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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50093 12012596 1 BrH13C22 AB13C22 177.46 2.11 -8.96 -0.89 0
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50094 12012597 1 BrH13C22 AB13C22 177.58 1.77 -8.96 -0.87 0
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50095 12012598 1 BrNOC14H18 ABCD14E18 -0.28 1.15 -9.4 0.07 0
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50096 12012599 1 NOC14H19 ABC14D19 -2.16 0.41 -9.24 0.28 0
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50097 12012600 1 NO2C15H21 AB2C15D21 -50.6 1.99 -9.28 0.06 0
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50098 12012601 1 NOC20H23 ABC20D23 21.9 0.54 -9.14 0.35 0
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50099 12012602 1 NO3C22H27 AB3C22D27 -75.32 2.78 -9.24 0.04 0
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50100 12012603 1 NO2C10H17 AB2C10D17 -62.89 4.24 -9.41 -0.34 0
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50101 12012604 1 NO2C15H25 AB2C15D25 -63.77 4.33 -9.37 -0.5 0
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50102 12012605 1 NO2C19H21 AB2C19D21 -13.04 3.8 -9.1 -0.77 0
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50103 12012606 1 NO3C13H17 AB3C13D17 -60.75 3.73 -9.35 -1.04 0
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50104 12012607 1 NO3C21H21 AB3C21D21 -30.03 4.68 -9.24 -0.89 0
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50105 12012608 1 NSO2C13H17 ABC2D13E17 -24.78 3.66 -9.45 -0.79 0
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50106 12012609 1 NO3C16H21 AB3C16D21 -85.82 2.3 -9.48 -0.07 0
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50107 12012610 1 NO2C21H25 AB2C21D25 -26.73 1.74 -9.26 0.06 0
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50108 12012611 1 ON2C22H28 AB2C22D28 21.75 2.53 -8.06 0.45 0
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50109 12012612 2 NO2C12H16 AB2C12D16 -82.81 0.11 -9.57 -0.68 0
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50110 12012613 1 OH3C8F11 AB3C8D11 -585.38 6.23 -10.94 -1.47 0
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50111 12012614 1 PO4C8H19 AB4C8D19 -272.08 2.39 -10.08 1.14 0
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50112 12012615 1 BrSnO4C22H43 ABC4D22E43 -240.06 1.88 -9.6 -0.69 0
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50114 12012618 1 SnO4C22H44 AB4C22D44 -245.0 3.94 -9.6 0.36 0
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50115 12012619 1 O2N3H13C21 A2B3C13D21 67.27 3.91 -8.86 -1.5 0
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50116 12012620 1 FO2N3H12C21 AB2C3D12E21 19.2 4.71 -8.95 -1.59 0
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50117 12012621 1 ClO2N3H12C21 AB2C3D12E21 58.86 4.29 -8.88 -1.48 0
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50118 12012623 1 BrO2N3H12C21 AB2C3D12E21 69.85 5.26 -8.96 -1.62 0
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50119 12012624 1 SO2N3H11C19 AB2C3D11E19 73.28 4.32 -8.89 -1.55 0
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50120 12012625 1 N4O4H12C21 A4B4C12D21 62.24 3.3 -9.16 -1.83 0
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50121 12012626 1 FO2N3H12C21 AB2C3D12E21 19.87 5.29 -8.96 -1.62 0
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50122 12012627 1 O2F3N3H12C22 A2B3C3D12E22 -93.07 3.62 -8.93 -1.6 0
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50123 12012628 1 Cl2O2N3H11C21 A2B2C3D11E21 53.2 4.75 -8.96 -1.56 0
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50124 12012629 1 BrFO2N3H11C21 ABC2D3E11F21 23.78 4.17 -8.96 -1.6 0
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50125 12012630 1 ClOSN2H11C18 ABCD2E11F18 64.24 6.71 -8.81 -0.99 0
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50126 12012631 1 BrOSN2H11C18 ABCD2E11F18 76.18 6.74 -8.82 -1.0 0
