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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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44067 10500646 1 BrN2H19C22 AB2C19D22 74.01 2.86 -8.31 -0.53 0
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44068 10500647 1 N3O6H13C20 A3B6C13D20 -144.14 4.83 -9.75 -1.83 0
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44069 10500648 1 F3N3O5C16H20 A3B3C5D16E20 -368.86 8.89 -9.38 -0.39 0
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44070 10500649 1 N3O3C14H19 A3B3C14D19 -120.33 1.67 -9.14 -0.15 0
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44071 10500650 1 F3N3O3H16C19 A3B3C3D16E19 -185.33 3.09 -9.0 -1.35 0
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44072 10500651 1 BrOSC20H23 ABCD20E23 -20.89 4.67 -8.83 -0.63 0
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44073 10500654 1 FSO3N5C17H18 ABC3D5E17F18 -64.01 9.07 -9.01 -0.93 0
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44074 10500655 1 O2N3H17C25 A2B3C17D25 84.73 6.21 -8.9 -0.85 0
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44075 10500656 1 NPO4C21H30 ABC4D21E30 -247.24 6.86 -9.68 0.01 0
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44076 10500658 1 NO6C21H29 AB6C21D29 -261.2 4.2 -9.69 -0.21 0
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44077 10500659 1 NO6C21H29 AB6C21D29 -248.6 3.5 -8.82 -0.19 0
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44078 10500661 1 NO4C24H25 AB4C24D25 -79.6 5.79 -8.31 -0.42 0
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44079 10500663 1 N3O5C20H29 A3B5C20D29 -228.93 5.2 -9.07 -1.19 0
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44080 10500664 1 N5O6C16H33 A5B6C16D33 -288.57 4.51 -9.59 0.66 0
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44081 10500665 1 SO2N3H21C22 AB2C3D21E22 24.41 1.97 -8.59 -0.38 0
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44082 10500667 1 BrOSiC19H39 ABCD19E39 -153.6 2.36 -8.81 -0.04 0
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44083 10500668 1 N3O4C21H33 A3B4C21D33 -216.55 3.82 -9.45 0.27 0
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44084 10500669 1 O2N3C24H29 A2B3C24D29 6.22 6.24 -8.63 0.01 0
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44085 10500670 1 N3H25C27 A3B25C27 111.01 1.87 -8.95 -0.58 0
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44086 10500671 1 NSO4C21H29 ABC4D21E29 -140.64 7.51 -8.58 -0.55 0
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44087 10500672 1 NSO4C21H29 ABC4D21E29 -181.75 3.43 -9.24 0.07 0
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44088 10500673 1 NO4C23H37 AB4C23D37 -91.72 4.87 -8.76 0.56 0
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44089 10500675 1 NSO3C22H33 ABC3D22E33 -160.38 5.13 -8.64 -0.22 0
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44090 10500676 1 NSO3C22H33 ABC3D22E33 -125.34 7.4 -9.03 -0.04 0
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44091 10500679 1 NSiO2C24H29 ABC2D24E29 -56.05 3.08 -8.32 -0.24 0
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44092 10500680 1 NOC27H37 ABC27D37 -16.16 3.68 -8.53 0.3 0
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44093 10500681 1 NSC26H33 ABC26D33 24.39 4.25 -8.39 0.07 0
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44094 10500683 1 ClN3O3H14C21 AB3C3D14E21 8.5 2.05 -8.96 -1.05 0
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44095 10500684 1 ClFN3O3C19H19 ABC3D3E19F19 -97.94 8.61 -9.07 -0.79 0
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44096 10500685 1 ClO2N3H18C22 AB2C3D18E22 8.97 3.36 -8.9 -1.06 0
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44097 10500687 1 ClNO4C21H26 ABC4D21E26 19.31 13.09 -9.9 -2.29 0
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44098 10500689 1 ClNH18C27 ABC18D27 115.57 2.11 -8.28 -0.7 0
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44099 10500692 1 Cl2N3O4H11C17 A2B3C4D11E17 -112.48 4.51 -9.5 -1.34 0
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44100 10500693 1 NSCl2O6H11C14 ABC2D6E11F14 -147.54 5.03 -9.49 -1.61 0
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44101 10500694 1 BrNO6C15H22 ABC6D15E22 -219.17 1.7 -9.56 -0.28 0
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44102 10500695 1 BrNO4C18H18 ABC4D18E18 -127.15 4.3 -9.51 -0.24 1
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44103 10500700 1 N4C15H29 A4B15C29 38.49 0.64 0.0 0.0 0
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44104 10500702 1 O4N6H16C19 A4B6C16D19 98.35 10.66 -9.52 -1.87 0
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44105 10500710 1 SN4O5C17H20 AB4C5D17E20 -121.28 7.33 -8.94 -0.79 0
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44106 10500711 1 SO3N4H16C20 AB3C4D16E20 37.72 2.14 -8.45 -1.25 0
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44107 10500712 1 OSN2F3H19C20 ABC2D3E19F20 -109.36 7.93 -8.38 -0.26 0
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44108 10500713 1 O5C24H24 A5B24C24 -139.79 3.62 -8.32 -0.28 0
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44109 10500715 2 NO3C10H14 AB3C10D14 -275.58 3.45 -9.76 -0.18 0
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44110 10500716 1 N2O4C23H24 A2B4C23D24 -119.92 6.58 -9.49 -0.65 0
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44111 10500717 1 N2O4C23H24 A2B4C23D24 -116.42 6.23 -9.1 -0.84 0
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44112 10500721 1 O3N4C22H24 A3B4C22D24 -21.17 7.49 -8.81 -0.5 0
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44113 10500737 1 O5C23H36 A5B23C36 -238.59 4.81 -10.0 -0.89 2
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44115 10500802 1 ClON5H20C21 ABC5D20E21 49.42 8.08 -8.48 -0.81 0
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44116 10500807 1 IN2O2H15C16 AB2C2D15E16 9.76 5.87 -9.35 -1.32 0
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44117 10500830 2 N4H9C11 A4B9C11 178.67 1.67 -8.97 -1.06 0