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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407047 135079211 1 NSO2C16H17 ABC2D16E17 -23.53 6.02 -9.09 -0.46 4
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407052 135079216 1 LiSiC15H17 ABC15D17 105.32 27.25 -4.87 -2.12 -1
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407053 135079217 1 SiC15H17 AB15C17 47.71 1.32 0.0 0.0 0
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407054 135079218 1 NSO2C23H27 ABC2D23E27 3.27 5.32 -9.44 -0.44 0
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407055 135079219 1 NOC19H23 ABC19D23 10.7 2.76 -8.93 0.26 0
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407056 135079220 1 NSO2C17H23 ABC2D17E23 -25.0 5.85 -9.36 -0.42 0
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407057 135079221 1 N3O3H11C12 A3B3C11D12 -10.27 4.41 -9.4 -1.33 0
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407058 135079222 1 BrNO2H6C8 ABC2D6E8 9.76 4.88 -8.97 -0.58 0
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407059 135079223 1 FSO2N3H10C11 ABC2D3E10F11 -58.96 1.93 -9.08 -1.16 0
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407060 135079224 1 FSN3O3H10C12 ABC3D3E10F12 -98.06 6.43 -9.2 -1.33 0
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407061 135079225 1 FS2O3N4H9C10 AB2C3D4E9F10 -87.91 7.13 -9.31 -1.4 0
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407062 135079226 1 NSSiO2C17H25 ABCD2E17F25 -58.93 5.86 -9.46 -0.34 0
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407063 135079227 2 NSO3C6H10 ABC3D6E10 -271.4 3.56 -9.34 -1.33 0
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407064 135079228 1 NC18H31 AB18C31 1.58 1.26 -8.48 1.04 0
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407065 135079229 1 NSO3C21H23 ABC3D21E23 -32.4 8.2 -8.55 -0.37 0
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407066 135079230 1 FNOSC11H14 ABCDE11F14 -50.64 2.74 -8.43 -0.65 0
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407067 135079231 2 NC8H10 AB8C10 51.26 0.69 -8.34 0.35 0
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407068 135079232 1 SN2O4C28H28 AB2C4D28E28 -87.98 5.21 -8.54 -0.53 0
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407069 135079233 1 NSeC9H10 ABC9D10 51.2 4.34 0.0 0.0 0
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407070 135079256 2 O4C11H14 A4B11C14 -252.1 3.34 -10.08 0.39 0
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407071 135079274 1 NO3C19H21 AB3C19D21 -69.84 1.42 -8.64 -0.38 0
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407072 135079275 1 NO3C21H21 AB3C21D21 -20.21 1.52 -8.61 -0.72 0
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407073 135079276 1 NOPC26H30 ABCD26E30 -35.49 7.23 -9.2 0.04 0
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407074 135079280 1 NO3C22H25 AB3C22D25 -70.43 1.66 -9.03 -0.39 0
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407075 135079281 2 NSO2H15C18 ABC2D15E18 -25.53 8.68 -8.46 -0.72 0
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407076 135079282 1 ON2C16H16 AB2C16D16 3.99 4.66 -8.42 0.04 0
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407077 135079283 1 NO3C15H25 AB3C15D25 -168.92 9.35 -10.32 -0.2 0
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407078 135079284 1 IC8H13 AB8C13 1.28 1.26 -9.77 -0.82 0
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407079 135079285 1 SiO2C29H40 AB2C29D40 -100.22 3.53 -8.9 0.19 0
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407080 135079286 1 SSiO6C30H44 ABC6D30E44 -269.52 3.32 -8.73 -1.16 0
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407081 135079287 1 ZnC9H14 AB9C14 31.11 0.55 -9.11 -1.62 0
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407082 135079288 1 PO4C25H43 AB4C25D43 -275.36 0.87 -9.37 0.04 0
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407083 135079289 1 NO2C17H21 AB2C17D21 -30.1 4.56 -8.08 0.35 0
