arcadianlee/Raven-reasoning-1.0
Text Generation • Updated
num_targets int64 7 10 | prompt stringlengths 473 624 | reference_smiles stringlengths 1 139 | source_input stringlengths 290 335 | source_instruction stringclasses 1
value | targets unknown |
|---|---|---|---|---|---|
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 37.41 GM; maximum two-photon absorption cross section close to 61.52 GM; toxicity ... | O=C(O)c1[nH]c2ccccc2c1O | The monomer compound has sigma of 37.41 GM at 780 nm, maximum sigma of 61.52 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5279, SA score of 0.3566, boiling point of 454.26 °C, logP of 1.572, aromaticity of 1, solubility of 10.68 ug/mol, molecular weight of 177.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 454.26,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 10.68,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.572,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 43.51 GM; maximum two-photon absorption cross section close to 56.55 GM; toxicity ... | CCOc1cccc(C(=O)O)c1O | The monomer compound has sigma of 43.51 GM at 780 nm, maximum sigma of 56.55 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.4838, SA score of 0.4836, boiling point of 412.58 °C, logP of 1.489, aromaticity of 1, solubility of 202.34 ug/mol, molecular weight of 182.18 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 412.58,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 202.34,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.48899... |
7 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 137.51 GM; maximum two-photon absorption cross section close to 225.61 GM; toxicit... | O=C(Cl)c1ccc(S(=O)(=O)c2ccc(C(=O)Cl)cc2)cc1 | The monomer compound has sigma of 137.51 GM at 780 nm, maximum sigma of 225.61 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.7002, SA score of 0.3614, boiling point of °C, logP of 3.277, aromaticity of 1, solubility of ug/mol, molecular weight of 343.19 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 3.277,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 225.61,
"weight": 1.5
},
"molecular_weight": {
"scale": 75,
"target": 343... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 114.19 GM; maximum two-photon absorption cross section close to 134.39 GM; intersy... | OC12CC1C1CC1CC2 | The monomer compound has sigma of 114.19 GM at 780 nm, maximum sigma of 134.39 GM, absorption wavelength range of 600-840 nm, ISC of 0.1927 eV, toxicity score of 0.6662, SA score of 0.0280, boiling point of 213.19 °C, logP of 1.167, aromaticity of 0, solubility of 33951.75 ug/mol, molecular weight of 124.18 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 213.19,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 33951.75,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 183.98 GM; maximum two-photon absorption cross section close to 253.35 GM; toxicit... | CC(=O)C=Cc1cc(C)c(Cl)cc1C | The monomer compound has sigma of 183.98 GM at 780 nm, maximum sigma of 253.35 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.6162, SA score of 0.2774, boiling point of 338.09 °C, logP of 3.559, aromaticity of 1, solubility of 80.25 ug/mol, molecular weight of 208.69 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 338.09,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 80.25,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 3.559,
... |
7 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 4.14 GM; maximum two-photon absorption cross section close to 5.64 GM; toxicity sc... | O=S(=O)(Cl)Cc1c(Br)cccc1Br | The monomer compound has sigma of 4.145 GM at 780 nm, maximum sigma of 5.642 GM, absorption wavelength range of 600-620; 820-830 nm, ISC of eV, toxicity score of 0.7332, SA score of 0.1970, boiling point of °C, logP of 3.280, aromaticity of 1, solubility of ug/mol, molecular weight of 348.44 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 3.2800000000000002,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 5.642,
"weight": 1.5
},
"molecular_weight": {
"scale": 75,
"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 116.84 GM; maximum two-photon absorption cross section close to 136.23 GM; intersy... | CCOCC1=NNC=C1 | The monomer compound has sigma of 116.84 GM at 780 nm, maximum sigma of 136.23 GM, absorption wavelength range of 600-840 nm, ISC of 0.2035 eV, toxicity score of 0.5062, SA score of 0.0989, boiling point of 211.65 °C, logP of 0.9462, aromaticity of 1, solubility of 12095.34 ug/mol, molecular weight of 126.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 211.65,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 12095.34,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 319.24 GM; maximum two-photon absorption cross section close to 335.51 GM; intersy... | CCC1CN2CC2C1O | The monomer compound has sigma of 319.24 GM at 780 nm, maximum sigma of 335.51 GM, absorption wavelength range of 600-840 nm, ISC of 0.2065 eV, toxicity score of 0.5377, SA score of 0.0387, boiling point of 195.77 °C, logP of 0.0713, aromaticity of 0, solubility of ug/mol, molecular weight of 127.19 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 195.77,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.20650000000000002,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 0.0713... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 72.01 GM; maximum two-photon absorption cross section close to 84.59 GM; intersyst... | CCC12CC1CC2(C)C | The monomer compound has sigma of 72.01 GM at 780 nm, maximum sigma of 84.59 GM, absorption wavelength range of 600-840 nm, ISC of 0.1984 eV, toxicity score of 0.6757, SA score of 0.0360, boiling point of 137.39 °C, logP of 2.833, aromaticity of 0, solubility of ug/mol, molecular weight of 124.23 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 137.39,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.19840000000000002,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 2.833,... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 120.12 GM; maximum two-photon absorption cross section close to 140.38 GM; intersy... | OCC12CC(O)(C1)C2=O | The monomer compound has sigma of 120.12 GM at 780 nm, maximum sigma of 140.38 GM, absorption wavelength range of 600-840 nm, ISC of 0.1267 eV, toxicity score of 0.5857, SA score of 0.0345, boiling point of 325.60 °C, logP of -0.9273, aromaticity of 0, solubility of 296510.90 ug/mol, molecular weight of 128.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 325.6,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 296510.9,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target":... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 64.67 GM; maximum two-photon absorption cross section close to 92.71 GM; intersyst... | CC1=NC2=C(O1)C=CN2 | The monomer compound has sigma of 64.67 GM at 780 nm, maximum sigma of 92.71 GM, absorption wavelength range of 600-840 nm, ISC of 0.1707 eV, toxicity score of 0.4309, SA score of 0.1065, boiling point of 236.71 °C, logP of 1.464, aromaticity of 1, solubility of 1064.61 ug/mol, molecular weight of 122.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 236.71,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 1064.61,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target":... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 167.44 GM; maximum two-photon absorption cross section close to 218.54 GM; toxicit... | CC(N)=C1C(=O)OC(C)(C)OC1=O | The monomer compound has sigma of 167.44 GM at 780 nm, maximum sigma of 218.54 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5823, SA score of 0.1245, boiling point of 307.69 °C, logP of 0.0552, aromaticity of 0, solubility of 125282.88 ug/mol, molecular weight of 185.18 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 307.69,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 125282.88,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 0.05... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 74.51 GM; maximum two-photon absorption cross section close to 94.05 GM; intersyst... | CCC12C=CCC1C2O | The monomer compound has sigma of 74.51 GM at 780 nm, maximum sigma of 94.05 GM, absorption wavelength range of 600-840 nm, ISC of 0.1761 eV, toxicity score of 0.5863, SA score of 0.0311, boiling point of 209.88 °C, logP of 1.333, aromaticity of 0, solubility of ug/mol, molecular weight of 124.18 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 209.88,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1761,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.333,
