Question stringlengths 745 1.57k | Answer stringclasses 2
values | TargetMolecule stringlengths 5 400 | SampleMethod stringclasses 1
value | SampleNum int64 2 2 | SampleRep stringclasses 1
value | image imagewidth (px) 300 300 |
|---|---|---|---|---|---|---|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Molecular Information:
Formula: C12H26N4O6
Total Rings: 2
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
N: 4 atoms - Electronic Configuration: 2s22p3
C: 12 atoms ... | No | NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O | 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: C17H20N2S
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 17 atoms - Electronic Configuration: 2s22p2
S: 1 atoms -... | Yes | C1=CSC2=C1N(C3=C(C=C2)C=CC=C3)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: C19H24N2OS
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | [C@H](CN1C3=C(SC2=C1C=CC=C2)C=CC(=C3)OC)(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: C6H10N2O2
Total Rings: 1
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 6 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - ... | Yes | C(N1C(CCC1)=O)C(N)=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: C33H40N2O9
Total Rings: 6
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 33 atoms - Electronic Configuration: 2s22p2
O: 9 atoms ... | Yes | CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6 | 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: C15H17N5S
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 15 atoms - Electronic Configuration: 2s22p2
N: 5 atoms -... | Yes | CN1CCN(CC1)C3=Nc2ccccc2Sc4nccn34 | 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: C22H17ClFN3O4
Total Rings: 4
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
N: 3 ato... | Yes | Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12.OC(=O)\C=C/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: C36H33N3O5
Total Rings: 5
Aromatic Rings: 5
Atomic Composition and Electronic Structure:
C: 36 atoms - Electronic Configuration: 2s22p2
N: 3 atoms ... | No | c1ccc2c(c(C(N[C@@H](CC)c3ccccc3)=O)c(OCCNC(Cc3c(cccc3)C(=O)O)=O)c(c3ccccc3)n2)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: C10H14N2O4S2
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 10 atoms - Electronic Configuration: 2s22p2
N: 2 atom... | Yes | C1=CC(=CC=C1N2[S](CCCC2)(=O)=O)[S](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: C14H18N2O2
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 14 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C1=CC=C(C(=C1C)NC(CN2C(CCC2)=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: C16H19NO2
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
O: 2 atoms -... | Yes | C2=C(OC(OC1=CC=CC=C1)CN(C)C)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: C25H33Cl2N5O2
Total Rings: 4
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
H: 1 atoms - Electronic Configuration: 1s1
C: 25 atoms ... | Yes | [H+].C4=C(N3CCN(CCCN1N=C(N(C1=O)CCOC2=CC=CC=C2)CC)CC3)C=CC=C4Cl.[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: C25H35N3O
Total Rings: 5
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 25 atoms - Electronic Configuration: 2s22p2
N: 3 atoms -... | Yes | [C@H]4(CC3C2=C1C(=C[N](C1=CC=C2)C(C)C)CC3N(C4)C)C(NC5CCCCC5)=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: C19H22N2O6S
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
O: 6 atoms... | No | CC(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)Cc3ccccc3)C2=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: C25H29I2NO3
Total Rings: 3
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 25 atoms - Electronic Configuration: 2s22p2
O: 3 atoms... | No | CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)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: C16H16N4O8S
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
O: 8 atoms... | Yes | CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)COC(N)=O)/c3occc3 | 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: C20H26N2O
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 20 atoms - Electronic Configuration: 2s22p2
N: 2 atoms -... | Yes | [C@H]3(CCCC1=C2C(=NC=C1)C=CC(=C2)OC)[C@@H](CNCC3)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: C14H18NO5-
Total Rings: 3
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 14 atoms - Electronic Configuration: 2s22p2
O: 5 atoms ... | No | COC1CCCC2C3C(C(C)O)C(=O)N3C(=C12)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: 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: C52H76O24
Total Rings: 8
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 52 atoms - Electronic Configuration: 2s22p2
O: 24 atoms ... | Yes | CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@](C)(O)[C@H](O)[C@@H](C)O8)[C@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)C(=O)[C@@H](O)[C@@H](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: C14H15N5O2
Total Rings: 4
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 14 atoms - Electronic Configuration: 2s22p2
N: 5 atoms ... | Yes | C2=C(C1=NOC(=N1)C)N=C3[N]2C4=C(C(=N3)OC)CCCC4 | 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: C27H27N5O9S3
