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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141113 52820671 1 N2O3C19H30 A2B3C19D30 -145.0 3.08 -8.74 0.37 0
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141114 52820749 1 N3O4C25H33 A3B4C25D33 -141.6 7.42 -8.77 -0.31 0
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141115 52820750 1 N3O4C25H33 A3B4C25D33 -145.34 6.45 -8.45 -0.08 0
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141116 52820751 1 ClON3C24H26 ABC3D24E26 9.15 4.28 -8.74 -1.1 0
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141117 52820752 1 N3O3C21H31 A3B3C21D31 -119.98 4.18 -8.86 0.39 0
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141118 52820753 1 SO2N5C18H23 AB2C5D18E23 -8.42 4.2 -9.36 -1.14 0
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141119 52820754 1 SN2O3C28H32 AB2C3D28E32 -67.83 10.61 -8.94 -0.45 0
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141120 52820791 1 BrSN2O3C19H23 ABC2D3E19F23 -84.86 1.12 -8.86 -0.7 0
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141121 52820836 1 BrFN2O2C19H20 ABC2D2E19F20 -84.68 5.15 -9.03 -0.26 0
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141122 52820941 1 BrN3O3C18H24 AB3C3D18E24 -104.25 2.02 -9.2 -0.27 0
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141123 52820942 1 BrN3O3C18H24 AB3C3D18E24 -104.11 6.56 -9.27 -0.41 0
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141124 52820943 1 BrClNOSC15H15 ABCDEF15G15 11.06 2.22 -9.09 -0.44 0
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141125 52820944 1 BrClNOSC15H15 ABCDEF15G15 11.86 3.12 -9.04 -0.5 0
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141126 52820945 1 BrNO2C18H20 ABC2D18E20 -29.32 1.61 -8.78 -0.23 0
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141127 52820946 1 BrNO2C18H20 ABC2D18E20 -29.13 1.9 -8.9 -0.21 0
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141128 52820947 1 BrN2O2C20H23 AB2C2D20E23 -40.2 2.29 -9.11 -0.28 0
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141129 52820948 1 BrN2O2C20H23 AB2C2D20E23 -39.53 3.44 -9.11 -0.24 0
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141130 52820980 1 SF3O3H13C15 AB3C3D13E15 -247.75 4.05 -8.86 -1.24 0
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141131 52822135 1 ON4C23H26 AB4C23D26 38.31 2.92 -8.61 -1.19 0
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141132 52822223 1 F2N2O2H16C19 A2B2C2D16E19 -101.45 3.63 -9.39 -1.24 0
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141133 52822429 2 ON3C11H11 AB3C11D11 15.28 2.83 -8.43 -0.49 0
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141134 52822501 2 NO3C8H11 AB3C8D11 -258.28 1.58 -8.65 -0.1 0
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141135 52822550 1 S2N3O3C17H17 A2B3C3D17E17 -51.22 2.56 -9.14 -1.17 0
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141136 52822560 1 SN2O3C15H16 AB2C3D15E16 -80.78 6.39 -9.65 -1.45 0
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141137 52822867 1 N3O3S3C19H29 A3B3C3D19E29 -104.33 4.62 -8.2 -1.1 0
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141138 52823161 1 SO2F3N4H15C21 AB2C3D4E15F21 -127.01 5.07 -8.69 -1.05 0
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141139 52824407 2 NOC9H14 ABC9D14 -107.78 2.86 -9.02 0.44 0
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141140 52824856 1 SN3O4C23H27 AB3C4D23E27 -131.85 7.48 -8.01 -0.94 0
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141141 52825326 1 O2N4C23H26 A2B4C23D26 -21.41 3.8 -9.34 -0.7 0
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141142 52825615 3 NOC8H13 ABC8D13 -157.4 6.16 -8.07 0.35 0
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141143 52825637 1 O4N5C24H27 A4B5C24D27 -83.85 7.62 -8.74 -0.58 0
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141144 52825638 1 N5O5C22H25 A5B5C22D25 -120.84 9.63 -8.83 -0.67 0
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141145 52825761 1 S2N3O3H23C24 A2B3C3D23E24 -55.05 5.65 -8.84 -1.06 0
