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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167104 74780443 1 SO2N5C25H25 AB2C5D25E25 18.16 4.97 -9.35 -1.05 0
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167105 74780516 1 FSN2O2H25C28 ABC2D2E25F28 -4.89 3.43 -8.84 -1.03 0
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167106 74781744 1 N2O4C19H26 A2B4C19D26 -146.07 4.18 -8.52 -0.06 1
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167107 74781917 1 F2O2N3C20H28 A2B2C3D20E28 -161.71 6.85 0.0 0.0 1
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167108 74781981 1 ON2C21H29 AB2C21D29 -7.01 2.38 0.0 0.0 1
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167109 74782182 1 N3O3C25H34 A3B3C25D34 -90.86 0.51 0.0 0.0 1
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167110 74782318 1 F2O2N3C17H18 A2B2C3D17E18 -52.09 6.2 0.0 0.0 1
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167111 74782350 1 ON4C23H33 AB4C23D33 20.37 6.03 0.0 0.0 0
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167112 74782551 1 FO3N4C20H25 AB3C4D20E25 -147.77 2.04 -9.07 -0.52 1
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167113 74782684 1 SO3N4C21H31 AB3C4D21E31 -92.24 5.98 0.0 0.0 0
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167114 74782988 1 SO2N5C20H27 AB2C5D20E27 -39.36 7.05 -8.78 -0.38 0
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167115 74783041 1 SO4N6C21H22 AB4C6D21E22 -3.85 7.79 -9.13 -1.79 0
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167116 74783042 1 ClSO4N6H19C20 ABC4D6E19F20 0.79 7.7 -9.05 -2.24 0
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167117 74783418 1 ClSO2N5C18H20 ABC2D5E18F20 12.23 7.89 -9.03 -1.47 0
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167118 74783566 1 SO3N5H23C25 AB3C5D23E25 7.2 8.4 -8.92 -0.73 0
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167119 74783567 1 SO3N5H23C25 AB3C5D23E25 5.56 8.71 -8.88 -0.89 0
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167120 74783568 1 SO3N5H25C26 AB3C5D25E26 -1.48 4.77 -8.71 -0.6 0
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167121 74783569 1 SO3N5H25C26 AB3C5D25E26 -0.65 6.21 -8.86 -0.56 0
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167122 74783570 1 SO3N5C27H27 AB3C5D27E27 -7.23 7.59 -8.83 -0.42 0
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167123 74783571 1 SO3N5C28H29 AB3C5D28E29 -11.07 9.21 -8.82 -0.56 0
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167124 74784008 1 SO2N5C20H23 AB2C5D20E23 11.71 5.56 -8.97 -1.61 0
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167125 74784009 1 SO2N5C20H23 AB2C5D20E23 10.26 5.42 -8.94 -1.59 0
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167126 74784010 1 SO2N5C20H23 AB2C5D20E23 9.83 5.4 -8.97 -1.6 -1
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167127 74784393 1 ClNO6H21C23 ABC6D21E23 -194.55 5.12 0.0 0.0 1
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167128 74784498 1 SN2O5C20H31 AB2C5D20E31 -179.0 19.08 0.0 0.0 1
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167129 74784499 1 SN2O3C27H35 AB2C3D27E35 -69.37 21.66 0.0 0.0 1
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167130 74784500 1 SN2O3C30H41 AB2C3D30E41 -83.58 23.17 0.0 0.0 1
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167131 74784501 1 SN3O3C26H34 AB3C3D26E34 -72.83 12.5 0.0 0.0 1
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167132 74784502 1 SN2O4C28H37 AB2C4D28E37 -105.39 23.04 0.0 0.0 1
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167133 74784943 1 SN2O5C20H27 AB2C5D20E27 -118.78 7.14 0.0 0.0 0
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167134 74785572 1 N2O2C23H32 A2B2C23D32 -53.0 2.46 -8.24 -0.2 0
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167135 74785573 1 N3O5C21H29 A3B5C21D29 -192.65 2.06 -9.29 -0.35 1
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167136 74785686 1 N3O4C20H32 A3B4C20D32 -155.5 11.42 0.0 0.0 1
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167137 74785687 1 OSN7C17H28 ABC7D17E28 47.43 9.91 0.0 0.0 1
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167138 74785688 1 F2N2O2C26H33 A2B2C2D26E33 -131.56 13.98 0.0 0.0 1
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167139 74785689 1 NOC22H30 ABC22D30 2.56 2.88 0.0 0.0 1
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167140 74785690 1 ON3C22H28 AB3C22D28 44.83 6.57 0.0 0.0 2
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167141 74785691 1 SN2O3C22H38 AB2C3D22E38 -85.62 17.52 -5.72 -0.36 1
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167142 74785692 1 N2O4C23H25 A2B4C23D25 -89.93 27.13 0.0 0.0 0
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167143 74786007 1 O3N4C30H32 A3B4C30D32 -42.09 6.38 -8.53 -0.62 0
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167144 74786431 1 N2S2O3H16C20 A2B2C3D16E20 -38.95 4.64 -8.67 -1.57 1
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167145 74786726 1 N3O3C24H28 A3B3C24D28 -9.77 5.37 0.0 0.0 -1
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167146 74786766 1 N2S2O5C18H21 A2B2C5D18E21 -163.8 1.78 0.0 0.0 -1
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167147 74786767 1 N2S2O5C19H23 A2B2C5D19E23 -137.14 3.37 0.0 0.0 1
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167148 74787257 1 FO2N5C23H31 AB2C5D23E31 -81.22 3.35 0.0 0.0 1
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167149 74787453 1 O2N5C29H34 A2B5C29D34 36.29 3.0 0.0 0.0 -1
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167150 74787616 1 BNSF3C5H6 ABCD3E5F6 -217.14 9.76 0.0 0.0 0
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167151 74787981 1 BO2C4H9 AB2C4D9 -147.25 2.92 -10.61 1.62 0
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167152 74788065 1 BSiO3C7H13 ABC3D7E13 -203.86 3.72 -9.28 0.24 0
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167153 74788157 2 NH4C5 AB4C5 76.18 2.66 -9.36 -1.16 0