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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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438032 135227545 1 N2O2C15H20 A2B2C15D20 -79.9 4.52 -8.54 0.0 0
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438033 135227546 1 NH21C22 AB21C22 90.46 1.5 -8.21 -0.44 0
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438034 135227547 1 NC15H21 AB15C21 160.31 1.89 -8.02 0.37 0
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438035 135227548 1 F2C7H10 A2B7C10 -94.11 1.47 -9.71 0.48 0
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438036 135227549 2 OSN2C6H8 ABC2D6E8 -34.68 2.17 -9.21 -0.96 0
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438037 135227550 1 NH21C22 AB21C22 166.01 1.01 -8.05 -0.57 0
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438038 135227551 1 NC24H33 AB24C33 25.45 2.42 -8.39 0.51 0
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438039 135227552 1 NC14H25 AB14C25 -17.86 1.07 -8.74 2.97 0
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438040 135227553 1 NH11C13 AB11C13 166.31 2.62 -8.39 -0.34 0
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438041 135227554 1 NH13C17 AB13C17 183.55 2.44 -8.43 -0.52 0
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438042 135227555 1 NH21C22 AB21C22 98.94 2.1 -8.05 -1.05 0
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438043 135227556 1 NC13H13 AB13C13 98.47 1.52 -8.48 -0.07 0
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438044 135227557 1 NH23C29 AB23C29 135.15 2.16 -8.02 -0.26 0
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438045 135227558 1 NC20H23 AB20C23 54.56 1.52 -7.84 0.32 0
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438046 135227559 1 F4C9H10 A4B9C10 -187.28 2.26 -9.48 -0.46 0
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438047 135227560 1 NOC15H17 ABC15D17 -10.18 1.41 -8.03 0.1 0
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438048 135227561 1 NC20H27 AB20C27 19.22 1.53 -8.04 0.42 0
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438049 135227562 1 NC22H29 AB22C29 16.33 2.12 -7.66 0.26 0
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438050 135227563 1 NH19C21 AB19C21 99.72 1.56 -8.24 -0.52 0
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438051 135227564 1 NC13H19 AB13C19 56.01 1.19 -8.04 -0.08 0
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438052 135227565 1 NC18H29 AB18C29 2.84 1.36 -8.31 0.51 0
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438053 135227566 1 NH19C21 AB19C21 102.54 0.82 -7.68 -0.88 0
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438054 135227567 1 NC15H23 AB15C23 45.53 0.97 -8.22 0.08 0
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438055 135227568 1 F3C6H7 A3B6C7 -127.24 1.81 -10.31 -0.08 0
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438056 135227569 1 NC20H21 AB20C21 78.45 3.13 -7.79 -0.08 0
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438057 135227570 1 NH19C23 AB19C23 102.41 1.31 -8.29 -0.63 0
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438058 135227571 1 NC15H17 AB15C17 123.16 2.67 -8.22 -0.11 0
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438059 135227572 1 FC6H11 AB6C11 -60.41 2.3 -10.03 0.94 0
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438060 135227573 1 NC20H27 AB20C27 21.16 1.27 -8.14 0.54 0
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438061 135227574 1 NC15H17 AB15C17 27.39 2.92 -7.51 0.32 -1
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438062 135227575 1 SN2O5C18H19 AB2C5D18E19 -100.65 8.56 0.0 0.0 0
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438063 135227576 1 SN2O5C18H20 AB2C5D18E20 -119.59 5.99 -8.89 -0.62 -1
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438064 135227577 1 SN2O6H17C18 AB2C6D17E18 -103.68 2.97 0.0 0.0 0
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438065 135227578 1 SN2O6C18H18 AB2C6D18E18 -156.63 3.2 -9.04 -0.92 0
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438066 135227637 1 OS5N6H42C82 AB5C6D42E82 430.45 4.53 -8.13 -1.36 0
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438067 135227638 1 FIN3H15C19 ABC3D15E19 68.39 3.77 -8.36 -1.17 0
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438068 135227639 1 FIN4H14C19 ABC4D14E19 116.48 3.92 -8.55 -1.17 0
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438069 135227640 1 FIN4H12C13 ABC4D12E13 71.66 5.32 -9.01 -1.38 0
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438070 135227641 1 IN5C13H14 AB5C13D14 115.69 3.01 -8.22 -1.27 0
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438071 135227642 1 OF2N4H18C20 AB2C4D18E20 -38.95 2.89 -8.09 -0.7 0
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438072 135227643 1 OS3N6H50C94 AB3C6D50E94 456.69 7.4 -7.79 -1.61 0
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438073 135227644 1 OS5N6H42C82 AB5C6D42E82 431.58 5.92 -8.1 -1.37 0
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438074 135227645 1 NC20H21 AB20C21 48.07 2.16 -7.85 0.29 0
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438075 135227646 1 NI2H11C18 AB2C11D18 111.23 3.4 -8.38 -2.7 0
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438076 135227647 1 SN2H46C67 AB2C46D67 288.77 3.91 -7.9 -0.66 0
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438077 135227648 1 NC19H19 AB19C19 66.33 1.4 -8.23 -0.29 0
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438078 135227649 1 BrNC6H8 ABC6D8 26.51 2.64 -8.36 0.13 0
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438079 135227650 1 NSC11H15 ABC11D15 16.73 1.47 -8.45 -0.27 0
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438080 135227651 1 ClISN3O3C17H25 ABCD3E3F17G25 -39.1 6.62 -7.14 -1.09 0
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438081 135227652 1 ClSO3N5C21H30 ABC3D5E21F30 -25.46 5.59 -7.18 -0.45 0