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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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444306 135262014 1 ClO5N8C41H49 AB5C8D41E49 -124.65 7.52 -8.76 -0.89 0
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444307 135262017 1 FO3C5H9 AB3C5D9 -191.05 2.7 -10.08 0.39 0
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444308 135262020 1 O4N5C24H31 A4B5C24D31 -104.87 5.56 -8.47 0.1 0
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444309 135262045 3 FOC2H3 ABC2D3 -290.32 3.32 -10.46 -0.03 0
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444310 135262053 1 O3F4C6H8 A3B4C6D8 -326.23 1.7 -10.8 -0.36 0
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444311 135262055 1 ClNO3H12C13 ABC3D12E13 -53.54 8.6 -9.69 -0.76 0
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444312 135262056 1 ClN5O6C38H42 AB5C6D38E42 -199.4 3.8 -9.42 -0.79 0
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444313 135262058 1 ClF3N6O6C42H44 AB3C6D6E42F44 -318.72 5.01 -8.8 -1.6 0
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444314 135262061 1 O3N4C20H28 A3B4C20D28 -58.08 6.44 -8.22 0.33 0
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444315 135262062 1 N4O4C17H22 A4B4C17D22 -59.05 2.77 -8.75 -0.39 0
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444316 135262064 1 N4O4C17H22 A4B4C17D22 -54.37 2.96 -8.71 -0.45 0
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444317 135262066 1 SN6H28C30 AB6C28D30 181.3 6.38 -8.31 -1.76 0
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444318 135262067 1 ClO6N8C45H53 AB6C8D45E53 -146.27 8.87 -8.63 -0.91 0
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444319 135262072 1 ClO5N7C45H48 AB5C7D45E48 -91.05 9.64 -8.68 -1.15 0
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444320 135262073 1 ClN2O3C17H21 AB2C3D17E21 -80.32 7.19 -9.3 -0.93 0
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444321 135262074 1 SO2N7C19H21 AB2C7D19E21 62.58 3.73 -8.73 -1.01 0
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444322 135262075 1 SO3N6C19H24 AB3C6D19E24 -21.07 5.05 -8.4 -0.6 0
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444323 135262076 1 SO3N6C19H24 AB3C6D19E24 -18.29 3.53 -8.34 -0.58 0
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444324 135262077 1 O6C13H20 A6B13C20 -255.34 4.16 -9.99 -0.89 0
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444325 135262078 1 F2C5H6O6 A2B5C6D6 -355.51 2.09 -11.82 -0.59 0
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444326 135262079 1 F2O3C4H6 A2B3C4D6 -224.42 3.19 -10.82 0.34 1
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444328 135262087 1 O3N4C19H22 A3B4C19D22 -84.15 7.53 -8.56 -0.59 0
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444329 135262088 1 O4N5C21H27 A4B5C21D27 -86.98 3.09 -8.63 0.19 0
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444330 135262089 1 O3N6C21H28 A3B6C21D28 -43.11 4.28 -8.41 0.27 0
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444331 135262092 1 NC15H15 AB15C15 57.59 5.12 -9.37 -0.79 0
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444332 135262096 1 NO2F3C15H16 AB2C3D15E16 -219.6 6.16 -9.48 -0.4 0
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444333 135262100 1 ClSO2N7H14C17 ABC2D7E14F17 60.91 6.28 -9.11 -1.23 0
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444334 135262103 1 O3N7C21H21 A3B7C21D21 3.44 0.11 -8.94 -1.18 -1
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444335 135262104 1 SN2O5C14H15 AB2C5D14E15 -135.32 8.06 0.0 0.0 0
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444336 135262105 1 SN2O5C14H16 AB2C5D14E16 -156.12 4.93 -8.98 -0.95 0
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444337 135262106 1 O3N7C21H21 A3B7C21D21 2.26 0.78 -8.95 -1.19 0
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444338 135262107 1 SO2N4C15H18 AB2C4D15E18 8.41 3.61 -8.8 -0.9 0
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444339 135262108 1 SO2N4C15H18 AB2C4D15E18 9.6 3.17 -8.74 -0.95 0
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444340 135262110 2 H2C3F4 A2B3C4 -395.69 0.18 -12.36 -1.59 0
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444341 135262111 1 F2O3C5H8 A2B3C5D8 -231.15 2.37 -10.14 0.15 0
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444342 135262112 1 FO3C6H11 AB3C6D11 -196.14 2.73 -9.93 0.19 0
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444343 135262113 1 NOC14H21 ABC14D21 -45.14 1.17 -8.13 0.47 0
