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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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185549 77312877 1 S2F3N4O5C17H17 A2B3C4D5E17F17 -307.42 5.46 -9.2 -1.23 0
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185550 77312971 1 O7C10H18 A7B10C18 -324.38 2.72 -10.2 0.6 0
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185551 77313078 1 ClSF2N2O5C25H25 ABC2D2E5F25G25 -221.91 2.82 -8.82 -0.87 0
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185552 77313453 1 O4N5C25H39 A4B5C25D39 -135.65 3.89 -9.02 -0.25 0
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185553 77314135 1 N3O7C25H37 A3B7C25D37 -321.73 2.49 -9.79 -0.9 0
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185554 77314136 1 BN2O3C17H28 AB2C3D17E28 -123.66 4.19 0.0 0.0 0
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185555 77314137 1 NO3C16H19 AB3C16D19 -91.47 4.03 -9.56 -0.08 0
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185556 77314138 1 SN2O4H14C17 AB2C4D14E17 -45.48 7.09 -9.05 -1.12 0
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185557 77314141 1 NO5C16H19 AB5C16D19 -176.64 6.88 -10.23 -0.82 0
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185558 77314400 1 ClN5C20H20 AB5C20D20 112.92 5.29 -7.95 -0.58 0
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185559 77314502 1 SN6C22H28 AB6C22D28 81.17 4.35 -7.78 -0.24 0
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185560 77314503 1 NO8C35H43 AB8C35D43 -296.32 2.99 -9.2 0.14 0
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185561 77314504 1 SN7C12H17 AB7C12D17 79.54 1.51 -7.73 -0.22 0
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185562 77314505 1 SN5C15H21 AB5C15D21 40.04 2.87 -7.85 -0.27 0
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185563 77314506 1 SO2N5C22H25 AB2C5D22E25 -0.54 2.48 -7.76 -0.38 0
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185564 77314507 1 SN5C22H27 AB5C22D27 67.98 3.06 -7.79 -0.24 0
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185565 77314508 2 ON2C10H12 AB2C10D12 -3.18 3.35 -8.86 -0.55 0
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185566 77314555 1 SN4O4H26C27 AB4C4D26E27 -72.51 6.52 -9.22 -1.01 0
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185567 77314556 1 SN4O4H24C26 AB4C4D24E26 -40.35 7.19 -8.72 -0.79 0
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185568 77314618 1 BrO2N6C22H29 AB2C6D22E29 -29.71 2.76 -9.03 -0.48 0
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185569 77314619 1 BrO2N6C22H29 AB2C6D22E29 -29.91 3.15 -9.02 -0.5 1
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185570 77314620 1 BrO2N5C26H35 AB2C5D26E35 -20.33 2.34 0.0 0.0 0
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185571 77315038 1 F2S2N4O7C32H46 A2B2C4D7E32F46 -403.9 5.33 -8.87 -1.14 0
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185572 77315039 1 NO2C14H21 AB2C14D21 -93.57 1.81 -9.08 0.36 0
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185573 77315040 2 NO2C7H8 AB2C7D8 -145.36 6.84 -8.43 -0.41 1
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185574 77315041 1 O2N8C26H29 A2B8C26D29 38.33 5.45 0.0 0.0 0
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185575 77315042 2 NO4C20H25 AB4C20D25 -234.6 5.91 -8.0 0.16 0
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185576 77315043 1 ClSF2N2O6C25H29 ABC2D2E6F25G29 -335.36 7.06 -9.65 -0.97 0
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185577 77315661 2 N2O3C18H23 A2B3C18D23 -172.77 12.02 -8.51 -0.33 0
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185578 77315662 1 NO5C22H23 AB5C22D23 -181.27 3.11 -9.02 -0.57 0
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185579 77315797 1 N4O5C25H30 A4B5C25D30 -134.41 7.24 -9.19 -0.45 0
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185580 77316101 1 N4O5C19H26 A4B5C19D26 -169.12 5.08 -9.08 -0.55 0
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185581 77316102 1 NO6C17H23 AB6C17D23 -245.91 6.07 -9.68 -0.72 0
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185582 77316505 1 ClN2F3O5H26C32 AB2C3D5E26F32 -255.63 5.79 -9.07 -0.92 0
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185583 77316586 1 Cl2O2N3H19C23 A2B2C3D19E23 -20.28 6.52 -9.36 -0.92 0
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185584 77316865 1 O2N3C24H27 A2B3C24D27 23.28 3.54 -8.46 -0.31 0
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185585 77316949 1 ON3C11H17 AB3C11D17 -1.87 2.73 -9.0 -0.53 0
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185586 77317017 1 FCl2O5H21C24 AB2C5D21E24 -225.45 3.11 -9.66 -1.07 0
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185587 77317135 1 F2O6C29H38 A2B6C29D38 -363.01 2.07 -10.06 -0.79 0
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185588 77317136 1 OSN4C16H18 ABC4D16E18 17.9 2.5 -8.96 -0.67 0
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185589 77317344 1 ClFN2O4C23H26 ABC2D4E23F26 -207.32 4.04 -9.58 -0.24 0
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185590 77318247 1 NSO16C42H55 ABC16D42E55 -689.24 3.23 -8.8 -1.8 0
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185591 77318248 12 COH2 ABC2 -546.47 5.93 -10.27 -0.3 0
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185592 77318249 1 NSO5C13H19 ABC5D13E19 -205.58 4.23 -9.92 -0.82 0
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185593 77318275 1 ClON2C21H25 ABC2D21E25 -4.75 3.71 -8.56 0.05 0
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185594 77318779 1 ClSN3O4C26H32 ABC3D4E26F32 -135.61 6.29 -8.8 -0.94 0
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185595 77318826 1 FO2C30H39 AB2C30D39 -132.11 2.55 -9.06 -0.69 0
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185596 77319130 1 O5N6C28H48 A5B6C28D48 -218.12 5.78 -9.64 -1.01 0
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185597 77319138 1 N5O8C36H65 A5B8C36D65 -464.13 8.28 -9.64 -0.04 0
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185598 77319267 1 NOC16H19 ABC16D19 -21.17 3.21 -8.27 0.2 0