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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311992 126600661 1 NO5C19H25 AB5C19D25 -194.31 4.62 -9.02 -0.08 0
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311993 126600674 1 ClFO2N5C19H23 ABC2D5E19F23 -95.65 7.56 -9.1 -0.85 0
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311994 126600704 2 NO2C8H10 AB2C8D10 -93.83 4.96 -9.44 -1.32 0
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311995 126600711 2 NO2C9H13 AB2C9D13 -175.74 4.75 -8.66 -0.66 0
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311996 126600712 1 ClN2O4C17H25 AB2C4D17E25 -197.24 3.13 -9.12 -1.04 0
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311997 126600713 1 N2O4C17H24 A2B4C17D24 -160.7 1.21 -8.59 -0.55 0
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311998 126600714 1 SF3N4O5H13C15 AB3C4D5E13F15 -258.9 5.56 -9.85 -1.99 0
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311999 126600715 1 O2F3N5C20H22 A2B3C5D20E22 -171.32 4.23 -8.9 -0.83 0
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312000 126600716 1 N2O3C15H20 A2B3C15D20 -91.35 1.45 -8.68 -0.79 0
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312001 126600717 1 ClSN4O6C28H33 ABC4D6E28F33 -207.73 7.58 -8.61 -0.77 0
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312002 126600719 1 NSF3O6C13H14 ABC3D6E13F14 -373.62 2.16 -9.86 -1.83 0
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312003 126600722 1 FO3N4C21H25 AB3C4D21E25 -129.13 1.91 -8.71 -0.66 0
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312004 126600740 1 ClSN5O6C17H26 ABC5D6E17F26 -249.19 6.94 -9.5 -1.0 0
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312005 126600741 1 ClFN9C23H31 ABC9D23E31 38.36 5.09 -8.18 -0.62 0
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312006 126600742 1 FCl2N10C21H29 AB2C10D21E29 27.93 5.65 -8.8 -0.93 0
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312007 126600760 1 N7O10H47C50 A7B10C47D50 -247.8 9.33 -8.49 -1.61 0
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312008 126600767 1 N7O12H53C55 A7B12C53D55 -328.21 5.13 -8.55 -1.48 1
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312009 126600775 1 N8O9C48H53 A8B9C48D53 -223.77 17.45 0.0 0.0 0
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312010 126600801 2 NO4C7H8 AB4C7D8 -226.15 7.76 -9.54 -1.71 0
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312011 126600902 1 NO3C12H13 AB3C12D13 -84.72 0.37 -9.81 -0.96 0
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312012 126600903 1 F3O4N5H20C24 A3B4C5D20E24 -130.83 1.14 -9.18 -1.33 0
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312013 126600937 1 OH4C6F10 AB4C6D10 -557.61 0.94 -12.86 -0.57 0
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312014 126600947 2 NCl2O4H8C13 AB2C4D8E13 -242.02 10.2 -9.59 -1.86 0
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312015 126601009 1 ON2C11H14 AB2C11D14 24.27 4.37 -8.51 0.05 0
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312016 126601251 1 O2C19H34 A2B19C34 -158.22 4.86 -10.35 0.62 0
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312017 126601367 1 N2O4H22C25 A2B4C22D25 -52.74 5.76 -8.95 -0.9 0
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312018 126601893 1 BrN2O4C24H31 AB2C4D24E31 -168.93 3.76 -8.38 -0.07 0
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312019 126601895 1 NF2O5C37H39 AB2C5D37E39 -261.91 7.76 -8.73 -0.26 0
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312020 126601916 1 NF2O5C33H37 AB2C5D33E37 -295.14 6.19 -8.68 -0.31 0
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312021 126601925 1 NF2O5C33H37 AB2C5D33E37 -295.12 6.17 -8.68 -0.31 0
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312022 126601938 1 ClFNO4C27H29 ABCD4E27F29 -192.04 5.32 -8.89 -0.57 0
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312023 126601954 1 ClIN2O4C39H42 ABC2D4E39F42 -130.08 9.33 -8.62 -0.92 0
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312024 126601965 1 BrNO5C22H24 ABC5D22E24 -171.27 6.32 -8.84 -0.96 0
