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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12091 129974 1 O8H10C13 A8B10C13 -231.08 3.37 -8.92 -2.11 0
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12092 129975 1 N2O3H6C11 A2B3C6D11 -40.1 4.58 -9.02 -1.92 0
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12093 129978 1 O2N3C9H9 A2B3C9D9 -33.06 8.26 -9.73 -0.93 0
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12094 129996 1 O3C15H26 A3B15C26 -79.93 1.54 -9.5 0.17 0
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12095 130000 2 O2H7C8 A2B7C8 -121.41 6.19 -8.84 -1.23 0
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12096 130146 1 SN2O3C24H28 AB2C3D24E28 -59.55 4.81 -7.89 -0.54 0
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12097 130186 1 IOF2N5C27H28 ABC2D5E27F28 29.92 3.23 -8.97 -1.03 0
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12098 130187 1 N5O10C24H27 A5B10C24D27 -302.15 4.19 -8.86 -1.42 0
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12099 130191 1 OC21H30 AB21C30 -25.59 1.79 -8.98 1.4 0
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12100 130193 1 SN10O11C53H68 AB10C11D53E68 -393.09 9.05 -8.45 -0.56 0
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12101 130219 1 PN4O9C17H23 AB4C9D17E23 -378.51 7.0 -9.04 -1.68 0
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12102 130223 1 CuN4O4C8H18 AB4C4D8E18 -146.93 4.11 0.0 0.0 0
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12103 130224 2 NOC2H5 ABC2D5 -78.47 4.12 -9.47 0.56 0
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12104 130225 1 ZnN4O4C8H18 AB4C4D8E18 -160.97 1.4 -8.86 -0.62 0
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12105 130227 1 NO3C24H33 AB3C24D33 -164.51 8.0 -9.66 -0.48 0
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12106 130228 1 FIO2N3C26H29 ABC2D3E26F29 -44.59 5.05 -8.82 -1.02 0
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12108 130354 1 IN4O4C46H71 AB4C4D46E71 -135.43 12.48 -8.4 -3.26 0
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12109 130380 1 OCl2N2C16H22 AB2C2D16E22 -52.12 2.03 -8.7 -0.79 0
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12110 130387 1 BSN2O3C4H5 ABC2D3E4F5 -168.63 5.45 -9.93 -1.34 0
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12111 130389 1 O4N9C20H23 A4B9C20D23 -82.16 9.5 -8.84 -1.21 0
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12112 130448 1 SO2N3C9H11 AB2C3D9E11 -44.04 4.19 -8.83 -0.75 0
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12113 130449 1 SO2N3C12H15 AB2C3D12E15 -48.7 5.01 -8.48 -0.63 0
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12114 130461 2 NO2C4H7 AB2C4D7 -149.35 2.47 -10.18 -0.12 0
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12115 130489 1 O2N3C14H19 A2B3C14D19 -82.4 5.44 -9.45 0.04 0
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12116 130503 1 O6H20C21 A6B20C21 -184.18 10.19 -8.98 -1.29 0
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12117 130564 1 MgS2N6O6C34H36 AB2C6D6E34F36 -127.74 10.83 -7.98 -1.08 0
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12118 130589 1 NaSO19C27H29 ABC19D27E29 -792.02 5.65 -8.6 -0.96 0
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12119 130600 1 NOC6H11 ABC6D11 -13.29 3.42 -10.21 1.56 0
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12120 130685 1 O5C20H28 A5B20C28 -229.63 9.36 -9.57 -0.34 0
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12121 130686 1 NO2H25C26 AB2C25D26 18.7 1.28 -8.4 0.01 0
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12122 130965 2 NOSC15H23 ABCD15E23 -109.45 4.53 -8.46 -0.56 0
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12123 130996 1 SN5O5C24H29 AB5C5D24E29 -74.76 11.69 -8.83 -1.73 0
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12124 131001 1 NO2C15H23 AB2C15D23 -87.06 3.52 -8.79 0.23 0
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12125 131021 1 O8C21H28 A8B21C28 -340.45 5.76 -10.32 -0.53 0
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12126 131034 1 NO4C24H48 AB4C24D48 -234.92 2.15 0.0 0.0 1
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12127 131052 1 O20C33H40 A20B33C40 -811.55 4.14 -9.51 -1.56 0
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12128 131066 1 N2O4C5H10 A2B4C5D10 -174.03 6.7 -10.03 -0.14 0
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12129 131103 1 N2O3C19H38 A2B3C19D38 -184.58 5.61 -9.04 0.7 0
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12130 131106 1 ClSF3N4O7C36H38 ABC3D4E7F36G38 -378.36 8.82 -9.7 -1.53 0
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12131 131116 1 ClNS2O5C23H26 ABC2D5E23F26 -146.7 9.2 -8.81 -1.74 0
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12132 131184 1 NCl2O2C18H19 AB2C2D18E19 -79.5 4.55 -9.38 -0.37 0
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12133 131187 1 BrPC29H38 ABC29D38 -34.13 13.93 -7.42 -1.64 0
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12134 131198 4 O5C12H19 A5B12C19 -955.24 6.58 -9.49 0.33 0
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12136 131207 1 O7C28H32 A7B28C32 -268.08 6.46 -9.86 -1.07 0
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12137 131214 1 ClON2C15H19 ABC2D15E19 28.55 2.72 -8.25 -0.12 0
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12138 131241 2 ON3C21H24 AB3C21D24 100.87 3.16 -6.75 -0.6 0
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12139 131278 1 SO4C10H16 AB4C10D16 -180.14 6.73 -10.07 0.17 0
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12140 131279 1 OF2N3H13C16 AB2C3D13E16 -36.32 4.71 -9.89 -0.74 0
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12141 131280 1 FOCl2N3H12C16 ABC2D3E12F16 -5.3 3.24 -9.84 -0.86 0
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12142 131281 1 O9C22H22 A9B22C22 -338.64 5.04 -10.09 -0.9 0