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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41803 8147129 1 N4O6H14C17 A4B6C14D17 -45.28 4.93 -9.03 -2.26 -1
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41804 8147130 1 N2O4H21C23 A2B4C21D23 -28.69 4.84 0.0 0.0 0
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41805 8147132 1 SN2O5C21H26 AB2C5D21E26 -173.57 8.55 -9.1 -0.64 0
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41806 8147134 1 ON3C23H29 AB3C23D29 -12.05 6.95 -9.15 -0.55 1
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41807 8147136 1 ON3C23H30 AB3C23D30 6.19 8.67 0.0 0.0 0
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41808 8147137 1 ON3C23H29 AB3C23D29 -8.27 6.51 -8.95 -0.75 0
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41809 8147138 1 SN2O5H18C21 AB2C5D18E21 -118.19 8.02 -8.78 -0.66 0
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41810 8147145 1 N2O7H18C21 A2B7C18D21 -149.94 6.84 -9.6 -2.03 0
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41811 8147147 1 N3O3C25H33 A3B3C25D33 -84.64 8.25 -8.41 -0.46 1
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41812 8147149 1 N3O3C25H34 A3B3C25D34 -66.85 8.0 0.0 0.0 0
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41813 8147151 1 N3O3F4C17H17 A3B3C4D17E17 -279.57 5.53 -9.62 -1.06 1
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41814 8147152 1 ON3C24H32 AB3C24D32 -5.04 10.95 0.0 0.0 0
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41815 8147153 1 ON3C24H31 AB3C24D31 -18.29 7.73 -9.06 -0.47 0
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41816 8147154 1 N3O3F4C17H17 A3B3C4D17E17 -279.45 5.67 -9.6 -1.03 1
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41817 8147155 1 ON3C24H32 AB3C24D32 -0.53 9.2 0.0 0.0 1
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41818 8147158 1 ON3C24H32 AB3C24D32 -0.82 5.97 0.0 0.0 0
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41819 8147161 1 ON3C24H31 AB3C24D31 -17.8 6.52 -9.14 -0.55 1
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41820 8147166 1 OSN3C24H26 ABC3D24E26 54.31 8.79 0.0 0.0 0
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41821 8147170 1 BrFNOSH13C15 ABCDEF13G15 -53.83 1.98 -8.84 -0.84 0
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41822 8147176 1 OSN3C24H25 ABC3D24E25 37.86 7.79 -9.15 -0.54 1
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41823 8147180 1 NO7C19H28 AB7C19D28 -256.24 3.77 0.0 0.0 0
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41824 8147186 1 N4O5C18H24 A4B5C18D24 -130.52 7.88 -9.85 -1.48 0
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41825 8147192 1 OSN3C25H27 ABC3D25E27 36.49 8.03 -9.18 -0.64 0
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41826 8147195 1 S2N3O3H19C20 A2B3C3D19E20 -54.23 1.94 -9.17 -1.3 0
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41827 8147197 2 ON2C11H13 AB2C11D13 -16.87 5.01 -8.67 -0.55 0
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41828 8147198 1 S2N3O3H19C20 A2B3C3D19E20 -49.76 3.98 -9.36 -1.45 0
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41829 8147200 1 SO2N4C23H28 AB2C4D23E28 -29.32 3.52 -8.49 -0.82 0
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41830 8147203 1 O2N4C23H28 A2B4C23D28 -21.25 6.06 -8.58 -0.54 0
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41831 8147207 1 O3N4C24H26 A3B4C24D26 -23.99 10.09 -8.67 -0.92 0
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41832 8147208 1 F2O8H16C19 A2B8C16D19 -376.56 1.53 -9.79 -1.35 1
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41833 8147210 1 OSN3C23H24 ABC3D23E24 59.33 8.97 0.0 0.0 0
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41834 8147212 1 NSO2H13C18 ABC2D13E18 9.62 2.44 -8.73 -1.13 1
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41835 8147213 1 OSN3C23H24 ABC3D23E24 59.46 8.62 0.0 0.0 0
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41836 8147219 1 OSN3C24H25 ABC3D24E25 36.85 7.69 -9.11 -0.56 1
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41837 8147220 1 OSN3C24H26 ABC3D24E26 52.92 9.28 0.0 0.0 0
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41838 8147221 1 OSN3C24H25 ABC3D24E25 34.27 6.56 -9.13 -0.54 0
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41839 8147228 1 OSN3C24H25 ABC3D24E25 35.62 6.27 -9.13 -0.54 0
