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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15031 427769 1 NSC16H22 ABC16D22 59.02 3.19 0.0 0.0 1
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15033 427794 1 ClNO4C8H23 ABC4D8E23 -117.96 12.98 0.0 0.0 1
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15034 427805 1 PN2C21H32 AB2C21D32 -15.02 6.12 0.0 0.0 0
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15035 427813 1 O3N4H17C19 A3B4C17D19 52.46 1.64 0.0 0.0 1
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15037 427843 1 NCl2O3C21H28 AB2C3D21E28 -100.09 2.82 0.0 0.0 1
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15038 427845 1 N2O2C16H25 A2B2C16D25 -25.55 3.65 0.0 0.0 1
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15039 427846 1 NCl2O2C20H26 AB2C2D20E26 -64.92 3.51 0.0 0.0 1
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15040 427847 1 NCl3O3C21H27 AB3C3D21E27 -103.76 5.2 0.0 0.0 1
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15041 427854 1 NCl2O3C18H22 AB2C3D18E22 -74.43 4.31 0.0 0.0 1
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15042 427857 1 AsNO2C17H41 ABC2D17E41 -95.15 3.78 0.0 0.0 1
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15043 427858 1 O2C17H22 A2B17C22 -70.55 2.03 -9.5 0.2 0
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15044 427860 1 C3N4H6 A3B4C6 49.31 3.83 -10.17 0.27 0
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15045 427861 1 C2H5N5 A2B5C5 73.6 1.57 -9.74 -0.04 0
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15046 427862 1 PC6O6H16 AB6C6D16 -287.54 3.35 0.0 0.0 1
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15048 427867 1 PSN3C39H84 ABC3D39E84 -190.61 5.64 -8.0 1.31 0
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15049 427935 1 S2O5C20H27 A2B5C20D27 -203.78 2.85 0.0 0.0 1
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15050 427962 1 NSO6C15H15 ABC6D15E15 -201.24 7.72 -9.36 -0.88 0
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15051 428017 1 NO3C6H9 AB3C6D9 -122.98 2.16 -9.17 1.21 0
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15052 428040 2 O3C4H8 A3B4C8 -281.17 5.79 -10.02 0.92 0
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15053 428049 1 NOC26H47 ABC26D47 -120.62 1.77 -8.63 2.86 0
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15054 428050 1 N2O2C18H19 A2B2C18D19 -27.96 6.27 0.0 0.0 1
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15055 428054 2 OH12C13 AB12C13 -61.66 0.17 -9.01 -1.11 0
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15056 428199 1 N2S2O4C10H15 A2B2C4D10E15 -146.93 7.88 0.0 0.0 1
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15057 428206 1 Cl2N5C8H13 A2B5C8D13 38.62 5.78 -9.09 -0.94 0
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15058 428254 1 O17C26H36 A17B26C36 -766.26 1.69 -10.17 0.46 0
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15059 428261 1 NO3C17H21 AB3C17D21 -57.33 5.79 -7.5 0.2 0
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15060 428278 1 NO4H23C25 AB4C23D25 -106.81 2.27 -8.01 -1.88 0
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15061 428304 1 N2S2F3O5C14H16 A2B2C3D5E14F16 -305.07 6.57 0.0 0.0 1
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15062 428306 1 NS2F3O6H19C21 AB2C3D6E19F21 -321.03 3.64 0.0 0.0 1
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15064 428320 1 NO3C19H23 AB3C19D23 -98.76 2.46 -9.21 -0.26 0
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15065 428477 1 NO2C9H11 AB2C9D11 -88.19 3.63 -10.57 -0.1 0
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15066 428478 2 O2C5H6 A2B5C6 -167.67 6.16 -10.58 -0.16 0
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15067 428548 1 NO2C16H16 AB2C16D16 -12.79 1.38 0.0 0.0 1
