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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146717 53734088 1 N2H36C39 A2B36C39 147.63 1.71 -8.45 -0.4 0
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146718 53734132 1 ON2C16H18 AB2C16D18 51.97 5.28 -9.1 -0.64 0
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146719 53734179 1 SO2C18H38 AB2C18D38 -167.17 5.61 -10.55 0.95 0
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146720 53735023 1 Cl2O4N5C31H33 A2B4C5D31E33 -44.84 4.87 -8.5 -0.81 0
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146721 53735236 1 N2C15H26 A2B15C26 2.24 3.47 -7.95 0.69 0
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146722 53735337 1 O2N4C23H28 A2B4C23D28 -36.77 6.59 -8.61 -0.18 0
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146723 53735565 1 SN4O7H22C25 AB4C7D22E25 -132.88 4.62 -9.34 -1.1 0
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146724 53737239 1 S4O5N9H19C20 A4B5C9D19E20 68.68 8.17 -8.96 -1.25 0
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146726 53737633 1 O5C22H38 A5B22C38 -261.97 4.94 -9.65 -0.16 0
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146727 53737634 1 NO3C25H29 AB3C25D29 -61.85 4.13 -8.42 0.11 0
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146728 53738183 1 N11O14C74H125 A11B14C74D125 -595.1 7.94 -8.07 0.04 0
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146729 53738608 1 SO2N4C18H22 AB2C4D18E22 -10.36 6.95 -8.62 -1.08 0
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146730 53739331 1 ClS2N3C16H16 AB2C3D16E16 59.9 1.97 -8.73 -0.68 0
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146731 53739335 1 ClSO2C19H19 ABC2D19E19 -21.51 3.6 -7.86 -0.48 0
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146732 53739622 1 NOC19H25 ABC19D25 -28.86 2.9 -9.27 0.23 0
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146733 53740065 1 NO3H15C20 AB3C15D20 39.46 3.46 -9.02 -1.5 0
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146734 53740066 2 NC8H14 AB8C14 -23.34 2.77 -7.53 0.5 0
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146735 53740067 1 Cl2N2O4H12C15 A2B2C4D12E15 -66.43 7.1 -9.25 -1.61 0
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146736 53740553 1 SO2C33H66 AB2C33D66 -229.54 2.51 -8.8 -0.64 0
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146737 53740611 1 NO6C14H15 AB6C14D15 -195.05 3.95 -8.43 -0.84 0
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146738 53740951 1 NOSF3H14C18 ABCD3E14F18 -144.54 7.06 -8.87 -1.02 0
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146739 53741811 1 N3H17C19 A3B17C19 163.61 3.8 -9.26 -1.12 0
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146740 53742103 1 SN2H14C15 AB2C14D15 66.44 3.7 -8.38 -0.66 0
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146741 53742416 1 ClNOC22H26 ABCD22E26 -17.19 5.17 -9.01 -0.77 0
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146742 53742417 1 ClSN2O5C13H13 ABC2D5E13F13 -193.77 4.49 -9.78 -1.05 0
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146743 53742521 2 IC3H6 AB3C6 -5.71 0.4 -9.68 -1.61 0
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146744 53742889 1 O15C76H140 A15B76C140 -934.38 4.32 -10.02 -0.42 1
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146745 53742933 1 NPO4C22H47 ABC4D22E47 -288.4 10.52 0.0 0.0 0
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146746 53743054 1 O2N8C33H34 A2B8C33D34 70.66 5.39 -8.93 -0.74 0
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146747 53743249 1 O2C15H16 A2B15C16 -50.28 4.22 -9.07 -0.5 0
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146748 53743321 1 N2O3C20H22 A2B3C20D22 -70.89 1.92 -9.63 -0.93 0
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146749 53743322 1 O3N4C8H8 A3B4C8D8 -70.49 5.74 -8.54 -1.34 0
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146751 53743347 2 FOH10C11 ABC10D11 -127.02 4.41 -8.94 -1.12 0
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146752 53744113 1 ClON2C20H21 ABC2D20E21 1.5 2.31 -8.16 -0.01 1
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146753 53744273 1 BrON6H12C14 ABC6D12E14 148.95 4.72 0.0 0.0 0
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146754 53744743 1 N11O11C57H111 A11B11C57D111 -400.35 4.65 -8.15 0.76 0
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146755 53745181 1 NO7C29H37 AB7C29D37 -290.83 4.63 -9.52 -0.04 0
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146756 53745234 2 ON2C3H6 AB2C3D6 -85.6 2.78 -9.7 0.6 0
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146757 53745235 1 SO2N5C21H21 AB2C5D21E21 25.96 5.3 -8.42 -0.69 0
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146758 53745236 2 NO3C12H20 AB3C12D20 -309.18 5.56 -9.17 0.24 0
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146759 53745305 1 S5O6N7C17H17 A5B6C7D17E17 -17.79 8.31 -8.96 -1.4 0
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146760 53745391 1 NO2C16H17 AB2C16D17 -17.61 2.6 -9.37 0.0 0
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146761 53745392 1 N3O3C21H25 A3B3C21D25 -49.44 5.96 -8.82 -0.62 0
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146762 53745625 1 FSiO3N4C18H35 ABC3D4E18F35 -223.84 5.78 -9.01 -0.04 1
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146763 53746042 1 SO3F4N6H13C15 AB3C4D6E13F15 -171.3 1.9 0.0 0.0 0
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146764 53746061 1 N5C11H11 A5B11C11 89.93 3.33 -8.53 -0.97 0
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146765 53746074 1 C17H30 A17B30 -17.16 0.57 -9.01 1.27 0
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146766 53746092 1 N2O2C19H24 A2B2C19D24 -36.82 1.18 -8.5 -0.1 0
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146767 53746207 1 SiO8C24H38 AB8C24D38 -432.87 2.63 -8.89 -0.8 0
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146768 53746208 1 F2N2O6H12C15 A2B2C6D12E15 -218.52 0.57 -9.91 -1.64 0