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444344 135262122 1 ClNO3H12C13 ABC3D12E13 -46.54 4.26 -9.55 -1.03 0
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444345 135262130 1 FSO3N8C25H27 ABC3D8E25F27 -37.7 6.58 -9.1 -1.35 0
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444346 135262131 1 INSO4H18C20 ABCD4E18F20 -51.08 3.81 -8.34 -1.02 0
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444347 135262150 1 NO2F3C18H20 AB2C3D18E20 -211.65 5.07 -9.42 -0.29 0
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444348 135262164 1 SF3N3O4C22H22 AB3C3D4E22F22 -255.0 7.25 -8.94 -0.34 0
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444349 135262176 1 NO2F3C18H24 AB2C3D18E24 -223.14 2.23 -9.22 -0.71 0
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444350 135262177 1 NO2F3C18H22 AB2C3D18E22 -227.24 2.94 -9.2 -0.37 0
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444351 135262178 1 FN8C20H21 AB8C20D21 107.56 3.64 -8.9 -1.08 0
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444352 135262180 1 SF2O3N8C25H26 AB2C3D8E25F26 -82.02 5.08 -9.06 -1.49 0
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444353 135262181 1 ON6H12C17 AB6C12D17 122.68 2.21 -9.09 -1.45 0
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444354 135262182 2 N3H6C8 A3B6C8 154.36 2.65 -9.02 -1.04 0
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444355 135262184 1 F2O2N7C24H25 A2B2C7D24E25 -64.83 6.37 -8.99 -1.21 0
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444356 135262187 1 NSF6O6H21C22 ABC6D6E21F22 -518.07 4.95 -9.03 -0.78 0
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444357 135262188 1 FN7C23H26 AB7C23D26 85.09 2.69 -8.83 -1.1 0
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444358 135262189 1 F2O3N7H21C23 A2B3C7D21E23 -81.91 4.37 -9.34 -1.44 0
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444359 135262190 1 F2O3N7H21C23 A2B3C7D21E23 -96.09 3.97 -9.12 -1.35 0
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444360 135262192 1 NSO4F6C23H25 ABC4D6E23F25 -455.19 6.96 -9.08 -0.68 0
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444361 135262193 1 F2O2N7H21C23 A2B2C7D21E23 -46.46 7.5 -9.33 -1.63 0
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444362 135262195 1 ClN5O7C40H42 AB5C7D40E42 -193.71 5.32 -9.08 -1.08 0
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444363 135262196 1 FNO3C26H28 ABC3D26E28 -123.09 0.83 -9.27 -0.89 0
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444364 135262197 1 ClN6H13C17 AB6C13D17 136.16 2.15 -9.06 -1.15 0
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444365 135262198 1 FO2N8H29C30 AB2C8D29E30 62.84 3.32 -8.71 -0.88 0
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444366 135262200 1 O2N7H15C18 A2B7C15D18 64.22 1.99 -9.02 -1.29 0
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444367 135262201 1 ClN6O6C41H49 AB6C6D41E49 -223.09 12.33 -8.67 -0.68 0
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444368 135262203 1 ClO6N8C37H43 AB6C8D37E43 -152.21 7.51 -9.04 -1.0 0
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444369 135262206 1 ON7H19C24 AB7C19D24 130.26 4.78 -8.84 -1.54 0
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444370 135262207 1 SCl2N3O3C27H29 AB2C3D3E27F29 -101.1 9.16 -8.49 -0.92 0
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444371 135262208 1 FN8C23H25 AB8C23D25 93.99 0.95 -8.94 -1.13 0
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444372 135262209 1 H3C5F5O6 A3B5C5D6 -500.55 0.83 -12.47 -1.4 0
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444373 135262210 1 O2N5H15C19 A2B5C15D19 63.61 2.81 -9.01 -1.18 0
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444374 135262215 1 O3C7F7H7 A3B7C7D7 -483.32 1.55 -11.93 -1.24 0
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444375 135262216 1 H5C6F7 A5B6C7 -343.19 1.75 -11.92 -1.28 0
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444376 135262217 1 ON7H19C20 AB7C19D20 105.47 3.43 -9.09 -1.4 0
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444377 135262222 3 FC2H3 AB2C3 -160.1 1.89 -10.1 0.27 0
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444378 135262224 1 N6O7C35H40 A6B7C35D40 -217.87 2.71 -8.35 -0.52 0
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444379 135262225 1 NO5C14H15 AB5C14D15 -159.75 5.51 -9.73 -0.89 -1
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444380 135262231 1 NSO3F4H20C24 ABC3D4E20F24 -245.39 6.71 0.0 0.0 0
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444381 135262232 1 NSO3F4H21C24 ABC3D4E21F24 -265.19 5.41 -9.0 -0.57 0