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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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54692 17389111 1 S2N3O3C26H27 A2B3C3D26E27 -71.99 7.34 -8.51 -1.29 0
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54693 17389112 1 Cl2O2S3N6H26C33 A2B2C3D6E26F33 73.61 11.15 -8.63 -1.32 0
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54694 17389113 1 O2S3N4C12H16 A2B3C4D12E16 1.37 5.22 -8.17 -0.82 0
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54695 17389114 1 SN2O2C9H12 AB2C2D9E12 -38.51 4.1 -8.76 -0.5 0
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54696 17389116 1 S3O6N10C14H14 A3B6C10D14E14 119.03 4.25 -8.58 -1.62 0
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54697 17389119 1 OF3N3H10C12 AB3C3D10E12 -111.39 3.37 -9.22 -1.32 0
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54698 17389120 1 BrFON3H17C19 ABCD3E17F19 -1.6 1.76 -8.39 -0.98 0
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54699 17389121 1 ON3C14H15 AB3C14D15 52.61 6.74 -8.82 -0.82 0
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54700 17389122 2 OSN2C6H6 ABC2D6E6 40.58 6.61 -8.77 -1.28 0
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54701 17389123 1 ON3C20H25 AB3C20D25 33.96 7.83 -8.68 -0.72 0
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54702 17389126 1 Cl2N2O2H18C21 A2B2C2D18E21 -10.05 2.7 -8.5 -0.94 0
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54703 17389127 1 S3N4O4C36H36 A3B4C4D36E36 0.67 6.86 -8.19 -0.94 0
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54704 17389132 2 NOC5H6 ABC5D6 -30.65 3.05 -9.09 -0.24 0
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54705 17389133 1 OCl2N2H10C11 AB2C2D10E11 13.94 2.31 -9.67 -1.1 0
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54706 17389134 1 O4N7H13C17 A4B7C13D17 94.14 5.33 -8.96 -2.12 0
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54707 17389135 2 N4O4H13C17 A4B4C13D17 35.9 16.69 -9.54 -1.85 0
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54708 17389137 1 SN2O3C18H24 AB2C3D18E24 -124.24 2.17 -9.02 -1.36 0
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54709 17389139 1 SN3O3H7C10 AB3C3D7E10 -46.91 6.02 -9.23 -1.85 0
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54710 17389141 1 NO2C15H25 AB2C15D25 -126.95 1.27 -8.97 0.8 0
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54711 17389142 1 N2O2S2H12C19 A2B2C2D12E19 109.75 2.87 -8.7 -2.02 0
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54712 17389144 1 FON3H18C27 ABC3D18E27 82.15 6.15 -8.77 -0.95 0
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54713 17389145 1 IN4O4H19C20 AB4C4D19E20 -70.87 7.57 -9.24 -0.99 0
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54714 17389146 1 ClN4O4H17C20 AB4C4D17E20 167.09 13.24 -9.95 -2.28 0
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54715 17389147 1 BClPN2F4H23C28 ABCD2E4F23G28 -238.41 20.3 -9.31 -1.3 0
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54716 17389148 1 IPO2N3C19H33 ABC2D3E19F33 -85.99 29.68 -5.83 -0.85 0
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54718 17389153 1 IPN2O2C27H32 ABC2D2E27F32 -24.63 11.05 -6.94 -0.74 0
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54719 17389156 1 BrClON2C15H16 ABCD2E15F16 -14.38 8.97 -9.05 -1.39 0
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54720 17389157 1 BrCl2N3O3H10C13 AB2C3D3E10F13 -10.74 1.29 -8.94 -2.15 0
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54721 17389158 1 OF3N3H10C15 AB3C3D10E15 -102.26 4.3 -8.78 -1.56 0
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54722 17389160 1 BrO2N4H17C19 AB2C4D17E19 24.99 4.69 -8.72 -1.07 0
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54723 17389162 1 BrClFNSO2H8C12 ABCDEF2G8H12 -76.7 3.4 -9.57 -1.2 0
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54724 17389163 2 ClNO2H7C13 ABC2D7E13 -7.32 0.03 -9.19 -1.95 0
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54725 17389164 1 Br2I2N3O3H15C27 A2B2C3D3E15F27 85.9 4.97 -8.84 -2.12 0
