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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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