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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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220592 85197922 1 NO3C21H21 AB3C21D21 -64.73 5.64 -9.21 -1.18 0
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220593 85197923 1 O2N3C20H21 A2B3C20D21 -31.81 2.89 -8.78 -0.26 0
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220594 85197926 1 SiN3O3C16H25 AB3C3D16E25 -32.12 7.57 -8.72 -0.91 0
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220595 85197927 1 NO3C20H33 AB3C20D33 -194.37 4.84 -9.73 1.33 0
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220596 85197929 1 N3C22H29 A3B22C29 46.01 1.67 -8.73 0.15 0
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220597 85197930 1 NO2S4C12H17 AB2C4D12E17 -23.79 6.99 -8.64 -0.28 0
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220598 85197931 1 NSiO2C19H33 ABC2D19E33 -113.22 2.89 -8.85 -0.1 0
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220599 85197932 1 ClFOSN3C15H17 ABCDE3F15G17 -70.28 8.24 -8.94 -0.72 0
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220601 85197936 1 O9C14H24 A9B14C24 -391.45 4.86 -10.38 0.01 0
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220602 85197937 1 O5H16C20 A5B16C20 -122.77 6.48 -9.17 -0.86 1
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220603 85197938 1 SO2N4H11C17 AB2C4D11E17 92.3 2.69 0.0 0.0 0
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220604 85197939 1 N2O5C17H24 A2B5C17D24 -170.68 5.11 -9.44 -0.24 0
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220605 85197940 1 N2O5C17H24 A2B5C17D24 -206.54 6.73 -9.11 0.03 0
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220606 85197950 4 OC5H8 AB5C8 -202.26 2.28 -8.82 0.5 0
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220608 85197959 1 ClO3N4C15H17 AB3C4D15E17 -60.55 6.18 -9.54 -1.56 0
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220609 85197960 1 ClON4H11C18 ABC4D11E18 122.99 1.2 -9.76 -2.71 0
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220610 85197978 1 O3N4C18H18 A3B4C18D18 -43.09 4.01 -8.55 -0.69 0
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220612 85198008 1 SN3O4C15H21 AB3C4D15E21 -163.08 5.76 -8.7 -0.47 0
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220613 85198010 1 NO3C21H25 AB3C21D25 -73.94 4.49 -8.93 0.0 0
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220614 85198027 1 O7C17H24 A7B17C24 -308.0 3.07 -10.53 -0.15 0
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220615 85198037 1 N2O5C17H28 A2B5C17D28 -270.37 6.29 -9.68 0.19 0
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220616 85198054 1 N3O4C18H19 A3B4C18D19 -134.83 11.89 -8.98 -1.32 0
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220618 85198058 1 NO6C17H27 AB6C17D27 -256.45 3.8 -9.05 0.43 2
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220619 85198063 1 O2N5C18H23 A2B5C18D23 46.68 8.95 -8.08 -1.44 0
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220620 85198068 1 NO5C18H31 AB5C18D31 -254.6 6.02 -9.72 0.5 0