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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79728 49830169 1 N3O4H21C23 A3B4C21D23 -74.76 8.76 -8.48 -1.74 0
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79729 49830173 1 ClSN2O3H15C21 ABC2D3E15F21 -35.98 4.82 -8.96 -1.55 1
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79730 49830177 1 ClFO2N3H20C23 ABC2D3E20F23 -9.62 4.26 0.0 0.0 0
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79731 49830178 1 SO2N3C24H27 AB2C3D24E27 -50.58 4.64 -8.94 -0.56 -1
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79732 49830180 1 ClSN3O3H17C20 ABC3D3E17F20 -5.43 3.34 0.0 0.0 0
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79733 49830181 1 ClSN3O3H18C20 ABC3D3E18F20 -50.86 4.94 -9.02 -1.39 0
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79734 49830183 1 N2O5C23H26 A2B5C23D26 -178.1 3.13 -8.77 -0.35 1
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79735 49830186 1 NO2C28H34 AB2C28D34 -2.14 1.94 0.0 0.0 0
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79736 49830188 1 N4O5H20C21 A4B5C20D21 -118.19 10.03 -8.63 -1.23 0
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79737 49830198 1 NOC17H23 ABC17D23 -22.99 3.01 -8.57 0.31 0
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79738 49830199 1 O2N3C29H33 A2B3C29D33 -15.85 5.95 -8.05 -0.12 0
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79739 49830202 1 NO2C22H23 AB2C22D23 -24.98 2.44 -8.9 -0.21 0
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79740 49830217 1 OF3N5C18H20 AB3C5D18E20 -142.82 6.43 -9.12 -0.59 0
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79741 49830219 2 ON4C14H18 AB4C14D18 -13.36 8.39 -8.67 -0.58 0
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79742 49830220 1 O2S2N3C21H29 A2B2C3D21E29 -61.16 9.71 -8.43 -0.23 0
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79743 49830221 1 S2N3O4C27H39 A2B3C4D27E39 -175.48 4.32 -8.26 -0.06 0
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79744 49830230 1 NO4C19H19 AB4C19D19 -100.06 3.82 -8.27 -0.65 0
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79745 49830237 1 BrN3O3C27H30 AB3C3D27E30 -67.88 9.53 -8.68 -0.54 0
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79746 49830239 1 FN3O4C24H24 AB3C4D24E24 -133.38 10.78 -8.0 -0.73 0
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79747 49830241 1 BrN3O3H22C23 AB3C3D22E23 -45.57 4.38 -8.85 -0.6 0
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79748 49830242 1 BrN3O3C24H24 AB3C3D24E24 -52.98 6.02 -8.59 -0.55 0
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79749 49830250 1 ClN3O4C24H24 AB3C4D24E24 -96.64 4.07 -8.36 -0.47 0
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79750 49830253 1 O3N4H24C25 A3B4C24D25 -2.14 4.18 -8.28 -0.76 0
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79751 49830255 1 ON4C23H28 AB4C23D28 21.52 4.14 -8.02 -0.51 0
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79752 49830257 1 OSN4H20C21 ABC4D20E21 72.9 3.44 -8.02 -0.37 0