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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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191021 78095082 1 FN4O8C42H49 AB4C8D42E49 -341.43 8.75 -9.05 -0.45 0
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191022 78095083 1 ClF2N4O6C40H45 AB2C4D6E40F45 -308.74 6.13 -8.5 -0.7 0
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191023 78095131 1 NH27C29 AB27C29 134.48 3.0 -8.16 -0.29 0
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191024 78095163 1 FN3O6C36H46 AB3C6D36E46 -303.09 1.97 -8.88 -0.28 0
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191025 78095164 1 FN3O6C36H46 AB3C6D36E46 -303.66 1.89 -8.98 -0.34 0
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191026 78095290 1 NSiO2C27H35 ABC2D27E35 -87.88 2.74 -8.19 -0.38 0
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191027 78095291 1 NO2H15C18 AB2C15D18 -9.98 3.21 -8.16 -0.6 0
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191028 78095292 1 NSiO2C27H33 ABC2D27E33 -72.26 4.49 -8.29 -0.83 0
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191029 78095839 1 INSiO4C22H26 ABCD4E22F26 -93.8 3.86 -8.45 -0.86 0
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191030 78096108 1 ClNO3C9H18 ABC3D9E18 -180.65 3.56 -9.98 -0.06 0
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191031 78096136 2 OC6H9 AB6C9 -80.9 3.95 -9.92 0.14 0
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191032 78096137 1 NO2C12H19 AB2C12D19 -67.64 6.01 -9.49 0.36 0
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191033 78096138 2 BrC5H7 AB5C7 5.69 0.13 -9.3 -0.33 0
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191034 78096431 1 BrON4H21C23 ABC4D21E23 42.62 1.51 -8.74 -0.46 0
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191035 78097970 1 SiO3C22H30 AB3C22D30 -144.5 2.45 -8.95 -0.19 0
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191036 78097971 1 SiO3C24H30 AB3C24D30 -130.04 3.98 -9.09 -0.67 0
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191037 78098121 1 O45C81H128 A45B81C128 -2046.06 10.41 -9.35 -0.37 0
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191038 78098357 1 BrN3O4C15H20 AB3C4D15E20 -164.95 6.13 -9.17 -0.47 0
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191039 78098358 1 NO2F9H20C26 AB2C9D20E26 -518.71 8.6 -9.88 -1.38 0
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191040 78098841 1 N4O5C48H54 A4B5C48D54 -118.91 3.04 -8.68 -0.61 0
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191041 78099349 1 OSN3C42H55 ABC3D42E55 -12.16 3.59 -8.39 -1.04 0
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191042 78099494 1 O3C16H24 A3B16C24 -140.93 1.47 -9.53 0.75 0
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191043 78099495 1 O5C24H38 A5B24C38 -264.33 3.81 -9.46 0.79 0
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191044 78099615 1 NO6H17C21 AB6C17D21 -102.91 6.57 -9.57 -1.44 0
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191045 78099718 1 O5H16C19 A5B16C19 -129.48 5.12 -9.37 -0.52 0
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191046 78099719 1 SO4H16C19 AB4C16D19 -92.2 3.96 -9.29 -0.59 0
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191047 78099720 1 O4H20C25 A4B20C25 -80.57 3.59 -8.96 -0.61 0
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191048 78099721 1 O5H24C25 A5B24C25 -158.42 3.16 -9.07 -0.69 0
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191049 78099722 1 BrO4H21C23 AB4C21D23 -114.09 4.48 -9.3 -0.4 0
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191050 78099723 1 Cl2O3N4H22C28 A2B3C4D22E28 -22.51 4.91 -8.99 -0.87 0
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191051 78099724 1 O3C32H48 A3B32C48 -128.15 5.32 -8.83 0.9 0
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191052 78099725 1 O3C33H50 A3B33C50 -123.63 3.8 -8.74 0.92 0
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191053 78099876 1 O9C22H30 A9B22C30 -371.26 7.23 -9.15 -0.5 0
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191054 78099877 2 O3C9H17 A3B9C17 -323.17 8.82 -9.87 0.67 0
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191055 78099878 1 O6C19H36 A6B19C36 -328.15 6.44 -9.86 0.64 0
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191056 78099879 2 O3C5H9 A3B5C9 -287.73 2.15 -10.26 0.4 0
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191057 78099880 2 O3C6H11 A3B6C11 -294.96 5.47 -10.08 0.73 0
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191058 78099938 1 ClF5O6N7H25C30 AB5C6D7E25F30 -393.1 5.52 -9.51 -1.17 0
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191059 78100202 1 N2O3C25H30 A2B3C25D30 -72.01 7.07 -8.93 -0.47 0
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191060 78100262 1 NOH17C21 ABC17D21 51.22 2.64 -8.07 -0.48 0
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191061 78100671 2 O4C9H14 A4B9C14 -341.59 5.52 -9.91 -0.62 0
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191062 78100672 4 O2C5H8 A2B5C8 -348.8 3.63 -9.91 -0.65 0
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191063 78100673 2 O4C11H18 A4B11C18 -309.21 6.13 -9.28 -0.88 0
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191064 78100674 1 O7C21H36 A7B21C36 -318.57 3.4 -9.47 0.32 0
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191065 78101022 1 N2O4C15H16 A2B4C15D16 -60.99 8.88 -8.56 -1.3 0
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191066 78101260 1 O2N3C20H21 A2B3C20D21 36.33 8.04 -8.14 -2.15 1
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191067 78101261 1 O2N3H36C38 A2B3C36D38 56.97 2.98 0.0 0.0 0
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191068 78101488 1 SF3N3O4C19H24 AB3C3D4E19F24 -292.35 7.19 -9.36 -0.62 0
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191069 78101602 1 O2N7C23H23 A2B7C23D23 72.77 16.93 -7.88 -1.79 0
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191070 78101604 2 O7N9C31H41 A7B9C31D41 -526.39 7.16 -8.41 -0.35 0