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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394524 135023139 2 O7C12H20 A7B12C20 -550.95 4.22 -9.19 -1.29 0
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394525 135023140 1 BrO13C30H43 AB13C30D43 -543.84 3.51 -9.68 -1.07 0
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394526 135023141 1 N2O13C30H42 A2B13C30D42 -479.86 6.05 -9.5 -0.88 1
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394527 135023142 1 N2O13C30H43 A2B13C30D43 -470.29 6.93 0.0 0.0 0
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394528 135023143 1 BrSO7C26H29 ABC7D26E29 -258.54 3.29 -9.05 -0.95 0
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394529 135023144 1 N2O13C30H42 A2B13C30D42 -473.02 4.45 -9.19 -0.69 1
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394530 135023145 1 N2O13C30H43 A2B13C30D43 -454.21 2.84 0.0 0.0 0
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394532 135023148 1 NH23C25 AB23C25 67.57 1.75 -8.69 -0.44 0
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394533 135023149 1 NH23C25 AB23C25 72.34 2.43 -8.57 -0.45 0
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394534 135023150 1 FNH18C23 ABC18D23 42.13 4.1 -9.2 -0.77 0
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394535 135023151 1 NC23H25 AB23C25 51.26 2.02 -9.26 0.06 0
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394536 135023152 1 N2O6C39H42 A2B6C39D42 -205.61 1.44 -8.7 -0.25 0
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394537 135023153 1 O3C11H14 A3B11C14 -111.72 3.71 -9.83 0.39 0
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394538 135023154 1 O2N6C23H34 A2B6C23D34 -9.04 5.59 -8.71 -0.63 0
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394539 135023155 1 O2N6C23H36 A2B6C23D36 -36.53 6.52 -8.46 0.65 0
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394540 135023156 2 ON3C13H22 AB3C13D22 -36.85 4.49 -8.44 0.65 0
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394541 135023157 1 OC33H38 AB33C38 -6.41 1.01 -8.71 -0.38 0
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394542 135023158 20 H3C5 A3B5 406.88 2.53 -7.84 -1.43 0
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394543 135023159 2 O3H8C13 A3B8C13 -144.61 9.79 -8.94 -1.46 -1
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394544 135023162 1 O8H15C23 A8B15C23 -185.0 10.29 0.0 0.0 0
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394545 135023165 1 O2C25H32 A2B25C32 -65.21 3.37 -9.13 0.66 0
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394546 135023166 1 O2C23H28 A2B23C28 -88.25 4.13 -9.23 0.57 0
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394547 135023167 1 O4C21H26 A4B21C26 -129.12 5.54 -9.64 -0.92 0
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394548 135023168 1 O4C21H36 A4B21C36 -204.98 6.1 -9.22 0.04 0
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394549 135023169 1 PSeC26H29 ABC26D29 53.91 1.19 -8.31 -0.15 0
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394550 135023170 1 PSeC25H27 ABC25D27 55.93 1.24 -8.27 -0.19 8
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394552 135023172 2 ClPtP2C22H36 ABC2D22E36 897.62 27.13 -6.52 -2.61 4
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394555 135023175 2 NO2H5C8 AB2C5D8 19.71 5.95 -10.02 -2.03 0
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394556 135023225 1 OSi2C21H36 AB2C21D36 -104.1 1.44 -8.82 0.11 0
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394557 135023226 1 O4H14C17 A4B14C17 -95.52 5.04 -9.84 -1.16 0
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394558 135023227 2 SiO4C22H36 AB4C22D36 -416.77 3.6 -8.57 0.34 0
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394559 135023228 1 OSiC17H30 ABC17D30 -67.71 1.7 -9.11 0.92 0
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394560 135023230 1 O2H16C19 A2B16C19 -17.79 0.96 -8.99 -0.59 0