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407084 135079291 1 BSF4C20H29 ABC4D20E29 -367.8 13.92 -9.56 -0.86 0
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407085 135079293 1 S2F3O3C15H25 A2B3C3D15E25 -305.13 12.92 -9.47 -0.32 0
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407086 135079296 1 LiP2S2H21C25 AB2C2D21E25 17.44 17.04 -7.51 -0.86 -8
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407089 135079312 1 NO3C20H21 AB3C20D21 -12.34 3.01 -9.16 -0.35 0
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407090 135079313 1 ClO2H15C17 AB2C15D17 -24.76 4.34 -9.04 -0.46 0
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407091 135079316 1 BNSF4C13H16 ABCD4E13F16 -267.62 26.75 -10.52 -3.17 0
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407092 135079317 1 NSC13H15 ABC13D15 64.06 1.83 -8.76 -0.32 0
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407093 135079318 1 O3C22H28 A3B22C28 -118.48 3.3 -9.2 -0.84 0
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407094 135079321 1 NOC22H25 ABC22D25 42.54 3.63 -8.79 -0.2 0
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407095 135079324 1 LiOSiC7H15 ABCD7E15 -94.52 5.07 -8.46 0.51 0
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407096 135079332 1 NSF3O3C10H12 ABC3D3E10F12 -251.46 4.29 -8.98 -0.88 0
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407097 135079333 1 ClFNO2H13C15 ABCD2E13F15 -100.37 1.53 -8.65 -0.82 0
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407098 135079335 1 LiO3C15H21 AB3C15D21 -75.11 7.07 -8.37 0.3 0
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407099 135079336 1 SiO3C21H34 AB3C21D34 -123.12 1.97 -9.43 0.26 0
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407100 135079337 1 LiOS2C14H17 ABC2D14E17 -34.72 8.16 -7.85 0.02 0
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407101 135079338 1 NSO2C17H25 ABC2D17E25 -73.81 5.56 -9.6 -0.37 0
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407102 135079339 1 ClNO3C18H20 ABC3D18E20 -112.15 4.82 -8.27 -0.49 0
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407103 135079340 1 NSO2C18H29 ABC2D18E29 -88.38 5.63 -9.69 -0.44 0
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407104 135079341 1 OSiN2C7H16 ABC2D7E16 -69.91 0.82 -9.11 0.24 0
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407105 135079342 1 SiO3C33H42 AB3C33D42 -96.54 3.71 -8.75 0.26 0
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407106 135079344 1 NH17C21 AB17C21 104.15 1.32 -8.41 -0.12 0
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407107 135079345 1 NOH25C27 ABC25D27 70.27 4.96 -8.89 -0.88 0
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407108 135079346 1 NO2C27H29 AB2C27D29 3.58 6.05 -8.77 -0.37 0
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407109 135079347 1 SO2H12C15 AB2C12D15 -10.14 3.69 -8.94 -0.6 0
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407110 135079348 2 OC8H9 AB8C9 -38.27 3.65 -9.24 -0.41 0
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407111 135079349 1 BrFNO4C22H23 ABCD4E22F23 -176.78 3.26 -9.42 -1.18 0
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407112 135079350 1 FNO4C22H24 ABC4D22E24 -179.79 3.35 -9.14 -0.2 0
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407113 135079351 2 NOC6H7 ABC6D7 -13.19 3.7 -9.16 -0.33 1
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407114 135079352 1 N2O2C12H15 A2B2C12D15 -14.88 3.35 0.0 0.0 0
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407115 135079353 1 NOC19H21 ABC19D21 21.44 1.85 -9.05 -0.02 0
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407116 135079354 1 NOH23C24 ABC23D24 55.08 1.13 -9.1 -0.3 0
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407117 135079355 1 N2O3C14H18 A2B3C14D18 -63.45 1.0 -8.59 -0.66 1
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407118 135079356 1 N2O3C14H19 A2B3C14D19 -53.25 4.47 0.0 0.0 0
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407119 135079357 1 O3C16H18 A3B16C18 -40.23 2.86 -9.96 -0.83 0
