.0094
100.1637,1.11758
100.23182,0.17957
100.24947,0.04317
100.29248,0.22115
100.39376,3.24627
100.42584,0.09844
100.43313,0.05667
100.46104,1.51693
100.49169,2.38896
100.49598,0.55942
100.5628,0.00314
100.5645,0.08991
100.56915,3.46541
100.67742,1.01781
100.72243,0.26319
100.7274,1.62527
100.79508,0.75951
100.79878,0.05638
100.80937,0.19574
100.82591,1.19608
100.89118,0.005
100.89744,0.00157
100.90384,1.73493
100.95093,0.03732
100.96853,0.94784
100.99608,0.00747
101.01276,0.50964
101.01291,0.15617
101.05803,0.13179
101.13483,0.02824
101.14549,0.09802
101.22591,0.65545
101.22779,0.00251
101.28791,0.01868
101.30561,0.47466
101.33332,0.00374
101.35026,0.07818
101.41083,0.11236
101.42465,0.04876
101.48471,0.42289
101.52684,0.21406
101.52715,0.16659
101.56454,0.32828
101.5956,0.23546
101.60642,0.076
101.66709,0.01639
101.68673,1.44285
101.69211,0.66911
101.75058,0.05624
101.76449,0.02443
101.82491,0.21181
101.84081,2.68815
101.86729,0.10717
101.8676,0.08343
101.93647,0.11794
101.94736,0.03809
102.0084,0.00821
102.02816,0.72285
102.02862,0.60478
102.02864,0.08637
102.03357,0.33515
102.03362,1.38631
102.04775,0.1419
102.17129,0.68985
102.17516,0.1056
102.18318,1.34643
102.29831,1.42714
102.33541,0.16616
102.37214,0.303
102.37217,0.04327
102.37717,0.69448
102.39139,0.07107
102.51569,0.34561
102.51959,0.05292
102.52197,0.57969
102.52405,0.23788
102.63952,2.57064
102.64351,0.71503
102.68083,0.0832
102.85254,0.01604
102.86855,0.29045
102.87064,0.11918
102.97975,0.03536
102.98683,1.28793
102.98868,0.33139
103.05367,0.03234
103.1054,0.08454
103.11858,0.14206
103.18601,0.21956
103.1884,0.05119
103.20119,0.00804
103.22427,1.53598
103.22741,2.78704
103.25466,0.49103
103.25535,0.87999
103.26847,0.37198
103.32919,0.01771
103.33818,0.16599
103.40358,0.0162
103.42943,2.68794
103.44181,3.69368
103.45563,0.04235
103.46889,0.07116
103.5133,0.67051
103.53675,0.11007
103.53916,0.02564
103.55971,0.41625
103.57525,0.76975
103.57639,2.69325
103.57841,1.39667
103.60583,0.24609
103.60653,0.44102
103.61973,0.18643
103.73522,0.1101
103.7615,0.01016
103.78171,1.3471
103.79416,1.8511
103.86611,0.33606
103.89219,1.08788
103.91282,0.2086
103.9296,1.34983
103.96372,0.1505
104.01416,0.43966
104.08945,0.05516
104.09134,2.60871
104.11469,0.27941
104.1159,0.00508
104.19734,0.9511
104.19895,0.02724
104.24742,0.54533
104.31941,0.07545
104.37018,0.2204
104.37305,0.0004
104.44785,1.30768
104.47135,0.14009
104.55454,0.47679
104.55615,0.01366
104.67981,0.01711
104.73139,0.0002
105.04014,0.00858
105.25334,1.70301
105.25426,0.79599
105.36137,0.00062
105.36848,0.41499
105.39355,0.00044
105.42245,0.02253
105.43977,0.72684
105.46977,0.39761
105.61477,0.02949
105.61744,0.85415
105.61836,0.39924
105.65675,1.13822
105.72618,0.00031
105.73334,0.20813
105.74884,0.24584
105.75858,0.00022
105.77611,0.97133
105.78173,1.49525
105.78767,0.0113
105.8051,0.36455
105.8353,0.1994
105.84488,1.76892
105.90423,0.00813
105.93515,2.79074
105.98126,0.0148
105.9954,0.03163
106.02353,0.57093
106.07327,0.12004
106.11623,0.1233
106.13372,0.73493
106.1415,0.18653
106.14368,0.48726
106.14934,0.74997
106.172,0.00001
106.21291,0.88743
106.22547,0.20173
106.23782,0.81217
106.27266,0.00408
106.30379,1.39989
106.3151,0.22779
106.36163,0.93323
106.36445,0.01585
106.44284,0.06022
106.47889,1.14947
106.47894,1.21238
106.47897,0.16281
106.48408,1.3299
106.5037,0.36873
106.51153,0.09358
106.53223,0.00821
106.53472,1.91506
106.54002,0.41722
106.54224,0
106.59606,0.10121
106.59852,0.28169
106.6085,0.40753
106.60985,0.00331
106.61847,1.40226
106.65362,0.11952
106.6863,0.11431
106.69899,2.81148
106.7154,0.10039
106.73315,0.46822
106.75641,1.18494
106.78334,0.20008
106.7864,1.36156
106.8346,0.39259
106.8512,0.57686
106.85126,0.60834
106.85129,0.0817
106.85643,0.66723
106.90491,0.00412
106.90742,0.96097
106.91275,0.20934
106.93508,2.20485
106.97165,0.14136
106.98306,0.00166
106.99174,0.70357
106.99387,2.47389
107.02364,1.80257
107.02713,0.05994
107.038,0.20311
107.07281,1.41073
107.08934,0.05035
107.11827,0.14734
107.13062,0.59462
107.15439,0.56645
107.15637,0.15045
107.15774,0.10041
107.16081,0.68323
107.18752,0.27336
107.1955,0.34974
107.20935,0.19701
107.31052,1.10638
107.32497,0.31766
107.36972,1.24148
107.39969,0.90472
107.40702,0.87892
107.40719,0.31172
107.41415,0.10188
107.42719,1.36894
107.49497,0.07394
107.52436,0.56712
107.53134,0.28429
107.53333,0.0755
107.5647,0.13723
107.57162,0.21104
107.57274,0.17547
107.65953,1.3716
107.70311,0.15945
107.71975,0.28822
107.78572,0.44111
107.7859,0.15643
107.80604,0.68712
107.87837,2.33064
107.88065,1.20823
107.90389,0.28462
107.95148,0.10593
107.98268,0.00351
108.04,0.68852
108.10064,0.14468
108.1167,0.63108
108.2164,0.67648
108.24036,0.24307
108.26038,1.16998
108.26267,0.60654
108.26601,0.00939
108.29336,0.03367
108.36542,0.00176
108.43403,0.42937
108.47099,0.87141
108.50038,0.31683
108.59097,1.53217
108.6008,0.33957
108.62492,0.12202
108.65075,0.00472
108.6783,0.0169
108.78762,0.0028
108.81997,0.2156
108.85719,0.43757
108.96757,0.49432
108.97803,0.76942
109.08542,0.71754
