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You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C12H16N2O
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 12 atoms - Electronic Configuration: 2s22p2
N: 2 atoms -... | Yes | C1=CC=CC=C1CN2C(CC(C2)CN)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C15H15NO2
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 15 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | No | Cc1cccc(Nc2ccccc2C(O)=O)c1C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C32H39NO4
Total Rings: 4
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 32 atoms - Electronic Configuration: 2s22p2
O: 4 atoms -... | No | CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C14H13NO3
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 14 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | Yes | C1=CC=CC3=C1C2(C(NC(=O)CC2)=O)CCC3=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C21H41N5O7
Total Rings: 3
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
N: 5 atoms ... | No | CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(=CC[C@H]2N)CN)[C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C20H21NO
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 20 atoms - Electronic Configuration: 2s22p2
N: 1 atoms - ... | Yes | C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=CC(CN(C)C)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C18H25NO
Total Rings: 4
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
O: 1 atoms - ... | Yes | CC1C2Cc3ccc(O)cc3C1(C)CCN2CC4CC4 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C22H25NO2
Total Rings: 5
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | Yes | C5CC(CN1CCC(C1)c2ccccc2)c4ccc3OCOc3c4C5 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C13H22ClN5S
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 13 atoms - Electronic Configuration: 2s22p2
S: 1 atoms... | Yes | CSC1=C(N=C(N=C1N2CCN(C)CC2)NC(C)C)Cl | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C16H25NO
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
O: 1 atoms - ... | Yes | [C@]2(C1=CC(=CC=C1)O)([C@H](CN(C)CC2)C)CCC | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C19H18N4O5S3
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
S: 3 atom... | No | Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(O)=O)nn1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C20H20N6O9S
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 20 atoms - Electronic Configuration: 2s22p2
O: 9 atoms... | No | CO[C@]1(NC(=O)C(C(O)=O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(O)=O)CSc4nnnn4C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C21H29NO
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
O: 1 atoms - ... | Yes | C2=C(C(C1=CC=CC=C1)OCCN(C)C)C(=CC=C2)C(C)(C)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C26H29N3O6
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 26 atoms - Electronic Configuration: 2s22p2
O: 6 atoms ... | No | COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OCCN(C)Cc3ccccc3)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C16H21NO2
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | No | CC(C)NCC(O)COc1cccc2ccccc12 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C22H32O8
Total Rings: 3
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
O: 8 atoms - ... | Yes | [C@]23([C@@H]1[C@@H](C(=CO[C@H]1OC(=O)CC(C)C)COC(=O)CC(C)C)C[C@@H]2OC(=O)C)OC3 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C9H11NO
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 9 atoms - Electronic Configuration: 2s22p2
O: 1 atoms - El... | Yes | [C@@H](C(C1=CC=CC=C1)=O)(C)N | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C21H24Cl2N2O
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
N: 2 atom... | Yes | c1(ccccc1)[C@H](CN1CCCC1)N(C(=O)Cc1ccc(c(c1)Cl)Cl)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C9H16O4
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
O: 4 atoms - Electronic Configuration: 2s22p4
C: 9 atoms - El... | No | OC(=O)CCCCCCCC(O)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C16H21NO3
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | Yes | C1=C(C(=CC=C1C2CNC(C2)=O)OC)OC3CCCC3 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C26H31Cl2N5O3
Total Rings: 5
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 26 atoms - Electronic Configuration: 2s22p2
N: 5 ato... | No | CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C18H18N2
Total Rings: 4
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - ... | Yes | C4=C3[NH]C1=C(CCNC1CC2=CC=CC=C2)C3=CC=C4 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C12H13NO3
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 12 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | Yes | C1=CC(=CC=C1C(N2C(CCC2)=O)=O)OC | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C12H22N2O2
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 12 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C(C(N(C(\C=C\C)=O)CC)C(N(C)C)=O)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C6H14
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 6 atoms - Electronic Configuration: 2s22p2
Task Description... | Yes | CCCC(C)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C4H10O
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 4 atoms - Electronic Configuration: 2s22p2
O: 1 atoms - Ele... | Yes | CCOCC | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C26H35FO6
