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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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192482 78274365 1 O4N5C21H36 A4B5C21D36 -182.85 3.79 0.0 0.0 1
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192483 78274366 1 SN4O6C21H27 AB4C6D21E27 -211.81 4.99 0.0 0.0 0
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192484 78274367 1 N5O5H25C26 A5B5C25D26 -86.31 2.82 -9.05 -0.94 1
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192485 78274368 1 ClN4O6H18C19 AB4C6D18E19 -154.39 0.88 0.0 0.0 1
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192486 78275011 1 S2F3O3N4C21H22 A2B3C3D4E21F22 -175.01 11.76 0.0 0.0 0
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192487 78275012 1 S2F3O3N4C21H21 A2B3C3D4E21F21 -178.31 9.22 -8.87 -1.5 1
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192488 78275013 1 SN2O4C19H29 AB2C4D19E29 -159.95 3.58 0.0 0.0 0
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192489 78275090 1 OSN3C22H25 ABC3D22E25 19.07 2.36 -8.29 -0.12 1
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192490 78275091 1 SO2F3N3H15C20 AB2C3D3E15F20 -146.77 3.44 0.0 0.0 1
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192491 78275152 1 SN3O3H14C16 AB3C3D14E16 -25.03 4.58 0.0 0.0 0
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192492 78275459 1 FN3O3H18C22 AB3C3D18E22 -78.16 3.97 -9.18 -0.93 0
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192493 78275486 1 BrO2N3C20H20 AB2C3D20E20 -36.82 3.85 -9.12 -0.52 0
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192494 78275618 1 SO3N4H18C19 AB3C4D18E19 18.9 2.23 -8.55 -0.28 1
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192495 78275645 1 SO3N7C21H22 AB3C7D21E22 -5.21 4.54 0.0 0.0 1
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192496 78275646 1 SN4O4C22H29 AB4C4D22E29 -112.9 8.58 0.0 0.0 0
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192497 78276358 1 SN3O5C23H29 AB3C5D23E29 -146.11 5.91 -9.42 -1.2 0
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192498 78276391 1 NSO7C22H25 ABC7D22E25 -223.0 5.5 -9.6 -1.38 0
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192499 78276872 1 SO2N5C22H31 AB2C5D22E31 -55.28 2.24 -8.9 -0.71 0
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192500 78277519 1 NSO3C18H21 ABC3D18E21 -115.57 5.71 -8.73 -1.12 0
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192501 78277830 1 ClFNO3H11C12 ABCD3E11F12 -152.23 8.01 -9.07 -0.83 0
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192502 78278371 1 ClFSN2O3H14C15 ABCD2E3F14G15 -153.85 10.01 -8.98 -0.73 -1
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192503 78278372 1 NSO4C13H18 ABC4D13E18 -155.81 6.46 0.0 0.0 0
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192504 78278373 1 SN2O3C7H10 AB2C3D7E10 -71.56 8.64 -10.04 -1.15 -1
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192505 78278374 1 NO3C10H14 AB3C10D14 -55.08 18.78 0.0 0.0 -1
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192506 78278375 1 N4O4C8H15 A4B4C8D15 -178.06 6.1 0.0 0.0 0
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192507 78278376 1 FNSO5C14H16 ABCD5E14F16 -232.03 5.75 -9.89 -1.38 0
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192508 78279235 1 SO6C12H12 AB6C12D12 -220.86 1.9 -10.75 -1.3 1
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192509 78279257 1 SO3N5H14C15 AB3C5D14E15 -0.42 5.34 0.0 0.0 0
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192510 78279258 1 SN3O9H21C24 AB3C9D21E24 -156.42 11.09 -9.18 -1.89 0
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192511 78279259 1 SF2N2O2H18C20 AB2C2D2E18F20 -115.53 4.07 -8.97 -1.22 0
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192512 78279260 1 SO2N6C20H20 AB2C6D20E20 40.83 3.88 -8.78 -0.22 1
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192513 78279261 1 S2N3O4C17H28 A2B3C4D17E28 -127.22 5.83 0.0 0.0 0
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192514 78279380 1 N3O3C20H27 A3B3C20D27 -77.9 5.66 -8.3 -0.87 0
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192515 78279453 1 NO3C22H23 AB3C22D23 -101.26 4.96 -9.07 -0.34 1
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192516 78279454 1 S2O3N5C10H12 A2B3C5D10E12 -41.15 5.61 0.0 0.0 1
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192517 78279455 1 O2N3C14H18 A2B3C14D18 2.19 3.41 0.0 0.0 1
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192518 78279456 1 O2N3C16H18 A2B3C16D18 21.72 3.48 0.0 0.0 1
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192519 78279457 1 N4O4C21H25 A4B4C21D25 -100.54 6.19 0.0 0.0 1
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192520 78279480 1 SN3O4C19H28 AB3C4D19E28 -98.8 5.97 0.0 0.0 0
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192521 78279752 1 NSO6C25H25 ABC6D25E25 -198.12 2.7 -9.49 -0.83 0
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192522 78279775 1 O3N5C17H21 A3B5C17D21 -35.95 9.16 -9.6 -1.61 1
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192523 78279815 1 O3N4C19H27 A3B4C19D27 -77.08 3.59 0.0 0.0 1
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192524 78279951 1 N2O2C18H29 A2B2C18D29 -63.94 4.14 0.0 0.0 1
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192525 78280012 1 O2N3C18H20 A2B3C18D20 8.65 6.33 0.0 0.0 0
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192526 78280169 1 ClN2O6H15C18 AB2C6D15E18 -115.05 10.92 -9.4 -1.45 1
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192527 78280591 1 SO2F3N4C23H26 AB2C3D4E23F26 -146.09 5.72 0.0 0.0 0
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192528 78280910 1 NO5C20H21 AB5C20D21 -158.12 6.02 -8.64 -1.27 0
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192529 78281158 1 N2O6H16C19 A2B6C16D19 -143.2 2.21 -9.07 -1.27 1
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192530 78281678 1 SN4C17H25 AB4C17D25 67.58 4.26 0.0 0.0 0
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192531 78281725 1 SO3N8C22H24 AB3C8D22E24 9.65 3.87 -9.51 -1.1 0