109.08684,0.0806
109.08851,0.87563
109.13785,1.25156
109.17609,0.00141
109.2492,0.01972
109.25035,4.3229
109.32728,3.26013
109.35735,0.24825
109.41917,1.31256
109.42007,0.06163
109.4623,2.31886
109.47604,0.36038
109.47748,0.04049
109.47916,0.43976
109.50468,3.20766
109.52886,0.62873
109.63194,0.00457
109.64102,0.00991
109.64218,2.17106
109.71967,1.63739
109.77927,1.71493
109.79547,0.27776
109.81222,0.65929
109.81313,0.03094
109.85567,1.16481
109.86147,1.43014
109.89836,1.6112
110.02655,0.0023
110.08478,0.02638
110.10036,1.28336
110.17497,0.86157
110.19129,0.13949
110.25778,0.71846
110.27102,1.3672
110.48274,0.01326
110.49844,0.64485
110.52464,0.08657
110.60209,1.09543
110.62872,0.69737
110.67037,0.68698
110.71782,0.23115
110.79327,0.04557
110.80726,0.83524
110.84251,1.10098
110.86777,0.19828
110.92589,0.0435
111.00283,0.2717
111.00392,0.55047
111.03075,0.35051
111.08043,0.12651
111.12052,0.11617
111.17252,0.18124
111.19654,0.0229
111.21064,0.41978
111.24616,0.55331
111.27161,0.0996
111.30617,0.09859
111.35219,1.5573
111.36586,0.19856
111.40769,0.13657
111.42701,2.42654
111.48589,0.06359
111.57867,0.09105
111.63657,1.10792
111.6717,0.21234
111.68305,0.0423
111.71335,0.04956
111.72096,0.07593
111.74555,0.2396
111.75973,0.78293
111.7735,0.09977
111.83511,1.21985
111.86856,0.00732
111.91804,0.37217
111.96859,0.01371
112.01913,0.01736
112.04629,0.55698
112.07561,0.20804
112.08022,0.10109
112.0817,0.10676
112.09313,0.02126
112.09625,0.58082
112.13134,0.03818
112.15612,0.12047
112.18917,0.30767
112.28008,0.00367
112.30704,0.81714
112.32995,0.18713
112.33658,0.05535
112.38089,0.00689
112.43183,0.00873
112.45507,1.61199
112.48875,0.10459
112.4934,0.05085
112.50955,0.29204
112.59676,0.29643
112.60046,1.76453
112.6032,0.15464
112.7204,0.00419
112.72199,0.41097
112.75177,0.02783
112.78446,0.36029
112.84905,0.00048
112.87119,0.81067
112.9317,0.01768
112.94069,3.33347
112.94537,0.67278
113.014,0.14904
113.01774,0.88738
113.03933,0.51116
113.04008,0.72538
113.04282,0.04352
113.07217,1.01561
113.13863,0.00211
113.14388,0.10466
113.20319,0.18119
113.20428,0.03248
113.2683,0.00024
113.27519,0.46512
113.3001,0.24106
113.305,1.52206
113.35161,0.0089
113.36068,1.67661
113.36381,0.47031
113.36539,0.33841
113.39273,0.25862
113.4601,0.25711
113.46086,0.36486
113.46362,0.02189
113.48709,4.04255
113.49321,0.51094
113.54985,1.43774
113.56549,0.05267
113.62409,0.10959
113.62638,0.01634
113.67159,0.67937
113.69786,0.23396
113.72297,0.12127
113.72792,0.76584
113.73059,0.1137
113.7872,0.2366
113.80793,0.32278
113.81636,0.1301
113.85374,0.08825
113.91148,2.03367
113.91633,0.01694
113.97475,0.72341
114.04959,0.05512
114.09748,0.34195
114.13161,0.88288
114.14821,0.5107
114.1483,0.26906
114.15696,0.05721
114.19921,0.05994
114.23494,0.16243
114.24446,0.78708
114.24877,0.50937
114.25446,0.15707
114.26091,1.80342
114.28113,0.04441
114.34423,0.00853
114.3973,0.01531
114.44442,0.09604
114.56128,0.44432
114.57802,0.25696
114.57811,0.1354
114.60829,0.00443
114.62944,0.03015
114.67507,0.39613
114.67537,0.92188
114.67941,0.25628
114.68514,0.07901
114.69165,0.90751
114.72546,1.58952
114.74461,1.28856
114.79377,3.09991
114.82917,0.0077
114.87669,0.04833
115.04192,0.00223
115.10957,0.46411
115.16008,0.80018
115.1794,0.64866
115.22897,1.56036
115.28523,0.01998
115.3586,0.96732
115.3906,0.07375
115.40791,0.0961
115.46659,0.00415
115.61226,0.77358
115.64804,0.36266
115.72459,0.01006
115.74601,0.28541
115.78747,0.8463
115.79417,1.11941
115.79859,0.48713
115.82487,0.16273
115.83086,0.03711
115.84678,0.06088
115.84832,0.04839
115.9068,0.01046
115.9075,0.00209
115.97571,0.42949
116.0266,0.25257
116.04657,0.45679
116.05442,0.38955
116.09051,0.18264
116.1035,0.93483
116.18932,0.14375
116.23115,0.42628
116.23481,3.90979
116.2379,0.5639
116.26887,0.08193
116.27692,0.90222
116.29097,0.03066
116.35151,0.00527
116.41339,0.13916
116.42102,0.21632
116.42562,0.00272
116.47104,0.72378
116.47235,0.1272
116.4925,0.23003
116.50515,0.7975
116.54992,0.47087
116.68238,1.96919
116.71142,0.5352
116.72486,0.45444
116.74747,0.16928
116.86253,0.07006
116.86803,0.29265
116.87487,0.00137
116.92069,0.3646
116.9551,0.40177
117.02929,2.2402
117.12713,0.03912
117.13021,0.69193
117.1632,0.26964
117.18138,0.23835
117.1845,0.05702
117.19957,0.08529
117.20409,0.0528
117.3212,0.14744
117.40729,0.06304
117.41945,1.79345
117.4839,1.1288
117.53228,1.01779
117.58263,0.01971
117.58573,0.34867
117.63736,0.12013
117.64051,0.02874
117.66027,0.02659
117.86531,0.03177
117.87758,0.90374
117.88587,0.73805
117.99143,0.51295
118.03443,0.00743
118.07329,0.0176
118.16853,0.26245
118.20623,0.06111
118.34826,0.37203
118.4541,0.46912
118.49819,0.00375
118.53741,0.00886
118.5537,1.44709
118.55472,0.51302
118.63352,0.13231
118.67158,0.03079
118.92176,0.23653
118.97243,0.00056
119.02229,0.72964
119.02331,0.25867
119.0858,0.18894
119.16866,0.51241
119.19811,0.05598
119.36486,4.7721
119.44497,0.00028
119.47112,3.35297
119.54324,0.03534
119.55289,0.07697
119.55678,0.00841
119.55942,0.09528
119.64306,0.25841
119.6728,0.02825
119.81188,0.65682