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407120 135079358 1 BrSO3F4H11C16 ABC3D4E11F16 -264.91 6.51 -9.78 -1.07 0
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407121 135079359 1 N2O3H12C13 A2B3C12D13 19.61 5.84 -10.13 -1.77 0
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407122 135079360 1 N2O3C14H16 A2B3C14D16 -2.64 6.39 -10.28 -1.7 0
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407123 135079361 1 O3C13H18 A3B13C18 -85.7 1.99 -9.56 0.16 0
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407124 135079362 1 NO2C11H21 AB2C11D21 -116.58 5.19 -9.33 0.43 0
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407126 135079364 1 NO3C17H17 AB3C17D17 -60.2 5.6 -8.66 -0.59 0
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407127 135079365 1 Cl4O5H18C20 A4B5C18D20 -177.68 2.51 -9.6 -0.6 0
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407128 135079366 1 O4H24C27 A4B24C27 -80.55 3.27 -8.39 -0.56 0
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407129 135079367 1 ON2F3H17C18 AB2C3D17E18 -135.56 5.1 -9.37 -1.12 0
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407130 135079368 1 SiO2C14H22 AB2C14D22 -96.4 3.92 -8.65 0.14 0
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407131 135079369 1 NO3C16H21 AB3C16D21 -96.13 3.59 -9.43 -0.23 0
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407132 135079370 1 NO3C17H23 AB3C17D23 -102.51 2.57 -9.51 -0.36 0
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407133 135079371 1 NO3C22H25 AB3C22D25 -74.26 2.11 -9.37 -0.4 0
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407134 135079372 1 NSO4C16H19 ABC4D16E19 -139.24 6.23 -8.96 -0.73 0
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407135 135079373 1 NaO2H11C15 AB2C11D15 -54.88 11.14 -8.21 0.04 0
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407136 135079374 1 OSeC14H20 ABC14D20 -14.36 0.69 -8.48 -0.18 0
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407137 135079375 1 ClNOSiC14H18 ABCDE14F18 -95.62 3.31 -8.92 0.02 0
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407138 135079379 1 C11H20 A11B20 -14.06 1.46 -8.82 0.59 0
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407139 135079380 1 NO4C11H17 AB4C11D17 -105.47 5.02 -10.97 -1.39 0
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407140 135079388 1 BrNO2H24C25 ABC2D24E25 -7.71 6.07 -8.8 -0.45 0
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407141 135079404 1 SN2O4H15C16 AB2C4D15E16 0.83 6.17 0.0 0.0 0
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407142 135079406 1 O5C20H26 A5B20C26 -182.94 3.04 -8.45 0.2 0
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407143 135079424 1 O2C23H28 A2B23C28 -20.85 3.03 -9.21 0.36 0
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407144 135079425 1 SiO2C22H36 AB2C22D36 -105.83 1.39 -9.01 0.38 0
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407145 135079426 1 ClN3O5C18H18 AB3C5D18E18 -99.1 6.55 -9.1 -1.27 0
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407146 135079427 1 BrNO3C15H20 ABC3D15E20 -120.93 4.55 -8.94 -0.33 0
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407147 135079428 1 BrNO2C20H22 ABC2D20E22 -57.89 3.15 -9.29 -0.43 0
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407148 135079429 2 NOC11H12 ABC11D12 -9.77 3.02 -9.06 -0.36 0
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407149 135079430 1 N2O2C23H26 A2B2C23D26 -11.38 3.04 -9.02 -0.24 0
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407150 135079431 1 NOC15H17 ABC15D17 25.2 4.82 -9.32 0.23 0
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407151 135079432 1 ClSi2O7C35H55 AB2C7D35E55 -381.24 3.1 -8.7 -1.1 0
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407152 135079433 1 ClSi2O7C38H61 AB2C7D38E61 -338.68 2.85 -8.15 -0.41 0
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407153 135079434 1 O2C17H20 A2B17C20 -43.2 3.7 -9.26 -0.33 0