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312025 126601966 1 FNO6C36H38 ABC6D36E38 -244.75 6.59 -8.75 -0.56 0
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312026 126601969 1 BrNO5C32H42 ABC5D32E42 -210.58 3.89 -8.36 -0.52 0
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312027 126601970 1 NF2O5C36H37 AB2C5D36E37 -255.11 4.52 -8.65 -0.45 0
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312028 126601973 1 BrNO5C25H32 ABC5D25E32 -209.61 3.84 -8.51 -0.54 0
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312029 126601975 1 N2O3C32H40 A2B3C32D40 -121.04 2.58 -8.95 -0.12 0
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312030 126601978 1 N2O3C32H40 A2B3C32D40 -121.07 2.55 -8.96 -0.11 0
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312031 126601981 1 FN3O5C46H56 AB3C5D46E56 -222.92 6.85 -8.42 -0.39 0
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312032 126602005 1 SN2O4C23H30 AB2C4D23E30 -138.53 3.45 -8.21 -0.14 0
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312033 126602125 1 O2N3H19C25 A2B3C19D25 68.76 4.03 -8.44 -1.12 0
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312034 126602126 1 O2N3C13H13 A2B3C13D13 39.05 3.63 -9.4 -0.37 0
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312035 126602127 1 SN4O6C24H32 AB4C6D24E32 -244.84 3.7 -9.38 -0.9 0
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312036 126602128 1 OSN3C17H21 ABC3D17E21 -2.2 2.42 -8.36 -0.56 0
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312037 126602130 1 OSN3C17H21 ABC3D17E21 9.41 4.53 -8.65 -0.33 0
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312038 126602131 1 SN2O5C18H28 AB2C5D18E28 -231.91 4.39 -9.34 -0.65 0
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312039 126602132 1 OSN3C17H21 ABC3D17E21 2.62 4.75 -8.7 -0.24 0
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312040 126602135 1 O5C12H14 A5B12C14 -191.09 5.05 -9.74 -0.09 0
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312041 126602137 1 SN5O9C36H61 AB5C9D36E61 -378.62 11.43 -9.34 -0.92 0
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312042 126602139 1 NO2C13H19 AB2C13D19 -83.84 2.66 -9.23 0.3 0
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312043 126602143 1 NO5C19H27 AB5C19D27 -228.62 4.41 -8.91 0.06 0
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312044 126602144 1 ClN3O5C21H26 AB3C5D21E26 -189.73 3.31 -9.3 -0.65 0
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312045 126602148 1 SO5N6C30H40 AB5C6D30E40 -121.33 5.64 -9.23 -0.69 0
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312046 126602149 1 SO6C16H24 AB6C16D24 -260.96 3.32 -9.89 -0.56 0
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312047 126602150 1 BrN2O3C12H17 AB2C3D12E17 -122.35 2.46 -9.38 -0.49 0
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312048 126602151 1 N3O8C37H43 A3B8C37D43 -244.5 8.52 -8.43 -0.94 0
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312049 126602152 2 NO3C9H13 AB3C9D13 -246.49 3.85 -9.19 -0.32 0
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312050 126602157 1 SN4O4C23H32 AB4C4D23E32 -141.36 2.74 -9.59 -0.87 0
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312051 126602159 1 N3O6C22H33 A3B6C22D33 -272.0 4.06 -8.54 0.02 0
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312052 126602162 1 O2N3H17C19 A2B3C17D19 43.51 7.11 -8.6 -0.65 1
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312053 126602165 1 SN3O6C15H24 AB3C6D15E24 -163.23 5.32 0.0 0.0 -1
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312054 126602166 1 SN3O6C15H22 AB3C6D15E22 -88.88 13.34 0.0 0.0 0
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312055 126602167 1 BrNO2C13H18 ABC2D13E18 -92.6 4.06 -9.44 -0.16 0
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312056 126602169 1 O2N3H15C19 A2B3C15D19 48.26 5.67 -8.38 -1.07 0
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312057 126602170 1 BrNO2C13H18 ABC2D13E18 -94.19 3.21 -9.6 -0.37 0
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312058 126602171 2 NO3C7H10 AB3C7D10 -242.95 5.96 -9.6 -0.73 0