119.84115,2.40674
119.87762,1.28613
119.94843,1.69116
119.96006,0.37208
119.98027,0.18604
120.00214,0.00014
120.02125,0.01783
120.03099,0.03883
120.03492,0.00425
120.07559,0.21
120.26733,0.17118
120.29249,0.33138
120.31858,0.15955
120.35783,1.83017
120.35887,0.64888
120.38005,0.33946
120.39274,0.26989
120.44212,0.18773
120.46253,0.09387
120.48461,0.00007
120.55878,0.10595
120.59066,1.92615
120.72594,0.23801
120.7524,0.08636
120.77247,1.45353
120.77399,0.6832
120.77627,3.84592
120.80416,0.08053
120.8438,0.92352
120.86624,0.1713
120.87906,0.13619
120.91406,0.00918
121.00335,2.28296
121.02465,0.74486
121.03813,0.54526
121.07894,0.97212
121.11867,0.12282
121.17173,0.53918
121.1795,0.01075
121.21557,0.12013
121.26257,0.73378
121.26411,0.34483
121.26641,1.94095
121.30352,3.80888
121.40559,0.00463
121.41491,0.98568
121.49577,1.15231
121.5173,0.376
121.53091,0.27526
121.56964,0.33003
121.61227,0.06196
121.66586,0.27224
121.67372,0.00542
121.76392,0.2533
121.799,1.92269
121.83063,1.05849
121.85691,0.58183
121.91152,0.49779
121.98083,3.76665
122.02951,0.62894
122.03152,0.7641
122.06784,0.16664
122.22852,0.03475
122.23176,0.44941
122.26412,0.1279
122.31634,0.31527
122.33152,0.5346
122.33304,0.0206
122.334,1.02638
122.34403,0.49041
122.35808,0.29381
122.48329,1.9021
122.48894,0.08488
122.50398,1.22003
122.53247,0.31763
122.53451,0.38583
122.57853,4.41742
122.71635,1.05076
122.73357,0.01754
122.73684,0.22694
122.76339,0.21546
122.82231,0.15924
122.83919,0.01041
122.84016,0.51846
122.8503,0.24773
122.85284,2.29178
122.92826,2.16099
122.97786,0.60202
122.99674,0.04289
123.00525,0.43241
123.01194,0.61641
123.04413,0.026
123.08728,2.23125
123.1206,0.02673
123.13337,1.07705
123.16552,0.1054
123.16867,0.03221
123.17652,0.92161
123.22656,0.53087
123.23539,3.42621
123.24389,0.04278
123.27411,0.10887
123.32876,0.45869
123.36451,1.15779
123.37426,2.59244
123.37458,1.01719
123.41859,0.06924
123.43709,0.69221
123.44075,1.09186
123.49087,0.30421
123.51085,0.00352
123.51857,0.21854
123.52153,0.27572
123.55786,0.01314
123.63516,0.01351
123.64005,0.28671
123.64807,0.54426
123.65445,0.06946
123.68056,0.05326
123.68374,0.01627
123.69168,0.46569
123.70587,0.67018
123.75119,1.73122
123.75978,0.02162
123.79827,0.1607
123.84558,0.23183
123.86412,0.05272
123.86715,0.92392
123.89157,1.31001
123.89189,0.51419
123.92987,2.68933
123.93638,0.03499
123.95509,0.34995
124.02965,0.00178
124.04045,0.13937
124.1343,2.5088
124.14848,0.6925
124.16027,0.14486
124.17483,0.03511
124.19363,2.90061
124.22682,0.33873
124.23321,1.18077
124.25632,4.7871
124.32023,0.0812
124.38682,0.02664
124.38988,0.46713
124.41144,0.13004
124.45329,1.3595
124.47368,1.5611
124.53091,1.85479
124.54066,1.60517
124.65525,2.42955
124.66,1.26844
124.66277,0.0234
124.67434,0.35012
124.71999,1.46649
124.76002,0.59717
124.78339,2.4201
124.90935,0.29296
124.94025,0.06575
125.0032,0.78942
125.00661,0.09817
125.02225,0.00553
125.02717,0.28069
125.06108,0.93783
125.07093,0.8118
125.16075,1.95571
125.17585,1.71817
125.18683,1.22862
125.1883,1.05605
125.19443,0.01183
125.28647,0.10412
125.31642,2.50594
125.44383,0.14817
125.49921,0.00967
125.50666,0.06032
125.51023,0.04337
125.54221,0.04966
125.55803,0.0028
125.56301,0.1419
125.69813,0.98936
125.7134,0.86928
125.726,0.53425
125.78248,0.32763
125.7826,0.53082
125.803,0.00337
125.80601,1.66879
125.82531,0.05265
125.85561,1.26758
126.00801,0.43016
126.04053,0.00489
126.04807,0.0305
126.05168,0.02194
126.06238,0.67313
126.06594,0.7912
126.25415,0.23949
126.27051,0.49225
126.32713,0.16571
126.32726,0.2686
126.3479,0.0017
126.35094,0.8445
126.47064,1.75063
126.47909,0.16383
126.50309,0.01576
126.55534,0.2177
126.57226,0.46805
126.61036,0.3407
126.61397,0.40044
126.62298,0.10853
126.63025,0.0353
126.6907,2.17457
126.76675,2.61813
126.80444,0.12122
126.81732,0.06868
126.82099,0.24918
126.84125,0.01744
126.84255,1.76013
127.02353,0.88612
127.03209,0.08295
127.05638,0.00798
127.12639,0.23699
127.15122,1.92164
127.17773,0.05492
127.18508,0.01787
127.24628,1.10095
127.25795,2.14375
127.26098,0.39083
127.27129,1.66978
127.31606,4.0018
127.32325,1.32555
127.37444,0.03477
127.39866,0.00882
127.39998,0.89117
127.42978,0.84051
127.47696,1.00829
127.50244,0.02976
127.50667,0.41568
127.51967,0.00046
127.5214,0.47199
127.54529,0.88877
127.54927,0.02331
127.60784,0.70331
127.68359,1.77713
127.70312,0.12732
127.71246,0.97321
127.7504,0.47771
127.82052,1.08557
127.82359,0.19786
127.83402,0.84563
127.87529,0.02581
127.87935,2.0265
127.9945,0.4257
128.04227,0.51074
128.06807,0.01507
128.07235,0.21052
128.08551,0.00023
128.08727,0.23905
128.11145,0.45016
128.11549,0.01181
128.17479,0.35631
128.23935,0.00509
128.24757,0.52394
128.2515,0.90008
128.27128,0.0645
128.31916,0.24199
128.32314,0.47425
128.44563,0.01307
128.47943,0.69382
128.60703,3.08276
128.668,0.08036
128.81437,0.00258
128.82269,0.26544
128.89924,0.24025
128.9855,0.02532
129.02922,1.42235
129.05756,0.35163
129.10267,0.27501
129.18682,1.56231
129.20659,2.64404
129.2486,0.04071
129.57029,0.01283
129.61458,0.72101
129.68901,0.1394
129.79432,1.3405