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 26 atoms - Electronic Configuration: 2s22p2
O: 6 atoms -... | Yes | [C@@]4(OC(=O)CCCC)(C3(C(C2C(C1(C(=CC(=O)C=C1)C(F)C2)C)C(O)C3)CC4)C)C(=O)CO | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C13H19NO2
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 13 atoms - Electronic Configuration: 2s22p2
O: 2 atoms -... | Yes | C1=CC=CC2=C1OC(CNCCCC)CO2 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C3H6N2O2
Total Rings: 1
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
N: 2 atoms - Electronic Configuration: 2s22p3
C: 3 atoms - E... | Yes | NC1CONC1=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C21H31N5O
Total Rings: 6
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
N: 5 atoms -... | Yes | C1=NC(=NC=C1)N5CCN(CCNC(C23CC4CC(C2)CC(C3)C4)=O)CC5 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C21H29NO
Total Rings: 4
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
O: 1 atoms - Electronic Configuration: 2s22p4
C: 21 atoms - ... | Yes | OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C15H17N3O3S
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 15 atoms - Electronic Configuration: 2s22p2
O: 3 atoms... | Yes | CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CS3)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C29H37ClFNO7
Total Rings: 5
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 29 atoms - Electronic Configuration: 2s22p2
O: 7 atom... | Yes | [C@H]23C([C@@]1(OC(O[C@@H]1C2)(C)C)C(=O)COC(=O)C)(CC(O)[C@@]4(F)C3CC(=C5C4(CCC(=C5)OCCCl)C)C#N)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C24H31N3O2
Total Rings: 5
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 24 atoms - Electronic Configuration: 2s22p2
N: 3 atoms ... | Yes | [C@@H]45N([C@@H](CC(NC(=O)C1=CN(C2=C(C1=O)C=CC=C2)C3CCCCC3)C4)CC5)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C21H26N2O2S2
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
N: 2 atom... | Yes | CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)[S](C)(=O)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C4H10O
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 4 atoms - Electronic Configuration: 2s22p2
O: 1 atoms - Ele... | Yes | CCOCC | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C19H24N2O
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 2 atoms -... | Yes | C1=CC=CC2=C1N(C3=C(CC2)C=CC=C3)CCC[N+](C)(C)[O-] | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C22H28N2O2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C1CN(CCC1)Cc1cccc(c1)OCCCNC(=O)c1ccccc1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C6H14O6
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
O: 6 atoms - Electronic Configuration: 2s22p4
C: 6 atoms - El... | No | OCC(O)C(O)C(O)C(O)CO | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C18H22N2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - ... | Yes | C1=CC=CC2=C1N(CC3=C(C2)C=CC=C3)CCCNC | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C3H7O4P
Total Rings: 1
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 3 atoms - Electronic Configuration: 2s22p2
P: 1 atoms - El... | Yes | [C@@H]1([P](O)(O)=O)[C@H](C)O1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C13H15NO2
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 13 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | Yes | C1=CC=CC=C1/C=C/C2C(NC(O2)(C)C)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C22H25Cl2N3OS2
Total Rings: 5
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
H: 1 atoms - Electronic Configuration: 1s1
Cl: 2 atoms... | Yes | [H+].[Cl-].Clc1ccc2Sc3ccccc3N(CCCN4CCC5(CC4)NC(=O)CS5)c2c1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C21H33NO
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
O: 1 atoms - ... | Yes | C1=CC=CC=C1CC2(C3(C(C)(C)C(C2)CC3)C)OCCN(C)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C25H32ClN5OS
Total Rings: 5
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 25 atoms - Electronic Configuration: 2s22p2
Cl: 1 ato... | Yes | C1=C(Cl)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN5CCN(CCN4C(N(C)CC4)=O)CC5 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C28H39FO5
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 28 atoms - Electronic Configuration: 2s22p2
O: 5 atoms -... | Yes | CCCCCC(=O)OCC(=O)C3C(C)CC4C2CC(F)C1=CC(=O)C=CC1(C)C2C(O)CC34C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C12H14N2O2
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 12 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C1=CC=CC=C1C2(N(C(=O)NC2=O)C)CC | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C5H8N2S
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
S: 1 atoms - Electronic Configuration: 3s23p4
C: 5 atoms - El... | Yes | s1c(ncc1)CCN | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C18H21ClN2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C3=C(C(N1CCN(C)CC1)C2=CC=CC=C2)C=CC(=C3)Cl | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C4H3ClF4O
Total Rings: 1
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 4 atoms - Electronic Configuration: 2s22p2
O: 1 atoms - ... | Yes | COC1(C(F)(F)C1(F)Cl)F | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C4H11NO3
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
N: 1 atoms - Electronic Configuration: 2s22p3
