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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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336511 127255518 1 NI2C5H11 AB2C5D11 -2.32 8.03 -8.53 -1.37 0
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336512 127255519 1 ClNOF3C9H9 ABCD3E9F9 -209.97 5.71 -8.91 -0.71 0
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336513 127255520 1 ClN2F3H4C9 AB2C3D4E9 -101.8 3.57 -10.25 -1.76 0
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336514 127255521 1 BrN2O2H5C9 AB2C2D5E9 50.67 3.58 -10.06 -2.06 0
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336515 127255522 1 O2F3H7C12 A2B3C7D12 -190.24 3.47 -9.51 -1.65 0
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336516 127255523 1 NO2C22H29 AB2C22D29 -73.4 2.75 -8.68 0.25 0
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336517 127255524 2 O2C7H13 A2B7C13 -217.46 2.45 -10.64 -0.07 0
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336518 127255525 1 ClNOC13H20 ABCD13E20 -60.41 1.69 -8.56 0.38 0
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336519 127255526 2 OC8H8 AB8C8 -58.07 1.52 -9.24 0.02 0
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336520 127255527 1 N2S3H26C32 A2B3C26D32 225.79 2.93 -7.93 -1.21 0
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336521 127255528 1 BrClNSO2C8H9 ABCDE2F8G9 -75.17 2.68 -9.01 -0.8 0
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336522 127255529 1 BrClON2H8C11 ABCD2E8F11 24.57 3.1 -9.64 -1.03 0
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336523 127255530 1 NO3H13C15 AB3C13D15 -59.17 2.74 -8.04 -0.24 0
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336524 127255531 1 ClON2C11H17 ABC2D11E17 -70.39 3.26 -9.77 -0.21 0
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336525 127255532 1 SN2O5C22H42 AB2C5D22E42 -297.98 4.12 -8.68 0.03 0
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336526 127255533 1 NSO5C10H19 ABC5D10E19 -253.3 4.13 -9.0 0.1 0
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336527 127255534 1 ClN2O2C12H25 AB2C2D12E25 -170.64 2.26 -9.55 0.92 0
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336528 127255535 1 HCl2N5C6 AB2C5D6 119.87 3.11 -10.31 -2.21 0
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336529 127255536 1 ClN2F3H4C9 AB2C3D4E9 -104.93 5.12 -10.31 -1.85 0
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336530 127255537 1 OCl2N2C8H18 AB2C2D8E18 -116.01 6.09 -9.3 1.21 0
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336531 127255538 1 N2O5C22H24 A2B5C22D24 -181.57 3.08 -9.03 -0.57 0
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336532 127255539 1 N2O4H36C39 A2B4C36D39 -46.67 7.1 -9.08 -0.63 0
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336533 127255540 1 ClO2N4C11H25 AB2C4D11E25 -134.15 4.43 -9.64 0.76 0
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336534 127255541 1 O2N4C11H24 A2B4C11D24 -92.86 3.32 -8.74 0.74 0
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336535 127255542 1 ClO2N4C11H25 AB2C4D11E25 -123.73 4.72 -9.12 0.27 0
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336536 127255543 1 O2N4C11H24 A2B4C11D24 -93.14 6.24 -9.26 0.46 0
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336537 127255544 1 ClNO2C10H14 ABC2D10E14 -114.44 6.5 -9.64 -0.15 0
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336538 127255545 1 N3O3C14H27 A3B3C14D27 -176.77 5.9 -9.48 0.95 0
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336539 127255546 1 O2N3C17H23 A2B3C17D23 -61.86 7.63 -8.21 0.33 0
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336540 127255547 1 N2O3C10H12 A2B3C10D12 -74.22 2.38 -10.59 -1.89 0
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336541 127255548 2 ClON2H8C9 ABC2D8E9 -11.85 7.23 -8.72 -1.29 0
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336542 127255549 2 FON2H8C9 ABC2D8E9 -87.4 7.31 -8.76 -1.28 0
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336543 127255550 1 ClFO2N4H16C18 ABC2D4E16F18 -52.49 7.42 -8.73 -1.32 0
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336544 127255551 1 ClFN3H5C8 ABC3D5E8 8.52 3.93 -9.07 -1.45 0
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336545 127255552 1 Cl2F2O2N5H11C20 A2B2C2D5E11F20 1.33 2.04 -9.34 -1.88 -1
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336546 127255553 1 FN3O3C22H23 AB3C3D22E23 -102.64 5.47 0.0 0.0 0
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336547 127255554 1 FN3O3C22H24 AB3C3D22E24 -131.89 4.05 -9.54 -1.19 -1
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336548 127255555 1 BFNO4C20H22 ABCD4E20F22 -228.18 3.86 0.0 0.0 0
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336549 127255556 1 BFNO4C20H23 ABCD4E20F23 -261.36 6.62 -9.37 -0.56 0
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336550 127255557 1 BO2N5C12H16 AB2C5D12E16 -59.27 4.67 -9.7 -0.88 0
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336551 127255558 1 BrFNO5C13H15 ABCD5E13F15 -234.74 3.94 -9.37 -0.75 0
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336552 127255559 1 BrFNO3H9C10 ABCD3E9F10 -147.53 4.24 -9.64 -0.79 0
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336553 127255560 1 FO2N6C16H17 AB2C6D16E17 -4.43 5.34 -8.72 -0.55 0
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336554 127255561 1 O2N6C25H26 A2B6C25D26 48.9 5.86 -7.98 -0.31 0
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336555 127255562 1 ClON6C22H25 ABC6D22E25 34.88 4.82 -7.74 -0.57 0
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336556 127255563 1 ON6C22H24 AB6C22D24 69.41 4.54 -7.89 -0.46 0
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336557 127255564 1 O3N7C31H35 A3B7C31D35 38.95 7.59 -8.4 -0.7 0
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336558 127255565 1 O3N11C33H37 A3B11C33D37 122.77 5.83 -8.18 -1.44 0
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336559 127255566 1 O2N7C28H33 A2B7C28D33 59.21 5.6 -8.14 -0.64 0
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336560 127255567 1 ClF3N4H8C11 AB3C4D8E11 -104.18 6.1 -8.83 -1.34 0