"weight"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 113.82 GM; maximum two-photon absorption cross section close to 134.56 GM; intersy... | COC(C)C1=CNN=C1 | The monomer compound has sigma of 113.82 GM at 780 nm, maximum sigma of 134.56 GM, absorption wavelength range of 600-840 nm, ISC of 0.2006 eV, toxicity score of 0.4834, SA score of 0.0812, boiling point of 211.21 °C, logP of 1.117, aromaticity of 1, solubility of 11527.05 ug/mol, molecular weight of 126.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 211.21,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 11527.05,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 282.42 GM; maximum two-photon absorption cross section close to 293.74 GM; intersy... | NC(=O)C1(CC#N)CN1 | The monomer compound has sigma of 282.42 GM at 780 nm, maximum sigma of 293.74 GM, absorption wavelength range of 600-840 nm, ISC of 0.1762 eV, toxicity score of 0.5202, SA score of 0.0406, boiling point of 324.86 °C, logP of -1.273, aromaticity of 0, solubility of 173734.04 ug/mol, molecular weight of 125.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 324.86,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 173734.04,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 74.51 GM; maximum two-photon absorption cross section close to 94.05 GM; toxicity ... | C=CCNCC1(O)CCCCC1 | The monomer compound has sigma of 74.51 GM at 780 nm, maximum sigma of 94.05 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5669, SA score of 0.1917, boiling point of 314.07 °C, logP of 1.457, aromaticity of 0, solubility of 12539.35 ug/mol, molecular weight of 169.27 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 314.07,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 12539.35,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.457... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 317.12 GM; maximum two-photon absorption cross section close to 329.63 GM; intersy... | CCOC1(CC1)C1CO1 | The monomer compound has sigma of 317.12 GM at 780 nm, maximum sigma of 329.63 GM, absorption wavelength range of 600-840 nm, ISC of 0.1713 eV, toxicity score of 0.7139, SA score of 0.0571, boiling point of 149.70 °C, logP of 0.9543, aromaticity of 0, solubility of ug/mol, molecular weight of 128.17 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 149.7,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1713,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 0.9543,
"weight"... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 112.43 GM; maximum two-photon absorption cross section close to 134.56 GM; toxicit... | ClCC1(C2CCCCO2)CC1 | The monomer compound has sigma of 112.43 GM at 780 nm, maximum sigma of 134.56 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.7401, SA score of 0.0779, boiling point of 223.28 °C, logP of 2.575, aromaticity of 0, solubility of ug/mol, molecular weight of 174.67 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 223.28,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 2.575,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 134.5... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 101.22 GM; maximum two-photon absorption cross section close to 120.64 GM; intersy... | CN1C=C(C)COC1=O | The monomer compound has sigma of 101.22 GM at 780 nm, maximum sigma of 120.64 GM, absorption wavelength range of 600-840 nm, ISC of 0.1873 eV, toxicity score of 0.5241, SA score of 0.0800, boiling point of 149.94 °C, logP of 0.9722, aromaticity of 0, solubility of ug/mol, molecular weight of 127.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 149.94,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.18730000000000002,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 0.9722... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 88.90 GM; maximum two-photon absorption cross section close to 107.80 GM; intersys... | OCC1=CC(C=O)=CN1 | The monomer compound has sigma of 88.90 GM at 780 nm, maximum sigma of 107.80 GM, absorption wavelength range of 600-840 nm, ISC of 0.1378 eV, toxicity score of 0.5258, SA score of 0.0995, boiling point of °C, logP of 0.3195, aromaticity of 1, solubility of ug/mol, molecular weight of 125.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1378,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 0.3195,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 107.8,
... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 289.49 GM; maximum two-photon absorption cross section close to 301.09 GM; intersy... | CC1(O)CC(C1)C(N)=O | The monomer compound has sigma of 289.49 GM at 780 nm, maximum sigma of 301.09 GM, absorption wavelength range of 600-840 nm, ISC of 0.1760 eV, toxicity score of 0.5618, SA score of 0.1802, boiling point of 288.89 °C, logP of -0.3673, aromaticity of 0, solubility of 254228.76 ug/mol, molecular weight of 129.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 288.89,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 254228.76,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 74.51 GM; maximum two-photon absorption cross section close to 94.05 GM; toxicity ... | C#CC(C)(C)N1CC(C(F)(F)F)C1 | The monomer compound has sigma of 74.51 GM at 780 nm, maximum sigma of 94.05 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5191, SA score of 0.0876, boiling point of 133.02 °C, logP of 1.892, aromaticity of 0, solubility of ug/mol, molecular weight of 191.20 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 133.02,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.892,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 94.05... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 114.19 GM; maximum two-photon absorption cross section close to 133.74 GM; intersy... | CC1CC(C)(C)OC1C | The monomer compound has sigma of 114.19 GM at 780 nm, maximum sigma of 133.74 GM, absorption wavelength range of 600-840 nm, ISC of 0.1969 eV, toxicity score of 0.6602, SA score of 0.0562, boiling point of 142.62 °C, logP of 2.210, aromaticity of 0, solubility of ug/mol, molecular weight of 128.22 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 142.62,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.19690000000000002,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 2.21,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 314.52 GM; maximum two-photon absorption cross section close to 330.80 GM; toxicit... | C1CN2CCC1C1(CO1)C2 | The monomer compound has sigma of 314.52 GM at 780 nm, maximum sigma of 330.80 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5866, SA score of 0.0278, boiling point of 174.01 °C, logP of 0.4810, aromaticity of 0, solubility of 171764.34 ug/mol, molecular weight of 139.20 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 174.01,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 171764.34,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 0.48... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 263.42 GM; maximum two-photon absorption cross section close to 269.55 GM; intersy... | CCCC1C2C3CN3C12 | The monomer compound has sigma of 263.42 GM at 780 nm, maximum sigma of 269.55 GM, absorption wavelength range of 600-840 nm, ISC of 0.1669 eV, toxicity score of 0.5638, SA score of 0.0188, boiling point of 120.40 °C, logP of 1.099, aromaticity of 0, solubility of ug/mol, molecular weight of 123.20 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 120.4,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.16690000000000002,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.099,
... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 60.67 GM; maximum two-photon absorption cross section close to 96.08 GM; intersyst... | O=CC1=CC=C(N1)C=O | The monomer compound has sigma of 60.67 GM at 780 nm, maximum sigma of 96.08 GM, absorption wavelength range of 600-840 nm, ISC of 0.1335 eV, toxicity score of 0.6274, SA score of 0.0984, boiling point of °C, logP of 0.6397, aromaticity of 1, solubility of ug/mol, molecular weight of 123.11 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1335,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 0.6397,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 96.08,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 113.88 GM; maximum two-photon absorption cross section close to 134.77 GM; toxicit... | CC(C)C1=CCC(C(=O)O)C(C(=O)O)C1 | The monomer compound has sigma of 113.88 GM at 780 nm, maximum sigma of 134.77 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.6131, SA score of 0.0892, boiling point of 487.73 °C, logP of 1.764, aromaticity of 0, solubility of 95.64 ug/mol, molecular weight of 212.25 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 487.73,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 95.64,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.764,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 47.60 GM; maximum two-photon absorption cross section close to 85.29 GM; toxicity ... | O=C(O)c1cc(F)ccc1CO | The monomer compound has sigma of 47.60 GM at 780 nm, maximum sigma of 85.29 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.4063, SA score of 0.4232, boiling point of 383.09 °C, logP of 1.016, aromaticity of 1, solubility of 2898.70 ug/mol, molecular weight of 170.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 383.09,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 2898.7,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.016,
... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 8.05 GM; maximum two-photon absorption cross section close to 10.02 GM; toxicity s... | C=C(CN)Cc1ccccc1 | The monomer compound has sigma of 8.054 GM at 780 nm, maximum sigma of 10.02 GM, absorption wavelength range of 600-610; 820-840 nm, ISC of eV, toxicity score of 0.5151, SA score of 0.3280, boiling point of 251.02 °C, logP of 1.744, aromaticity of 1, solubility of ug/mol, molecular weight of 147.22 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 251.02,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.744,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 10.02... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 28.49 GM; maximum two-photon absorption cross section close to 53.60 GM; toxicity ... | CCOC(=O)c1cc(Br)cc(C#N)c1Br | The monomer compound has sigma of 28.49 GM at 780 nm, maximum sigma of 53.60 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.4977, SA score of 0.2421, boiling point of 489.49 °C, logP of 3.260, aromaticity of 1, solubility of 12.89 ug/mol, molecular weight of 332.98 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 489.49,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 12.89,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 3.26,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 376.52 GM; maximum two-photon absorption cross section close to 671.46 GM; toxicit... | N#CC(=Cc1ccc(F)cc1)c1ccc(C#N)cc1 | The monomer compound has sigma of 376.52 GM at 780 nm, maximum sigma of 671.46 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.6186, SA score of 0.3562, boiling point of 563.32 °C, logP of 3.762, aromaticity of 1, solubility of 6.606 ug/mol, molecular weight of 248.26 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 563.32,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 6.606,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 3.762,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 120.12 GM; maximum two-photon absorption cross section close to 140.38 GM; intersy... | COC1CC2OC12C=O | The monomer compound has sigma of 120.12 GM at 780 nm, maximum sigma of 140.38 GM, absorption wavelength range of 600-840 nm, ISC of 0.1276 eV, toxicity score of 0.6375, SA score of 0.0197, boiling point of 166.54 °C, logP of -0.2584, aromaticity of 0, solubility of ug/mol, molecular weight of 128.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 166.54,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.12760000000000002,
"weight": 1
},
"log_p": {
"scale": 1,
"target": -0.258... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 77.52 GM; maximum two-photon absorption cross section close to 127.41 GM; intersys... | CCC(CO)C(=O)C#N | The monomer compound has sigma of 77.52 GM at 780 nm, maximum sigma of 127.41 GM, absorption wavelength range of 600-840 nm, ISC of 0.1389 eV, toxicity score of 0.7199, SA score of 0.0746, boiling point of 311.42 °C, logP of 0.0976, aromaticity of 0, solubility of 404587.49 ug/mol, molecular weight of 127.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 311.42,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 404587.49,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 117.59 GM; maximum two-photon absorption cross section close to 137.73 GM; intersy... | O=C1OC2OC1C=C2 | The monomer compound has sigma of 117.59 GM at 780 nm, maximum sigma of 137.73 GM, absorption wavelength range of 600-840 nm, ISC of 0.1777 eV, toxicity score of 0.7035, SA score of 0.0100, boiling point of 134.39 °C, logP of -0.1757, aromaticity of 0, solubility of ug/mol, molecular weight of 112.08 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 134.39,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1777,
"weight": 1
},
"log_p": {
"scale": 1,
"target": -0.1757,
"weigh... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 3.36 GM; maximum two-photon absorption cross section close to 4.71 GM; toxicity sc... | Cc1cc(Br)cc(CO)c1Br | The monomer compound has sigma of 3.361 GM at 780 nm, maximum sigma of 4.707 GM, absorption wavelength range of 600; 810-840 nm, ISC of eV, toxicity score of 0.6420, SA score of 0.2554, boiling point of 375.61 °C, logP of 3.012, aromaticity of 1, solubility of 93.99 ug/mol, molecular weight of 279.96 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 375.61,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 93.99,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 3.012,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 120.12 GM; maximum two-photon absorption cross section close to 140.38 GM; intersy... | CC1C2C3CC3C12C=O | The monomer compound has sigma of 120.12 GM at 780 nm, maximum sigma of 140.38 GM, absorption wavelength range of 600-840 nm, ISC of 0.1338 eV, toxicity score of 0.5758, SA score of 0.0160, boiling point of 156.46 °C, logP of 1.087, aromaticity of 0, solubility of ug/mol, molecular weight of 122.17 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 156.46,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1338,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.087,
"weight"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 88.07 GM; maximum two-photon absorption cross section close to 113.90 GM; intersys... | OC1CC2C3CC1C2O3 | The monomer compound has sigma of 88.07 GM at 780 nm, maximum sigma of 113.90 GM, absorption wavelength range of 600-840 nm, ISC of 0.2022 eV, toxicity score of 0.6169, SA score of 0.0098, boiling point of 212.35 °C, logP of 0.1545, aromaticity of 0, solubility of 477424.24 ug/mol, molecular weight of 126.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 212.35,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 477424.24,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 110.70 GM; maximum two-photon absorption cross section close to 132.62 GM; intersy... | CC1CCC2OC2C1 | The monomer compound has sigma of 110.70 GM at 780 nm, maximum sigma of 132.62 GM, absorption wavelength range of 600-840 nm, ISC of 0.2127 eV, toxicity score of 0.7175, SA score of 0.0898, boiling point of 126.64 °C, logP of 1.574, aromaticity of 0, solubility of ug/mol, molecular weight of 112.17 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 126.64,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.2127,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.574,