Answer: D


Question:
Identify the lattice system of the provided X-ray diffraction pattern. In the provided diffraction patterns, Column A denotes the 2-thera from diffraction and Column B denotes the normalized diffraction intensity. A high intensity suggests a peak. Identify lattice system in the provided pattern:
Column A,Column B
28.1625,100
28.23212,49.74257
31.15182,19.89811
31.22918,9.89701
31.83131,10.21142
31.91046,5.07914
34.81035,8.83971
34.89736,4.39644
35.55532,0.76466
35.64431,0.38027
35.80027,2.93182
35.88992,1.45801
38.42271,1.33796
38.51943,0.66532
39.33418,0.73667
39.43338,0.36631
39.75232,0.81078
39.85266,0.40316
41.63459,0.13912
41.74013,0.06917
45.1378,14.70994
45.25316,7.31355
47.40236,12.63443
47.52422,6.28129
47.8827,16.42036
48.00595,8.16327
48.64934,1.2058
48.77482,0.59944
50.26432,0.00227
50.39455,0.00113
50.60964,0.205
50.74088,0.1019
53.61474,17.98693
53.75502,8.9413
54.49164,18.51986
54.6346,9.20609
58.23408,12.805
58.32141,0.10615
58.38871,6.36528
58.41891,14.65837
58.47632,0.05277
58.57413,7.28651
61.14096,0.07006
61.28748,0.19386
61.30497,0.03483
61.45196,0.09637
61.79216,0.03998
61.9583,0.01987
62.67764,0.02444
62.84671,0.01215
63.05382,0.04626
63.22415,0.023
63.47385,0.18248
63.64558,0.09071
64.96332,1.16709
65.14009,0.58028
65.44576,0.60567
65.62418,0.30111
65.7381,0.01526
65.91752,0.00759
66.52067,2.37188
66.70278,1.17927
67.76168,0.00246
67.94814,0.00122
68.75429,0.15934
68.94426,0.07923
69.74495,0.04779
69.93847,0.02376
70.07066,0.00074
70.21717,0.00018
70.26535,0.00037
70.4124,0.00009
71.48036,0.209
71.6802,0.10394
72.37668,0.03184
72.57984,0.01584
72.99705,5.5766
73.20254,2.77397
73.4899,1.51473
73.69724,0.7535
74.16887,4.52643
74.37879,2.25175
75.27275,2.95361
75.48691,1.46955
75.72445,0.19123
75.86281,4.05919
75.94036,0.09514
76.07926,2.01971
76.39046,4.97875
76.60898,2.47752
76.81685,0.0018
77.03705,0.0009
77.11976,4.00578
77.32243,2.57617
77.34116,1.99359
77.54463,1.2821
77.84627,0.02357
77.90815,0.01118
78.07057,0.01173
78.07415,0.18532
78.1327,0.00556
78.29936,0.09223
79.43131,0.08479
79.66203,0.04221
80.89725,0.05959
81.13406,0.02967
81.95308,2.38349
82.19435,1.18707
82.31141,2.43465
82.55421,1.21262
82.96317,0.00767
83.20878,0.00382
83.41001,0.07145
83.65756,0.03559
84.12347,0.00058
84.37414,0.00029
84.39102,0.00046
84.61492,3.32577
84.64288,0.00023
84.86777,1.65727
85.68361,4.31653
85.75811,0.05915
85.94125,2.15139
86.01608,0.02948
87.70353,0.0001
87.97045,0.00005
88.32507,0.12063
88.59491,0.06016
88.82237,0.00012
89.05973,4.1601
89.09457,0.00006
89.33306,2.07505
90.59655,3.8663
90.87732,1.92927
90.97676,0.00168
91.18955,3.32932
91.25941,0.00084
91.47325,1.66161
92.30839,0.01118
92.59771,0.00558
92.96053,0.02874
93.10726,0.0291
93.25317,0.01435
93.40066,0.01453
93.75481,4.86601
94.05156,2.43017
94.46588,0.01084
94.76635,0.00542
95.1783,0.08375
95.40213,0.02986
95.48256,0.04184
95.53112,0.02824
95.70758,0.01492
95.83727,0.01411
96.02639,0.04046
96.33522,0.02022
96.76546,0.00808
96.83009,0.00146
97.07833,0.00404
97.14332,0.00073
97.40663,0.00086
97.46054,0.00011
97.72306,0.00043
97.77728,0.00006
98.53586,0.00072
98.85868,0.00036
98.91537,0.05572
99.24037,0.02787
100.27561,1.56791
100.60855,0.78467
100.99142,0.00025
101.076,3.08676
101.32864,0.00012
101.41373,1.5452
101.44375,0.00011
101.7837,0.00005
102.89246,0.00005
103.24135,0.00002
103.33251,0.02171
103.68418,0.01087
