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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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169015 75054358 1 ClN3O5H17C18 AB3C5D17E18 -120.37 8.49 0.0 0.0 0
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169016 75054363 1 O2F4C21H22 A2B4C21D22 -256.7 4.72 -9.77 -1.25 0
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169017 75054637 1 ClNO2H16C17 ABC2D16E17 -52.79 6.06 -9.4 -0.5 0
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169018 75054875 1 N5O8C38H55 A5B8C38D55 -331.51 8.15 -9.4 -0.71 0
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169019 75054916 1 ClN3O5H12C17 AB3C5D12E17 -33.12 4.54 -9.37 -1.71 0
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169020 75054985 1 ClN2O8C32H37 AB2C8D32E37 -280.19 3.85 -8.34 -0.64 0
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169021 75054986 1 ClN2O3C22H29 AB2C3D22E29 -92.28 2.02 -8.55 0.0 0
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169022 75055148 1 NO10C34H47 AB10C34D47 -453.15 6.52 -9.16 -0.82 0
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169023 75055149 1 FNO11C34H46 ABC11D34E46 -539.37 5.03 -9.43 -0.79 0
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169024 75055150 1 F2N5O11C36H55 A2B5C11D36E55 -571.18 5.52 -9.23 -0.75 0
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169025 75055151 1 F2N5O13C38H57 A2B5C13D38E57 -657.36 5.96 -9.42 -1.04 0
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169026 75055223 1 N5F6O6C20H21 A5B6C6D20E21 -500.55 3.27 -10.3 -1.19 0
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169027 75055945 1 N5O10C43H63 A5B10C43D63 -374.59 11.36 -8.97 -1.03 0
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169028 75056020 1 IO2N4C19H21 AB2C4D19E21 1.51 7.79 -9.23 -1.65 0
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169029 75056200 1 SN2O3C20H30 AB2C3D20E30 -165.23 1.76 -9.1 -0.01 0
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169030 75056438 1 NC15H27 AB15C27 -21.87 1.43 -8.4 1.29 0
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169031 75057617 1 SCl2N4O4H22C23 AB2C4D4E22F23 -87.81 6.26 -8.77 -0.86 0
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169032 75057618 1 SCl2O3N4H22C26 AB2C3D4E22F26 -32.47 8.48 -8.7 -1.01 0
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169033 75057619 1 SCl3O3N4H17C21 AB3C3D4E17F21 -49.09 7.61 -9.08 -1.14 0
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169034 75057620 1 N12O16C65H76 A12B16C65D76 -624.98 12.2 -8.79 -0.46 0
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169035 75057621 1 ClFSN3O4C30H41 ABCD3E4F30G41 -224.84 0.8 -9.05 -0.51 0
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169036 75057838 1 ClSN2O5C32H35 ABC2D5E32F35 -151.38 4.41 -9.42 -0.64 0
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169037 75057839 1 ClSN3O4C31H34 ABC3D4E31F34 -111.95 8.38 -9.48 -0.78 0
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169038 75058196 1 N4O4H18C19 A4B4C18D19 7.85 12.42 -8.83 -0.82 0
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169039 75058265 1 O7C26H40 A7B26C40 -368.43 7.43 -10.04 0.24 0
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169040 75058400 1 ON7C22H27 AB7C22D27 73.95 17.1 -8.24 -1.06 0
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169041 75058443 1 N3O5H19C21 A3B5C19D21 -27.43 8.23 -9.93 -1.1 0
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169042 75058444 4 NOH4C5 ABC4D5 46.62 10.99 -9.9 -1.13 0
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169043 75058561 1 N4O6H100C109 A4B6C100D109 170.99 4.72 -8.76 0.0 0
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169044 75058562 1 S2Si2O5C37H48 A2B2C5D37E48 -246.71 3.68 -8.5 -0.44 0
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169045 75058765 1 NOF2C27H43 ABC2D27E43 -167.52 4.1 -9.32 -0.1 0
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169046 75059045 1 SN4O4C29H38 AB4C4D29E38 -71.0 2.48 -8.52 -0.33 1
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169047 75059293 1 ClFS2O3N5C22H24 ABC2D3E5F22G24 -37.12 4.02 0.0 0.0 0