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312059 126602173 1 SN7O8C41H55 AB7C8D41E55 -320.47 5.93 -8.43 -0.54 0
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312060 126602174 1 SO10C24H40 AB10C24D40 -425.7 7.07 -9.84 -0.7 0
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312061 126602175 1 NO4C11H23 AB4C11D23 -196.55 3.52 -9.45 0.96 0
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312062 126602176 1 SN5O9C34H43 AB5C9D34E43 -250.62 2.36 -9.4 -1.29 0
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312063 126602177 1 SN7O8C41H55 AB7C8D41E55 -317.18 7.77 -8.71 -0.87 0
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312064 126602178 1 NO7C18H37 AB7C18D37 -334.25 3.12 -8.97 0.61 0
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312065 126602213 1 ClSN5O7C37H54 ABC5D7E37F54 -241.44 10.18 -9.09 -1.39 0
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312066 126602231 1 BrO2F3H8C14 AB2C3D8E14 -192.37 4.38 -10.13 -1.43 0
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312067 126602341 1 O2F3N4H23C27 A2B3C4D23E27 -117.88 5.43 -9.66 -1.11 0
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312068 126602349 2 NF2O2H12C15 AB2C2D12E15 -274.79 2.29 -8.94 -1.19 0
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312069 126602355 1 O2N3F5H16C21 A2B3C5D16E21 -235.44 4.16 -9.07 -1.55 0
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312070 126602361 1 O3F5N5H22C29 A3B5C5D22E29 -235.39 7.57 -9.02 -1.38 0
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312071 126602363 1 BrClNOF2H19C24 ABCDE2F19G24 -96.08 3.74 -9.54 -0.92 0
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312072 126602374 1 BrNOF4H12C14 ABCD4E12F14 -193.33 1.35 -10.01 -1.1 0
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312073 126602387 1 Cl2N3O6C32H49 A2B3C6D32E49 -311.91 5.58 -8.63 -0.47 0
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312074 126602388 2 ON2C6H13 AB2C6D13 -59.67 3.56 -8.87 -0.51 -1
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312075 126602390 1 Br2N8C30H39 A2B8C30D39 268.65 23.4 0.0 0.0 0
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312076 126602397 1 O2N3C21H27 A2B3C21D27 -37.16 2.08 -8.28 -1.15 0
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312077 126602431 1 NSF3O5C6H12 ABC3D5E6F12 -363.3 7.23 -10.95 -0.67 0
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312078 126602508 1 ON4C16H20 AB4C16D20 16.46 4.84 -8.61 -0.43 0
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312079 126602509 1 O3N4H24C25 A3B4C24D25 -36.34 7.19 -8.82 -1.23 0
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312080 126602515 1 ClON2H9C10 ABC2D9E10 1.94 2.93 -9.02 -0.97 0
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312081 126602519 1 FOSN5H20C22 ABCD5E20F22 33.87 4.16 -8.76 -1.34 0
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312082 126602554 1 O7C40H48 A7B40C48 -60.01 5.23 -8.87 -1.6 0
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312083 126602648 1 Cl2O3C19H20 A2B3C19D20 -120.65 2.67 -8.55 -0.53 0
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312084 126602686 1 SN4O5C28H28 AB4C5D28E28 -104.99 7.06 -8.88 -1.05 0
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312085 126602720 1 FSN4O4H27C32 ABC4D4E27F32 -71.09 3.4 -8.78 -0.89 0
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312086 126602737 1 SF3O4N5H26C32 AB3C4D5E26F32 -164.0 7.97 -8.63 -1.2 0
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312087 126602757 1 SO4N5H27C33 AB4C5D27E33 15.11 8.13 -8.87 -1.14 0
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312088 126602772 1 NO2C14H21 AB2C14D21 29.56 4.76 -5.82 -1.53 0
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312089 126602788 1 NH13C14 AB13C14 70.39 2.77 -9.13 -0.68 0
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312090 126602790 1 PN2O9C15H27 AB2C9D15E27 -470.01 7.94 -10.05 -0.62 0
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312091 126602792 1 PN3O8C20H34 AB3C8D20E34 -385.46 5.18 -9.41 -0.73 0