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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424101 135121320 1 ClSN2O5C22H35 ABC2D5E22F35 -229.8 7.83 -8.83 -0.41 0
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424102 135121322 1 N2O2C19H26 A2B2C19D26 -77.82 5.33 -8.6 -0.55 0
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424103 135121323 1 N2O2C19H26 A2B2C19D26 -81.18 6.82 -8.99 -0.26 0
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424104 135121330 1 ClO2N5C13H20 AB2C5D13E20 -70.71 9.04 -9.58 -1.1 0
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424106 135121335 2 O2C13H22 A2B13C22 -227.96 4.52 -9.53 0.42 0
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424109 135121345 1 NCl2O3C17H19 AB2C3D17E19 -133.33 4.63 -8.82 -0.6 0
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424110 135121349 1 ClNO3C16H16 ABC3D16E16 -96.63 9.17 -9.53 -1.22 0
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424111 135121361 1 NPO6C15H32 ABC6D15E32 -385.34 3.48 -9.38 0.28 0
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424112 135121362 1 O3C15H32 A3B15C32 -204.09 1.58 -10.49 0.81 0
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424113 135121367 1 NPO7C23H48 ABC7D23E48 -454.84 3.62 -9.73 0.36 0
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424114 135121368 1 O2C11H24 A2B11C24 -135.81 2.62 -9.9 1.79 4
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424116 135121384 2 O2N4C21H30 A2B4C21D30 -67.65 2.51 -7.82 -0.06 1
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424117 135121386 1 P4N15O24C32H44 A4B15C24D32E44 -1042.07 17.58 0.0 0.0 0
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424118 135121387 1 P2S2N6O10C19H30 A2B2C6D10E19F30 -477.86 5.9 -9.02 -1.9 1
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424119 135121396 1 NPO8C21H43 ABC8D21E43 -453.61 4.69 0.0 0.0 0
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424120 135121406 1 BaO4C7H10 AB4C7D10 -403.9 10.27 -10.11 -2.54 0
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424121 135121411 1 O4C9H12 A4B9C12 -178.07 7.65 -10.89 -0.02 0
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424122 135121412 1 BrNOH6C10 ABCD6E10 45.79 2.83 -10.05 -1.48 0
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424123 135121417 1 O4C11H12 A4B11C12 -153.18 4.93 -8.85 -0.17 0
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424124 135121418 1 O3H8C12 A3B8C12 -17.61 3.73 -9.21 -1.3 0
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424125 135121429 1 ON3C12H13 AB3C12D13 30.77 3.61 -8.96 -0.75 0
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424126 135121430 1 O2N3H7C11 A2B3C7D11 44.14 5.8 -9.43 -1.04 0
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424127 135121433 1 O5C11H12 A5B11C12 -165.8 6.64 -9.25 -0.47 0
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424128 135121435 1 O5C6N6H16 A5B6C6D16 -206.67 10.09 -9.9 -0.2 0
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424129 135121436 1 O5C12H14 A5B12C14 -188.44 6.29 -8.94 -0.47 0
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424130 135121437 1 N2O2H12C13 A2B2C12D13 -3.03 2.92 -9.23 -1.76 0
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424131 135121439 1 NaO5C11H13 AB5C11D13 -265.64 10.65 -8.9 -1.06 0
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424132 135121442 1 SO8C9H10 AB8C9D10 -294.38 7.23 -9.38 -1.35 0
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424133 135121451 1 BrON3H8C13 ABC3D8E13 77.27 6.04 -9.59 -1.1 0
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424134 135121455 2 NOC7H9 ABC7D9 -75.75 2.2 -8.72 -0.3 0
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424135 135121456 1 N3H11C16 A3B11C16 139.91 14.47 -8.31 -1.38 0
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424136 135121457 1 ON3H13C15 AB3C13D15 61.14 5.3 -9.31 -0.9 0
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424137 135121459 1 N2C8O9H10 A2B8C9D10 -372.7 4.88 -11.44 -1.15 0
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424138 135121462 1 O2N3C14H15 A2B3C14D15 -12.46 5.41 -9.07 -1.02 0
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424139 135121467 2 NOH6C8 ABC6D8 8.5 2.59 -9.24 -1.84 0
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424140 135121470 1 FO5H9C14 AB5C9D14 -168.64 2.86 -9.89 -1.47 0
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424141 135121472 1 ClO5H9C14 AB5C9D14 -130.17 2.92 -9.9 -1.49 0
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424142 135121477 1 BrNOSC16H32 ABCDE16F32 -119.14 3.31 -8.97 -0.55 0
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424143 135121480 1 NO2F5H12C13 AB2C5D12E13 -300.11 5.52 -8.67 -0.73 0
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424144 135121482 1 NH13C20 AB13C20 128.87 1.7 -8.24 -0.53 0
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424145 135121485 1 NO4H11C16 AB4C11D16 -77.46 4.56 -8.54 -1.71 0
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424146 135121488 1 ON3H11C17 AB3C11D17 91.55 5.13 -8.93 -0.94 0
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424147 135121489 1 SO2C18H30 AB2C18D30 -123.27 3.65 -8.24 -0.08 0
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424148 135121493 1 NO7C14H15 AB7C14D15 -274.87 5.8 -9.86 -1.77 0
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424149 135121496 1 N2O3H14C17 A2B3C14D17 -33.22 2.38 -8.94 -1.74 0
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424150 135121499 2 N2C9H9 A2B9C9 111.7 5.25 -8.16 -0.95 0
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424151 135121512 1 NO8C14H15 AB8C14D15 -301.18 6.27 -9.33 -1.72 0
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424152 135121515 1 O2C21H34 A2B21C34 -117.79 0.78 -8.54 -0.09 0
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424153 135121519 1 ON2H18C21 AB2C18D21 42.88 3.8 -8.28 -1.11 0
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424154 135121538 1 NSO2H15C22 ABC2D15E22 33.92 2.34 -9.08 -2.1 0