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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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442564 135253057 1 ON10H26C27 AB10C26D27 171.58 7.27 -8.46 -1.27 0
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442565 135253058 1 ClON5C22H26 ABC5D22E26 14.55 2.52 -8.63 -1.05 0
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442566 135253061 1 ClON5C21H24 ABC5D21E24 25.07 2.55 -8.67 -1.16 0
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442567 135253064 1 ClON5C22H26 ABC5D22E26 19.75 2.82 -8.66 -1.16 0
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442568 135253065 1 O2Cl3N4H15C18 A2B3C4D15E18 -13.61 3.56 -9.02 -1.51 0
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442569 135253067 1 Cl2O2N4C21H22 A2B2C4D21E22 -24.04 2.25 -8.77 -1.38 0
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442570 135253068 1 OCl2N3H17C22 AB2C3D17E22 32.11 7.61 -8.81 -0.95 0
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442571 135253070 1 OCl2N5H17C21 AB2C5D17E21 54.33 5.31 -8.92 -1.19 0
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442572 135253073 1 ClON3H20C23 ABC3D20E23 32.84 5.37 -8.5 -0.79 0
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442573 135253075 1 ClON4H17C21 ABC4D17E21 64.26 2.37 -8.67 -1.17 0
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442574 135253076 1 ClO2N5H20C22 AB2C5D20E22 25.59 1.63 -8.66 -1.1 0
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442575 135253079 1 ClO2N4H17C20 AB2C4D17E20 24.3 3.97 -8.64 -1.11 0
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442576 135253080 1 ClON5H18C21 ABC5D18E21 63.77 1.9 -8.68 -1.16 0
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442577 135253081 1 ClON3H24C25 ABC3D24E25 23.28 5.43 -8.54 -0.8 0
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442578 135253133 1 OCl2N4C22H24 AB2C4D22E24 -4.64 9.76 -8.74 -0.81 0
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442579 135253134 1 ClON5H22C23 ABC5D22E23 43.37 5.59 -8.65 -1.08 0
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442580 135253136 1 ClON5H20C22 ABC5D20E22 52.78 2.45 -8.66 -1.11 0
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442581 135253139 1 ClON4H19C21 ABC4D19E21 61.83 4.18 -8.63 -1.05 0
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442582 135253170 1 ClON7H16C18 ABC7D16E18 113.33 6.8 -8.87 -1.52 0
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442583 135253174 1 ClON6C22H27 ABC6D22E27 28.81 3.47 -8.49 -1.04 0
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442584 135253175 1 ClO2N6C23H27 AB2C6D23E27 -19.11 6.46 -8.67 -1.1 0
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442585 135253177 1 ClON6C24H31 ABC6D24E31 18.01 3.41 -8.38 -1.06 0
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442586 135253179 1 O2N4H18C21 A2B4C18D21 38.08 3.47 -8.53 -0.95 0
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442587 135253180 1 O2N6C21H26 A2B6C21D26 -2.08 13.34 -7.9 -1.19 0
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442588 135253183 1 ClO2N6H17C19 AB2C6D17E19 41.67 6.2 -8.3 -0.88 0
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442589 135253185 1 OCl2N6H14C18 AB2C6D14E18 70.53 7.12 -8.85 -1.04 0
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442590 135253186 1 ClON3C20H22 ABC3D20E22 -6.49 5.64 -8.53 -0.79 0
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442591 135253187 1 ClON3C18H18 ABC3D18E18 2.99 5.35 -8.49 -0.8 0
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442592 135253188 1 ClOF3N6H14C19 ABC3D6E14F19 -83.74 9.29 -9.29 -1.16 0
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442593 135253189 1 ClO2N6H19C20 AB2C6D19E20 50.2 9.35 -8.52 -1.29 0
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442594 135253190 1 OCl2N6H16C19 AB2C6D16E19 79.3 7.56 -9.04 -1.45 0
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442595 135253191 1 ClOF3N6H16C20 ABC3D6E16F20 -74.81 8.15 -9.59 -1.56 0