105.2281,0.02113
105.25561,0.00001
105.59203,0.01059
105.61973,0
106.52184,3.02815
106.89445,1.51879
107.01471,1.74165
107.32573,0.89294
107.3907,0.87368
107.47329,0.12363
107.70387,0.44798
107.7526,0.00806
107.85246,0.06203
108.00867,3.83113
108.13372,0.00405
108.39159,1.92254
108.5056,1.666
108.53221,0.00036
108.89205,0.8362
108.91885,0.00018
109.18861,0.01033
109.2819,0.15644
109.57999,0.00519
109.67395,0.07854
109.96815,3.06931
110.03183,0.07357
110.36524,1.54143
110.4294,0.03694
110.69832,0.00065
110.70515,1.04044
110.93676,3.57159
111.10088,0.00033
111.10775,0.52265
111.34112,1.79433
112.25048,0.05638
112.25119,4.46157
112.34242,0.02496
112.66499,0.02834
112.66571,2.24256
112.75765,0.01254
112.93017,0.03554
113.35007,0.01787
114.39707,0.02402
114.74599,0.0441
114.82894,0.01209
115.18078,0.02219
115.74378,0.05427
116.18708,0.02732
116.29626,3.39129
116.3195,0.04044
116.6282,1.6677
116.74437,1.70751
116.76781,0.02036
117.01954,0.00291
117.07924,0.8398
117.47406,0.00147
117.49026,3.52987
117.94903,1.77819
118.47385,1.70725
118.71883,3.93572
118.94169,0.86042
119.13166,0.00411
119.18897,1.9837
119.53149,4.48106
119.53384,0.08763
119.60572,0.00207
119.85187,1.78927
120.00938,2.25936
120.01176,0.04418
120.18769,0.05378
120.33286,0.90231
120.67198,0.02712
120.95445,0.00171
121.44638,0.00087
122.17539,1.60086
122.67988,0.80821
122.85383,0.03628
123.20065,0.05732
123.36552,0.01832
123.71608,0.02895
124.1604,0.00001
124.65007,0.0342
124.68639,0
125.18159,0.01728
125.523,0.00001
126.0646,0
126.39213,0.01012
126.94407,0.00512
126.94529,0.03785
127.50398,0.01916
127.63183,1.37982
128.19909,0.69859
128.84039,4.23738
129.12446,0.0497
129.42325,2.14698
129.71109,0.02519

Answer: D


Question:
Identify the lattice system of the provided X-ray diffraction pattern. In the provided diffraction patterns, Column A denotes the 2-thera from diffraction and Column B denotes the normalized diffraction intensity. A high intensity suggests a peak. Identify lattice system in the provided pattern:
Column A,Column B
26.91929,1.84255
26.98572,0.91653
31.40081,100
31.47883,49.73803
32.04917,17.0687
32.12889,8.48967
38.43717,20.97121
38.53393,10.42878
42.33344,0.84712
42.44092,0.42119
50.88468,31.4777
51.01675,15.64799
55.48788,11.88763
55.6339,5.90918
56.72012,17.52531
56.86998,8.71169
58.09727,0
58.25147,0
62.72732,0.18036
62.89656,0.08966
65.15759,22.63384
65.33501,11.25271
65.53272,8.69962
65.71143,4.32531
67.02236,3.21963
67.20622,1.60079
72.19257,0.20561
72.39505,0.10226
73.61937,0.09539
73.8272,0.04745
77.07563,0
77.29685,0
79.99918,5.01587
80.23225,2.49733
82.3477,3.55418
82.59065,1.7702
83.3785,11.33586
83.62591,5.64719
88.57856,0.02583
88.84959,0.01288
90.76179,4.78871
91.04339,2.38965
91.10277,3.86183
91.38605,1.92735
92.4672,5.61519
92.75733,2.80331
93.4914,4.57687
93.78678,2.28566
94.79256,3.65864
95.09477,1.82785
96.98736,0
97.30146,0
97.33097,0.04194
97.64698,0.02097
98.7082,0.08198
99.03201,0.041
103.64796,10.01897
104.00163,5.01968
108.54863,4.16327
108.93539,2.08967
111.81823,0.86618
112.22936,0.43533
112.70356,0
113.12165,0
114.11774,0.03716
114.5473,0.01869
115.24339,0
115.68239,0
116.53311,8.67992
116.9833,4.37074
118.4549,5.26179
118.68658,0.03789
118.92257,2.65172
119.15642,0.01909
119.6248,8.9454
120.10359,4.5106
124.12638,0.0794
124.65199,0.04012
125.7904,0.04047
126.04163,5.78361
126.33515,0.02047
126.58937,2.92561