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169048 75059294 1 ClFN2S3O5H20C23 ABC2D3E5F20G23 -148.51 9.24 -8.74 -1.52 1
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169049 75059295 1 O3N4C32H49 A3B4C32D49 -127.09 1.27 0.0 0.0 1
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169050 75059296 1 SN3O5C31H46 AB3C5D31E46 -200.31 8.29 0.0 0.0 2
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169051 75059346 1 O4N5C31H35 A4B5C31D35 -55.41 4.1 -8.65 -1.25 -1
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169052 75059347 1 FN2O6C33H34 AB2C6D33E34 -238.19 3.75 0.0 0.0 0
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169053 75059434 1 SO8C21H26 AB8C21D26 -318.06 3.45 -8.85 -0.31 1
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169054 75059458 1 O4N6C15H17 A4B6C15D17 -70.72 2.47 0.0 0.0 0
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169055 75059459 1 Na2S2O7N9H25C34 A2B2C7D9E25F34 -140.74 16.08 -8.33 -1.77 0
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169056 75059460 1 S2O7N9H27C34 A2B7C9D27E34 -13.85 6.25 -8.33 -2.32 0
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169057 75059461 1 O13H20C22 A13B20C22 -505.28 8.35 -9.18 -2.31 0
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169058 75059462 1 N2Na3S3H11O11C20 A2B3C3D11E11F20 -485.61 35.34 -8.85 -2.33 0
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169060 75059464 4 BrCH ABC 37.93 0.07 -10.14 -1.13 0
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169061 75059465 4 ClC2H3 AB2C3 -42.39 3.08 -9.91 -0.25 0
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169062 75059466 4 ClC2H3 AB2C3 -34.99 2.98 -10.38 -0.33 0
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169063 75059467 1 AsN2S2Na3H10O11C16 AB2C2D3E10F11G16 -510.42 19.9 -9.02 -1.95 0
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169064 75059468 1 SN4O6C23H36 AB4C6D23E36 -146.11 13.87 -8.49 -1.33 0
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169065 75059469 18 CH2 AB2 -62.93 0.55 -9.08 1.54 0
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169066 75059470 18 CH2 AB2 -56.4 0.61 -9.41 1.48 0
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169067 75059658 1 OSC10H12 ABC10D12 1.22 1.41 -8.96 -0.4 0
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169068 75060061 1 F2N3O16C32H41 A2B3C16D32E41 -510.68 5.2 -9.98 -1.51 0
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169069 75060062 1 F2N3O20C41H49 A2B3C20D41E49 -637.09 9.79 -9.37 -1.67 0
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169070 75060086 1 BKNOF3C13H18 ABCDE3F13G18 -387.22 7.1 -8.55 0.25 -1
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169071 75060087 1 BNOF3C13H18 ABCD3E13F18 -298.92 4.28 0.0 0.0 0
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169072 75060104 1 FN3O14C32H42 AB3C14D32E42 -472.07 12.07 -9.79 -1.77 0
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169073 75060105 1 FN3O14C33H44 AB3C14D33E44 -478.52 9.52 -9.71 -1.1 0
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169074 75060106 1 FNO10C27H36 ABC10D27E36 -331.24 4.2 -8.9 -1.12 0
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169075 75060107 1 FN2O14C31H41 AB2C14D31E41 -472.11 7.9 -9.82 -1.23 0
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169076 75060579 1 ClN2O17C36H47 AB2C17D36E47 -582.46 9.81 -9.61 -1.25 0
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169077 75060662 2 SO3N5C29H35 AB3C5D29E35 -157.22 4.57 -8.81 -0.76 0
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169078 75061292 1 O31C63H102 A31B63C102 -1454.29 6.98 -9.51 0.05 0
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169079 75061293 1 O31C62H100 A31B62C100 -1436.75 6.9 -10.02 -0.15 0
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169080 75061294 1 O11C31H38 A11B31C38 -418.74 2.23 -9.87 -1.22 0
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169081 75061295 1 O32C63H102 A32B63C102 -1501.15 5.77 -9.88 -0.03 0