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54726 17389165 1 BrN4O4H11C19 AB4C4D11E19 49.72 8.79 -9.36 -2.12 0
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54727 17389166 1 OBr2N2S2H12C17 AB2C2D2E12F17 56.91 2.14 -8.89 -1.96 0
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54728 17389168 1 I2N3O3H11C16 A2B3C3D11E16 37.24 10.88 -8.65 -1.35 0
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54729 17389169 1 ClFON2H10C16 ABCD2E10F16 3.9 5.63 -9.75 -1.6 0
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54730 17389170 2 ON2H7C8 AB2C7D8 40.68 3.4 -8.97 -1.21 0
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54731 17389171 1 ClO2N5H10C11 AB2C5D10E11 16.41 7.84 -9.3 -1.5 0
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54732 17389172 1 OBr2N4H14C18 AB2C4D14E18 91.52 10.91 -8.27 -1.46 0
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54733 17389173 2 ON2H6C7 AB2C6D7 -14.36 0.91 -8.94 -1.46 0
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54734 17389174 1 BrO4N7H14C18 AB4C7D14E18 67.18 8.94 -9.29 -2.16 0
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54735 17389175 1 ION2S2C23H25 ABC2D2E23F25 45.43 20.95 -6.7 -1.93 0
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54736 17389178 1 NOBr3H10C13 ABC3D10E13 16.46 3.91 -8.47 -1.47 0
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54737 17389181 1 O4C9H12 A4B9C12 -104.86 3.67 -9.93 0.74 0
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54738 17389182 1 O4C9H12 A4B9C12 -105.22 3.19 -9.96 0.81 0
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54739 17389183 1 O4C9H14 A4B9C14 -156.77 2.7 -9.72 1.15 0
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54740 17389184 1 O4C13H16 A4B13C16 -147.01 2.77 -9.59 0.12 0
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54741 17389185 1 O5C16H20 A5B16C20 -166.87 1.98 -9.43 0.25 0
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54742 17389189 1 ON2S2H12C18 AB2C2D12E18 127.81 10.21 -7.64 -1.67 0
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54744 17389191 1 ClNOSC16H26 ABCDE16F26 -114.0 6.8 -9.26 -0.34 0
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54745 17389194 1 BrClO2N4C14H16 ABC2D4E14F16 -26.35 5.2 -8.82 -1.98 0
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54746 17389196 1 SN3H11C13 AB3C11D13 134.4 3.82 -8.03 -1.77 0
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54747 17389198 1 ON3C15H21 AB3C15D21 -10.09 2.04 -10.07 -0.22 0
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54748 17389200 1 ON2C18H20 AB2C18D20 -6.97 7.1 -9.45 -1.04 0
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54749 17389201 1 ClOSN2F6H11C14 ABCD2E6F11G14 -354.72 6.31 -9.46 -1.76 0
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54750 17389202 1 BrOSN2C18H19 ABCD2E18F19 6.89 2.74 -8.54 -0.8 0
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54751 17389203 1 BrSO2N3F6H14C25 ABC2D3E6F14G25 -291.59 6.56 -8.93 -1.62 0
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54753 17389205 1 BrClON2S2C18H20 ABCD2E2F18G20 9.7 3.58 -8.18 -1.04 0
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54755 17389207 1 BrCl2N2S2C17H17 AB2C2D2E17F17 41.15 4.97 -8.43 -1.1 0
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54757 17389210 1 BrOCl2N2S2H19C22 ABC2D2E2F19G22 34.07 4.34 -8.3 -1.17 0
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54758 17389211 1 BrCl2N2S2H17C24 AB2C2D2E17F24 101.57 1.96 -8.4 -1.11 0
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54759 17389213 1 BrClON2S2F3H17C18 ABCD2E2F3G17H18 -158.55 4.6 -8.32 -1.2 0
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54760 17389215 1 BrClO2N3S3H21C25 ABC2D3E3F21G25 6.52 4.79 -8.67 -1.25 0
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54761 17389218 1 ClBr2N2S2H15C20 AB2C2D2E15F20 97.02 5.22 -8.56 -1.19 0
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54763 17389221 1 BrClN2S2H12C14 ABC2D2E12F14 51.72 3.25 -8.73 -0.98 0