C: 4 atoms - E... | No | NC(CO)(CO)CO | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C26H38O6
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 26 atoms - Electronic Configuration: 2s22p2
O: 6 atoms - ... | Yes | [C@@]4(OC(=O)CCCC)(C3(C(C2C(C1(C(=CC(=O)CC1)CC2)C)C(O)C3)CC4)C)C(=O)CO | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C18H25NO
Total Rings: 4
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
O: 1 atoms - ... | Yes | COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C11H12N2O
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 11 atoms - Electronic Configuration: 2s22p2
N: 2 atoms -... | Yes | CN1N(C(=O)C=C1C)c2ccccc2 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C14H16N2O3
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 14 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C1=CC=CC=C1N2C(C(C(NC2=O)=O)(CC)CC)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C12H16ClNO3
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 12 atoms - Electronic Configuration: 2s22p2
N: 1 atoms... | Yes | CN(C)CCOC(=O)COc1ccc(Cl)cc1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C16H18FN3O3
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
N: 3 atoms... | No | CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCNCC3 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C10H13ClN2O3S
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 10 atoms - Electronic Configuration: 2s22p2
N: 2 ato... | No | CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C17H19N
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 17 atoms - Electronic Configuration: 2s22p2
N: 1 atoms - E... | Yes | CNC2CCC(c1ccccc1)c3ccccc23 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C8H13N3O4S
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 8 atoms - Electronic Configuration: 2s22p2
N: 3 atoms -... | Yes | C1=C([N](CC[S](CC)(=O)=O)C(=N1)C)[N+](=O)[O-] | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C32H32O13S
Total Rings: 8
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 32 atoms - Electronic Configuration: 2s22p2
O: 13 atoms... | Yes | COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5COC(OC5C(O)C4O)c6sccc6)c7cc8OCOc8cc27 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C20H22N2S
Total Rings: 6
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 20 atoms - Electronic Configuration: 2s22p2
N: 2 atoms -... | No | C1CN2CCC1C(C2)CN3c4ccccc4Sc5ccccc35 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C17H18N2O6S
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 17 atoms - Electronic Configuration: 2s22p2
S: 1 atoms... | No | CC1(C)S[C@@H]2[C@H](NC(=O)C(C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C11H17NO3
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 11 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | No | CC(C)NCC(O)c1ccc(O)c(O)c1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C5H8Cl3NO3
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 5 atoms - Electronic Configuration: 2s22p2
O: 3 atoms -... | Yes | C(OC(NC(C(Cl)(Cl)Cl)O)=O)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C19H21N
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 1 atoms - E... | Yes | C1=CC=CC3=C1C(C2=CC=CC=C2)(C=C3)CCN(C)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C29H31F2N3O
Total Rings: 5
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 29 atoms - Electronic Configuration: 2s22p2
N: 3 atoms... | Yes | C1=CC=CC=C1N2C5(C(NC2)=O)CCN(CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC5 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C11H15NO
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 11 atoms - Electronic Configuration: 2s22p2
N: 1 atoms - ... | Yes | C2=C(C1C(C)NCCO1)C=CC=C2 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C21H32O3
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
O: 3 atoms - ... | Yes | [C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)CC2=O)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C20H24Cl2N4O3
Total Rings: 4
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 20 atoms - Electronic Configuration: 2s22p2
Cl: 2 at... | No | c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[C@]2(CC1)NC(NC2=O)=O)CN1CCCC1)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C18H16N2O3
Total Rings: 3
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C1=CC(=NC2=C1C(C(=CN2CC)C(O)=O)=O)CC3=CC=CC=C3 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C8H12N2O3
Total Rings: 1
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 8 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - ... | Yes | C(C1(C(NC(=O)NC1=O)=O)CC)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C12H13N5OS
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
O: 1 atoms - Electronic Configuration: 2s22p4
C: 12 atoms ... | No | O=C(C)Nc1cc(c2csc(N=C(N)N)n2)ccc1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C26H24N2O
Total Rings: 4
Aromatic Rings: 4
Atomic Composition and Electronic Structure:
C: 26 atoms - Electronic Configuration: 2s22p2
N: 2 atoms -... | Yes | CCC(NC(=O)c1c(c(nc2c1cccc2)c1ccccc1)C)c1ccccc1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C6H8O6
Total Rings: 1
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 6 atoms - Electronic Configuration: 2s22p2
O: 6 atoms - Ele... | Yes | C(O)C(O)C1OC(=C(O)C1=O)O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C24H30N2O2