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169082 75061592 1 Cl2N3C18H21 A2B3C18D21 27.95 4.23 -8.27 -0.36 1
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169083 75061593 1 BrO3N4C10H12 AB3C4D10E12 -93.08 3.96 0.0 0.0 0
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169084 75061594 2 NO2C11H11 AB2C11D11 0.24 3.64 -8.9 -1.3 0
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169085 75061595 1 NO2C11H11 AB2C11D11 41.7 2.13 -8.72 -1.03 0
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169086 75061596 1 N2O7C16H16 A2B7C16D16 -88.73 10.74 -8.99 -1.91 0
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169087 75061716 1 NO5C32H39 AB5C32D39 -151.68 1.34 -8.44 -1.37 0
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169088 75061786 1 FN4O4H25C27 AB4C4D25E27 -72.13 8.34 -8.85 -0.72 0
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169089 75062084 1 ClO3N5C22H22 AB3C5D22E22 3.82 5.82 -8.71 -0.94 0
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169090 75062348 1 ClN4O4H27C28 AB4C4D27E28 -41.93 2.45 -9.06 -0.68 0
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169091 75062416 1 SN2O3H16C19 AB2C3D16E19 -34.62 3.1 -8.9 -1.2 0
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169092 75062489 1 ZnCl2S2N6H26C30 AB2C2D6E26F30 147.07 7.42 -8.93 -1.78 0
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169093 75062832 1 ClNO5H20C21 ABC5D20E21 -84.07 30.98 -6.75 -2.3 0
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169094 75062836 1 BrO4N5C12H14 AB4C5D12E14 -138.71 9.37 -9.17 -2.56 0
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169095 75063045 1 SN3F9O12H34C38 AB3C9D12E34F38 -909.58 14.88 -9.25 -2.99 1
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169096 75063300 1 N3O5C28H34 A3B5C28D34 -127.63 4.78 0.0 0.0 0
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169097 75063471 1 ClFOSN3C13H15 ABCDE3F13G15 -50.02 6.02 -9.37 -1.01 0
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169098 75063511 1 S2O4N5H13C15 A2B4C5D13E15 -73.62 2.93 -8.82 -2.04 0
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169099 75063512 1 ClSO2N5C14H16 ABC2D5E14F16 31.16 17.36 -7.09 -1.24 0
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169100 75063513 1 ClSO3N5C12H18 ABC3D5E12F18 -125.21 8.72 -9.93 -1.46 0
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169101 75063514 1 SO3N5C12H17 AB3C5D12E17 -83.55 5.84 -9.52 -0.97 0
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169102 75064032 1 ClN2O2H11C19 AB2C2D11E19 21.26 5.35 -9.2 -1.78 0
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169103 75064707 2 ClNSC16H16 ABCD16E16 98.01 10.85 -7.49 -0.9 0
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169104 75065095 1 PN5O7C11H14 AB5C7D11E14 -289.09 4.33 -9.38 -0.92 0
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169105 75065186 1 SO4N5H9C12 AB4C5D9E12 30.92 5.22 -9.66 -1.78 0
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169106 75065414 1 NO7C26H31 AB7C26D31 -223.85 4.82 -8.67 -0.84 0
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169107 75065495 1 ClFO2N9C18H19 ABC2D9E18F19 87.27 5.93 -9.38 -1.35 0
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169108 75065700 1 NO5H19C21 AB5C19D21 -32.08 2.6 -9.28 -1.83 0
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169109 75065701 1 O3H20C21 A3B20C21 -36.57 3.04 -9.04 -0.93 0
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169110 75065702 1 O3C22H22 A3B22C22 -35.56 2.19 -9.16 -0.83 0
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169111 75065703 1 O3C23H24 A3B23C24 -41.16 2.8 -9.21 -0.51 0
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169112 75065704 1 NO5C20H23 AB5C20D23 -79.15 3.99 -9.06 -0.96 0
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169113 75066088 1 SO2N4H10C13 AB2C4D10E13 30.32 6.47 -9.63 -1.55 0
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169114 75067005 1 O3C24H28 A3B24C28 -90.29 2.19 -8.66 -0.65 0
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169115 75067066 1 SSi3N5O7C40H69 AB3C5D7E40F69 -411.5 3.48 -8.42 -0.41 0