id stringlengths 1 4 | question stringclasses 60
values | answer stringlengths 1 2.6k | images images listlengths 1 4 |
|---|---|---|---|
101 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | FC1C(Br)=CC(C)=C(I)C=1<sep> | |
102 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | CCOc1nc(Nc2cnn(C3CCCC3O)c2Cl)nc2[nH]ccc12<sep> | |
103 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | C1(*)C(*)=CC=C(CN(CCN2N=CN=C2)CCN2N=CN=C2)C=1*<sep><a>1:R[2]</a><a>3:R[3]</a><a>24:R[1]</a> | |
104 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | *OC1C=C2CCN(C(C3C=CC(OCCN4CCN(*)CC4)=CC=3)C2=CC=1)C1C=CC=CC=1<sep><a>0:Bn</a><a>20:Boc</a> | |
105 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | O(c1ccc(Cl)c(Cl)c1[C@H](N)CNCCO)COC<sep> | |
106 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | C(C1(CC1)C)(C)=C([H])[H]<sep> | |
107 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | C1(N)C=CC(CC(C)=O)=CC=1<sep> | |
108 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | O(C(=O)C1CCc2ccccc2C1=O)CC<sep> | |
109 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | *C(C#C*)=O<sep><a>0:<dum></a><a>4:R[6]</a> | |
110 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | CCC[n]1c2c([n](c([n](C)c2nc1OCC1CCCC1)=O)CCCO[H])=O<sep> | |
111 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cccnc2Oc2ccc(F)cc2)CC1<sep> | |
112 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | *CN1CC(O)CCC1<sep><a>0:<dum></a> | |
113 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | *C1C(N)=CN(C2C=C(CO)C=CC=2)N=1<sep><a>0:CF3</a> | |
114 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | C1=C(C)C(NC(*)=O)=CC2C(C)=NOC1=2<sep><a>6:R</a> | |
115 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | C1(C#N)C(C)=C([H])C=1<sep> | |
116 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | CCOC(C1=C(*)C2C(NCCC=2N1)=O)=O<sep><a>6:CF3</a> | |
117 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | C(N(C/C(N)=N/OC(=O)c1cc2c(NC3CCN(C)CC3)cccc2n1CC(F)(F)F)c1ccc(S(C)(=O)=O)cc1)(OC(C)(C)C)=O<sep> | |
118 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | C(c1ccc(C(=O)Nc2cc(OC)ncc2[N+](=O)[O-])c(Oc2ccc(F)cc2C)c1)(F)(F)F<sep> | |
119 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | O(c1cc(-c2nnc([C@H](Nc3ccc(C#N)c(Cl)c3C)[C@H](O[Si](C(C)(C)C)(C)C)C)o2)ccc1F)[Si](C(C)(C)C)(C)C<sep> | |
120 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | COCc1nn2ccnc(Nc3cc([C@H]4CC[C@@H](OC(=O)NC(C)C)C4)[nH]n3)c2c1C<sep> | |
121 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | Cc1cc2c(c(C)n1)OCCc1c-2[nH]c2ccc(C3CCN(Cc4c[nH]cn4)CC3)cc12.Cc1cc2c(c(C)n1)OCCc1c-2[nH]c2ccc(C3CCN(Cc4c[nH]cn4)CC3)cc12<sep> | |
122 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | O(CCOc1c(Br)ccc(F)c1F)[Si](C(C)(C)C)(C)C<sep> | |
123 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | O=C1NC(=O)C(N2C(=O)C3C(=CC(=CC=3)C(N[C@@H](C3CC3)C3=CC(F)=CC=C3)=O)C2)CC1<sep> | |
124 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | C=CC(*)[Si](*)(*)*<sep><a>3:R</a><a>5:Me</a><a>6:Me</a><a>7:Ph</a> | |
125 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | N#Cc1cn(CCCC#Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cn1<sep> | |
126 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | CC1=NN=NN1*<sep><a>6:<dum></a> | |
127 | <image>Please write the Extended SMILES (E-SMILES) of the given molecule image.
Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules:
The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readabl... | O=C1NC2C(=CC(=CC=2)F)SC1<sep> | |
128 | <image>How many double and triple and single bonds does this molecule have? | 1, 1, 12 | |
129 | <image>How many single bonds does this molecule have? | 16 | |
130 | <image>How many single bonds does this molecule have? | 16 | |
131 | <image>How many triple and single and double bonds does this molecule have? | 0, 21, 4 | |
132 | <image>How many single bonds does this molecule have? | 18 | |
133 | <image>How many O and N atoms are present in this molecule? | 2, 3 | |
134 | <image>How many N and O atoms are present in this molecule? | 3, 0 | |
135 | <image>How many O and N and C atoms are present in this molecule? | 5, 1, 16 | |
136 | <image>How many N atoms are present in this molecule? | 2 | |
137 | <image>How many N atoms are present in this molecule? | 1 | |
138 | <image>What is the molecular formula of this molecule? | C₂₂H₃₂N₂ | |
139 | <image>What is the molecular formula of this molecule? | C₁₄H₂₄N₄O₅ | |
140 | <image>What is the molecular formula of this molecule? | C₂₂H₂₈O₈ | |
141 | <image>What is the molecular formula of this molecule? | C₁₇H₂₉N₃O₂ | |
142 | <image>What is the molecular formula of this molecule? | C₁₇H₁₈ClN₃O₂ | |
143 | <image>What is the molecular formula of this molecule? | C₁₆H₂₃NO | |
144 | <image>What is the molecular formula of this molecule? | C₂₇H₃₂N₂O₂ | |
145 | <image>What is the molecular formula of this molecule? | C₆H₉N₃O₆ | |
146 | <image>What is the molecular formula of this molecule? | C₂₁H₂₀O₁₂ | |
147 | <image>What is the molecular formula of this molecule? | C₂₀H₁₈FN₃O₂ | |
148 | <image>How many hydrogen bond acceptors does this molecule have? | 8 | |
149 | <image>How many hydrogen bond acceptors does this molecule have? | 2 | |
150 | <image>How many hydrogen bond acceptors does this molecule have? | 3 | |
151 | <image>How many hydrogen bond acceptors does this molecule have? | 10 | |
152 | <image>How many hydrogen bond acceptors does this molecule have? | 5 | |
153 | <image>How many hydrogen bond acceptors does this molecule have? | 9 | |
154 | <image>How many hydrogen bond acceptors does this molecule have? | 2 | |
155 | <image>How many hydrogen bond donors does this molecule have? | 5 | |
156 | <image>How many hydrogen bond donors does this molecule have? | 2 | |
157 | <image>How many hydrogen bond donors does this molecule have? | 1 | |
158 | <image>How many hydrogen bond donors does this molecule have? | 1 | |
159 | <image>How many hydrogen bond donors does this molecule have? | 3 | |
160 | <image>How many hydrogen bond donors does this molecule have? | 1 | |
161 | <image>How many hydrogen bond donors does this molecule have? | 1 | |
162 | <image>How many hydrogen bond donors does this molecule have? | 0 | |
163 | <image>How many rotatable bonds does this molecule have? | 2 | |
164 | <image>How many rotatable bonds does this molecule have? | 8 | |
165 | <image>How many rings does this molecule have? | 2 | |
166 | <image>How many rings does this molecule have? | 2 | |
167 | <image>How many rings does this molecule have? | 3 | |
168 | <image>How many rings does this molecule have? | 2 | |
169 | <image>How many rings does this molecule have? | 3 | |
170 | <image>How many rings does this molecule have? | 3 | |
171 | <image>How many rings does this molecule have? | 2 | |
172 | <image>How many aromatic rings does this molecule have? | 3 | |
173 | <image>How many aromatic rings does this molecule have? | 0 | |
174 | <image>How many aromatic rings does this molecule have? | 0 | |
175 | <image>How many aromatic rings does this molecule have? | 2 | |
176 | <image>How many aromatic rings does this molecule have? | 4 | |
177 | <image>Which elements are contained in this molecule? | C, N, O | |
178 | <image>Which elements are contained in this molecule? | C, N, O | |
179 | <image>Which elements are contained in this molecule? | C, F, O | |
180 | <image>Does this molecule contain any chiral centers? If so, how many? | Yes, 4 | |
181 | <image>Does this molecule contain any chiral centers? If so, how many? | Yes, 1 | |
182 | <image>Does this molecule contain any chiral centers? If so, how many? | Yes, 5 | |
183 | <image>Does this molecule contain any chiral centers? If so, how many? | Yes, 9 | |
184 | <image>Does this molecule contain any chiral centers? If so, how many? | Yes, 2 | |
185 | <image>What is the exact molecular weight of this molecule? (Keep one decimal place.) | To calculate the exact monoisotopic mass of C₂₀H₂₇, we use the most abundant isotope masses for each element:
- C: 12.000000 × 20 = 240.000000
- H: 1.007825 × 27 = 27.211275
Adding these together:
12.000000×20 + 1.007825×27 = 267.211275 Da
Exact monoisotopic mass (keep one decimal place) of C₂₀H₂₇: 411.1 Da (Daltons... | |
186 | <image>Does this molecule contain a amide functional group? | No | |
187 | <image>Does this molecule contain a carboxylic acid functional group? | No | |
188 | <image>Does this molecule contain a ether functional group? | Yes | |
189 | <image>Does this molecule contain a primary amine functional group? | Yes | |
190 | <image>Does this molecule contain a ester functional group? | No | |
191 | <image>Does this molecule contain a aldehyde functional group? | No | |
192 | <image>Does this molecule contain a amide functional group? | Yes | |
193 | <image>Does this molecule contain a halogen functional group? | No | |
194 | <image>Does this molecule contain a ketone functional group? | No | |
195 | <image>Does this molecule contain a ether functional group? | Yes | |
196 | <image>Does this molecule contain a alcohol functional group? | Yes | |
197 | <image>Does this molecule contain a ketone functional group? | No | |
198 | <image>Does this molecule contain a ketone functional group? | No | |
199 | <image>Does this molecule contain a ketone functional group? | No | |
200 | <image>Does this molecule contain a halogen functional group? | Yes |
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