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 24 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C1=CC=CC=C1C2(C(CN(C2=O)CC)CCN3CCOCC3)C4=CC=CC=C4 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C13H18ClN3O
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 13 atoms - Electronic Configuration: 2s22p2
N: 3 atoms... | Yes | C2=C(N1C(N(CCN(C)C)CC1)=O)C=CC=C2Cl | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C18H21ClN2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
Cl: 1 atoms... | Yes | C1=C(Cl)C=CC3=C1C(C2=C(C=CC=C2)N3)CCCN(C)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C21H39N7O12
Total Rings: 3
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
N: 7 atoms... | No | CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O[C@@H](C)[C@]2(O)C=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C12H12N2O4S
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 12 atoms - Electronic Configuration: 2s22p2
N: 2 atoms... | Yes | C1=CC=CC3=C1C(N(C2C(NCCC2)=O)[S]3(=O)=O)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C12H13N
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 12 atoms - Electronic Configuration: 2s22p2
N: 1 atoms - E... | Yes | [C@@H]1(C2=C(CC1)C=CC=C2)NCC#C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C18H22N2S
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
N: 2 atoms -... | Yes | C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN(C)C)C | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C30H38F3N3O6S
Total Rings: 5
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
O: 6 atoms - Electronic Configuration: 2s22p4
C: 30 ato... | Yes | OC(=O)CCC(O)=O.FC(F)(F)c1ccc2Sc3ccccc3N(CCCN4CCN(CCC5OCCCO5)CC4)c2c1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C16H18N2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - ... | Yes | C1=CC=CC2=C1C(CC3=C(N2C)C=CC=C3)NC | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C13H22N4O3S
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 13 atoms - Electronic Configuration: 2s22p2
N: 4 atoms... | No | CNC(/NCCSCc1oc(CN(C)C)cc1)=C\[N+]([O-])=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C15H14FN3O3
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 15 atoms - Electronic Configuration: 2s22p2
O: 3 atoms... | Yes | CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C17H12Cl2N4
Total Rings: 4
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 17 atoms - Electronic Configuration: 2s22p2
N: 4 atoms... | Yes | Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C23H27N3O7
Total Rings: 4
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 23 atoms - Electronic Configuration: 2s22p2
N: 3 atoms ... | Yes | C1[C@@H]2[C@](C(=C3C(c4c(ccc(c4C[C@@H]13)N(C)C)O)=O)O)(C(C(C(N)=O)=C([C@H]2N(C)C)O)=O)O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C16H18N2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - ... | Yes | C1=CC=C(C3=C1C(C2=CC=CC=C2)CN(C)C3)N | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C13H19NO2
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 13 atoms - Electronic Configuration: 2s22p2
O: 2 atoms -... | Yes | [C@@H]2(OC1=C(C(=CC=C1)C)C)[C@@H](CNCC2)O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: CNa3O5P
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
Na: 3 atoms - Electronic Configuration: 3s13p0
O: 5 atoms - E... | Yes | [Na+].[Na+].[Na+].[O-]C(=O)[P]([O-])([O-])=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C20H24N2S2
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 20 atoms - Electronic Configuration: 2s22p2
S: 2 atoms ... | Yes | CSc1ccc2Sc3ccccc3N(CCC4CCCNC4)c2c1 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C19H24N3O5S+
Total Rings: 4
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 3 atom... | No | CC1(C)NC(C(=O)[NH+]1[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4ccc(O)cc4 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C14H11ClN2O4S
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
N: 2 atoms - Electronic Configuration: 2s22p3
S: 1 atom... | No | N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23 | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C14H11NO5
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 14 atoms - Electronic Configuration: 2s22p2
O: 5 atoms -... | No | Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C15H15Cl2N3O
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 15 atoms - Electronic Configuration: 2s22p2
N: 3 atom... | Yes | C3=C(C2=CC=C(N1CCC(O)CC1)N=N2)C(=CC(=C3)Cl)Cl | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C22H28O5
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
O: 5 atoms - ... | Yes | C(C(C3(C(CC4C2CCC1=CC(C=CC1(C)C2C(CC34C)O)=O)=C)O)=O)O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C23H22N2O6S
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 23 atoms - Electronic Configuration: 2s22p2
S: 1 atoms... | No | CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c4ccccc4)C(=O)N2[C@H]1C(O)=O | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C10H24N2O2
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 10 atoms - Electronic Configuration: 2s22p2
O: 2 atoms ... | No | CC[C@@H](CO)NCCN[C@@H](CC)CO | scaffold | 2 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C9H9Cl2N3
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
Cl: 2 atoms - Electronic Configuration: 3s23p5
C: 9 atoms -... | Yes | Clc1cccc(Cl)c1NC2=NCCN2 | scaffold | 2 | smiles |
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