Answer: B


Question:
Identify the lattice system of the provided X-ray diffraction pattern. In the provided diffraction patterns, Column A denotes the 2-thera from diffraction and Column B denotes the normalized diffraction intensity. A high intensity suggests a peak. Identify lattice system in the provided pattern:
Column A,Column B
13.07505,0
13.10686,0
26.32433,100
26.38923,49.7423
39.94412,0
40.04499,0
41.64429,2.28931
41.64429,2.30636
41.74985,1.13824
41.74985,1.14676
43.83318,11.29192
43.83318,11.37977
43.94486,5.61396
43.94486,5.65784
49.94049,2.25189
49.94049,2.27191
50.06976,1.11939
50.06976,1.12939
54.18338,7.38277
54.32539,3.6697
59.07232,3.4326
59.07232,3.47037
59.22963,1.70617
59.22963,1.72503
69.39864,0
69.59091,0
70.58078,0.57319
70.58078,0.58133
70.77733,0.28503
70.77733,0.28909
76.00401,6.50106
76.22101,3.2345
77.52999,0
77.75302,0
82.05906,10.42528
82.30078,5.19167
84.30986,0.97037
84.30986,0.98793
84.56135,0.48343
84.56135,0.49222
86.17645,1.54036
86.43632,0.76771
89.51155,0
89.78704,0
90.62232,0.13937
90.62232,0.13667
90.90322,0.06954
90.90322,0.06819
92.1082,0.81083
92.1082,0.79489
92.39651,0.40474
92.39651,0.39674
96.57843,0.25099
96.57843,0.24582
96.89027,0.12545
96.89027,0.12285
99.95956,7.31081
100.29064,3.65777
100.72127,0.23485
100.72127,0.23999
101.05686,0.11753
101.05686,0.12011
104.13399,0.70506
104.13399,0.68954
104.49078,0.35329
104.49078,0.34547
105.6849,0
106.05187,0
113.97149,0
114.39985,0
115.19298,0.23937
115.19298,0.23373
115.63155,0.12045
115.63155,0.1176
121.53788,0.76281
121.53788,0.7443
122.03575,0.37556
122.03575,0.38494

Answer: C


Question:
Suppose the materials described below will be loaded into a vacuum-sealed tube to perform a solid-state synthesis. The maximum temperature of the solid-state reaction is noted. Choose the type of reaction tube you want to use for the reaction.
Reaction: Synthesis of Ca3P2: Calcium metal and phosphorus powder reacted at 1200 degree Celsius for 2 hours.

Answer: D

Explanation: This question tests LLM's ability to make routine experiment judgements. The type of reaction tube depends on chemical properties of the reactants, the reaction temperature, easiness to vacuum seal the tube, the price of the tube, etc.  Among the tubes, polypropylene is cheap and easy to use, but cannot be vacuum sealed, so should never be picked.  Glass is cheap and easy to seal, but has very low melting temperature and is not suitable for reactions above 500 degree C.  Quartz is fairly cheap and should be used for reactions between 500 deg C and 1000 deg C.  Tantalum tube is expensive and hard to seal, so will typically be picked only when the reaction temperature is high (>1000 degree C). The short reaction time (2 hours) does not affect reaction tube choice.  The most expensive tantalum should be used due to the high temperature.


Question:
Suppose the materials described below will be loaded into a vacuum-sealed tube to perform a solid-state synthesis. The maximum temperature of the solid-state reaction is noted. Choose the type of reaction tube you want to use for the reaction.
Reaction: Synthesis of CrSbSe3: Cr, Sb, and Se powder reacted at 800 degree Celsius for 5 hours.

Answer: C


Question:
Suppose the materials described below will be loaded into a vacuum-sealed tube to perform a solid-state synthesis. The maximum temperature of the solid-state reaction is noted.  Choose the type of reaction tube you want to use for the reaction.
Reaction: Synthesis of Sb2Se3: Sb and Se powder reacted under 500 degree Celcius for 5 hours.

Answer: B

Explanation: This question tests LLM's ability to make routine experiment judgements. The type of reaction tube depends on chemical properties of the reactants, the reaction temperature, easiness to vacuum seal the tube, the price of the tube, etc.  Among the tubes, polypropylene is cheap and easy to use, but cannot be vacuum sealed, so should never be picked.  Glass is cheap and easy to seal, but has very low melting temperature and is not suitable for reactions above 500 degree C.  Quartz is fairly cheap and should be used for reactions between 500 deg C and 1000 deg C.  Tantalum tube is expensive and hard to seal, so will typically be picked only when the reaction temperature is high (>1000 degree C). Quartz can be used as well, but people typically won't choose it given the higher price.  This is a judgement call.


Question:
Suppose the materials described below will be loaded into a vacuum-sealed tube to perform a solid-state synthesis. The maximum temperature of the solid-state reaction is noted.  Choose the type of reaction tube you want to use for the reaction.
Reaction: Synthesis of LaNiO2: CaH2 and LaNiO3 reacted under 300 degree Celcuis for 2-3 weeks.

Answer: B

Explanation: This question tests LLM's ability to make routine experiment judgements. The type of reaction tube depends on chemical properties of the reactants, the reaction temperature, easiness to vacuum seal the tube, the price of the tube, etc.  Among the tubes, polypropylene is cheap and easy to use, but cannot be vacuum sealed, so should never be picked.  Glass is cheap and easy to seal, but has very low melting temperature and is not suitable for reactions above 500 degree C.  Quartz is fairly cheap and should be used for reactions between 500 deg C and 1000 deg C.  Tantalum tube is expensive and hard to seal, so will typically be picked only when the reaction temperature is high (>1000 degree C). The very long reaction time (2-3 weeks) does not change the choice of glass due to the low reaction temperature.


Question: You are running a column chromatography using 1:3 EtOAc:hexanes, but notice that some compounds are not properly separated and co-elute with similar Rf values. What would be the most reasonable next solvent system to try?

Answer: A

Explanation: When compounds co-elute, they need better separation. Decreasing polarity (less EtOAc) will slow down the more polar compounds more than the less polar ones, creating better separation. Increasing polarity would make separation worse by pushing both compounds up together.


Question: During a methylation reaction using MeI (1.2 equiv.) under ice bath conditions (~0°C), you observe poor regioselectivity between competing nucleophilic sites. Which approach would most likely improve the selectivity?