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394561 135023231 1 O2H16C19 A2B16C19 48.11 0.89 -9.24 -0.43 0
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394562 135023232 1 SN2O3H20C24 AB2C3D20E24 -9.8 6.73 -8.88 -1.04 0
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394563 135023233 1 SN2O4H28C33 AB2C4D28E33 1.94 8.26 -8.69 -0.74 0
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394564 135023234 2 NSO2H12C15 ABC2D12E15 -42.9 8.49 -8.71 -0.68 0
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394565 135023235 1 BrSN2O4H25C32 ABC2D4E25F32 -43.05 8.96 -9.01 -0.62 1
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394566 135023236 1 O2N5C27H34 A2B5C27D34 -18.43 5.66 0.0 0.0 0
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394567 135023238 1 NH17C23 AB17C23 105.58 1.54 -9.05 -0.48 0
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394568 135023240 1 SiO3C27H30 AB3C27D30 -109.76 4.07 -9.02 -0.07 0
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394569 135023241 1 SiO4C29H36 AB4C29D36 -146.04 3.12 -8.85 -0.07 0
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394570 135023243 1 NSiO3C30H37 ABC3D30E37 -98.94 2.5 -9.03 0.06 0
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394571 135023245 1 NF3H12C18 AB3C12D18 -81.3 5.22 -9.55 -0.88 0
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394572 135023246 1 O3C16H20 A3B16C20 -91.15 2.93 -9.46 0.2 0
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394573 135023247 1 O3C14H22 A3B14C22 -159.43 1.04 -9.78 0.81 0
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394574 135023248 2 O5C12H16 A5B12C16 -432.65 3.34 -9.47 -0.58 0
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394575 135023249 3 O5C10H14 A5B10C14 -667.93 4.49 -9.84 -0.97 0
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394576 135023250 2 O7C10H14 A7B10C14 -614.92 5.15 -10.26 -1.04 0
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394577 135023251 1 NCl3O10C16H20 AB3C10D16E20 -443.3 3.68 -10.68 -0.69 0
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394578 135023252 2 O5C7H10 A5B7C10 -452.46 1.97 -10.49 0.14 0
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394579 135023253 1 O19C28H38 A19B28C38 -854.11 4.37 -10.38 0.22 0
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394580 135023254 2 O9C13H18 A9B13C18 -815.35 5.03 -10.08 0.35 0
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394581 135023255 1 NF3O18C34H40 AB3C18D34E40 -902.93 6.12 -9.56 -1.0 0
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394582 135023256 2 O3C16H22 A3B16C22 -273.35 3.43 -9.18 -0.55 0
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394583 135023257 1 SiO2C20H32 AB2C20D32 -118.71 2.12 -8.74 -0.39 0
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394584 135023258 1 O3C30H34 A3B30C34 -71.94 4.94 -8.78 -0.12 0
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394585 135023259 1 NSC7H9 ABC7D9 33.66 4.22 -9.07 -0.38 0
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394587 135023261 1 N2O6C27H44 A2B6C27D44 -283.82 8.69 -9.67 0.51 0
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394588 135023262 2 ON3C10H15 AB3C10D15 -31.84 7.33 -8.36 -0.23 0
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394589 135023263 1 O2N6C17H26 A2B6C17D26 -20.84 8.37 -8.52 -0.2 0
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394590 135023264 1 O2N6C21H34 A2B6C21D34 -41.43 5.41 -8.84 -0.22 0
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394595 135023269 1 OC15H24 AB15C24 -46.42 1.28 -9.42 1.39 0
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394596 135023270 1 SiO3N4C15H24 AB3C4D15E24 -140.69 5.26 -9.16 -0.4 0
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394597 135023271 2 O3C6H10 A3B6C10 -278.89 2.87 -9.96 -0.03 0
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394599 135023273 1 OC15H22 AB15C22 28.19 2.38 -9.6 0.32 0
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394601 135023275 1 NO2C18H31 AB2C18D31 -121.72 2.46 -9.27 0.92 0