"weight"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 200.17 GM; maximum two-photon absorption cross section close to 284.75 GM; intersy... | CC12OC3(C)CC1C23O | The monomer compound has sigma of 200.17 GM at 780 nm, maximum sigma of 284.75 GM, absorption wavelength range of 600-840 nm, ISC of 0.1716 eV, toxicity score of 0.5904, SA score of 0.0148, boiling point of 209.20 °C, logP of 0.2986, aromaticity of 0, solubility of 50699.59 ug/mol, molecular weight of 126.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 209.2,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 50699.59,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target":... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 118.10 GM; maximum two-photon absorption cross section close to 139.76 GM; toxicit... | CC(CO)CC1CCCCO1 | The monomer compound has sigma of 118.10 GM at 780 nm, maximum sigma of 139.76 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.6579, SA score of 0.1265, boiling point of 270.61 °C, logP of 1.574, aromaticity of 0, solubility of ug/mol, molecular weight of 158.24 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 270.61,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.574,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 139.7... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 8.05 GM; maximum two-photon absorption cross section close to 10.02 GM; toxicity s... | CC(O)C(NC(=O)OCc1ccccc1)C(=O)O | The monomer compound has sigma of 8.054 GM at 780 nm, maximum sigma of 10.02 GM, absorption wavelength range of 600-610; 820-840 nm, ISC of eV, toxicity score of 0.3703, SA score of 0.2414, boiling point of 572.89 °C, logP of 0.7468, aromaticity of 1, solubility of 1148.04 ug/mol, molecular weight of 253.25 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 572.89,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 1148.04,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 0.7468... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 71.89 GM; maximum two-photon absorption cross section close to 84.01 GM; intersyst... | CC1(OC1C1CN1)C#N | The monomer compound has sigma of 71.89 GM at 780 nm, maximum sigma of 84.01 GM, absorption wavelength range of 600-840 nm, ISC of 0.1925 eV, toxicity score of 0.5491, SA score of 0.0185, boiling point of 250.36 °C, logP of -0.3607, aromaticity of 0, solubility of 138370.09 ug/mol, molecular weight of 124.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 250.36,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 138370.09,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 114.19 GM; maximum two-photon absorption cross section close to 133.74 GM; intersy... | C1C2CCC3CCC12O3 | The monomer compound has sigma of 114.19 GM at 780 nm, maximum sigma of 133.74 GM, absorption wavelength range of 600-840 nm, ISC of 0.1917 eV, toxicity score of 0.7278, SA score of 0.0105, boiling point of 156.90 °C, logP of 1.718, aromaticity of 0, solubility of ug/mol, molecular weight of 124.18 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 156.9,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1917,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.718,
"weight":... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 74.64 GM; maximum two-photon absorption cross section close to 121.97 GM; intersys... | CC(C)COC(=O)C#C | The monomer compound has sigma of 74.64 GM at 780 nm, maximum sigma of 121.97 GM, absorption wavelength range of 600-840 nm, ISC of 0.1768 eV, toxicity score of 0.7616, SA score of 0.1475, boiling point of 134.51 °C, logP of 0.8188, aromaticity of 0, solubility of ug/mol, molecular weight of 126.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 134.51,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1768,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 0.8188000000000001,... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 18.62 GM; maximum two-photon absorption cross section close to 21.70 GM; toxicity ... | C#CCc1ccccc1CC | The monomer compound has sigma of 18.62 GM at 780 nm, maximum sigma of 21.70 GM, absorption wavelength range of 810-840 nm, ISC of eV, toxicity score of 0.6340, SA score of 0.2952, boiling point of 199.91 °C, logP of 2.425, aromaticity of 1, solubility of ug/mol, molecular weight of 144.22 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 199.91,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 2.425,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 21.7,... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 250.83 GM; maximum two-photon absorption cross section close to 262.20 GM; intersy... | CC1(C)NC11CNC1=O | The monomer compound has sigma of 250.83 GM at 780 nm, maximum sigma of 262.20 GM, absorption wavelength range of 600-840 nm, ISC of 0.1761 eV, toxicity score of 0.5037, SA score of 0.0244, boiling point of 242.61 °C, logP of -0.7632, aromaticity of 0, solubility of 28328.15 ug/mol, molecular weight of 126.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 242.61,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 28328.15,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 108.02 GM; maximum two-photon absorption cross section close to 136.54 GM; intersy... | CC1COC(=NC1)C#C | The monomer compound has sigma of 108.02 GM at 780 nm, maximum sigma of 136.54 GM, absorption wavelength range of 600-840 nm, ISC of 0.1846 eV, toxicity score of 0.6107, SA score of 0.0241, boiling point of 181.07 °C, logP of 0.6844, aromaticity of 0, solubility of 69767.32 ug/mol, molecular weight of 123.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 181.07,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 69767.32,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 114.78 GM; maximum two-photon absorption cross section close to 141.73 GM; intersy... | CC1C2C3OCC3C12C | The monomer compound has sigma of 114.78 GM at 780 nm, maximum sigma of 141.73 GM, absorption wavelength range of 600-840 nm, ISC of 0.1716 eV, toxicity score of 0.6611, SA score of 0.0190, boiling point of 139.02 °C, logP of 1.287, aromaticity of 0, solubility of ug/mol, molecular weight of 124.18 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 139.02,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1716,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.287,
"weight"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 74.33 GM; maximum two-photon absorption cross section close to 90.15 GM; intersyst... | CC(C)(O)C1=NON=C1 | The monomer compound has sigma of 74.33 GM at 780 nm, maximum sigma of 90.15 GM, absorption wavelength range of 600-840 nm, ISC of 0.1952 eV, toxicity score of 0.5448, SA score of 0.0739, boiling point of 287.40 °C, logP of 0.2970, aromaticity of 1, solubility of 32385.77 ug/mol, molecular weight of 128.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 287.4,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 32385.77,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target":... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 140.35 GM; maximum two-photon absorption cross section close to 171.00 GM; toxicit... | C=C(CC(=O)N1CCOCC1)C(=O)N1CCOCC1 | The monomer compound has sigma of 140.35 GM at 780 nm, maximum sigma of 171.00 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5104, SA score of 0.2020, boiling point of 446.87 °C, logP of -0.3497, aromaticity of 0, solubility of 74497.50 ug/mol, molecular weight of 268.31 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 446.87,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 74497.5,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": -0.349... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 115.91 GM; maximum two-photon absorption cross section close to 141.82 GM; intersy... | COC1(COC1=O)C#C | The monomer compound has sigma of 115.91 GM at 780 nm, maximum sigma of 141.82 GM, absorption wavelength range of 600-840 nm, ISC of 0.1621 eV, toxicity score of 0.5700, SA score of 0.0294, boiling point of 137.20 °C, logP of -0.4384, aromaticity of 0, solubility of ug/mol, molecular weight of 126.11 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 137.2,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1621,
