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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217777 85088367 2 O5C9H11 A5B9C11 -418.01 1.01 -9.92 -0.42 1
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217778 85088375 1 N4O4C21H25 A4B4C21D25 -92.02 6.53 0.0 0.0 0
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217779 85088377 1 PSN2O5C16H35 ABC2D5E16F35 -317.5 11.72 -8.4 -0.26 1
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217780 85088378 1 PSN2O5C16H36 ABC2D5E16F36 -299.3 3.48 0.0 0.0 0
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217781 85088379 1 N2O3C23H46 A2B3C23D46 -235.52 3.51 -9.36 0.87 0
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217782 85088380 1 OSSiN2C22H30 ABCD2E22F30 1.16 4.45 -8.11 -0.09 0
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217783 85088381 1 OC28H46 AB28C46 -108.6 4.04 -9.8 0.19 0
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217784 85088382 1 BrN4O5C14H15 AB4C5D14E15 -128.04 1.21 -9.35 -1.9 0
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217785 85088383 1 N5O6H17C18 A5B6C17D18 -165.29 8.62 -9.47 -1.32 0
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217786 85088384 1 NO6C22H25 AB6C22D25 -227.46 5.95 -9.13 0.07 0
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217787 85088385 1 O4N5C20H25 A4B5C20D25 -92.82 8.76 -8.39 0.04 0
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217788 85088391 1 NSSiO4C19H33 ABCD4E19F33 -203.51 6.89 -8.92 -0.46 0
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217789 85088392 2 ClMgH8C11 ABC8D11 -68.79 3.2 -8.1 -1.59 0
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217790 85088393 1 P3C7O13H15 A3B7C13D15 -761.63 5.47 -10.76 -0.44 0
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217791 85088394 1 IN2O4C14H17 AB2C4D14E17 -70.3 6.76 -9.33 -1.84 0
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217792 85088398 1 SN2O5C20H20 AB2C5D20E20 -148.2 7.37 -9.6 -1.01 0
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217793 85088399 1 O6C23H28 A6B23C28 -229.12 2.46 -9.38 -0.14 0
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217794 85088401 1 ON6C23H24 AB6C23D24 94.69 5.76 -9.5 -1.15 0
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217795 85088402 1 S3N4O4C14H16 A3B4C4D14E16 -79.13 6.92 -9.09 -1.33 0
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217796 85088405 1 O5C24H32 A5B24C32 -189.9 4.83 -8.27 -0.83 0
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217797 85088407 2 NOC13H14 ABC13D14 -49.88 2.22 -8.53 -0.3 0
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217798 85088408 1 SiO5C22H28 AB5C22D28 -233.42 2.8 -9.18 -0.09 0
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217799 85088409 2 O3C11H20 A3B11C20 -340.32 1.57 -9.91 0.38 0
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217800 85088410 1 O4C25H36 A4B25C36 -156.36 3.1 -9.13 -1.7 0
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217801 85088412 1 ClN2O4C21H21 AB2C4D21E21 -122.74 4.43 -8.61 -0.9 0
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217802 85088413 1 SnO2C18H34 AB2C18D34 -103.87 4.49 -9.09 0.98 0
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217803 85088414 1 BrO4H17C20 AB4C17D20 -95.41 7.27 -9.37 -0.96 0
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217804 85088415 1 BrO5C18H25 AB5C18D25 -124.49 7.94 -8.38 -0.1 -1
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217805 85088416 1 FN4O4C20H22 AB4C4D20E22 16.27 6.21 0.0 0.0 0
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217806 85088417 1 NO6C22H27 AB6C22D27 -227.05 2.76 -9.69 -0.26 0
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217807 85088419 1 NSO5C21H23 ABC5D21E23 -142.18 4.77 -8.46 -0.82 0
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217808 85088420 1 NSSiO5C18H31 ABCD5E18F31 -247.97 3.12 -9.12 -0.18 0
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217809 85088421 1 NSO4C21H39 ABC4D21E39 -206.06 6.61 -9.9 0.15 0
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217810 85088422 1 NSiO5C20H39 ABC5D20E39 -255.28 2.93 -8.78 0.1 0
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217811 85088423 1 NO4C23H47 AB4C23D47 -281.73 4.76 -9.92 0.87 0
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217812 85088424 1 ClOSN5C19H20 ABCD5E19F20 29.38 5.37 -8.81 -0.92 0
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217813 85088425 1 ClO2N3C22H28 AB2C3D22E28 -55.2 5.1 -8.51 -0.07 0
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217814 85088426 1 Cl2N5O5H13C14 A2B5C5D13E14 -141.92 4.4 -9.2 -0.77 0
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217815 85088427 1 BrNSO3H12C18 ABCD3E12F18 -40.98 2.78 -9.56 -1.32 0
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217816 85088428 1 IS2N4H11C12 AB2C4D11E12 106.18 3.53 -8.73 -1.72 0
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217817 85088429 2 F4H5C10 A4B5C10 -290.17 2.82 -9.98 -1.47 0
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217818 85088430 1 O10C19H20 A10B19C20 -394.91 2.42 -8.99 -0.99 0
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217819 85088431 1 N4O9C15H24 A4B9C15D24 -373.05 4.3 -9.74 -0.27 0
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217820 85088432 1 O8C21H22 A8B21C22 -279.12 4.01 -8.96 -0.36 0
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217821 85088433 6 OH3C4 AB3C4 -150.23 4.9 -8.65 -2.27 0
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217822 85088435 1 N2O5H18C23 A2B5C18D23 -86.84 2.8 -8.51 -1.28 0
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217823 85088436 1 O7C22H26 A7B22C26 -230.73 3.19 -8.42 -0.18 0
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217824 85088438 1 O7C22H26 A7B22C26 -250.13 1.17 -9.58 -0.1 0
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217825 85088439 2 NO2H11C12 AB2C11D12 -84.12 3.63 -8.08 -0.64 0
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217826 85088440 1 SO6C21H22 AB6C21D22 -184.0 5.66 -8.68 -0.45 0