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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177660 76209786 1 ClFN2O2H10C13 ABC2D2E10F13 -33.23 2.84 -9.04 -0.7 0
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177661 76209787 1 N2O3C14H18 A2B3C14D18 -112.71 8.18 -9.59 -0.17 0
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177662 76209788 1 ClN2O2C12H17 AB2C2D12E17 -47.14 4.01 -8.81 -0.49 0
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177663 76209789 1 ClO2N3C13H20 AB2C3D13E20 -37.5 4.36 -8.81 -0.46 0
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177664 76209799 1 ClO2N3H12C13 AB2C3D12E13 12.78 1.33 -8.99 -0.6 0
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177665 76210691 1 N2O5C11H18 A2B5C11D18 -224.22 6.42 -9.98 -0.9 1
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177666 76210749 1 BrO2N3C13H13 AB2C3D13E13 -30.43 4.55 0.0 0.0 0
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177667 76210914 1 BrNO2C14H16 ABC2D14E16 -37.52 2.96 -9.71 -0.63 0
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177668 76210931 1 O2N5C12H23 A2B5C12D23 -16.39 3.71 -9.12 0.63 0
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177669 76211160 2 NOC8H10 ABC8D10 -24.29 6.82 -8.26 -1.21 0
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177670 76211289 1 BrNSO4H16C21 ABCD4E16F21 -91.45 7.97 -8.25 -1.15 -1
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177671 76211301 1 NH4O7C10 AB4C7D10 -152.22 2.69 0.0 0.0 0
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177672 76212366 1 ClSN2O5C22H23 ABC2D5E22F23 -186.98 7.51 -9.19 -0.5 0
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177673 76212404 1 NO11C27H31 AB11C27D31 -440.91 6.5 -9.29 -1.27 0
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177674 76212647 1 SN4O6H22C28 AB4C6D22E28 -25.97 4.82 -8.53 -1.47 -1
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177675 76212874 1 SO3N5H20C22 AB3C5D20E22 -0.01 10.42 0.0 0.0 -1
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177676 76212875 1 SO3N5H18C19 AB3C5D18E19 -26.68 8.84 0.0 0.0 0
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177677 76213198 1 SO3N4C27H34 AB3C4D27E34 -54.35 3.39 -8.5 -1.29 0
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177678 76213431 1 S2O4N7C14H15 A2B4C7D14E15 -4.77 8.16 -9.14 -2.32 0
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177679 76213432 1 ClSN2O4H15C24 ABC2D4E15F24 -54.51 8.54 -8.8 -1.85 0
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177680 76213838 1 FN3O3C33H36 AB3C3D33E36 -110.25 4.41 -8.34 -0.73 0
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177681 76214014 1 N2O2F3C15H17 A2B2C3D15E17 -232.76 7.18 -9.65 -0.54 0
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177682 76215288 1 FN5O8C26H26 AB5C8D26E26 -254.53 6.69 -8.81 -1.45 0
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177683 76215289 1 FSN3O9C22H24 ABC3D9E22F24 -379.27 3.26 -8.85 -1.55 0
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177684 76215290 1 FN4O8C30H31 AB4C8D30E31 -315.42 16.08 -8.58 -1.34 0
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177685 76215372 1 N5O8C34H37 A5B8C34D37 -306.16 6.13 -9.07 -1.49 -1
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177686 76216277 1 SN2O6H17C22 AB2C6D17E22 -154.43 12.48 0.0 0.0 -1
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177687 76216414 1 N3O4H18C20 A3B4C18D20 -72.16 5.75 0.0 0.0 0
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177688 76216816 1 F3N3O3H14C20 A3B3C3D14E20 -188.94 4.02 -9.82 -1.65 0
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177689 76216817 1 N3O7C35H41 A3B7C35D41 -244.79 9.81 -8.57 -1.31 0
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177690 76218048 1 ClNO4H10C13 ABC4D10E13 -118.97 6.0 -9.57 -1.93 0
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177691 76218049 1 NO4H13C14 AB4C13D14 -128.31 3.86 -9.07 -1.39 0
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177692 76218050 1 N3O3C11H11 A3B3C11D11 -56.21 5.02 -9.09 -1.1 0
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177693 76218051 1 BrSN3O4H8C9 ABC3D4E8F9 -126.02 2.86 -10.36 -1.86 0
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177694 76218052 1 BrFN2O3H10C12 ABC2D3E10F12 -135.47 7.28 -10.17 -1.36 0
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177695 76218147 1 N5O6C7H9 A5B6C7D9 -173.31 8.32 -10.64 -0.93 0
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177696 76218278 1 NSF3O3H10C11 ABC3D3E10F11 -241.36 7.76 -9.77 -1.56 0
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177697 76218744 2 ON2C6H12 AB2C6D12 -67.17 3.64 -8.74 0.52 0
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177698 76218745 1 O2N4C11H22 A2B4C11D22 -65.45 3.78 -8.76 0.65 0
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177699 76218746 1 O2N3C14H27 A2B3C14D27 -79.48 4.6 -9.12 0.64 0
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177700 76218747 1 O2N3C13H25 A2B3C13D25 -85.15 4.27 -8.74 0.76 0
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177701 76218758 1 O3N4C11H22 A3B4C11D22 -105.27 3.16 -9.1 0.73 0
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177702 76218779 1 O2N5C11H23 A2B5C11D23 -70.57 3.57 -9.01 0.79 0
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177703 76218839 1 NO3C9H11 AB3C9D11 -83.4 1.06 -9.0 -0.03 0
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177704 76219214 1 NC11H21 AB11C21 -7.39 2.08 -8.96 0.4 0
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177705 76219215 1 N2C5H12 A2B5C12 -0.28 3.12 -8.38 1.3 0
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177706 76219216 1 NC13H27 AB13C27 -42.03 1.83 -9.32 1.4 0
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177707 76219283 3 OC3H4 AB3C4 -115.57 5.48 -9.06 -0.26 0
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177708 76219396 1 O3C11H12 A3B11C12 -107.98 5.27 -9.04 -0.53 0
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177709 76219891 1 NO2C11H17 AB2C11D17 -95.32 2.69 -8.54 0.25 0