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54764 17389224 1 BrCl2N2O2S2H15C16 AB2C2D2E2F15G16 -38.22 3.16 -8.49 -1.12 0
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54766 17389227 1 N2S2Br3H11C14 A2B2C3D11E14 64.88 3.7 -8.91 -1.05 0
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54767 17389231 1 BrSCl2N3O4H26C33 ABC2D3E4F26G33 -45.0 7.29 -8.41 -1.78 0
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54768 17389232 1 BrSN2O3C33H37 ABC2D3E33F37 -54.7 9.22 -8.29 -0.48 1
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54769 17389237 1 SN3H12C14 AB3C12D14 105.72 6.04 0.0 0.0 0
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54770 17389238 1 BrOSF2N2H11C16 ABCD2E2F11G16 -61.73 1.68 -9.46 -1.48 0
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54771 17389239 1 BrFOSN2H16C22 ABCDE2F16G22 10.89 3.98 -9.13 -1.14 0
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54772 17389241 1 ON2C16H16 AB2C16D16 3.61 5.11 -8.83 -0.63 0
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54773 17389244 1 INSO3C19H28 ABCD3E19F28 -89.32 16.9 -7.1 -1.3 0
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54774 17389247 1 SN2C25H26 AB2C25D26 77.24 5.58 -8.94 -1.23 0
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54775 17389248 1 BrN2O2H21C26 AB2C2D21E26 49.04 3.98 -9.37 -0.95 0
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54776 17389249 1 SO3N7H19C20 AB3C7D19E20 127.78 8.07 -8.79 -1.7 0
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54777 17389250 1 O2N4C17H36 A2B4C17D36 -132.12 3.01 -8.81 0.63 0
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54778 17389252 1 FN2H19C23 AB2C19D23 37.93 3.48 -8.48 -0.53 0
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54780 17389255 1 BrN2O2F4H9C14 AB2C2D4E9F14 -149.08 2.78 -8.5 -1.87 0
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54781 17389257 4 NOC5H5 ABC5D5 -53.89 9.1 -8.91 -1.42 0
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54782 17389260 1 SN2O5H18C20 AB2C5D18E20 -122.94 9.86 -8.69 -1.3 0
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54783 17389267 1 SO2N4C18H18 AB2C4D18E18 8.28 10.51 -8.52 -1.19 0
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54784 17389271 1 ClNO3C12H20 ABC3D12E20 -154.1 3.23 -8.54 -0.23 0
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54785 17389272 1 NCl3C12H16 AB3C12D16 -42.64 3.01 -9.01 -0.39 0
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54786 17389274 1 ON2C15H16 AB2C15D16 -12.51 2.19 -8.22 -0.27 0
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54787 17389275 1 N3O4C20H21 A3B4C20D21 -116.17 2.15 -8.76 -0.39 0
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54788 17389277 1 SN2O2H16C26 AB2C2D16E26 70.41 6.34 -9.59 -1.41 0
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54789 17389281 1 OSN4H16C17 ABC4D16E17 81.69 17.15 -7.7 -2.58 1
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54790 17389282 1 OSN4C17H17 ABC4D17E17 61.59 5.51 0.0 0.0 0
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54791 17389283 1 NaH3N6C10 AB3C6D10 92.48 4.99 -8.91 -0.92 0
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54792 17389284 1 FNO4H18C23 ABC4D18E23 -65.61 6.2 -7.62 -1.0 0
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54793 17389285 1 ON5C22H23 AB5C22D23 171.22 7.55 -9.01 -1.5 0
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54794 17389288 1 ON3H15C17 AB3C15D17 37.08 7.79 -8.4 -1.08 0
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54795 17389289 1 ClO7H15C26 AB7C15D26 39.01 12.57 -8.94 -4.31 0
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54796 17389290 1 BrSN3O3H14C17 ABC3D3E14F17 17.68 8.0 -9.07 -1.5 0
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54797 17389294 1 ClO4N6H13C16 AB4C6D13E16 45.13 5.16 -9.02 -1.87 0
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54798 17389297 1 ClN4O4H15C20 AB4C4D15E20 40.41 12.37 -8.99 -1.85 0
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54799 17389298 1 O4N6H12C13 A4B6C12D13 60.18 3.11 -9.07 -1.78 0