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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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182309 76873979 1 O2N4C14H23 A2B4C14D23 -58.43 3.91 0.0 0.0 1
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182310 76873980 1 O2N4C14H23 A2B4C14D23 -59.64 3.75 0.0 0.0 1
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182311 76873981 1 O2N4C13H21 A2B4C13D21 -53.94 3.81 0.0 0.0 0
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182312 76873982 1 O3N4C14H20 A3B4C14D20 -97.91 6.75 -8.56 -0.06 0
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182313 76874256 1 SN2O5C10H10 AB2C5D10E10 -154.95 4.07 -9.64 -1.7 0
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182314 76874494 1 N3O3C10H17 A3B3C10D17 -157.49 7.05 -9.91 0.08 0
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182315 76874495 3 NOC3H5 ABC3D5 -156.88 2.96 -10.21 -0.21 0
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182316 76874496 1 N3O3C8H13 A3B3C8D13 -150.99 3.72 -10.34 -0.09 0
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182317 76874497 2 NOC8H10 ABC8D10 -81.42 7.61 -8.9 0.17 0
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182318 76874529 1 FO2N3C15H20 AB2C3D15E20 -120.94 4.85 -9.56 -0.26 0
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182319 76874530 1 O2N3C14H27 A2B3C14D27 -122.19 5.05 -9.24 0.39 0
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182320 76874621 1 ClNOSH10C13 ABCDE10F13 22.5 3.57 -8.83 -1.39 0
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182321 76874757 1 SO2N4C13H16 AB2C4D13E16 -11.5 3.76 -9.48 -1.84 0
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182322 76874758 1 ON3C7H17 AB3C7D17 -25.55 2.37 -8.94 0.82 0
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182323 76874805 1 OSN2C9H12 ABC2D9E12 -10.09 4.01 -9.23 -0.91 0
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182324 76875238 1 BrOSN3H10C12 ABCD3E10F12 40.06 1.97 -8.98 -1.21 0
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182325 76875447 1 FON3C15H20 ABC3D15E20 -61.69 1.77 -8.8 -0.11 0
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182326 76875448 1 NOC12H17 ABC12D17 -8.83 3.3 -8.95 -0.08 0
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182327 76875519 1 N3O3C14H17 A3B3C14D17 -123.5 1.48 -8.71 -0.37 0
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182328 76875625 2 NO2C7H8 AB2C7D8 -150.87 5.8 -9.83 -0.61 0
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182329 76875626 1 N2O3C8H12 A2B3C8D12 -131.82 2.02 -9.78 0.15 0
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182330 76875627 2 NO2C7H8 AB2C7D8 -135.89 7.27 -9.04 -0.32 0
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182331 76875967 1 N3C17H21 A3B17C21 62.47 3.13 -8.36 0.44 0
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182332 76876118 1 SN3O4C13H17 AB3C4D13E17 -154.61 4.94 -9.22 -0.25 0
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182333 76876119 1 BrNO2H16C17 ABC2D16E17 -21.17 4.0 -8.91 -0.6 0
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182334 76876130 1 ClN2O2C15H15 AB2C2D15E15 -35.36 2.86 -9.89 -1.24 0
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182335 76876131 1 N2O2C15H16 A2B2C15D16 -20.83 9.04 -9.8 -0.86 0
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182336 76876132 1 BrN2O2H15C16 AB2C2D15E16 12.1 8.06 -9.92 -0.95 0
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182337 76876133 2 NOC8H9 ABC8D9 -41.42 4.08 -9.28 -1.15 0
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182338 76876589 1 ClO2C12H13 AB2C12D13 -60.5 4.3 -9.25 -0.34 0
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182339 76876590 1 BrO2N3H10C14 AB2C3D10E14 23.67 4.78 -9.08 -1.92 0
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182340 76876728 1 OSN3C13H17 ABC3D13E17 24.64 4.32 -8.68 -1.81 1
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182341 76876828 1 O3N4C14H17 A3B4C14D17 -34.09 1.9 0.0 0.0 0
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182342 76876829 1 ClSO2N4C11H15 ABC2D4E11F15 -57.89 4.98 -9.33 -0.46 0
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182343 76876830 1 ClSO2N4C12H17 ABC2D4E12F17 -61.2 5.4 -9.31 -0.44 0
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182344 76877018 1 O2N3C15H23 A2B3C15D23 -54.85 5.64 -8.63 -0.03 0
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182345 76877480 1 O2N3H9C13 A2B3C9D13 60.95 4.76 -9.34 -1.65 0
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182346 76877850 1 F2N3O3H17C20 A2B3C3D17E20 -77.61 3.0 -8.99 -0.75 0
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182347 76878121 1 SN2O2C20H20 AB2C2D20E20 5.9 1.64 -8.28 -1.27 0
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182348 76878122 1 SN2O3C24H24 AB2C3D24E24 -37.7 3.27 -8.05 -1.41 1
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182349 76878870 1 Cl2O3N4H19C24 A2B3C4D19E24 -9.64 9.9 0.0 0.0 0
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182350 76878998 2 NO2C13H16 AB2C13D16 -121.62 4.54 -8.49 -0.49 0
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182351 76879019 1 N3O4C20H27 A3B4C20D27 -167.35 7.07 -9.07 -0.23 0
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182352 76879020 1 ClSN3O4C17H22 ABC3D4E17F22 -167.45 4.87 -10.04 -1.0 0
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182353 76879021 1 BrN2O5H17C19 AB2C5D17E19 -96.1 6.52 -8.58 -1.67 0
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182354 76879876 1 NSF3O5H12C15 ABC3D5E12F15 -279.56 11.32 -9.27 -1.01 0
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182355 76880022 1 N2O4C15H16 A2B4C15D16 -144.78 11.49 -9.0 -0.94 0
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182356 76880025 1 ClN2O2C7H7 AB2C2D7E7 -31.89 2.57 -10.26 -0.9 0
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182357 76880157 1 BrClON2H14C16 ABCD2E14F16 5.33 6.54 -8.26 -1.27 0
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182358 76880562 1 ClN2O2H15C16 AB2C2D15E16 -24.53 8.35 -9.73 -0.96 0