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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427060 135155264 2 ON3C12H14 AB3C12D14 -13.61 5.74 -8.06 -0.16 0
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427061 135155273 1 SF2N3O5C34H41 AB2C3D5E34F41 -249.1 7.1 -8.84 -0.14 0
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427062 135155282 2 NOC5H10 ABC5D10 -89.78 4.11 -10.64 -0.23 0
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427063 135155283 1 SN3F5O7C35H42 AB3C5D7E35F42 -518.42 6.75 -8.95 -1.26 0
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427064 135155289 1 SN3F5O7C35H42 AB3C5D7E35F42 -517.5 18.6 -9.36 -1.36 0
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427065 135155292 1 ClN2O2C20H25 AB2C2D20E25 -54.84 4.89 -8.46 -0.62 0
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427066 135155294 1 O4N7C24H31 A4B7C24D31 -93.62 2.81 -9.25 -0.7 0
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427067 135155295 1 O4N7C24H31 A4B7C24D31 -89.99 5.03 -9.29 -0.74 0
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427068 135155300 1 ClNOF3H7C8 ABCD3E7F8 -188.93 1.97 -10.41 -1.49 0
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427069 135155303 1 SO4N7C25H25 AB4C7D25E25 6.88 3.82 -8.4 -1.45 0
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427070 135155322 1 BrSF2N3O4C31H34 ABC2D3E4F31G34 -208.45 6.96 -9.19 -1.0 0
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427071 135155325 3 ON2C9H10 AB2C9D10 -33.55 2.31 -7.72 -0.28 0
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427072 135155326 1 N4O4C25H38 A4B4C25D38 -150.33 7.63 -8.06 -0.34 0
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427073 135155329 1 N2O4C27H32 A2B4C27D32 -110.99 4.87 -8.82 -0.81 0
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427074 135155370 1 N3O6C21H25 A3B6C21D25 -112.65 5.92 -8.77 -0.98 0
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427075 135155376 1 SF2N3O5C37H39 AB2C3D5E37F39 -219.0 7.53 -9.19 -1.0 0
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427076 135155378 1 BrF2N3O4C31H34 AB2C3D4E31F34 -228.25 6.05 -8.7 -0.75 0
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427077 135155380 1 BrN3F5O5C33H33 AB3C5D5E33F33 -406.75 9.19 -8.99 -1.07 0
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427078 135155384 1 O2N3C25H35 A2B3C25D35 -57.55 2.81 -7.9 -0.13 0
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427079 135155385 1 N4O5C19H24 A4B5C19D24 -127.13 6.17 -8.74 -1.1 0
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427080 135155390 4 NOC6H8 ABC6D8 -115.78 10.89 -8.09 -1.08 0
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427081 135155391 1 O2N4C23H30 A2B4C23D30 -21.66 5.86 -8.3 -1.32 0
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427082 135155392 1 N3O4C26H37 A3B4C26D37 -138.49 9.0 -8.53 -0.71 0
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427083 135155393 1 O2N3C25H35 A2B3C25D35 -49.66 2.41 -7.8 -0.17 0
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427084 135155395 1 O2N4C23H30 A2B4C23D30 -28.69 2.92 -8.0 -0.68 0
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427085 135155399 1 N2O2H12C13 A2B2C12D13 -21.12 5.67 -8.08 -0.64 0
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427086 135155400 2 NH5C6 AB5C6 69.11 4.29 -7.92 -0.49 0
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427087 135155401 1 ClN2O2C22H29 AB2C2D22E29 -68.54 3.43 -8.51 -0.67 0
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427088 135155424 1 FN2O2C16H19 AB2C2D16E19 -132.84 2.04 -8.49 -0.81 0
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427089 135155435 1 N3O5C25H31 A3B5C25D31 -139.82 3.89 -8.11 -0.37 0
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427090 135155441 1 ClSN3F5O6C28H31 ABC3D5E6F28G31 -442.09 7.05 -9.51 -1.06 0
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427091 135155442 1 ClN2O2C21H27 AB2C2D21E27 -60.88 4.85 -8.46 -0.58 0
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427092 135155447 1 BrSF2N3O4C29H32 ABC2D3E4F29G32 -217.99 9.68 -9.17 -1.17 0