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15068 428565 2 O2N3C11H17 A2B3C11D17 -42.49 4.58 -8.68 -1.62 0
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15069 428729 1 N2O2C19H30 A2B2C19D30 -117.18 1.81 -9.17 1.1 0
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15070 428751 1 O2N7H9C12 A2B7C9D12 101.84 6.07 -9.92 -1.78 0
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15071 428776 1 O11C17H30 A11B17C30 -513.32 7.85 -9.6 -0.59 0
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15072 428779 1 OSH11C14 ABC11D14 6.8 4.1 0.0 0.0 0
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15073 428836 1 SO3C6H12 AB3C6D12 -150.79 3.9 -10.99 0.17 0
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15074 428870 1 NC24H44 AB24C44 -16.55 1.05 0.0 0.0 1
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15075 428876 1 PtN2Cl6C10H14 AB2C6D10E14 28.46 6.76 -9.76 -2.94 0
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15076 428907 1 CuN4O4C8H20 AB4C4D8E20 -27.81 4.82 0.0 0.0 0
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15077 428915 1 OC13H24 AB13C24 -87.94 1.9 -9.19 1.39 0
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15078 428964 1 NOI2H11C14 ABC2D11E14 49.21 4.22 -9.0 -1.1 0
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15079 428972 1 NOBr2H9C13 ABC2D9E13 31.64 3.67 -9.18 -1.19 0
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15080 428980 1 CoN2O4H26C28 AB2C4D26E28 -102.87 11.63 0.0 0.0 0
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15081 429003 1 PC17H20 AB17C20 53.87 8.17 0.0 0.0 0
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15082 429012 1 O4N5C11H15 A4B5C11D15 -107.31 2.98 -9.07 -0.51 0
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15083 429038 1 NO4C21H21 AB4C21D21 -77.27 4.24 -7.7 -0.6 0
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15084 429053 1 Br2P5N14O40C64H83 A2B5C14D40E64F83 -1933.36 3.9 -9.63 -2.24 0
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15085 429088 2 NO3C12H13 AB3C12D13 -206.8 5.66 -9.49 -1.19 0
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15086 429115 1 NO3C18H19 AB3C18D19 -35.74 3.07 -7.39 -0.02 0
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15087 429139 1 PN3O7C14H22 AB3C7D14E22 -337.36 8.32 -9.02 -0.86 0
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15089 429247 1 ClON2C10H13 ABC2D10E13 13.23 3.26 -9.05 -0.38 0
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15090 429250 1 NO3C5H5 AB3C5D5 -128.11 1.96 -11.07 -0.58 0
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15091 429252 1 FN3O3C14H16 AB3C3D14E16 -43.33 2.17 -8.84 -1.75 0
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15092 429253 1 BrC13H21 AB13C21 -62.41 3.58 -10.14 0.27 0
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15093 429317 1 N2O3C17H20 A2B3C17D20 -88.55 9.62 -8.52 -0.74 0
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15094 429323 1 NO4C20H21 AB4C20D21 -87.13 3.2 -8.27 -0.61 0
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15095 429378 1 ClCuC4N4O4H11 ABC4D4E4F11 -8.3 7.01 0.0 0.0 -2
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15096 429388 1 ON2C12H18 AB2C12D18 -0.33 5.27 -9.24 0.58 0
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15097 429399 1 SO2C12H12 AB2C12D12 -7.65 5.75 -9.67 0.39 0
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15098 429401 1 O2N3H13C16 A2B3C13D16 29.94 3.97 -9.2 -0.5 0
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15099 429416 2 NO3H10C12 AB3C10D12 -1.85 4.96 -9.09 -2.47 0
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15100 429513 1 N3O9C31H41 A3B9C31D41 -353.34 7.68 -8.61 -2.01 0
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15102 429531 1 ClOSN2H9C14 ABCD2E9F14 43.1 5.04 -9.01 -1.43 0
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15103 429581 2 NO4C10H20 AB4C10D20 -401.79 5.26 -8.9 0.05 0