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442596 135253193 1 ClOF3N6H14C19 ABC3D6E14F19 -62.98 7.56 -9.61 -1.61 0
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442597 135253196 1 OCl2N5H19C21 AB2C5D19E21 39.51 8.67 -8.75 -0.82 0
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442598 135253197 1 ClON5C22H22 ABC5D22E22 40.7 6.44 -8.45 -0.67 0
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442599 135253243 1 ClO2N5C22H26 AB2C5D22E26 -27.46 3.12 -8.68 -1.13 0
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442600 135253245 1 ClSO3N4C20H21 ABC3D4E20F21 -64.17 6.07 -8.8 -1.35 0
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442601 135253252 1 ClO2N6H25C27 AB2C6D25E27 50.16 7.15 -8.62 -1.05 0
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442602 135253288 1 ClO2N5C23H26 AB2C5D23E26 -32.88 1.66 -8.69 -1.15 1
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442603 135253297 1 PSN4O9C14H16 ABC4D9E14F16 -246.55 11.32 0.0 0.0 0
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442604 135253300 1 ClFN3H13C15 ABC3D13E15 21.78 3.24 -8.73 -0.99 0
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442605 135253301 1 Cl2N3H13C15 A2B3C13D15 60.35 3.44 -8.71 -1.06 0
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442606 135253303 1 ClN3C16H20 AB3C16D20 47.04 2.74 -8.35 -0.64 0
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442607 135253304 1 BrClN3H9C13 ABC3D9E13 84.44 2.88 -8.89 -1.14 0
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442608 135253306 1 N3C17H23 A3B17C23 46.41 3.52 -8.12 -0.07 0
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442609 135253307 1 ON3C17H23 AB3C17D23 14.81 3.47 -8.12 -0.11 0
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442610 135253308 1 BrClN3H13C15 ABC3D13E15 72.18 3.52 -8.77 -1.09 0
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442611 135253309 1 BrN3C16H20 AB3C16D20 58.23 2.91 -8.39 -0.66 0
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442612 135253354 1 ClN4C15H15 AB4C15D15 76.15 2.83 -9.08 -0.81 1
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442613 135253357 1 PSN3O5C9H11 ABC3D5E9F11 -189.64 10.06 0.0 0.0 0
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442614 135253398 1 ON2C10H12 AB2C10D12 -6.81 2.37 -8.7 -0.25 0
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442615 135253401 1 ClN2O2H9C10 AB2C2D9E10 -37.64 2.71 -8.61 -0.64 0
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442616 135253402 1 ClN2O3H9C10 AB2C3D9E10 -76.65 1.09 -8.89 -0.86 0
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442617 135253403 1 ClN2C10H11 AB2C10D11 24.15 1.73 -8.43 -0.33 0
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442618 135253404 1 ClON2H9C10 ABC2D9E10 3.2 4.14 -9.16 -0.89 0
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442619 135253405 1 ClO3N6H19C20 AB3C6D19E20 5.12 2.97 -9.26 -1.29 0
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442620 135253406 1 ON3C13H17 AB3C13D17 14.69 8.06 -9.29 -0.3 0
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442621 135253408 1 OCl2N4C21H22 AB2C4D21E22 2.7 5.1 -8.91 -1.18 0
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442622 135253409 1 ClO2N3C15H18 AB2C3D15E18 -54.87 5.72 -9.56 -1.28 0
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442623 135253410 1 N5O5C24H29 A5B5C24D29 -123.02 10.62 -9.03 -0.58 0
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442624 135253412 1 ClON5H20C22 ABC5D20E22 59.67 1.95 -8.71 -1.17 0
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442625 135253414 2 ClON2C11H12 ABC2D11E12 -40.13 6.76 -8.82 -0.94 0
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442626 135253415 1 O4C13H24 A4B13C24 -226.38 0.45 -10.79 0.8 0
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442627 135253416 1 O4C15H28 A4B15C28 -219.06 2.71 -9.77 0.36 0
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442628 135253466 1 ClN4O11C36H47 AB4C11D36E47 -461.05 10.57 -9.85 -0.68 0
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442629 135253469 1 N9O13C29H51 A9B13C29D51 -568.77 10.38 -9.35 -0.13 0