"weight": 1
},
"log_p": {
"scale": 1,
"target": -0.4384,
"weight... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 66.31 GM; maximum two-photon absorption cross section close to 85.41 GM; intersyst... | CCC#CC#CC1CO1 | The monomer compound has sigma of 66.31 GM at 780 nm, maximum sigma of 85.41 GM, absorption wavelength range of 600-840 nm, ISC of 0.1643 eV, toxicity score of 0.7042, SA score of 0.0297, boiling point of 161.18 °C, logP of 0.8020, aromaticity of 0, solubility of 4930.91 ug/mol, molecular weight of 120.15 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 161.18,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 4930.91,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target":... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 254.01 GM; maximum two-photon absorption cross section close to 265.52 GM; toxicit... | C#CCCC(=O)NCCOC | The monomer compound has sigma of 254.01 GM at 780 nm, maximum sigma of 265.52 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5587, SA score of 0.2591, boiling point of 226.07 °C, logP of 0.1624, aromaticity of 0, solubility of 196283.29 ug/mol, molecular weight of 155.20 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 226.07,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 196283.29,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 0.16... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 11.20 GM; maximum two-photon absorption cross section close to 14.14 GM; toxicity ... | C=CCNCc1cccc(OC)c1Cl | The monomer compound has sigma of 11.20 GM at 780 nm, maximum sigma of 14.14 GM, absorption wavelength range of 600-620; 810-820 nm, ISC of eV, toxicity score of 0.4452, SA score of 0.3072, boiling point of 321.47 °C, logP of 2.624, aromaticity of 1, solubility of 631.84 ug/mol, molecular weight of 211.69 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 321.47,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 631.84,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 2.624,
... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 261.55 GM; maximum two-photon absorption cross section close to 376.15 GM; toxicit... | OCC1COC2C(CO)COC12 | The monomer compound has sigma of 261.55 GM at 780 nm, maximum sigma of 376.15 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.6459, SA score of 0.0343, boiling point of 360.43 °C, logP of -0.9990, aromaticity of 0, solubility of ug/mol, molecular weight of 174.20 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 360.43,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": -0.999,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 376.... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 88.33 GM; maximum two-photon absorption cross section close to 111.19 GM; intersys... | CN=C1CCCC(=O)O1 | The monomer compound has sigma of 88.33 GM at 780 nm, maximum sigma of 111.19 GM, absorption wavelength range of 600-840 nm, ISC of 0.1725 eV, toxicity score of 0.6116, SA score of 0.0721, boiling point of 216.79 °C, logP of 0.7418, aromaticity of 0, solubility of ug/mol, molecular weight of 127.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 216.79,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.17250000000000001,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 0.7418... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 309.95 GM; maximum two-photon absorption cross section close to 331.53 GM; intersy... | C1C23CCOC12C1NC31 | The monomer compound has sigma of 309.95 GM at 780 nm, maximum sigma of 331.53 GM, absorption wavelength range of 600-840 nm, ISC of 0.1257 eV, toxicity score of 0.6332, SA score of 0.0100, boiling point of 176.74 °C, logP of -0.1104, aromaticity of 0, solubility of 47714.68 ug/mol, molecular weight of 123.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 176.74,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 47714.68,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 213.47 GM; maximum two-photon absorption cross section close to 284.43 GM; intersy... | CC12OC1C1OC21CO | The monomer compound has sigma of 213.47 GM at 780 nm, maximum sigma of 284.43 GM, absorption wavelength range of 600-840 nm, ISC of 0.1698 eV, toxicity score of 0.6290, SA score of 0.0132, boiling point of 213.03 °C, logP of -0.7126, aromaticity of 0, solubility of 644081.25 ug/mol, molecular weight of 128.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 213.03,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 644081.25,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 289.49 GM; maximum two-photon absorption cross section close to 301.09 GM; intersy... | CCC1CN1CC(N)=O | The monomer compound has sigma of 289.49 GM at 780 nm, maximum sigma of 301.09 GM, absorption wavelength range of 600-840 nm, ISC of 0.1765 eV, toxicity score of 0.4632, SA score of 0.1031, boiling point of 205.04 °C, logP of -0.4341, aromaticity of 0, solubility of 755793.80 ug/mol, molecular weight of 128.18 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 205.04,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 755793.8,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 268.35 GM; maximum two-photon absorption cross section close to 280.72 GM; intersy... | COC1=NCC(=N)N1 | The monomer compound has sigma of 268.35 GM at 780 nm, maximum sigma of 280.72 GM, absorption wavelength range of 600-840 nm, ISC of 0.1908 eV, toxicity score of 0.4655, SA score of 0.0308, boiling point of 253.67 °C, logP of -0.4307, aromaticity of 0, solubility of 46064.82 ug/mol, molecular weight of 113.12 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 253.67,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 46064.82,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 71.04 GM; maximum two-photon absorption cross section close to 88.75 GM; toxicity ... | CC1=NC=NC(C)=C1F | The monomer compound has sigma of 71.04 GM at 780 nm, maximum sigma of 88.75 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5661, SA score of 0.2139, boiling point of 207.04 °C, logP of 1.233, aromaticity of 1, solubility of 13325.77 ug/mol, molecular weight of 126.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 207.04,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 13325.77,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.233... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 79.23 GM; maximum two-photon absorption cross section close to 144.76 GM; intersys... | O=C1C=CC2CC2C1=O | The monomer compound has sigma of 79.23 GM at 780 nm, maximum sigma of 144.76 GM, absorption wavelength range of 600-840 nm, ISC of 0.0867 eV, toxicity score of 0.6874, SA score of 0.0490, boiling point of 239.16 °C, logP of 0.3305, aromaticity of 0, solubility of 143119.06 ug/mol, molecular weight of 122.12 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 239.16,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 143119.06,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 123.33 GM; maximum two-photon absorption cross section close to 184.05 GM; toxicit... | CC(=O)Nc1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1 | The monomer compound has sigma of 123.33 GM at 780 nm, maximum sigma of 184.05 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.4139, SA score of 0.4928, boiling point of 628.40 °C, logP of 3.950, aromaticity of 1, solubility of 0.2733 ug/mol, molecular weight of 314.77 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 628.4,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 0.2733,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 3.95,
... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 120.12 GM; maximum two-photon absorption cross section close to 140.38 GM; intersy... | CC1CC2(NC12)C(C)=O | The monomer compound has sigma of 120.12 GM at 780 nm, maximum sigma of 140.38 GM, absorption wavelength range of 600-840 nm, ISC of 0.1408 eV, toxicity score of 0.5935, SA score of 0.0218, boiling point of 193.81 °C, logP of 0.3258, aromaticity of 0, solubility of 53272.58 ug/mol, molecular weight of 125.17 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 193.81,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 53272.58,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 84.77 GM; maximum two-photon absorption cross section close to 97.13 GM; intersyst... | CC1=CC=C(O1)N1CC1 | The monomer compound has sigma of 84.77 GM at 780 nm, maximum sigma of 97.13 GM, absorption wavelength range of 600-840 nm, ISC of 0.1809 eV, toxicity score of 0.4327, SA score of 0.2715, boiling point of 161.37 °C, logP of 1.408, aromaticity of 1, solubility of ug/mol, molecular weight of 123.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 161.37,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1809,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.408,
"weight"... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 6.60 GM; maximum two-photon absorption cross section close to 8.21 GM; toxicity sc... | C#CCSc1cccc(C)c1 | The monomer compound has sigma of 6.602 GM at 780 nm, maximum sigma of 8.211 GM, absorption wavelength range of 600; 810-840 nm, ISC of eV, toxicity score of 0.6699, SA score of 0.2547, boiling point of 245.81 °C, logP of 2.720, aromaticity of 1, solubility of 1105.82 ug/mol, molecular weight of 162.26 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 245.81,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 1105.82,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 2.7199... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 296.64 GM; maximum two-photon absorption cross section close to 354.51 GM; toxicit... | OCC(O)C(F)(F)C(F)F | The monomer compound has sigma of 296.64 GM at 780 nm, maximum sigma of 354.51 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.6541, SA score of 0.0600, boiling point of 195.30 °C, logP of 0.2400, aromaticity of 0, solubility of ug/mol, molecular weight of 162.08 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 195.3,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 0.24,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 354.51,... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 71.89 GM; maximum two-photon absorption cross section close to 84.01 GM; intersyst... | CC1(C)C2CC(C#N)C12 | The monomer compound has sigma of 71.89 GM at 780 nm, maximum sigma of 84.01 GM, absorption wavelength range of 600-840 nm, ISC of 0.1968 eV, toxicity score of 0.6049, SA score of 0.0368, boiling point of 211.68 °C, logP of 1.802, aromaticity of 0, solubility of ug/mol, molecular weight of 121.18 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 211.68,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1968,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.802,
"weight"... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 74.51 GM; maximum two-photon absorption cross section close to 94.05 GM; intersyst... | C1OC1C1=CCOC1 | The monomer compound has sigma of 74.51 GM at 780 nm, maximum sigma of 94.05 GM, absorption wavelength range of 600-840 nm, ISC of 0.2007 eV, toxicity score of 0.7839, SA score of 0.0453, boiling point of 148.46 °C, logP of 0.3418, aromaticity of 0, solubility of ug/mol, molecular weight of 112.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 148.46,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.20070000000000002,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 0.3418... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 58.86 GM; maximum two-photon absorption cross section close to 83.83 GM; toxicity ... | O=C(c1ccccc1SCc1ccccc1)N1CCOCC1 | The monomer compound has sigma of 58.86 GM at 780 nm, maximum sigma of 83.83 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.2834, SA score of 0.4460, boiling point of 578.62 °C, logP of 3.451, aromaticity of 1, solubility of 4.586 ug/mol, molecular weight of 313.42 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 578.62,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 4.586,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 3.451,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 114.19 GM; maximum two-photon absorption cross section close to 134.39 GM; intersy... | CC(O)C1(C)C2CC1C2 | The monomer compound has sigma of 114.19 GM at 780 nm, maximum sigma of 134.39 GM, absorption wavelength range of 600-840 nm, ISC of 0.2088 eV, toxicity score of 0.5933, SA score of 0.0380, boiling point of 206.01 °C, logP of 1.413, aromaticity of 0, solubility of ug/mol, molecular weight of 126.20 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 206.01,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.2088,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.413,
"weight"... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 115.01 GM; maximum two-photon absorption cross section close to 138.72 GM; intersy... | CCOCC(C)C(C)C | The monomer compound has sigma of 115.01 GM at 780 nm, maximum sigma of 138.72 GM, absorption wavelength range of 600-840 nm, ISC of 0.2031 eV, toxicity score of 0.7934, SA score of 0.1784, boiling point of 131.03 °C, logP of 2.315, aromaticity of 0, solubility of ug/mol, molecular weight of 130.23 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 131.03,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.2031,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 2.315,
"weight"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 71.89 GM; maximum two-photon absorption cross section close to 84.01 GM; intersyst... | N#CC12CC1C1CN1C2 | The monomer compound has sigma of 71.89 GM at 780 nm, maximum sigma of 84.01 GM, absorption wavelength range of 600-840 nm, ISC of 0.1986 eV, toxicity score of 0.5955, SA score of 0.0147, boiling point of 208.78 °C, logP of 0.2141, aromaticity of 0, solubility of 126841.64 ug/mol, molecular weight of 120.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 208.78,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 126841.64,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 29.45 GM; maximum two-photon absorption cross section close to 33.22 GM; toxicity ... | Fc1cccc(CC2CO2)c1Br | The monomer compound has sigma of 29.45 GM at 780 nm, maximum sigma of 33.22 GM, absorption wavelength range of 600-660; 740-840 nm, ISC of eV, toxicity score of 0.5115, SA score of 0.1447, boiling point of 268.13 °C, logP of 2.530, aromaticity of 1, solubility of 1381.12 ug/mol, molecular weight of 231.06 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 268.13,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 1381.12,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 2.5300... |
7 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 16.05 GM; maximum two-photon absorption cross section close to 18.70 GM; toxicity ... | CC1(C)OB(C=Cc2ccsc2)OC1(C)C | The monomer compound has sigma of 16.05 GM at 780 nm, maximum sigma of 18.70 GM, absorption wavelength range of 600; 810-840 nm, ISC of eV, toxicity score of 0.5544, SA score of 0.1002, boiling point of °C, logP of 3.393, aromaticity of 1, solubility of ug/mol, molecular weight of 236.15 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 3.393,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 18.7,
"weight": 1.5
},
"molecular_weight": {
"scale": 75,
"target": 236.1... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 3.44 GM; maximum two-photon absorption cross section close to 5.78 GM; toxicity sc... | C=CC(O)c1c(O)ccc2ccccc12 | The monomer compound has sigma of 3.437 GM at 780 nm, maximum sigma of 5.779 GM, absorption wavelength range of 600; 810-840 nm, ISC of eV, toxicity score of 0.5707, SA score of 0.1669, boiling point of 443.57 °C, logP of 2.765, aromaticity of 1, solubility of 48.01 ug/mol, molecular weight of 200.24 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 443.57,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 48.01,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 2.765,
... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 59.94 GM; maximum two-photon absorption cross section close to 117.87 GM; intersys... | CCC1CN=C(O1)C=O | The monomer compound has sigma of 59.94 GM at 780 nm, maximum sigma of 117.87 GM, absorption wavelength range of 600-840 nm, ISC of 0.1325 eV, toxicity score of 0.5434, SA score of 0.0366, boiling point of 212.46 °C, logP of 0.3926, aromaticity of 0, solubility of 189013.34 ug/mol, molecular weight of 127.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 212.46,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 189013.34,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 265.79 GM; maximum two-photon absorption cross section close to 293.75 GM; toxicit... | C=CCCn1cccc(Br)c1=O | The monomer compound has sigma of 265.79 GM at 780 nm, maximum sigma of 293.75 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5743, SA score of 0.1872, boiling point of 298.72 °C, logP of 2.187, aromaticity of 1, solubility of 1451.12 ug/mol, molecular weight of 228.09 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 298.72,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 1451.12,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 2.187,... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 114.78 GM; maximum two-photon absorption cross section close to 141.73 GM; intersy... | CC(C)C1C(C)OC1C | The monomer compound has sigma of 114.78 GM at 780 nm, maximum sigma of 141.73 GM, absorption wavelength range of 600-840 nm, ISC of 0.2067 eV, toxicity score of 0.7022, SA score of 0.0741, boiling point of 137.67 °C, logP of 2.066, aromaticity of 0, solubility of ug/mol, molecular weight of 128.22 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 137.67,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.20670000000000002,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 2.066,... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 111.23 GM; maximum two-photon absorption cross section close to 134.57 GM; toxicit... | C#CCNC(=O)CCC(=O)O | The monomer compound has sigma of 111.23 GM at 780 nm, maximum sigma of 134.57 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5200, SA score of 0.2883, boiling point of 326.28 °C, logP of -0.3994, aromaticity of 0, solubility of 38331.89 ug/mol, molecular weight of 155.15 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 326.28,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 38331.89,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": -0.39... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 109.19 GM; maximum two-photon absorption cross section close to 128.67 GM; intersy... | C1C2CC3N=COC1C23 | The monomer compound has sigma of 109.19 GM at 780 nm, maximum sigma of 128.67 GM, absorption wavelength range of 600-840 nm, ISC of 0.1884 eV, toxicity score of 0.6516, SA score of 0.0122, boiling point of 181.97 °C, logP of 0.8219, aromaticity of 0, solubility of 75692.36 ug/mol, molecular weight of 123.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 181.97,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 75692.36,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 244.33 GM; maximum two-photon absorption cross section close to 255.41 GM; intersy... | CN1CC2=CNC(=O)C12 | The monomer compound has sigma of 244.33 GM at 780 nm, maximum sigma of 255.41 GM, absorption wavelength range of 600-840 nm, ISC of 0.1664 eV, toxicity score of 0.4436, SA score of 0.0330, boiling point of 214.83 °C, logP of -0.6859, aromaticity of 0, solubility of 249070.47 ug/mol, molecular weight of 124.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 214.83,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 249070.47,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 91.09 GM; maximum two-photon absorption cross section close to 261.07 GM; toxicity... | COc1cc(O)cc(C=CC(=O)O)c1 | The monomer compound has sigma of 91.09 GM at 780 nm, maximum sigma of 261.07 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5787, SA score of 0.3433, boiling point of 439.62 °C, logP of 1.499, aromaticity of 1, solubility of 182.99 ug/mol, molecular weight of 194.19 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 439.62,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 182.99,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.499,
... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 302.86 GM; maximum two-photon absorption cross section close to 315.65 GM; intersy... | CC1=COC(=N)N=C1C | The monomer compound has sigma of 302.86 GM at 780 nm, maximum sigma of 315.65 GM, absorption wavelength range of 600-840 nm, ISC of 0.1436 eV, toxicity score of 0.5480, SA score of 0.0770, boiling point of 263.82 °C, logP of 0.7709, aromaticity of 1, solubility of 15346.60 ug/mol, molecular weight of 124.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 263.82,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 15346.6,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target":... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 169.09 GM; maximum two-photon absorption cross section close to 244.69 GM; intersy... | N=C1OC(=CN=C1)C#N | The monomer compound has sigma of 169.09 GM at 780 nm, maximum sigma of 244.69 GM, absorption wavelength range of 600-840 nm, ISC of 0.1423 eV, toxicity score of 0.5619, SA score of 0.0591, boiling point of 338.04 °C, logP of 0.0258, aromaticity of 1, solubility of 32239.67 ug/mol, molecular weight of 121.10 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 338.04,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 32239.67,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
7 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 35.48 GM; maximum two-photon absorption cross section close to 47.83 GM; toxicity ... | COc1ccc(C=O)cc1OCC#CCCl | The monomer compound has sigma of 35.48 GM at 780 nm, maximum sigma of 47.83 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5328, SA score of 0.2250, boiling point of °C, logP of 2.129, aromaticity of 1, solubility of ug/mol, molecular weight of 238.67 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 2.129,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 47.83,
"weight": 1.5
},
"molecular_weight": {
"scale": 75,
"target": 238.... |
8 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 117.84 GM; maximum two-photon absorption cross section close to 142.13 GM; intersy... | CC(O)C1(CC1)OC=O | The monomer compound has sigma of 117.84 GM at 780 nm, maximum sigma of 142.13 GM, absorption wavelength range of 600-840 nm, ISC of 0.1668 eV, toxicity score of 0.5362, SA score of 0.0404, boiling point of °C, logP of 0.0728, aromaticity of 0, solubility of ug/mol, molecular weight of 130.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1668,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 0.0728,
"weight": 0.6000000000000001
},
"max_sigma": {
"scale": 60,