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50127 12012633 1 OSN3H11C17 ABC3D11E17 84.69 7.48 -8.82 -1.01 0
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50128 12012635 1 BN2O3F5H30C31 AB2C3D5E30F31 -367.72 19.78 -9.32 -1.36 1
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50129 12012636 1 FN2O3H30C31 AB2C3D30E31 -17.31 5.12 0.0 0.0 0
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50130 12012637 1 HIF6C7 ABC6D7 -257.53 2.82 -10.21 -1.86 -1
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50131 12012638 1 ClGeN2O2C24H27 ABC2D2E24F27 -15.21 8.09 -8.47 -0.97 -2
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50133 12012640 1 FGeN2O2C24H27 ABC2D2E24F27 -51.47 9.11 -8.43 -0.96 0
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50134 12012641 1 FGeC18H22 ABC18D22 -55.31 3.17 0.0 0.0 -2
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50135 12012642 1 GeO2N3C26H33 AB2C3D26E33 102.42 13.29 -7.44 -0.85 0
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50136 12012643 1 GeN2O2C24H26 AB2C2D24E26 24.74 12.81 -8.54 -0.85 -2
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50138 12012645 1 GeN2O3C24H29 AB2C3D24E29 29.85 6.02 0.0 0.0 -1
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50139 12012646 1 GeN2O3C36H43 AB2C3D36E43 79.71 8.77 0.0 0.0 0
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50140 12012647 1 N2O3C18H22 A2B3C18D22 -32.71 9.79 -9.0 -0.84 0
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50141 12012648 1 ClS2O3N4H11C18 AB2C3D4E11F18 33.93 6.72 -9.29 -1.63 0
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50142 12012649 1 S2O3N4H14C19 A2B3C4D14E19 33.66 5.31 -9.08 -1.52 0
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50143 12012650 1 S2O3N4H10C18 A2B3C4D10E18 50.41 4.9 -9.16 -2.29 0
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50144 12012651 1 ClS2O3N4H9C18 AB2C3D4E9F18 40.61 6.85 -9.14 -2.4 0
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50145 12012652 1 S2O3N4H12C19 A2B3C4D12E19 40.85 4.23 -8.86 -2.25 0
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50146 12012653 1 O2H16C19 A2B16C19 -13.93 5.99 -9.2 -1.13 0
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50147 12012654 1 BrO3H15C22 AB3C15D22 -26.09 5.11 -9.56 -0.78 0
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50148 12012655 4 OH5C6 AB5C6 -80.93 5.17 -9.19 -0.45 0
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50149 12012656 1 BrO3H19C24 AB3C19D24 -46.18 5.37 -9.47 -0.7 0
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50150 12012657 1 O3C22H22 A3B22C22 -92.54 5.74 -9.37 -0.49 0
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50151 12012658 1 O3C24H26 A3B24C26 -99.2 6.15 -9.0 -0.46 0
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50152 12012659 1 O3C27H28 A3B27C28 -103.24 5.66 -9.31 -0.44 0
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50153 12012661 1 NO4H17C24 AB4C17D24 -6.26 2.78 -8.68 -1.34 0
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50154 12012662 1 N2O5H14C23 A2B5C14D23 30.74 9.18 -9.74 -1.7 0
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50155 12012663 1 NO3H17C24 AB3C17D24 25.27 5.1 -9.25 -1.37 0
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50156 12012664 1 NO3H19C25 AB3C19D25 15.04 4.86 -9.02 -1.33 0
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50157 12012665 1 NO4H19C25 AB4C19D25 -16.26 3.37 -8.66 -1.31 0
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50158 12012666 1 N2O5H16C24 A2B5C16D24 20.34 9.31 -9.63 -1.66 0
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50159 12012667 1 NO4H17C24 AB4C17D24 -6.18 4.68 -8.96 -1.37 0
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50160 12012668 1 NO4H19C25 AB4C19D25 -16.5 4.1 -8.89 -1.32 0
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50161 12012669 1 ClO2N3H8C14 AB2C3D8E14 91.4 2.59 -9.92 -2.19 0
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50162 12012670 1 O2N3H9C14 A2B3C9D14 100.89 4.49 -10.09 -2.08 0