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41840 8147229 1 NCl2O2H11C17 AB2C2D11E17 7.16 4.21 -9.51 -1.38 1
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41841 8147230 1 OSN3C24H32 ABC3D24E32 -5.01 8.23 0.0 0.0 1
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41842 8147244 1 ON3C24H32 AB3C24D32 -0.19 7.97 0.0 0.0 0
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41843 8147262 1 BrFO3H12C16 ABC3D12E16 -93.79 2.32 -8.9 -0.96 0
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41844 8147269 1 NO3C21H21 AB3C21D21 -31.15 5.25 -8.9 -1.18 0
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41845 8147275 1 SN4O5H14C17 AB4C5D14E17 -19.55 4.27 -8.89 -1.99 0
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41846 8147277 1 NOC22H25 ABC22D25 -40.92 3.64 -8.99 -0.65 0
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41847 8147283 1 SN3O4H19C21 AB3C4D19E21 -109.95 5.07 -9.1 -1.11 0
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41848 8147305 1 O3H16C22 A3B16C22 -28.52 2.05 -9.27 -0.83 0
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41849 8147310 1 NO5H21C25 AB5C21D25 -108.5 4.61 -8.49 -1.26 1
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41850 8147321 1 ON3S3C20H20 AB3C3D20E20 53.31 6.79 0.0 0.0 0
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41851 8147322 1 ON3S3H19C20 AB3C3D19E20 41.58 2.39 -8.48 -0.99 1
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41852 8147330 1 O2S2N3H18C19 A2B2C3D18E19 32.8 7.58 0.0 0.0 0
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41853 8147332 1 ClN2O2H9C14 AB2C2D9E14 82.06 7.38 -9.03 -1.61 1
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41854 8147337 1 SO2N3H18C19 AB2C3D18E19 38.5 9.34 0.0 0.0 1
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41855 8147339 1 OSN3C19H20 ABC3D19E20 64.34 7.62 0.0 0.0 1
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41856 8147341 1 NO4C22H32 AB4C22D32 -105.02 6.6 0.0 0.0 0
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41857 8147344 1 OSN3C19H19 ABC3D19E19 47.49 6.29 -9.18 -0.59 1
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41859 8147350 1 NO4C20H33 AB4C20D33 -174.99 6.17 -8.7 -0.5 0
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41860 8147360 1 NO4C20H33 AB4C20D33 -178.12 0.75 -8.84 -0.62 2
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41861 8147361 1 N2O4C17H28 A2B4C17D28 -126.49 4.21 -8.77 -0.55 1
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41862 8147369 1 OS2N3H22C23 AB2C3D22E23 80.63 7.52 0.0 0.0 1
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41863 8147375 1 NO4C19H32 AB4C19D32 -160.43 3.02 0.0 0.0 0
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41864 8147378 1 S2N3O3C20H21 A2B3C3D20E21 -56.38 5.7 -9.07 -1.35 1
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41865 8147412 1 O2N4C20H23 A2B4C20D23 -2.46 6.67 0.0 0.0 0
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41866 8147413 2 ON2C10H11 AB2C10D11 -18.05 5.12 -9.25 -0.65 0
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41867 8147453 1 SO2N4C23H26 AB2C4D23E26 -16.79 4.6 -8.56 -0.9 -1
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41868 8147465 1 ClNO4H13C22 ABC4D13E22 -9.38 13.96 0.0 0.0 0
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41869 8147473 1 O3N4C24H24 A3B4C24D24 -14.3 10.46 -8.67 -0.98 0
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41870 8147502 1 SO2F3N3C18H20 AB2C3D3E18F20 -200.86 2.91 -9.43 -0.79 0
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41871 8147541 1 OSN6C19H24 ABC6D19E24 36.14 9.16 -8.61 -0.51 0
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41872 8147545 1 ClOS2N3H16C20 ABC2D3E16F20 54.51 5.76 -9.29 -0.88 1
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41873 8147550 1 O3N5C20H26 A3B5C20D26 -81.6 11.63 0.0 0.0 0
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41874 8147555 1 ON6C14H22 AB6C14D22 2.43 7.52 -8.94 -0.66 1
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41875 8147592 1 ON3C24H32 AB3C24D32 -5.62 8.02 0.0 0.0 0
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41876 8147596 1 SN2O5C19H24 AB2C5D19E24 -224.92 5.35 -9.01 -0.75 1
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41877 8147599 1 ON3C24H32 AB3C24D32 2.38 14.21 0.0 0.0 0
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41878 8147600 1 ON3C24H31 AB3C24D31 -16.63 6.47 -9.14 -0.55 1