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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168612 74994481 1 N3O4C6H12 A3B4C6D12 -139.4 10.53 0.0 0.0 -1
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168613 74994857 1 Cl3O4N5C36H37 A3B4C5D36E37 -47.43 1.32 0.0 0.0 0
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168614 74995037 1 Cl2N3O3C25H33 A2B3C3D25E33 -146.6 3.8 -8.53 -1.03 -1
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168615 74995358 1 PN4O9C35H44 AB4C9D35E44 -363.76 12.18 0.0 0.0 0
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168616 74995359 1 PN4O9C27H51 AB4C9D27E51 -561.52 2.54 -9.78 -0.14 0
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168617 74995599 1 NaSN2O5C13H15 ABC2D5E13F15 -179.76 15.96 -7.68 -0.21 0
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168619 74996025 1 Cl2O3N5C24H24 A2B3C5D24E24 -26.74 2.87 0.0 0.0 0
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168620 74996176 1 Cl2N3O4C28H35 A2B3C4D28E35 -158.9 6.14 -8.74 -0.67 0
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168621 74996444 1 N3F4O4C20H21 A3B4C4D20E21 -308.31 13.02 -8.92 -1.11 0
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168622 74996445 2 SO2N3H6C9 AB2C3D6E9 122.91 4.33 -8.74 -1.72 0
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168623 74996446 1 ClNO3C9H16 ABC3D9E16 -180.03 2.02 -10.64 -0.24 0
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168624 74996778 1 NO5C23H27 AB5C23D27 -61.02 3.05 -8.24 -1.14 0
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168625 74997153 1 ClN3O3H10C13 AB3C3D10E13 -30.95 5.55 -10.22 -2.44 0
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168626 74997154 1 N3O5C27H33 A3B5C27D33 -97.14 6.28 -8.23 -0.39 0
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168627 74997162 1 NO5C22H25 AB5C22D25 -164.18 5.89 -8.87 -0.28 0
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168628 74997480 1 NSO3C24H25 ABC3D24E25 -45.56 6.89 -8.53 -0.16 0
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168629 74997613 1 N2O4C25H30 A2B4C25D30 -139.26 2.62 -9.5 -1.49 0
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168630 74997658 1 FNaCl2O5C19H22 ABC2D5E19F22 -274.31 17.02 -8.15 -1.29 0
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168631 74997659 1 FCl2O5C19H23 AB2C5D19E23 -281.3 2.37 -9.33 -0.78 0
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168632 74997660 1 NNaO6C27H42 ABC6D27E42 -354.01 6.7 -9.04 -0.01 0
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168633 74997705 1 N3O6C17H21 A3B6C17D21 -238.11 8.1 -9.47 -0.79 0
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168634 74997706 1 NaO5C21H31 AB5C21D31 -253.94 15.0 -8.51 -0.24 0
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168635 74997707 1 O5C21H32 A5B21C32 -255.42 4.49 -9.01 0.29 0
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168636 74997919 1 FSN2O2C15H19 ABC2D2E15F19 -113.21 0.9 -8.78 -1.16 0
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168637 74997920 1 FSN2O2C12H13 ABC2D2E12F13 -94.61 0.74 -8.83 -1.21 0
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168638 74997921 1 N2S2O3C16H22 A2B2C3D16E22 -97.27 3.4 -8.46 -0.88 0
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168639 74997922 1 N2S2O3C16H22 A2B2C3D16E22 -99.45 2.87 -8.46 -0.88 0
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168640 74997923 1 SN3O4C28H31 AB3C4D28E31 -82.79 2.35 -8.82 -0.06 0
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168641 74997924 1 FSN2O2C15H19 ABC2D2E15F19 -116.27 3.98 -8.75 -1.16 0
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168642 74998013 1 SN3O4C21H31 AB3C4D21E31 -154.83 4.33 -9.08 0.01 1
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168643 74998014 1 ON6C34H53 AB6C34D53 35.14 3.49 0.0 0.0 0
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168644 74998015 1 ON6C34H52 AB6C34D52 17.93 7.25 -8.49 0.39 1
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168645 74998204 1 NO2C19H22 AB2C19D22 -46.56 4.44 0.0 0.0 0
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168646 74998205 1 O3N4C7H16 A3B4C7D16 -136.13 4.71 -9.66 0.26 0
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168647 74998206 2 ON3C12H14 AB3C12D14 3.39 2.98 -9.4 -0.88 0
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168648 74998207 1 ClS2N5O6C19H26 AB2C5D6E19F26 -177.86 3.49 -8.82 -0.53 1
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168649 74998208 1 NO2C21H26 AB2C21D26 -35.91 4.26 0.0 0.0 0
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168650 74998329 1 N5O7C13H19 A5B7C13D19 -237.66 4.68 -10.39 -0.65 0
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168651 74998342 1 N3O4C23H23 A3B4C23D23 -114.44 2.63 -9.04 -0.42 1
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168652 74998919 1 OSN5H18C19 ABC5D18E19 118.26 2.53 0.0 0.0 0
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168653 74998949 1 NaSN2O5C15H21 ABC2D5E15F21 -246.99 11.12 -8.21 -0.44 1
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168654 74998950 1 N6C21H23 A6B21C23 142.73 1.71 0.0 0.0 0
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168655 74999222 1 N2O12C37H68 A2B12C37D68 -583.29 1.96 -8.85 0.45 0
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168656 74999571 1 O2N5H13C21 A2B5C13D21 100.16 3.11 -8.6 -2.55 0
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168657 74999778 2 N2O9C37H43 A2B9C37D43 -619.44 8.22 -8.29 -0.26 -1
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168658 74999855 1 PSO3C19H24 ABC3D19E24 -158.52 0.71 0.0 0.0 0
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168659 74999880 1 SN15O16C54H83 AB15C16D54E83 -716.39 4.52 -8.88 -0.33 0
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168660 74999881 1 SN4O4C22H28 AB4C4D22E28 -156.52 10.57 -8.56 -0.47 0
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168661 74999882 1 NO15C53H59 AB15C53D59 -532.83 12.19 -9.66 -0.79 0
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168662 74999979 1 Cl2N3O9H31C32 A2B3C9D31E32 -331.94 9.09 -9.59 -1.46 0