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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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384004 134976151 1 SiC18H26 AB18C26 -1.56 1.17 -8.83 0.44 0
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384005 134976152 1 NC21H23 AB21C23 66.96 0.61 -8.21 0.18 0
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384006 134976154 1 N2O5H8C14 A2B5C8D14 49.33 2.02 -10.13 -2.23 0
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384007 134976155 1 N2O5H10C14 A2B5C10D14 7.81 2.04 -10.13 -1.96 0
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384008 134976162 1 Si2O3C8H10 A2B3C8D10 44.83 2.33 -6.85 -2.1 0
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384010 134976165 1 LiPC24H32 ABC24D32 3.22 5.27 -6.62 0.41 0
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384011 134976167 1 LiC11H19 AB11C19 -10.58 6.53 -6.68 2.48 0
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384012 134976168 1 N2O2H20C29 A2B2C20D29 71.75 3.94 -8.53 -1.13 0
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384013 134976170 1 SN2F3O3H13C22 AB2C3D3E13F22 -130.83 8.55 -8.88 -1.55 0
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384014 134976171 1 NO3C22H30 AB3C22D30 -28.36 4.11 0.0 0.0 0
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384016 134976177 1 LiPC11H22 ABC11D22 -23.03 4.41 -6.75 3.24 0
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384017 134976178 1 PC11H23 AB11C23 -52.04 1.7 -8.65 3.09 0
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384018 134976180 1 ON2H20C28 AB2C20D28 121.03 5.66 -8.4 -1.16 0
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384019 134976181 1 SN2O5H24C30 AB2C5D24E30 -47.7 9.78 -8.2 -0.82 0
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384020 134976183 1 NOC17H30 ABC17D30 24.11 3.14 0.0 0.0 0
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384021 134976184 1 NO3C18H30 AB3C18D30 -98.83 5.47 0.0 0.0 0
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384022 134976186 1 LiC15H23 AB15C23 -19.32 6.38 -6.86 3.64 0
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384023 134976187 1 OPH25C28 ABC25D28 55.03 1.66 -8.4 -0.48 0
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384024 134976188 1 SN2O4H20C28 AB2C4D20E28 0.98 6.76 -8.28 -0.92 0
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384025 134976190 1 NOH21C22 ABC21D22 40.19 3.12 -9.21 -0.36 0
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384026 134976192 1 LiPC14H26 ABC14D26 -26.5 5.89 -6.82 3.38 0
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384027 134976193 1 PBr2C17H21 AB2C17D21 -8.0 5.1 -8.89 -0.73 0
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384028 134976194 1 PBr2C18H23 AB2C18D23 -14.31 5.21 -8.91 -0.72 0
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384029 134976198 1 ClPO2C17H32 ABC2D17E32 -173.88 6.23 -8.74 1.25 0
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384030 134976200 1 P2F6C23H24 A2B6C23D24 -425.4 19.16 -9.67 -1.22 1
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384031 134976201 1 PC23H24 AB23C24 59.16 8.17 0.0 0.0 0
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384032 134976202 1 P2F6C23H24 A2B6C23D24 -370.29 1.83 -8.55 0.19 1
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384033 134976203 1 PC23H24 AB23C24 56.15 8.29 0.0 0.0 0
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384034 134976204 2 PF3C13H15 AB3C13D15 -457.9 13.68 -9.48 -0.51 1
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384035 134976205 1 PC26H30 AB26C30 38.89 8.42 0.0 0.0 0
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384036 134976216 1 BrOPH26C27 ABCD26E27 34.97 4.76 -8.68 -0.31 0
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384037 134976218 1 PO9H35C39 AB9C35D39 -280.74 10.57 -9.34 -0.44 0
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384038 134976221 2 PS2C15H15 AB2C15D15 140.34 12.08 -7.48 -1.18 1
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384039 134976222 1 P2S4C30H31 A2B4C30D31 132.99 3.54 0.0 0.0 0
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384040 134976225 1 IOPC20H28 ABCD20E28 -61.68 8.24 -8.13 -0.99 0
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384041 134976229 1 IOPC19H24 ABCD19E24 -37.17 9.15 -7.56 -0.43 0
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384042 134976230 1 IOPC19H36 ABCD19E36 -135.47 15.04 -6.89 1.19 0
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384043 134976231 1 BrOPC24H28 ABCD24E28 -10.1 4.5 -8.62 -0.3 0
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384044 134976232 1 BrPO5C25H28 ABC5D25E28 -165.78 4.8 -8.59 -0.04 0
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384045 134976233 1 IPSC21H30 ABCD21E30 -17.13 6.53 -8.12 0.3 0
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384046 134976234 1 IPSC22H32 ABCD22E32 -21.95 6.43 -8.13 0.26 0
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384047 134976236 1 NSSiO6C20H29 ABCD6E20F29 -244.58 3.68 -8.57 -0.52 0
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384048 134976239 1 NSF3O5H28C29 ABC3D5E28F29 -283.06 6.46 -8.65 -0.81 0
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384049 134976241 1 PO3C30H63 AB3C30D63 -291.17 3.04 -8.77 2.07 0
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384050 134976246 2 PC26H54 AB26C54 -275.19 0.28 -8.54 3.09 0
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384051 134976249 4 C5H8 A5B8 -1.22 0.71 -8.96 0.76 0
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384052 134976250 1 ClFH2C6 ABC2D6 84.36 2.47 -9.98 -1.17 0
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384053 134976252 1 NO3C19H23 AB3C19D23 -51.47 1.27 -8.49 0.19 0
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384054 134976258 1 PSSiN5O14C53H66 ABCD5E14F53G66 -591.58 9.85 -8.94 -0.7 0
