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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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169521 75116989 2 N2O2C11H14 A2B2C11D14 -68.79 11.62 -8.12 -1.56 0
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169522 75116990 1 ON2C18H22 AB2C18D22 -15.86 2.77 -9.15 -0.71 0
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169523 75116991 1 ON2C19H22 AB2C19D22 5.24 2.84 -9.16 -0.74 0
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169524 75117209 1 ClOSN3H16C18 ABCD3E16F18 46.86 6.82 -8.16 -1.12 0
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169525 75117243 1 S2N4O4C23H30 A2B4C4D23E30 -88.59 4.46 -8.77 -1.25 0
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169526 75117365 1 O5N7C27H43 A5B7C27D43 -216.25 1.12 -8.95 0.05 0
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169527 75117554 1 BrN2O4C19H23 AB2C4D19E23 -143.39 3.25 -9.23 -0.96 1
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169528 75117624 1 N3O3C17H20 A3B3C17D20 -56.11 4.04 0.0 0.0 0
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169529 75117625 1 ClO4N5C19H20 AB4C5D19E20 -93.89 3.79 -8.8 -0.37 0
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169530 75117626 1 ClSO4N5C20H20 ABC4D5E20F20 -79.99 7.96 -9.73 -0.97 0
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169531 75117633 1 N2O3H18C20 A2B3C18D20 -15.42 6.23 -9.04 -2.14 0
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169532 75117722 1 SN4O5C17H30 AB4C5D17E30 -248.7 4.45 -9.31 0.14 0
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169533 75117723 1 S2N3O3C17H17 A2B3C3D17E17 -55.23 7.43 -8.51 -1.66 0
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169534 75117724 1 SN3O5C15H27 AB3C5D15E27 -241.5 3.65 -9.46 0.11 0
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169535 75117725 1 SN3O6C23H25 AB3C6D23E25 -137.33 6.76 -8.66 -1.71 0
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169536 75117937 1 SCl2N3O4C16H21 AB2C3D4E16F21 -189.76 2.78 -9.55 -0.51 0
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169537 75117938 1 F3N4O4H19C21 A3B4C4D19E21 -197.61 8.24 -8.7 -0.95 0
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169538 75117939 1 N3O5H19C20 A3B5C19D20 -127.81 5.71 -8.44 -1.63 0
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169539 75117940 1 FN4O5H21C22 AB4C5D21E22 -163.27 12.07 -9.3 -0.94 0
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169540 75117941 1 S2N3O4C21H23 A2B3C4D21E23 -87.53 2.11 -8.94 -1.5 0
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169541 75118226 1 SO2N5C25H29 AB2C5D25E29 5.16 5.44 -8.79 -0.95 0
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169542 75118227 1 O2N5C23H23 A2B5C23D23 58.09 4.01 -8.56 -0.64 0
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169543 75118473 1 N4O6C27H28 A4B6C27D28 -142.47 4.32 -9.05 -0.63 1
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169544 75118501 1 N4O4C18H21 A4B4C18D21 -60.55 7.03 0.0 0.0 0
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169545 75118502 1 ClFN4O4C21H28 ABC4D4E21F28 -196.41 5.33 -9.44 -0.69 0