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15104 429651 1 Cl2N3O4C21H31 A2B3C4D21E31 -213.29 5.45 -8.49 0.0 0
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15105 429653 1 Cl2N2O6C13H24 A2B2C6D13E24 -222.78 5.43 -8.54 -0.16 2
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15106 429654 1 NPO2H21C27 ABC2D21E27 29.73 13.99 0.0 0.0 0
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15107 429733 1 SO3H5F9C10 AB3C5D9E10 -534.19 2.48 -9.82 -1.63 0
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15108 429738 1 SO3H7F9C14 AB3C7D9E14 -517.2 2.88 -9.06 -1.7 0
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15109 429743 1 SO2N3H11C12 AB2C3D11E12 15.47 4.67 -9.46 -0.84 0
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15110 429745 2 NH9C10 AB9C10 90.9 3.98 -7.73 -0.32 0
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15111 429823 1 BrON2H13C15 ABC2D13E15 45.64 2.64 -9.28 -0.7 0
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15112 429830 1 NPO2H25C29 ABC2D25E29 23.65 19.7 0.0 0.0 0
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15113 429833 1 PtN2O6C10H18 AB2C6D10E18 -178.32 6.72 -9.32 -0.93 0
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15114 429835 1 SN3O9C28H29 AB3C9D28E29 -308.7 5.53 -8.91 -1.89 0
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15115 429836 1 SN2O10C32H32 AB2C10D32E32 -342.42 7.27 -8.86 -1.91 0
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15116 429837 1 S2N3O10C30H31 A2B3C10D30E31 -329.65 7.22 -8.96 -1.92 0
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15117 429838 1 SN3O7C27H27 AB3C7D27E27 -199.89 6.24 -8.81 -1.7 0
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15118 429979 1 AgN4O4H32C34 AB4C4D32E34 -115.35 13.69 0.0 0.0 -4
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15119 430086 1 NC18H38 AB18C38 -37.04 0.44 0.0 0.0 1
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15120 430087 1 NC20H42 AB20C42 -44.56 0.4 0.0 0.0 1
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15121 430091 1 NC20H42 AB20C42 -42.11 0.56 0.0 0.0 1
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15122 430093 1 NC24H50 AB24C50 -65.24 0.54 0.0 0.0 1
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15124 430098 2 CNSH3 ABCD3 38.18 4.78 -8.9 -0.64 0
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15125 430108 1 NBr2O2C31H43 AB2C2D31E43 -86.48 4.34 -8.76 -1.13 0
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15126 430149 2 O12C26H39 A12B26C39 -1080.85 3.28 -8.5 -1.02 0
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15127 430150 2 N2O4C23H28 A2B4C23D28 -239.07 3.87 -7.98 0.11 0
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15128 430151 1 NO8C27H27 AB8C27D27 -194.5 7.57 -8.01 -1.51 0
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15129 430252 1 PN5O7C10H14 AB5C7D10E14 -289.34 5.33 -8.86 -0.92 0
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15130 430347 1 NO2H13C15 AB2C13D15 -7.38 3.83 -7.65 -0.38 0
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15131 430454 1 ClHgNO2C10H14 ABCD2E10F14 -74.42 4.91 -9.3 -0.61 0
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15132 430489 1 Cl2O2F3N3H24C28 A2B2C3D3E24F28 -131.3 8.97 -8.91 -0.74 0
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15133 430497 1 N3O10C36H39 A3B10C36D39 -321.75 5.72 -8.84 -1.86 0
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15134 430502 2 SN5O7C45H58 AB5C7D45E58 -466.61 7.29 -7.88 -0.88 0
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15135 430509 1 ClN3C16H26 AB3C16D26 0.03 4.75 -8.31 0.17 0
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15136 430535 1 O5C28H46 A5B28C46 -221.78 1.41 -9.13 -2.03 0
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15138 430572 2 NOSC5H7 ABCD5E7 -87.79 2.61 -9.23 -0.57 0