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427093 135155448 1 N2F3O4C22H27 A2B3C4D22E27 -294.76 2.97 -8.76 -0.68 0
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427094 135155449 2 NOC10H13 ABC10D13 -46.04 3.13 -8.33 -0.33 0
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427095 135155474 1 ClSF2N3O4C34H36 ABC2D3E4F34G36 -200.34 6.75 -8.35 -0.59 0
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427096 135155476 1 N3O3C22H29 A3B3C22D29 -57.03 3.91 -8.16 -0.69 0
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427097 135155513 1 ClSN3F5O6C31H33 ABC3D5E6F31G33 -456.25 8.06 -9.18 -0.99 0
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427098 135155518 1 O2N3C22H31 A2B3C22D31 -52.57 1.78 -8.14 -0.24 0
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427099 135155519 1 N3O4C25H37 A3B4C25D37 -154.23 6.47 -7.97 -0.31 0
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427100 135155526 1 O2N3C23H33 A2B3C23D33 -64.82 3.27 -7.74 -0.14 0
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427101 135155527 1 ClN2O4C20H29 AB2C4D20E29 -183.75 4.9 -7.95 0.0 0
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427102 135155528 2 NO2C10H14 AB2C10D14 -152.77 2.68 -7.98 0.0 0
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427103 135155529 1 BrFN2O2C16H18 ABC2D2E16F18 -127.76 2.69 -8.65 -1.15 0
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427104 135155530 1 N2O5C25H34 A2B5C25D34 -184.55 4.16 -8.85 -0.85 0
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427105 135155531 1 N2O3C24H32 A2B3C24D32 -95.86 5.28 -8.38 -0.46 0
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427106 135155533 1 ClN2O2C19H23 AB2C2D19E23 -49.36 4.03 -8.6 -0.76 0
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427107 135155534 1 O2F3N3C23H30 A2B3C3D23E30 -219.17 4.96 -8.09 -0.38 0
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427108 135155535 1 N2O3C19H24 A2B3C19D24 -99.95 5.75 -8.45 -0.69 0
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427109 135155541 1 ClN2O3C28H33 AB2C3D28E33 -75.24 3.54 -8.39 -0.49 0
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427110 135155543 1 SO2N3C23H33 AB2C3D23E33 -52.24 2.95 -7.86 -0.19 -1
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427111 135155546 1 ClSF2N3O5H35C36 ABC2D3E5F35G36 -232.42 9.83 0.0 0.0 0
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427112 135155547 1 ClSF2N3O5C36H36 ABC2D3E5F36G36 -248.29 8.8 -8.76 -0.81 0
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427113 135155549 1 O2N3C26H39 A2B3C26D39 -83.62 1.26 -7.93 -0.26 0
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427114 135155551 1 NO4C16H21 AB4C16D21 -152.27 4.05 -8.76 0.24 0
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427115 135155553 2 ON2C10H14 AB2C10D14 -38.26 4.17 -7.88 -0.11 0
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427116 135155554 1 NO3C8H13 AB3C8D13 -158.81 6.9 -10.54 0.32 0
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427117 135155560 1 N3O3C23H31 A3B3C23D31 -66.6 2.95 -8.03 -0.34 0
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427118 135155571 1 N3O4C25H35 A3B4C25D35 -144.89 2.78 -8.04 -0.51 0
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427119 135155578 1 F3N4O4C26H37 A3B4C4D26E37 -311.83 4.62 -8.16 -0.27 0
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427120 135155586 1 ClO2N5C28H28 AB2C5D28E28 9.17 5.13 -9.5 -0.64 0
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427121 135155589 1 O2N3C28H35 A2B3C28D35 -27.74 1.7 -7.82 -0.16 0
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427122 135155590 1 F3N3O4C30H34 A3B3C4D30E34 -256.58 2.95 -8.02 -0.75 0
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427123 135155591 1 ClO2N5H24C30 AB2C5D24E30 58.43 5.44 -9.56 -0.75 0
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427124 135155592 1 ClN2O2C20H27 AB2C2D20E27 -62.11 4.6 -8.46 -0.62 0
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427125 135155593 1 FO2N6C28H29 AB2C6D28E29 -19.83 4.16 -9.46 -0.98 0
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427126 135155594 1 O2F3N6C34H39 A2B3C6D34E39 -159.99 4.35 -9.58 -1.12 0