Total Rings: 5
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 27 atoms - Electronic Configuration: 2s22p2
N: 5 atom... | No | CC(N)C(=O)OC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCC3=C(C)OC(=O)O3)CSc4sc(C)nn4)c5ccccc5 | 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: C21H23Cl2N3O
Total Rings: 3
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
N: 3 atom... | Yes | C3=C(C1=C([N]2C(=N1)C=CC(=C2)Cl)CC(N(CCC)CCC)=O)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: C17H20N2O5S
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 17 atoms - Electronic Configuration: 2s22p2
O: 5 atoms... | No | CC(Oc1ccccc1)C(=O)NC2C3SC(C)(C)C(N3C2=O)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: C19H21N5O2
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 5 atoms ... | Yes | CN1CCN(CC1)CC(=O)N2c3ccccc3C(=O)Nc4cccnc24 | 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: C19H29NO
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
O: 1 atoms - Electronic Configuration: 2s22p4
C: 19 atoms - ... | Yes | OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3 | 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: C22H23ClFNO2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
N: 1 atom... | Yes | C3=C(C(C2CCN(CCCC(C1=CC=C(F)C=C1)=O)CC2)=O)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: C40H63N3O4S2
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 40 atoms - Electronic Configuration: 2s22p2
S: 2 atom... | Yes | C1=C([S](N(C)C)(=O)=O)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCC(CCOC(CCCCCCCCCCCCCCC)=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: C9H14N2
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 9 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - El... | Yes | c1cc(CCN(C)C)ncc1 | 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: C21H28O2
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
O: 2 atoms - ... | Yes | C[C@@H]1CC2=C(CCC(=O)C2)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13 | 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: C5H8N4S
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 5 atoms - Electronic Configuration: 2s22p2
S: 1 atoms - El... | Yes | Cc1csc(n1)N=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: C20H30BrNO3
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
Br: 1 atoms - Electronic Configuration: higher configurat... | No | [Br-].CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 | 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: C9H14N2
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 9 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - El... | Yes | c1c(nccc1)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: C18H18ClNOS
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
Cl: 1 atom... | Yes | C1=C(Cl)C=CC2=C1C(=CC3=C(S2)C=CC=C3)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: C12H14N2
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 12 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - ... | Yes | C2=C(CC1=CN=C[NH]1)C(=C(C=C2)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: C14H16N2
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 14 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - ... | Yes | C1=C2C(=CC=C1)CCC(=C2)CC3=NCNC3 | 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: C22H22ClF4NO2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
N: 1 ato... | Yes | C1=C(C(=CC=C1C3(CCN(CCCC(C2=CC=C(F)C=C2)=O)CC3)O)Cl)C(F)(F)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: C21H28N2O5
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | CN(C)CCOC(C)(c1ccccc1)c2ccccn2.OC(=O)CCC(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: C18H14Cl4N2O
Total Rings: 3
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
Cl: 4 atoms - Electronic Configuration: 3s23p5
C: 18 ato... | No | Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)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: C9H13N3O5
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
N: 3 atoms - Electronic Configuration: 2s22p3
C: 9 atoms - ... | Yes | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O | 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: C2H2F4
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 2 atoms - Electronic Configuration: 2s22p2
F: 4 atoms - Ele... | Yes | C(C(F)(F)F)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: C23H31FO4
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 23 atoms - Electronic Configuration: 2s22p2
O: 4 atoms -... | Yes | [C@]23([C@H]([C@H]1[C@]([C@](C(CO)=O)(C)[C@@H](C1)C)(C)C[C@@H]2O)CCC4=CC(=O)C=C[C@]34C)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: C15H17N3O3S
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 15 atoms - Electronic Configuration: 2s22p2
N: 3 atoms... | Yes | CN1Cc2n(cnc2C(=O)OC(C)(C)C)c3ccsc3C1=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: C20H23N3O4
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
N: 3 atoms - Electronic Configuration: 2s22p3
C: 20 atoms ... | Yes | [N]12C(=CC=C1)C4N(C3=C(C2)C=CC=C3)CCN(C4)C.O=C(O)\C=C/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: C25H28N4O2S