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50163 12012671 1 O2N4H8C15 A2B4C8D15 133.53 1.02 -10.52 -2.29 0
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50164 12012672 1 ClNOH8C11 ABCD8E11 23.92 7.14 -8.08 -1.18 0
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50165 12012673 1 ClNOH8C11 ABCD8E11 5.05 2.38 -9.16 -0.62 0
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50166 12012674 1 NOI2H7C11 ABC2D7E11 62.37 3.85 -9.45 -1.18 0
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50167 12012675 1 NSO4C13H13 ABC4D13E13 -127.34 4.78 -9.17 -1.13 0
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50168 12012676 1 NSO3C14H17 ABC3D14E17 -116.13 3.17 -8.67 -0.5 0
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50169 12012677 1 SO2N3C11H13 AB2C3D11E13 -47.2 2.28 -8.91 -0.7 0
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50170 12012678 1 SO2N3C12H15 AB2C3D12E15 -52.39 2.55 -8.93 -0.69 0
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50171 12012679 1 SO2N3H7C10 AB2C3D7E10 -1.02 3.8 -8.99 -1.24 0
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50172 12012680 1 OSN3C12H13 ABC3D12E13 7.86 3.34 -8.62 -0.62 0
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50173 12012681 2 NaN2P2O8H27C28 AB2C2D8E27F28 -836.27 13.84 -8.57 -1.28 0
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50174 12012682 4 NPO4C14H14 ABC4D14E14 -764.88 5.21 -8.74 -0.66 0
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50175 12012684 1 Cl2O3F4H4C5 A2B3C4D4E5 -346.29 1.93 -11.62 -1.57 0
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50176 12012685 1 ClF2O3C4H5 AB2C3D4E5 -242.94 2.48 -11.11 -0.57 0
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50177 12012687 1 ClO2C4F4H5 AB2C4D4E5 -318.28 1.86 -11.28 -0.23 0
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50178 12012688 1 ClF3O3C5H8 AB3C3D5E8 -306.61 4.26 -10.99 -0.21 0
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50179 12012689 1 ClF2O3C5H7 AB2C3D5E7 -220.35 3.31 -8.89 0.12 0
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50180 12012690 2 OF3C6H9 AB3C6D9 -445.65 4.09 -11.45 0.02 0
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50181 12012691 1 NSCl2O3C15H15 ABC2D3E15F15 -94.21 8.18 -10.23 -1.2 0
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50182 12012692 1 NSBr2O3C15H15 ABC2D3E15F15 -74.18 8.07 -10.24 -1.36 0
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50183 12012693 1 NSCl3O3H14C15 ABC3D3E14F15 -99.33 6.81 -10.33 -1.62 0
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50184 12012694 1 BrNOSC12H12 ABCDE12F12 8.94 7.18 -7.67 -1.58 0
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50185 12012696 1 BrNSO2H12C13 ABCD2E12F13 -22.52 7.32 -8.19 -1.81 0
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50186 12012697 1 BrNSO2H14C18 ABCD2E14F18 14.25 8.0 -8.18 -1.85 0
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50187 12012698 1 BrNOSH16C18 ABCDE16F18 37.22 6.9 -7.65 -1.54 0
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50188 12012699 1 BrSN2O3H15C18 ABC2D3E15F18 29.45 12.3 -8.0 -1.71 1
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50189 12012700 1 SN2O3H15C18 AB2C3D15E18 44.89 8.71 0.0 0.0 0
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50191 12012702 1 OSeC13H18 ABC13D18 -42.69 3.5 -8.69 -0.48 0
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50192 12012703 1 NOSC11H11 ABCD11E11 40.58 1.46 -8.91 -0.17 0
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50193 12012704 1 NOSC12H13 ABCD12E13 31.06 1.54 -8.87 -0.13 0
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50194 12012705 1 NSO2C12H13 ABC2D12E13 0.23 2.93 -8.79 -0.13 0
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50195 12012706 1 ClNOSH10C11 ABCDE10F11 30.3 1.24 -8.98 -0.27 0
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50196 12012707 1 NOSH13C15 ABCD13E15 57.81 1.36 -8.86 -0.48 0