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141146 52826320 1 S2N3O3C18H29 A2B3C3D18E29 -108.79 6.62 -8.77 -0.57 0
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141147 52826827 1 O2F3N4C25H29 A2B3C4D25E29 -183.31 4.62 -9.03 -0.66 0
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141148 52827234 1 SO3N6C23H28 AB3C6D23E28 -32.42 7.2 -9.27 -1.41 -1
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141149 52827335 1 SO2N6C19H19 AB2C6D19E19 71.23 2.95 0.0 0.0 0
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141150 52827420 1 OSN4H18C21 ABC4D18E21 75.42 5.07 -8.88 -1.12 0
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141151 52827494 1 O2N5C22H25 A2B5C22D25 -30.46 3.75 -8.46 -0.42 0
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141152 52827495 1 O3N6H24C25 A3B6C24D25 27.99 7.21 -8.7 -0.72 1
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141153 52828411 1 SO3N5C12H18 AB3C5D12E18 29.48 22.08 0.0 0.0 0
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141154 52828412 1 SO3N5C12H17 AB3C5D12E17 9.89 5.1 -8.88 -1.4 1
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141155 52828413 1 ClO2F3N5C17H20 AB2C3D5E17F20 -150.13 27.44 0.0 0.0 0
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141156 52828414 1 ClO2F3N5C17H19 AB2C3D5E17F19 -168.9 8.49 -8.97 -1.26 1
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141157 52828712 1 NO2C16H18 AB2C16D18 -26.59 3.59 0.0 0.0 0
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141158 52828713 1 NO2C16H17 AB2C16D17 -44.73 3.54 -9.07 -0.04 1
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141159 52828714 1 NO3C18H22 AB3C18D22 -71.79 5.75 0.0 0.0 0
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141160 52828715 1 NO3C18H21 AB3C18D21 -90.64 3.71 -8.74 -0.01 1
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141161 52828716 1 ClN2O3C16H16 AB2C3D16E16 3.35 11.89 0.0 0.0 0
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141162 52828873 1 SN3O5C17H23 AB3C5D17E23 -146.41 3.93 -9.73 -1.17 -1
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141163 52828908 1 ClFSN2O5H17C18 ABCD2E5F17G18 -154.96 3.74 0.0 0.0 0
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141164 52829261 1 SN3O4C19H25 AB3C4D19E25 -134.34 6.73 -9.1 -1.17 0
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141165 52829302 1 F3N3O5C18H22 A3B3C5D18E22 -252.64 6.84 -9.38 -1.16 0
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141166 52829303 1 F3N3O5C18H22 A3B3C5D18E22 -256.57 5.63 -9.4 -1.16 0
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141167 52829304 1 SN2O4C17H20 AB2C4D17E20 -85.92 5.41 -8.97 -1.02 0
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141168 52829349 1 N3O3H21C22 A3B3C21D22 -14.56 4.04 -8.23 -0.62 0
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141169 52829749 1 BrClN2O3C20H22 ABC2D3E20F22 -96.7 4.91 -9.09 -0.65 1
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141170 52829750 1 BrClN2O3C20H23 ABC2D3E20F23 -80.99 6.02 0.0 0.0 0
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141171 52830073 1 OSCl2N6C18H18 ABC2D6E18F18 45.14 3.36 -8.98 -1.4 0
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141172 52830177 1 N3O5C27H33 A3B5C27D33 -164.07 4.27 -7.92 -0.46 0
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141173 52830178 1 N3O5C27H33 A3B5C27D33 -162.95 1.46 -8.02 -0.36 0
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141174 52830179 1 SN3O6C23H25 AB3C6D23E25 -186.48 5.57 -8.98 -1.32 0
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141175 52830198 1 SN2O2C24H28 AB2C2D24E28 -49.06 6.0 -8.44 -0.27 0
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141176 52830318 1 N2O5C18H24 A2B5C18D24 -187.19 5.87 -9.48 -0.42 0
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141177 52830969 1 BrN2O3H15C19 AB2C3D15E19 -4.2 5.81 -8.86 -0.56 0
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141178 52832215 1 N3O4C26H31 A3B4C26D31 -124.87 3.91 -9.38 -0.93 0
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141179 52832697 1 N2O2F3C15H15 A2B2C3D15E15 -198.43 3.26 -10.07 -0.99 1