Total Rings: 4
Aromatic Rings: 4
Atomic Composition and Electronic Structure:
C: 25 atoms - Electronic Configuration: 2s22p2
N: 4 atoms... | No | c1cc2c(cc(CC3=CNC(=NC3=O)NCCSCc3oc(cc3)CN(C)C)cc2)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: C19H28N4O2S
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 4 atoms... | Yes | [C@@H]34C1=CC=CC2=C1C(=C[NH]2)C[C@H]3N(C[C@H](C4)N[S](N(CC)CC)(=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: C18H21NO2
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | Yes | C1=C4C(=C2C(=C1)C=CC=C2)CC3CN(C)CC(C3(O4)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: C8H12N2
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 8 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - El... | Yes | c1cc(CCNC)ncc1 | 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: C19H28N4O2S
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 4 atoms... | Yes | c1(cc(nc(c1C)C)C(SC(CNc1c(cc[nH]1)[N+](=O)[O-])(C)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: C17H18Cl2N2O
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
H: 1 atoms - Electronic Configuration: 1s1
C: 17 atoms -... | Yes | [H+].C2=C1C(OC(=NC1=CC=C2Cl)NCC)(C3=CC=CC=C3)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: C19H20FN3
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 3 atoms -... | Yes | C1=CC=CC3=C1C(=NC2=C(C=CC(=C2)F)C3)N4CCN(C)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: C23H29N3OS
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 23 atoms - Electronic Configuration: 2s22p2
N: 3 atoms ... | Yes | c1ccc2N([C@H](CN3CCCC3)C)c3c(ccc(C(=O)NCCC)c3)Sc2c1 | 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: C24H26N6O5S
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 24 atoms - Electronic Configuration: 2s22p2
S: 1 atoms... | No | CC1(C)SC2C(N([C@H](C(=O)NC(=O)CN)c3ccccc3)C(=N)c4ccncc4)C(=O)N2C1C(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: C16H17BrN2
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | CN(C)C/C=C(/c1ccc(Br)cc1)c2cccnc2 | 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: C11H16N2O2
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 11 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C1=CC=CC=C1C(NNC(OCC)=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: C11H11NO2
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 11 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | Yes | C1=CC=CC=C1C2C(N(C)C(C2)=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: C22H26N6O2
Total Rings: 5
Aromatic Rings: 4
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
N: 6 atoms ... | Yes | C1=NC5=C([N]1CCN4CCC(C2=C[NH]C3=C2C=CC=C3)CC4)C(N(C)C(N5C)=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: C17H20N2O
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 17 atoms - Electronic Configuration: 2s22p2
N: 2 atoms -... | Yes | C1=CC=CC=C1C(CC2=CC=CC=C2)(NC(CN)=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: C13H24N2O2
Total Rings: 0
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 13 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C(C(N(C(\C=C\C)=O)CCC)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: C19H29NO5
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | No | CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)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: C38H72N2O12
Total Rings: 3
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 38 atoms - Electronic Configuration: 2s22p2
O: 12 atom... | No | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(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: C22H36O2
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
O: 2 atoms - ... | Yes | [C@H]13[C@@H]([C@@]2([C@@H](CC1)C[C@](O)(CC2)C)C)CC[C@]4([C@H]3CC[C@@H]4C(=O)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: C19H23ClN2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 19 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C1=CC(=CC=C1C(N2CCN(C)CCC2)C3=CC=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: C24H34O3
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 24 atoms - Electronic Configuration: 2s22p2
O: 3 atoms - ... | Yes | [C@H]12[C@@]([C@](C(CC)=O)(C)[C@@H](C1)C)(C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)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: C14H16Cl6O5
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 14 atoms - Electronic Configuration: 2s22p2
O: 5 atoms... | Yes | C1=CC=CC(=C1OCC(COC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)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: C22H28N2O2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
N: 2 atoms ... | Yes | C3=C(CCN1CCC(CC1)(C2=CC=CC=C2)C(OCC)=O)C=CC(=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: C14H16Cl6O5
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 14 atoms - Electronic Configuration: 2s22p2
O: 5 atoms... | Yes | C1=CC=CC(=C1OCC(COC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)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: 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: C12H18Cl3NO
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
H: 1 atoms - Electronic Configuration: 1s1