"target": 142.13,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 96.05 GM; maximum two-photon absorption cross section close to 114.47 GM; toxicity... | CC(C)(C)C(C(=O)O)N1CCOC1=O | The monomer compound has sigma of 96.05 GM at 780 nm, maximum sigma of 114.47 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.4511, SA score of 0.1049, boiling point of 352.01 °C, logP of 0.9379, aromaticity of 0, solubility of 5625.69 ug/mol, molecular weight of 201.22 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 352.01,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 5625.69,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 0.9379... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 71.89 GM; maximum two-photon absorption cross section close to 84.01 GM; intersyst... | CC1(C)CNC1C#N | The monomer compound has sigma of 71.89 GM at 780 nm, maximum sigma of 84.01 GM, absorption wavelength range of 600-840 nm, ISC of 0.2137 eV, toxicity score of 0.5578, SA score of 0.0302, boiling point of 220.94 °C, logP of 0.5080, aromaticity of 0, solubility of 50204.65 ug/mol, molecular weight of 110.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 220.94,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 50204.65,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 215.75 GM; maximum two-photon absorption cross section close to 315.11 GM; intersy... | CCC(C)NC(=N)C=O | The monomer compound has sigma of 215.75 GM at 780 nm, maximum sigma of 315.11 GM, absorption wavelength range of 600-840 nm, ISC of 0.1157 eV, toxicity score of 0.6514, SA score of 0.0669, boiling point of 246.46 °C, logP of 0.5507, aromaticity of 0, solubility of 190736.29 ug/mol, molecular weight of 128.18 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 246.46,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 190736.29,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 74.51 GM; maximum two-photon absorption cross section close to 94.05 GM; intersyst... | CC#CC(C)(O)CC#C | The monomer compound has sigma of 74.51 GM at 780 nm, maximum sigma of 94.05 GM, absorption wavelength range of 600-840 nm, ISC of 0.2067 eV, toxicity score of 0.7124, SA score of 0.0288, boiling point of 197.56 °C, logP of 0.7840, aromaticity of 0, solubility of 13248.11 ug/mol, molecular weight of 122.17 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 197.56,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 13248.11,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 242.05 GM; maximum two-photon absorption cross section close to 341.14 GM; intersy... | OC12COCC1C1NC21 | The monomer compound has sigma of 242.05 GM at 780 nm, maximum sigma of 341.14 GM, absorption wavelength range of 600-840 nm, ISC of 0.1792 eV, toxicity score of 0.5868, SA score of 0.0121, boiling point of 242.93 °C, logP of -1.282, aromaticity of 0, solubility of 794131.56 ug/mol, molecular weight of 127.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 242.93,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 794131.56,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 9.22 GM; maximum two-photon absorption cross section close to 11.93 GM; toxicity s... | BrCCCOc1c(Br)cccc1Br | The monomer compound has sigma of 9.216 GM at 780 nm, maximum sigma of 11.93 GM, absorption wavelength range of 600-620; 820; 840 nm, ISC of eV, toxicity score of 0.6477, SA score of 0.2834, boiling point of 389.91 °C, logP of 4.375, aromaticity of 1, solubility of 3.427 ug/mol, molecular weight of 372.88 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 389.91,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 3.427,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 4.375,
... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 252.82 GM; maximum two-photon absorption cross section close to 264.28 GM; intersy... | OCCC1=NCC(=O)N1 | The monomer compound has sigma of 252.82 GM at 780 nm, maximum sigma of 264.28 GM, absorption wavelength range of 600-840 nm, ISC of 0.1650 eV, toxicity score of 0.4683, SA score of 0.0924, boiling point of 327.19 °C, logP of -1.103, aromaticity of 0, solubility of 155115.15 ug/mol, molecular weight of 128.13 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 327.19,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 155115.15,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 74.51 GM; maximum two-photon absorption cross section close to 94.05 GM; intersyst... | OCC12COC1C=CC2 | The monomer compound has sigma of 74.51 GM at 780 nm, maximum sigma of 94.05 GM, absorption wavelength range of 600-840 nm, ISC of 0.1928 eV, toxicity score of 0.6711, SA score of 0.0230, boiling point of 222.89 °C, logP of 0.3238, aromaticity of 0, solubility of 267919.59 ug/mol, molecular weight of 126.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 222.89,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 267919.59,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 74.51 GM; maximum two-photon absorption cross section close to 94.05 GM; intersyst... | CCOCC1CCC=C1 | The monomer compound has sigma of 74.51 GM at 780 nm, maximum sigma of 94.05 GM, absorption wavelength range of 600-840 nm, ISC of 0.2138 eV, toxicity score of 0.6784, SA score of 0.1054, boiling point of 146.35 °C, logP of 1.989, aromaticity of 0, solubility of ug/mol, molecular weight of 126.20 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 146.35,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.21380000000000002,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.9889... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 115.25 GM; maximum two-photon absorption cross section close to 315.04 GM; toxicit... | O=C(O)C=Cc1ccc(F)cc1O | The monomer compound has sigma of 115.25 GM at 780 nm, maximum sigma of 315.04 GM, absorption wavelength range of 600-840 nm, ISC of eV, toxicity score of 0.5471, SA score of 0.3208, boiling point of 393.59 °C, logP of 1.629, aromaticity of 1, solubility of 271.16 ug/mol, molecular weight of 182.15 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 393.59,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 271.16,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 1.629,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 11.64 GM; maximum two-photon absorption cross section close to 15.26 GM; toxicity ... | CCc1ccc(O)c(Br)c1O | The monomer compound has sigma of 11.64 GM at 780 nm, maximum sigma of 15.26 GM, absorption wavelength range of 600-620; 810-820 nm, ISC of eV, toxicity score of 0.5985, SA score of 0.2470, boiling point of 368.55 °C, logP of 2.423, aromaticity of 1, solubility of 47.25 ug/mol, molecular weight of 217.06 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 368.55,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 47.25,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 1,
"weight": 0.30000000000000004
},
"log_p": {
"scale": 1,
"target": 2.423,
... |
9 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 118.00 GM; maximum two-photon absorption cross section close to 139.40 GM; intersy... | COC1CCCCO1 | The monomer compound has sigma of 118.00 GM at 780 nm, maximum sigma of 139.40 GM, absorption wavelength range of 600-840 nm, ISC of 0.1988 eV, toxicity score of 0.6502, SA score of 0.1676, boiling point of 132.65 °C, logP of 1.159, aromaticity of 0, solubility of ug/mol, molecular weight of 116.16 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 132.65,
"weight": 0.4
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target": 0.1988,
"weight": 1
},
"log_p": {
"scale": 1,
"target": 1.159,
"weight"... |
10 | Design one chemically plausible monomer or polymer candidate in SMILES format. Reason through the property constraints in a first-person scientific style and propose a structure with two-photon absorption cross section at 780 nm close to 107.18 GM; maximum two-photon absorption cross section close to 127.31 GM; intersy... | O=C1CNC2CC3C2N13 | The monomer compound has sigma of 107.18 GM at 780 nm, maximum sigma of 127.31 GM, absorption wavelength range of 600-840 nm, ISC of 0.1448 eV, toxicity score of 0.5527, SA score of 0.0197, boiling point of 204.22 °C, logP of -1.059, aromaticity of 0, solubility of 494905.45 ug/mol, molecular weight of 124.14 g/mol. | Given certain properties, propose or discover a corresponding molecule in SMILES format. | {
"boiling_point": {
"scale": 100,
"target": 204.22,
"weight": 0.4
},
"crystal_solubility": {
"scale": 50000,
"target": 494905.45,
"weight": 0.8
},
"is_aromatic": {
"scale": 0.5,
"target": 0,
"weight": 0.30000000000000004
},
"isc_s1_t1": {
"scale": 0.05,
"target... |
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Reasoning dataset for post-training Raven and QuantaMind chemisty LLMs with GRPO and RLVR.
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