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141180 52833043 1 ON3C17H26 AB3C17D26 -13.71 4.49 0.0 0.0 0
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141181 52833738 1 O2F3N4C21H27 A2B3C4D21E27 -196.39 3.54 -9.03 -0.51 -1
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141182 52833767 1 S2N3O4C22H22 A2B3C4D22E22 -70.36 5.33 0.0 0.0 0
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141183 52833768 1 S2N3O4C22H23 A2B3C4D22E23 -96.84 5.06 -8.59 -1.52 0
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141184 52833769 1 O2F3N4C18H21 A2B3C4D18E21 -200.15 5.09 -9.37 -0.84 0
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141185 52833770 1 O2F3N4C18H21 A2B3C4D18E21 -198.94 1.45 -9.63 -0.52 0
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141186 52834170 1 BrN2O4C23H23 AB2C4D23E23 -90.7 5.69 -8.78 -0.74 0
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141187 52834246 1 ClON2S3C13H13 ABC2D3E13F13 11.93 2.67 -8.68 -1.61 0
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141188 52834320 1 ClSN2O2C15H15 ABC2D2E15F15 -11.72 1.68 -8.83 -1.1 0
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141189 52834496 1 O3N4C24H26 A3B4C24D26 -16.58 3.62 -8.68 -0.77 0
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141190 52834556 1 ON3C17H29 AB3C17D29 -67.99 2.68 -9.04 0.87 0
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141191 52834571 1 BrNOC18H24 ABCD18E24 -40.08 1.78 -9.7 -0.26 0
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141192 52834572 1 BrNOC18H24 ABCD18E24 -40.1 2.83 -9.65 -0.2 0
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141193 52834806 1 BrN3O3C19H20 AB3C3D19E20 -54.47 5.33 -9.25 -0.73 -1
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141194 52834847 1 S2N3O4C20H20 A2B3C4D20E20 -52.41 5.8 0.0 0.0 0
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141195 52834998 1 BrFON2C22H24 ABCD2E22F24 -23.24 6.28 -8.84 0.07 1
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141196 52834999 1 BrFON2C22H25 ABCD2E22F25 -1.92 6.88 0.0 0.0 0
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141197 52836357 2 ON2C7H12 AB2C7D12 -78.72 2.45 -8.69 -0.53 1
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141198 52836358 1 ON2C16H29 AB2C16D29 -43.1 3.66 0.0 0.0 0
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141199 52836359 1 ON2C16H28 AB2C16D28 -70.68 4.09 -8.52 1.27 1
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141200 52836444 1 Cl2O2N3C18H20 A2B2C3D18E20 2.73 6.02 0.0 0.0 0
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141201 52836445 1 Cl2O2N3C18H19 A2B2C3D18E19 -15.96 1.96 -9.07 -1.24 1
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141202 52836487 1 N4O4C20H39 A4B4C20D39 -211.33 8.95 0.0 0.0 0
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141203 52837249 1 SO2N5C16H19 AB2C5D16E19 -4.29 8.47 -8.74 -0.51 0
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141204 52837250 1 SO2N4C22H30 AB2C4D22E30 -30.42 7.25 -8.78 -0.63 0
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141205 52837566 1 ClFO2N5H13C16 ABC2D5E13F16 14.65 5.56 -9.56 -1.32 0
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141206 52837649 1 SO2N4C27H28 AB2C4D27E28 -10.82 4.41 -8.82 -1.13 0
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141207 52837814 1 F2N2S2O4C19H22 A2B2C2D4E19F22 -230.12 9.33 -9.28 -0.9 0
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141208 52837833 1 F2O2N5H19C20 A2B2C5D19E20 -89.51 7.52 -9.36 -1.2 0
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141209 52837920 2 NSO2C12H13 ABC2D12E13 -84.64 6.3 -9.21 -0.72 0
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141210 52837921 1 N2S2O3C23H26 A2B2C3D23E26 -67.47 5.63 -9.45 -1.29 0
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141211 52838765 1 N2S2O3H16C17 A2B2C3D16E17 -35.32 6.07 -8.85 -0.57 0
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141212 52839110 1 OS2N3C22H31 AB2C3D22E31 -21.72 3.43 -8.69 -0.5 1