Reduce MeI to 1 equivalents to minimize over-alkylation

Remove the ice bath and run at room temperature

Switch to a dry ice-acetone bath (-78°C)

Answer: C

Explanation: Lower temperatures favor selectivity by increasing the energy difference between competing pathways. Reducing MeI (option A) is tempting but insufficient reagent may lead to incomplete conversion rather than improved selectivity. The kinetic control achieved at lower temperature is more effective for regioselectivity.


Question: What is the correct sequence when setting up a reflux reaction with multiple reagents?

Add all reagents, start heating, then turn on cooling water

Set up condenser with cooling water, add solvent and heat, then add reagents

Turn on cooling water, add all reagents, then start heating

Heat the empty flask, add hot solvent, then reagents and cooling water

Answer: C

Explanation: Cooling water must always be established before any heating to prevent thermal shock to glassware and ensure proper condensation. All reagents should be added before heating to ensure proper mixing and prevent hot spots. Adding reagents to hot solutions can cause violent reactions or decomposition.


Question: You developed a TLC plate and observed that all your compounds have Rf values between 0.8-0.95. What is the best strategy to improve resolution?

Answer: B

Explanation: Rf (retention factor) = distance traveled by compound / distance traveled by solvent front. When Rf values are too high (0.8-0.95), compounds are moving too fast and bunching together near the solvent front. Using a less polar solvent system will slow down all compounds and spread them out in the lower portion of the plate where resolution is better.


Question: A complex multiplet in your ¹H NMR spectrum at 400 MHz appears as overlapping peaks that are difficult to interpret. Running the same sample at 500 MHz would most likely:

Increase all chemical shift values by 25%

Improve the resolution of J-coupling patterns

Reduce the integration ratios proportionally

Answer: B

Explanation: Higher field strength increases the Hz separation between chemically different protons (chemical shift dispersion) while J-coupling constants remain the same in Hz. This improves spectral resolution and makes complex multipets easier to analyze. Chemical shifts in ppm remain the same, and integration ratios are unchanged.


Question: During rotary evaporation of a solution containing a thermally sensitive compound, you notice decomposition occurring. Which parameter should be adjusted first?

Increase rotation speed to improve heat transfer

Answer: C

Explanation: For thermally sensitive compounds, temperature is the most critical parameter. Lowering the water bath temperature should be tried first. Increased vacuum (B) could also help by lowering boiling points, but temperature control is more direct and immediate.


Question: When completing a vacuum filtration using an oil-filled rotary vane pump, what is the correct sequence for safely ending the procedure?

Turn off the pump immediately after filtration is complete → Break the vacuum at the filter flask → Disconnect the pump from the system → Close the pump inlet

Break the vacuum at the filter flask → Close the valve between the trap and pump → Run the pump with open inlet for ~1 minute → Turn off the pump → Close the pump inlet

Turn off the pump while still connected → Break the vacuum at the pump inlet → Disconnect all hoses → Open the filter flask vent → Clean the apparatus

Close all valves to isolate the system → Turn off the pump → Wait 5 minutes for pressure equalization → Break the vacuum at multiple points simultaneously

Answer: B

Explanation: Turning off the pump first while under vacuum causes oil back-streaming into the system and can damage both the pump and create contamination hazards. Breaking vacuum at the pump inlet first (rather than the flask) can cause violent suck-back of filtrate into the vacuum lines and pump.


Question: A reaction proceeds with inversion of stereochemistry and shows second-order kinetics (first order in both nucleophile and substrate). This data is most consistent with which mechanism?

Answer: B

Explanation: Inversion of stereochemistry is diagnostic for SN2. Second-order kinetics (rate ∝ [Nu][RX]) confirms SN2. The rate decrease in polar solvents occurs because polar solvents stabilize the nucleophile, making it less reactive. SN1 would show first-order kinetics and racemization.


Question: When using phosphomolybdic acid (PMA) stain, which compound would give the strongest positive result (dark blue/green spot)?

Answer: C

Explanation: PMA detects reducing compounds by being reduced itself. Benzyl alcohol is the most reducing due to its alcohol functional group and benzylic position. Benzoic acid is weakly reducing, benzonitrile is essentially non-reducing, and nitrobenzene is actually oxidizing. The alcohol will give the strongest color development.


Question: You need to extract a carboxylic acid (pKₐ = 4.2) from an organic layer into aqueous phase under mild condition. What pH range would provide optimal extraction efficiency?

Answer: C

Explanation: For quantitative extraction of a weak acid, the aqueous phase should be ~2 pH units above the pKₐ to ensure >99% of the acid is in its ionized (carboxylate) form, which preferentially partitions into the aqueous phase. At pH 6-7, the acid will be >99% ionized and efficiently extracted.


Question: Your Grignard reaction fails to initiate despite using freshly distilled THF and activated Mg turnings. Which method is most likely to succeed?

Add a few drops of concentrated HCl to activate the metal

Add a few crystals of iodine to etch the Mg surface

Gently warm the mixture to 40°C with stirring

Add a small crystal of HgCl₂ as catalyst

Answer: B

Explanation: Iodine is the most reliable Grignard activator. It etches the Mg surface, removing the oxide layer and creating active sites. The small amount of MgI₂ formed catalyzes further reaction. Option D (HgCl₂) is tempting as mercury can form amalgams with Mg, but it's highly toxic and not commonly used. (HCl) is tempting because acids can remove oxide layers, but it would immediately protonate and destroy any Grignard reagent that forms, making it counterproductive.


Question: For selective hydrogenation of an alkyne to alkene without over-reduction to alkane, which catalyst system is most appropriate?

Answer: B

Explanation: Lindlar catalyst is specifically designed for semi-hydrogenation of alkynes to alkenes. The lead poisons" the palladium


Question: For analyzing a thermally labile, high molecular weight protein, which ionization method would be most appropriate?

Matrix-assisted laser desorption (MALDI)

Answer: C

Explanation: ESI is a 'soft' ionization technique ideal for large, thermally sensitive biomolecules. It produces multiply charged ions, extending the mass range. EI is too harsh and fragments large molecules. MALDI is also suitable but ESI is better for solution samples and provides better quantitation.


