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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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184445 77161735 1 NSiO5C27H51 ABC5D27E51 -352.91 2.32 -8.83 0.75 0
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184446 77162224 1 N4O4C21H30 A4B4C21D30 -161.81 6.25 -8.97 -0.3 0
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184447 77162225 1 N2O3C13H18 A2B3C13D18 -121.16 4.49 -9.65 -1.75 0
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184448 77162269 1 N2O3C13H18 A2B3C13D18 -125.25 4.56 -9.74 -1.73 0
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184449 77162270 1 FCl2O2N5H26C27 AB2C2D5E26F27 -13.32 5.48 -9.0 -1.3 0
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184450 77162271 1 SO3N4C18H22 AB3C4D18E22 -86.82 4.84 -8.61 -0.69 0
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184451 77162272 1 N4O5C18H26 A4B5C18D26 -194.68 5.78 -8.98 -0.2 0
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184452 77162273 1 F3O3N4C16H19 A3B3C4D16E19 -240.47 5.6 -9.22 -0.89 0
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184453 77162274 1 F3N4O4C17H21 A3B4C4D17E21 -308.61 3.71 -9.22 -0.88 0
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184454 77162275 1 FO3N4C17H23 AB3C4D17E23 -152.54 7.73 -9.13 -0.37 0
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184455 77162276 1 O5N7C33H51 A5B7C33D51 -174.86 8.26 -8.75 -0.8 0
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184456 77162277 1 FSCl2O4N5H28C34 ABC2D4E5F28G34 -60.06 7.33 -9.39 -1.23 0
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184457 77162278 1 FCl2O3N5H24C29 AB2C3D5E24F29 -48.1 4.51 -9.34 -1.14 0
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184458 77162279 1 O3N5H17C23 A3B5C17D23 56.38 5.25 -9.4 -2.31 0
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184459 77162280 1 Cl2N5O5C28H29 A2B5C5D28E29 -71.33 6.46 -8.83 -1.11 0
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184460 77162281 1 ClNO3C16H18 ABC3D16E18 -123.95 3.67 -8.92 -0.34 0
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184461 77162366 1 O4N5C22H33 A4B5C22D33 -148.98 6.16 -8.73 -0.22 0
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184462 77162684 1 ClNSO7C23H28 ABCD7E23F28 -274.87 2.86 -8.58 -0.6 0
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184463 77162826 1 SN3O7C37H47 AB3C7D37E47 -200.93 9.58 -8.5 -0.63 0
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184464 77162881 1 O4N5C28H39 A4B5C28D39 -129.22 5.79 -7.88 0.04 0
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184465 77162930 1 N7H9C16 A7B9C16 213.13 2.51 -9.23 -2.84 0
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184466 77163397 1 FO2N5C31H32 AB2C5D31E32 -44.74 7.12 -8.46 -0.26 1
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184467 77163407 1 Cl2O2F3N3H9C15 A2B2C3D3E9F15 -160.52 4.96 0.0 0.0 0
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184468 77163513 1 N5O5C23H27 A5B5C23D27 -150.23 4.0 -7.79 -0.49 0
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184469 77163514 1 N5O5C23H27 A5B5C23D27 -141.72 4.05 -8.87 -0.32 0