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427127 135155595 1 O2F3N6C34H39 A2B3C6D34E39 -159.63 8.84 -9.52 -0.98 0
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427128 135155596 1 N3O5C25H33 A3B5C25D33 -169.79 2.59 -7.98 -0.53 0
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427129 135155627 1 ClO2N5C31H34 AB2C5D31E34 -0.59 3.09 -8.99 -0.51 0
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427130 135155628 1 O2N7C27H29 A2B7C27D29 33.75 2.95 -9.52 -0.94 0
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427131 135155640 1 BrFO2N4H24C31 ABC2D4E24F31 9.03 1.99 -9.25 -0.49 0
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427132 135155653 1 BrSF2N3O4C30H34 ABC2D3E4F30G34 -211.05 6.89 -9.21 -1.02 0
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427133 135155669 1 O2N6H28C31 A2B6C28D31 77.85 3.03 -8.71 -1.21 0
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427134 135155670 1 F3O3N5H26C29 A3B3C5D26E29 -171.42 5.7 -9.36 -1.04 0
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427135 135155671 1 ClN2O4C22H29 AB2C4D22E29 -140.01 6.62 -8.89 -1.1 0
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427136 135155674 2 FO2N3H13C14 AB2C3D13E14 -146.78 6.63 -9.6 -1.09 0
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427137 135155680 1 O2F3N7H28C30 A2B3C7D28E30 -95.1 6.53 -9.57 -1.58 0
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427138 135155681 1 ON6F10H24C29 AB6C10D24E29 -457.44 12.32 -9.7 -1.65 0
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427139 135155683 1 O2N7C29H33 A2B7C29D33 22.75 3.58 -9.05 -0.5 0
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427140 135155685 1 O3N6C30H32 A3B6C30D32 -13.24 4.08 -9.24 -0.5 0
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427141 135155690 1 ClN2O3C19H23 AB2C3D19E23 -79.73 6.06 -8.73 -0.92 0
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427142 135155693 1 FO2N6H23C29 AB2C6D23E29 33.32 4.41 -9.35 -0.95 0
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427143 135155705 1 ON3F4C13H13 AB3C4D13E13 -209.08 7.73 -9.88 -0.86 0
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427144 135155710 1 SO4F7N8H31C34 AB4C7D8E31F34 -381.13 10.54 -9.4 -1.28 0
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427145 135155716 1 O2N3C27H33 A2B3C27D33 -28.53 2.77 -8.09 -0.32 0
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427146 135155722 1 F2N4O5C32H32 A2B4C5D32E32 -265.89 4.29 -8.49 -0.93 0
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427147 135155723 1 O3N5F7C28H28 A3B5C7D28E28 -439.23 5.44 -9.61 -1.45 0
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427148 135155725 1 F3O3N6H27C29 A3B3C6D27E29 -156.08 6.76 -9.76 -1.04 0
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427149 135155726 1 F2O2N5H23C30 A2B2C5D23E30 -30.63 6.04 -9.47 -0.85 0
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427150 135155729 1 N3O5C21H27 A3B5C21D27 -153.9 1.83 -8.27 -0.86 0
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427151 135155734 1 O2N7H23C28 A2B7C23D28 90.06 4.91 -9.37 -0.92 0
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427152 135155740 1 O2F3N6C33H37 A2B3C6D33E37 -155.86 8.81 -9.3 -0.95 0
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427153 135155743 1 ON4H32C33 AB4C32D33 82.52 5.41 -9.08 -0.28 0
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427154 135155744 1 ClO3N5H24C27 AB3C5D24E27 -19.74 2.59 -9.35 -0.79 0
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427155 135155745 1 PN5O11C14H20 AB5C11D14E20 -464.42 1.42 -8.69 -0.77 0
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427156 135155746 1 N3O5C27H33 A3B5C27D33 -176.72 4.63 -9.57 -0.49 0
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427157 135155766 1 O2F7N9H36C38 A2B7C9D36E38 -296.66 5.57 -8.46 -1.36 0
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427158 135155768 1 FO2N6H23C29 AB2C6D23E29 34.65 3.18 -9.46 -0.88 0
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427159 135155769 1 O2N4H26C31 A2B4C26D31 54.24 6.87 -8.61 -0.46 0