Question: You're running a reaction that should be complete in 2 hours according to literature, but TLC after 4 hours only shows starting material. What's the most systematic approach?

Add more catalyst and heat for another 4 hours

Check the reaction by ¹H NMR to confirm starting material identity

Add more base in case it's been neutralized

Answer: B

Explanation: Before making changes, confirm what you're actually observing. The TLC spot you think is starting material might be product, impurity, or degradation product. NMR analysis will definitively identify what compounds are present and their ratios.


Question: When scaling up from analytical (4.6 mm ID) to preparative HPLC (20 mm ID), maintaining the same resolution requires:

Increasing flow rate proportionally to column cross-sectional area

Increasing injection volume proportionally to column volume

Maintaining the same pressure drop across the column

Using the same linear velocity and sample concentration

Answer: D

Explanation: Resolution depends on linear velocity (cm/min), not volumetric flow rate (mL/min). The linear velocity should remain constant, which means flow rate increases with the square of the diameter ratio. Sample concentration should also remain constant to maintain the same band capacity.


Question: When cutting parafilm from the roll for sealing glassware, what is the correct approach for optimal stretching and sealing properties?

Cut a long strip and stretch lengthwise (parallel to the original roll direction)

Cut a wide piece and stretch widthwise (perpendicular to the roll direction)

Cut small squares and stretch diagonally for maximum elasticity

Use parafilm directly from the roll without pre-cutting for continuous application

Answer: B

Explanation: Parafilm should be cut wider than needed and then stretched widthwise (perpendicular to how it comes off the roll). The material's molecular orientation from manufacturing makes it stretch much more effectively in the width direction than lengthwise. Stretching widthwise activates the self-sealing properties and creates the optimal thickness for conforming to glass surfaces. Lengthwise stretching (option A) is much more difficult and less effective. This is why experienced chemists always cut parafilm 'wide' rather than 'long' for wrapping applications.


Question: Your compound crystallizes as an oil instead of crystals when you cool the solution. Which technique is most likely to induce crystallization?

Scratching the flask wall with a glass rod

Slow cooling in an ice bath instead of room temperature

Answer: D

Explanation: Oil formation (supersaturation without crystallization) is common. Scratching provides nucleation sites, seed crystals provide a crystal template, and slower cooling allows more organized crystal formation rather than rapid precipitation. All these techniques work by overcoming the kinetic barrier to crystallization.


Question: When loading a sample for preparative TLC on a 20×20 cm silica plate, what is the most critical factor for achieving good separation?

Apply the sample as a single concentrated spot in the center

Streak the sample as a thin, continuous line across the plate width

Apply multiple small spots evenly spaced across the starting line

"Load the sample in a thick band to maximize loading capacity"

Answer: B

Explanation: For preparative TLC, the sample should be applied as a thin, continuous horizontal line (streak) across most of the plate width, typically 15-17 cm on a 20 cm plate. This maximizes the separation path length while keeping the sample band thin for good resolution. A single spot (option A) wastes most of the plate's capacity. Multiple discrete spots (option C) can lead to uneven development and complicate collection. A thick band (option D) causes poor resolution due to overloading effects and band broadening.


Question: Convert the following SMILES to its IUPAC name: O=c1n(CCO)c2ccccc2n1CCO

Answer: C


Question: Convert the following SMILES to its molecular formula: CCOC(=O)c1sc(/C=C/c2nc3c(s2)CCC3)nc1C

Answer: B


Question: Convert the following SMILES to its molecular formula: CCOC(=O)[C@H](F)[C@@]1(O)CCC[NH+](C(C)C)CC1

Answer: D


Question: What is the degree of unsaturation for the molecule with SMILES: N#Cc1ccc(-c2ccc(O[C@@H](C(=O)N3CCCC3)c3ccccc3)cc2)cc1

Answer: B


Question: What is the degree of unsaturation for the molecule: colchicine

Answer: D


Question: What is the degree of unsaturation for the molecule: (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

Answer: A


Question: What is the degree of unsaturation for the molecule: (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

Answer: C


Question: What is the degree of unsaturation for the molecule: Desoxycortone

Answer: A


Question: If I want to use GFN2-xTB to compute the thermochemistry property of a target molecule. Starting from a geometry generated by Rdkit, what command should be used:

Answer: C

Explanation: Only --ohess is valid command


Question: I would like to fix atoms 1-5 (index starts from 1) and 8,9,20 during a geometry optimization using GFN2-xTB. What should be written in the control file between ‘$fix’ and ‘$end’:

Answer: B

Explanation: The atom index in xtb starts from 1


Question: I have obtained a transition state geometry of a Diels-Alder reaction, but I would like to search for potentially lower-energy transition state conformations that still connect the same reactant and product. What would be the best approach to accomplish this using CREST?

Provide the Hessian matrix of the input transition state and use the --ts flag.

Fix the reactive atoms in the detailed input file.

Apply constraints on the distance a between the two newly formed bonds, using the distance from the input transition state.

Fix the reactive atoms and their nearest neighbors in the detailed input file.

Answer: C

Explanation: Common feature between different TS conformation is the distance between changed bonds.


Question: I am performing a conformational sampling using CREST for a specific molecule, and I have received the message, “WARNING! Change in topology detected!”, CREST process terminates with error. What will be the best practice to solve this problem

Pre-optimize the input separately with xtb.

Identify the bond changes during the optimization and fix them

Answer: C

Explanation: Only the third option will results in correct atom connectivities


Question: If I want use B3LYP functional and def2-TZVP basis set with D3 dispersion, what should put on command line for running an ORCA job:

Answer: C

Explanation: ORCA use '!' in command, and use D3ZERO for D3 dispersion


Question: What is a good setting for running a transition state (saddle point) using ORCA with B97-3c method?

Answer: D

Explanation: NumFreq is too time-cosuming, OPT=(TS) is for Gaussian input


Question: Which is a valid option in PySCF to run a geometry optimization.

from pyscf import optimize; optimize(mf)

from pyscf.geomopt import berny; berny.optimize(mf)

from pyscf.geomopt.geometric_solver import optimize; optimize(mf,method=’berny’)

Answer: C

Explanation: A,B, and D will return error messgae