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384055 134976259 1 PSSiN7O12C53H66 ABCD7E12F53G66 -472.2 10.91 -8.79 -0.66 0
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384056 134976261 1 PSSiN4O13C50H63 ABCD4E13F50G63 -599.6 9.08 -8.68 -0.53 0
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384057 134976266 3 C3H4 A3B4 134.22 2.16 -8.48 0.08 0
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384058 134976271 1 NPO5C17H38 ABC5D17E38 -318.97 11.47 -9.45 -0.11 1
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384059 134976272 1 NPO5C17H39 ABC5D17E39 -309.39 5.28 0.0 0.0 -2
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384060 134976276 1 PN5O7C13H16 AB5C7D13E16 -184.86 4.06 -9.24 -1.72 0
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384061 134976279 1 OPN2S2C17H19 ABC2D2E17F19 -46.78 5.12 -9.03 -0.28 -1
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384062 134976281 1 PN2Cl3O10C11H11 AB2C3D10E11F11 -464.31 3.85 0.0 0.0 0
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384063 134976283 1 O2C19H26 A2B19C26 -69.11 3.18 -8.53 0.31 0
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384064 134976285 1 NSiO3C17H23 ABC3D17E23 -56.07 6.01 -9.21 -1.15 0
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384065 134976286 1 O5C20H32 A5B20C32 -227.21 6.11 -9.79 -0.42 0
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384066 134976289 1 OH10C12 AB10C12 61.75 6.27 -9.21 -1.29 0
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384067 134976290 1 OC25H34 AB25C34 -40.96 2.05 -8.44 0.47 0
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384068 134976291 1 CoC15H17 AB15C17 123.29 8.79 -10.06 -5.08 0
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384069 134976292 4 C7H9 A7B9 174.41 2.68 -7.5 -1.49 0
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384070 134976293 4 H5C8 A5B8 294.63 0.04 -8.06 -1.76 0
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384071 134976295 1 O4H28C33 A4B28C33 39.12 2.07 -8.16 -0.51 0
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384072 134976296 1 SiO2C19H32 AB2C19D32 -121.24 1.59 -8.74 -0.22 0
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384073 134976297 1 NO2C24H37 AB2C24D37 -68.27 4.57 -9.76 -0.11 0
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384074 134976298 1 OC23H36 AB23C36 -44.89 1.83 -9.31 0.38 0
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384075 134976299 1 OC27H44 AB27C44 -64.16 1.7 -9.48 0.26 0
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384076 134976300 6 C3H4 A3B4 29.7 1.1 -9.16 0.45 0
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384077 134976301 6 C3H4 A3B4 50.13 0.86 -9.27 0.46 0
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384078 134976302 2 C7H13 A7B13 -25.78 0.09 -9.86 1.98 0
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384080 134976304 4 H7C8 A7B8 220.87 0.44 -7.44 -1.98 0
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384081 134976305 2 NSO2C13H14 ABC2D13E14 -50.13 7.76 -9.12 -0.56 0
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384082 134976306 1 OC25H48 AB25C48 -121.43 2.01 -10.12 1.82 0
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384083 134976307 1 O2C19H30 A2B19C30 -58.26 0.87 -9.22 1.34 0
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384084 134976308 2 C8H11 A8B11 231.95 3.95 -7.1 -0.79 0
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384086 134976311 1 SSi2O3C36H54 AB2C3D36E54 -17.98 20.52 -6.84 -2.39 0
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384087 134976312 1 O2H24C27 A2B24C27 12.86 1.56 -8.62 -0.08 0
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384088 134976313 2 OH13C14 AB13C14 3.13 1.84 -8.59 0.13 0
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384089 134976314 1 ClOC17H19 ABC17D19 -24.53 4.33 -8.61 -0.38 0
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384090 134976316 1 N2S2O3H16C25 A2B2C3D16E25 50.91 9.26 -8.44 -1.05 0
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384091 134976317 1 SN2O3H24C30 AB2C3D24E30 24.88 8.38 -8.31 -0.96 0
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384092 134976319 1 NOC19H34 ABC19D34 -12.36 4.21 0.0 0.0 0
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384093 134976321 3 FOC8H13 ABC8D13 -319.26 2.73 -9.77 0.5 0
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384094 134976322 1 NO3C24H39 AB3C24D39 -125.39 3.18 -9.77 0.46 0
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384095 134976325 2 IOH4C8 ABC4D8 67.66 5.15 -9.17 -1.27 0
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384096 134976327 2 O5C7H7 A5B7C7 -348.98 5.11 -10.22 -1.38 0
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384097 134976328 1 LiH37C39 AB37C39 121.27 20.08 -5.31 -1.04 0
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384098 134976329 1 H38C39 A38B39 95.91 0.77 -9.08 0.32 0
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384099 134976333 1 LiPC15H30 ABC15D30 52.53 18.97 -3.38 -0.82 0
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384100 134976335 1 O3C16H18 A3B16C18 -62.67 4.5 -9.87 -1.01 0
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384101 134976336 1 LiC23H27 AB23C27 93.38 16.65 -4.64 0.98 0
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384102 134976337 1 C23H28 A23B28 12.98 1.06 -9.13 0.52 0
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384103 134976338 1 LiC16H21 AB16C21 15.48 5.75 -6.68 0.79 0
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384104 134976339 1 LiNSiC11H24 ABCD11E24 -56.08 8.0 -6.88 2.27 0
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384105 134976340 2 LiC11H19 AB11C19 -25.1 4.21 -6.49 3.82 0
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384106 134976341 2 C11H20 A11B20 -76.24 0.45 -10.08 3.6 0
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384107 134976344 1 SN2F3O3H17C28 AB2C3D3E17F28 -115.84 6.5 -8.57 -1.41 0