C: 12 atoms - ... | Yes | [H+].C1=C(CC(N(C)C)(CO)C)C=CC(=C1Cl)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: C16H13ClN2O4S
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 16 atoms - Electronic Configuration: 2s22p2
N: 2 ato... | Yes | C3=C(N2C(C(C1=CC=CC=C1)CC2=O)=O)C(=CC(=C3)[S](N)(=O)=O)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: C15H11ClN2O2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
O: 2 atoms - Electronic Configuration: 2s22p4
C: 15 atom... | Yes | OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=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: C18H22N2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
N: 2 atoms - ... | Yes | C1=CC=CC(=C1N2CCN(C)CC2)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: C17H19NO4
Total Rings: 5
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 17 atoms - Electronic Configuration: 2s22p2
N: 1 atoms -... | Yes | CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35 | 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: C9H9NO4
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
O: 4 atoms - Electronic Configuration: 2s22p4
C: 9 atoms - El... | Yes | OC(=O)CNC(=O)c1ccccc1O | 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: C15H21N
Total Rings: 3
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 15 atoms - Electronic Configuration: 2s22p2
N: 1 atoms - E... | Yes | C3=C(C1C(NCC)C2CC1CC2)C=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: C18H26N4O2S
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
N: 4 atoms... | Yes | [C@@H]34C1=CC=CC2=C1C(=C[N]2C)C[C@H]3N(C[C@H](C4)N[S](N(C)C)(=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: C8H9NO2
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 8 atoms - Electronic Configuration: 2s22p2
O: 2 atoms - El... | Yes | C1=C(C=CC=C1O)NC(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: C18H27Cl2NO2
Total Rings: 1
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 18 atoms - Electronic Configuration: 2s22p2
O: 2 atom... | Yes | C(=O)(OC(C)(C)C)CCCc1ccc(cc1)N(CCCl)CCCl | 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: C35H42N2O9
Total Rings: 6
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 35 atoms - Electronic Configuration: 2s22p2
O: 9 atoms ... | Yes | CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6 | 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: C22H25NO6
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 22 atoms - Electronic Configuration: 2s22p2
O: 6 atoms -... | No | COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(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: C33H37N5O5
Total Rings: 8
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 33 atoms - Electronic Configuration: 2s22p2
N: 5 atoms ... | No | CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=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: C15H11ClN2O2
Total Rings: 3
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
Cl: 1 atoms - Electronic Configuration: 3s23p5
C: 15 ato... | Yes | Clc1ccc2NC(=O)CC(=O)N(c3ccccc3)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: C11H12N2O3
Total Rings: 2
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 11 atoms - Electronic Configuration: 2s22p2
O: 3 atoms ... | Yes | C1=C(O)C=CC2=C1C(=C[NH]2)CC(C(O)=O)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: C12H20N2O2S
Total Rings: 1
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 12 atoms - Electronic Configuration: 2s22p2
N: 2 atoms... | Yes | C(C1(C(CCC)CC)C(NC(=S)NC1=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: C21H19NO
Total Rings: 4
Aromatic Rings: 3
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
N: 1 atoms - ... | Yes | C4=C(C(C2C(C1=CC=NC=C1)C2)(C3=CC=CC=C3)O)C=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: C21H41N5O11
Total Rings: 4
Aromatic Rings: 0
Atomic Composition and Electronic Structure:
C: 21 atoms - Electronic Configuration: 2s22p2
N: 5 atoms... | No | CN[C@H]1[C@@H](O)[C@H]2O[C@@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O | 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: C17H26N2O
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 17 atoms - Electronic Configuration: 2s22p2
N: 2 atoms -... | Yes | CCCN(CCC)CCc1ccc(c2c1CC(N2)=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: C27H33N3O8
Total Rings: 5
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 27 atoms - Electronic Configuration: 2s22p2
N: 3 atoms ... | Yes | CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(/O)NCN5CCCC5)C1=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: C10H13FN2O4
Total Rings: 2
Aromatic Rings: 1
Atomic Composition and Electronic Structure:
C: 10 atoms - Electronic Configuration: 2s22p2
N: 2 atoms... | Yes | CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=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: C17H19N3
Total Rings: 4
Aromatic Rings: 2
Atomic Composition and Electronic Structure:
C: 17 atoms - Electronic Configuration: 2s22p2
N: 3 atoms - ... | Yes | [C@@H]34CC1=C[NH]C2=CC=CC(=C12)C3C[C@@H](CN4C)CC#N | scaffold | 2 | smiles |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.