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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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338520 127259212 1 NO4C12H15 AB4C12D15 -126.58 3.96 -8.8 0.07 0
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338521 127259213 1 ClN2O3H13C15 AB2C3D13E15 -69.7 4.91 -8.88 -0.95 0
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338522 127259214 1 SN2O4C17H20 AB2C4D17E20 -128.82 3.97 -8.57 -0.08 0
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338523 127259215 1 SN2O3C12H18 AB2C3D12E18 -115.05 2.88 -8.45 0.1 0
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338524 127259216 1 SN2O4C11H16 AB2C4D11E16 -154.04 2.21 -8.41 -0.06 0
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338525 127259217 1 ClNO3C5H6 ABC3D5E6 -72.05 5.4 -9.67 -1.15 0
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338526 127259218 1 N2O2S2C9H12 A2B2C2D9E12 -44.57 6.4 -8.9 -1.53 0
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338527 127259219 1 NSO4C12H17 ABC4D12E17 -156.88 4.0 -8.45 -0.21 0
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338528 127259220 1 SO5C8H14 AB5C8D14 -228.98 0.63 -9.62 -0.58 0
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338529 127259221 1 NSO5C11H13 ABC5D11E13 -179.87 5.37 -10.12 -0.81 0
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338530 127259222 1 SN2O6C17H18 AB2C6D17E18 -131.48 3.34 -9.63 -1.05 0
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338531 127259246 1 NSO3C10H19 ABC3D10E19 -157.52 3.43 -9.31 -0.24 0
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338532 127259247 1 SN2O3C9H12 AB2C3D9E12 -62.89 2.65 -8.94 -0.65 0
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338533 127259248 1 SN2O2C10H12 AB2C2D10E12 -30.58 2.29 -8.47 -0.28 0
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338534 127259249 1 NO4C12H13 AB4C12D13 -128.67 5.11 -9.61 -0.48 0
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338535 127259250 1 NSO3C8H15 ABC3D8E15 -119.21 4.73 -8.48 0.24 0
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338536 127259251 1 Cl2N2O5H6C9 A2B2C5D6E9 -65.66 5.22 -10.56 -2.05 0
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338537 127259252 1 NCl2O3H9C10 AB2C3D9E10 -79.71 3.25 -9.79 -0.79 0
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338538 127259253 1 SN2O2C11H12 AB2C2D11E12 -13.33 5.82 -8.65 -0.67 0
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338539 127259254 1 SCl2O4H10C14 AB2C4D10E14 -122.52 6.22 -9.4 -1.06 0
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338540 127259255 1 Cl2O5H16C18 A2B5C16D18 -170.91 6.8 -9.25 -0.62 0
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338541 127259256 1 Cl3O4H9C11 A3B4C9D11 -168.13 6.26 -9.73 -1.32 0
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338542 127259257 1 SCl2O5H8C13 AB2C5D8E13 -149.68 2.53 -8.85 -1.56 0
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338543 127259258 1 NO3C17H21 AB3C17D21 -105.17 2.22 -8.69 -0.46 0
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338544 127259259 1 NO6C14H17 AB6C14D17 -167.37 8.18 -9.95 -1.26 0
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338545 127259260 1 N2O2C13H20 A2B2C13D20 -72.75 4.13 -9.25 0.21 0
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338546 127259261 1 O4C17H22 A4B17C22 -155.6 1.39 -8.72 0.38 0
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338547 127259262 1 ClO4H17C18 AB4C17D18 -133.09 3.87 -9.05 -0.83 0
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338548 127259263 1 O5C13H16 A5B13C16 -197.86 1.98 -9.31 -0.04 0
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338549 127259264 1 NO4C12H13 AB4C12D13 -132.77 5.4 -9.61 -0.67 0
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338550 127259265 1 NO4C13H17 AB4C13D17 -166.12 7.33 -9.29 -0.34 0
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338551 127259562 1 NSO2C8H9 ABC2D8E9 -53.57 1.25 -9.97 -1.18 0
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338552 127259563 1 NO2C13H17 AB2C13D17 -52.61 4.42 -9.75 -0.65 0
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338553 127259564 1 ON2C8H16 AB2C8D16 -26.98 3.95 -9.32 0.8 0
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338554 127259565 1 N3C17H21 A3B17C21 65.8 3.19 -8.67 -0.2 0
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338555 127259566 1 N2O3H8C10 A2B3C8D10 1.88 3.85 -8.97 -0.78 0
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338556 127259567 1 ON2C9H12 AB2C9D12 -11.08 3.74 -9.0 -0.21 0
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338557 127259568 2 ClNOC7H8 ABCD7E8 -13.26 1.32 -9.64 -0.71 0
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338558 127259569 1 ClN2O2C15H19 AB2C2D15E19 -12.67 3.48 -9.68 -0.48 0
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338559 127259570 1 ON2F3H9C11 AB2C3D9E11 -102.21 1.45 -9.66 -0.73 0
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338560 127259571 1 SN2O2C16H22 AB2C2D16E22 -2.06 3.5 -8.51 -0.18 0
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338561 127259572 1 N2C13H14 A2B13C14 58.28 7.02 -8.74 0.13 0
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338562 127259573 1 BrSN4C9H9 ABC4D9E9 84.7 7.58 -9.13 -1.15 0
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338563 127259574 1 ClSN4C9H9 ABC4D9E9 82.29 7.56 -9.14 -1.15 0
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338564 127259575 1 ISN4C9H9 ABC4D9E9 105.95 7.73 -9.06 -1.91 0
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338565 127259576 1 O5C16H16 A5B16C16 -143.45 3.34 -8.39 -0.57 0
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338566 127259577 1 NO2H23C27 AB2C23D27 30.85 2.85 -8.33 -0.65 0
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338567 127259578 1 NH25C26 AB25C26 62.94 2.9 -8.7 -0.03 0
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338568 127259579 1 N2H22C25 A2B22C25 103.2 6.27 -8.09 -0.99 0
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338569 127259580 1 O4N5C10H13 A4B5C10D13 -97.76 9.5 -9.19 -0.75 -1