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442630 135253470 1 N5O8C44H55 A5B8C44D55 -284.93 11.14 -9.03 -0.48 0
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442631 135253471 1 N5O6C44H57 A5B6C44D57 -212.2 7.72 -8.51 -0.11 0
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442632 135253509 1 ON3H31C51 AB3C31D51 210.2 1.69 -7.98 -1.22 0
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442633 135253513 1 ON3H27C45 AB3C27D45 195.09 3.79 -8.68 -1.13 0
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442634 135253515 1 ON3H23C37 AB3C23D37 162.55 3.55 -8.68 -1.18 0
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442635 135253516 1 SN3H27C43 AB3C27D43 221.07 1.29 -8.56 -1.1 0
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442636 135253517 1 ON3H23C37 AB3C23D37 163.55 3.51 -8.69 -1.1 0
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442637 135253518 1 SN3H31C46 AB3C31D46 211.64 1.18 -8.58 -1.13 0
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442638 135253520 1 OSN3H25C43 ABC3D25E43 192.74 1.29 -8.43 -1.21 0
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442639 135253523 1 S2N3H25C43 A2B3C25D43 226.67 2.06 -8.62 -1.17 0
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442640 135253525 1 SN3H27C43 AB3C27D43 220.64 1.17 -8.64 -1.14 0
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442641 135253527 1 SN3H33C56 AB3C33D56 283.21 1.16 -8.54 -1.27 0
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442642 135253528 1 ON2H24C41 AB2C24D41 164.85 3.97 -8.11 -1.24 0
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442643 135253532 1 ON3H27C43 AB3C27D43 186.12 1.11 -8.67 -1.08 0
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442644 135253579 1 ON4C27H28 AB4C27D28 47.7 6.0 -8.35 -0.35 0
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442645 135253624 1 O2N4H20C25 A2B4C20D25 56.18 3.78 -8.7 -0.6 0
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442646 135253628 1 ClOC8H11 ABC8D11 -44.41 2.11 -9.16 0.05 1
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442647 135253632 1 OPC26H26 ABC26D26 51.9 7.42 0.0 0.0 1
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442648 135253633 1 OPC26H26 ABC26D26 48.23 7.53 0.0 0.0 0
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442649 135253634 1 ClO2H9C11 AB2C9D11 -19.34 2.25 -8.5 -0.8 0
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442650 135253636 1 ClO2C13H13 AB2C13D13 -32.29 2.4 -8.42 -0.77 0
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442651 135253641 2 O3C13H25 A3B13C25 -354.73 3.29 -10.14 0.96 0
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442652 135253642 1 O6C25H48 A6B25C48 -348.87 3.2 -10.13 0.94 0
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442653 135253646 1 O7C31H40 A7B31C40 -267.92 4.66 -8.85 -0.27 0
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442654 135253647 1 P2N6O27C58H102 A2B6C27D58E102 -1346.91 11.25 -9.64 0.27 0
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442655 135253649 1 PF3N5O7C32H45 AB3C5D7E32F45 -437.75 3.73 -9.0 -0.08 0
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442656 135253794 1 FOSN4H11C14 ABCD4E11F14 36.41 3.31 -8.53 -1.46 0
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442657 135253846 1 NC14H27 AB14C27 -31.28 1.01 -8.1 1.48 0
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442658 135253976 2 ClNOH12C16 ABCD12E16 21.97 8.35 -8.41 -0.94 0
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442659 135254061 1 BrON2C24H29 ABC2D24E29 28.0 3.33 -8.63 -0.28 0
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442660 135254089 1 ON2C5H8 AB2C5D8 30.49 1.61 -9.21 -1.25 0
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442661 135254161 1 O3N4H36C41 A3B4C36D41 43.12 6.18 -8.33 -0.37 0
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442662 135254210 1 SF3O5C25H27 AB3C5D25E27 -339.3 4.65 -8.65 -1.26 0
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442663 135254325 1 ON6C23H30 AB6C23D30 52.72 6.55 -8.59 -0.22 0