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394602 135023276 1 NO3C18H33 AB3C18D33 -188.64 1.68 -9.26 1.0 0
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394603 135023277 1 INO2C18H32 ABC2D18E32 -130.17 3.05 -9.4 -0.78 0
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394604 135023278 1 CuN2F3C28H39 AB2C3D28E39 -36.72 1.44 0.0 0.0 2
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394605 135023279 1 NiP2F6C16H34 AB2C6D16E34 -287.13 36.2 -6.48 -0.96 0
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394606 135023280 1 CuN2C28H42 AB2C28D42 84.02 1.21 0.0 0.0 0
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394607 135023281 1 NO9C37H49 AB9C37D49 -335.62 4.34 -8.27 -0.92 0
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394608 135023282 1 NO9C33H39 AB9C33D39 -209.78 9.24 -9.59 -1.77 0
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394609 135023283 1 F3O3H13C15 A3B3C13D15 -246.04 7.06 -9.57 -1.03 0
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394610 135023284 1 O2F3C24H29 A2B3C24D29 -249.38 4.23 -8.65 0.26 0
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394611 135023285 1 SeF3H13C16 AB3C13D16 -108.17 2.57 -8.49 -0.69 0
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394612 135023286 1 SiO3C15H28 AB3C15D28 -193.98 1.7 -8.87 0.11 0
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394613 135023287 1 PO2C31H31 AB2C31D31 -12.82 4.68 -8.71 -0.05 0
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394614 135023288 1 OC14H26 AB14C26 -79.66 2.25 -9.53 1.13 0
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394615 135023289 1 NO6C22H27 AB6C22D27 -129.17 9.78 -9.3 -1.17 0
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394616 135023290 1 O2C17H20 A2B17C20 -34.71 2.11 -9.5 0.26 0
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394617 135023291 2 OC11H12 AB11C12 -3.71 1.35 -9.44 -0.69 0
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394618 135023292 1 SiO2C22H34 AB2C22D34 -79.89 1.06 -9.06 -0.69 0
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394619 135023296 1 SiO2C24H38 AB2C24D38 -91.02 1.19 -9.05 -0.63 0
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394620 135023299 1 FO2N7H26C28 AB2C7D26E28 24.27 1.35 -8.2 -0.81 0
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394621 135023300 2 OC7H8 AB7C8 -53.05 4.5 -9.58 -0.79 0
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394622 135023301 2 OC11H11 AB11C11 51.58 2.84 -9.15 0.26 0
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394624 135023303 1 ON3C18H27 AB3C18D27 -15.04 3.12 -8.2 0.46 0
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394625 135023304 1 OC14H14 AB14C14 15.57 1.97 -9.15 -0.08 1
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394626 135023305 1 IO3C6H8 AB3C6D8 -86.98 2.88 0.0 0.0 0
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394628 135023307 1 OH16C18 AB16C18 11.98 1.38 -8.53 -0.58 0
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394629 135023308 1 ClRhC2P2H12 ABC2D2E12 -84.53 3.19 -10.25 -4.11 0
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394630 135023332 1 ClO4N5C17H30 AB4C5D17E30 -171.11 5.19 -9.44 -0.56 1
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394631 135023334 1 O2N7C24H32 A2B7C24D32 -11.15 5.46 0.0 0.0 0
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394632 135023340 1 NO6C24H35 AB6C24D35 -284.93 3.02 -9.36 0.12 0
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394633 135023345 1 SiN3O6C33H61 AB3C6D33E61 -363.48 5.48 -8.87 0.38 0
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394635 135023350 2 BrON2C15H18 ABC2D15E18 -33.21 3.52 -9.57 -0.82 0
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394636 135023351 1 SiO7C37H50 AB7C37D50 -302.06 2.04 -9.0 0.13 0
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394637 135023360 1 N2O5C32H32 A2B5C32D32 -115.88 2.56 -8.34 -0.01 1