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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225992 87246554 1 NC6O8H11 AB6C8D11 -248.32 2.17 -10.49 -1.27 0
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225993 87246556 1 LiN3C8H21 AB3C8D21 18.49 4.44 0.0 0.0 0
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225994 87246557 1 N3C11H27 A3B11C27 -38.33 3.41 -8.98 2.85 0
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225995 87246558 1 N3C11H27 A3B11C27 -43.2 3.13 -8.96 2.87 0
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225996 87246561 1 NO2Si3C12H31 AB2C3D12E31 -131.99 0.75 -7.62 -1.59 1
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225997 87246567 1 ON2C12H15 AB2C12D15 45.68 4.52 0.0 0.0 0
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225998 87246568 1 FO3N5H22C26 AB3C5D22E26 -30.5 6.83 -8.94 -0.79 0
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226000 87246577 1 COReRhH2 ABCDE2 196.88 8.89 -10.72 -4.76 0
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226001 87246581 1 NCl2O3C10H15 AB2C3D10E15 -161.3 6.4 -9.96 -0.66 0
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226002 87246586 1 N4O5C9H22 A4B5C9D22 -229.22 9.19 -9.56 0.46 0
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226003 87246587 1 FN5O6H30C31 AB5C6D30E31 -212.19 9.18 -9.02 -1.06 0
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226004 87246588 1 LiN3C9H24 AB3C9D24 -27.2 3.34 -7.16 3.12 3
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226005 87246590 1 FeNC2O3H5 ABC2D3E5 111.86 2.48 -7.28 -0.74 0
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226006 87246593 1 F3O5C23H25 A3B5C23D25 -331.6 8.74 -9.34 -1.06 0
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226007 87246594 2 NC9H9 AB9C9 59.29 1.38 -8.99 -1.21 0
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226008 87246598 1 N3F6H17C19 A3B6C17D19 -228.27 5.56 -9.47 -0.83 0
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226009 87246599 1 N3F6H15C19 A3B6C15D19 -227.85 5.35 -9.67 -1.8 0
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226010 87246600 1 N3F6H15C19 A3B6C15D19 -216.89 5.21 -9.02 -1.15 0
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226011 87246601 1 ON2C10H16 AB2C10D16 -12.35 3.66 -10.94 0.25 0
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226012 87246602 1 AlH5C6O8 AB5C6D8 -339.2 4.61 -10.12 -1.31 0
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226013 87246603 1 SiC6N6H21 AB6C6D21 49.68 1.81 0.0 0.0 0
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226014 87246604 1 PC20H43 AB20C43 -80.56 1.88 -8.94 2.83 0
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226015 87246611 1 FSN4O5H23C27 ABC4D5E23F27 -110.69 4.46 -9.01 -1.0 0
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226016 87246614 1 N2O2C23H36 A2B2C23D36 -76.64 3.59 -8.84 0.3 0
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226018 87246619 1 Cl2N3F7H16C31 A2B3C7D16E31 -145.83 1.31 -8.98 -1.43 0
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226019 87246620 1 FO2N7C22H22 AB2C7D22E22 0.69 3.53 -8.53 -0.88 0
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226020 87246622 1 OC14H22 AB14C22 -21.23 1.11 -9.48 1.2 0
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226021 87246626 1 SO2C6H10 AB2C6D10 -79.39 4.85 -9.51 -0.11 0
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226022 87246629 1 NSO5C23H27 ABC5D23E27 -174.81 8.46 -9.4 -0.48 0
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226023 87246632 1 FSCl2O6N13H36C50 ABC2D6E13F36G50 12.23 6.72 -9.15 -1.5 0
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226024 87246633 1 FSCl2O6N13H36C50 ABC2D6E13F36G50 13.96 6.58 -8.88 -1.47 0
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226025 87246634 1 N2S2O5F6H10C18 A2B2C5D6E10F18 -411.61 9.99 -9.63 -2.76 0
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226026 87246637 1 SN2F3O3C10H17 AB2C3D3E10F17 -274.79 19.2 -9.9 -1.25 0
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226027 87246638 1 ClN4O4C29H37 AB4C4D29E37 -118.19 3.08 -9.16 -0.33 0
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226028 87246640 1 O2P2C31H34 A2B2C31D34 -68.76 5.06 -9.4 -0.21 0
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226029 87246641 2 OPC14H14 ABC14D14 -57.07 1.92 -9.46 -0.08 0
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226030 87246645 1 O2P2C33H38 A2B2C33D38 -76.37 4.48 -9.4 -0.2 0
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226031 87246646 1 ClN3O4H18C19 AB3C4D18E19 -36.96 3.6 -9.0 -0.83 0
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226032 87246649 1 FCl2N4O4C43H51 AB2C4D4E43F51 -135.26 10.95 -8.81 -0.3 0
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226033 87246650 1 NO8C18H21 AB8C18D21 -318.74 5.43 -9.64 -1.5 0
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226034 87246651 2 BrO2S2C21H28 AB2C2D21E28 -156.01 1.05 -9.1 -1.62 0
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226035 87246657 1 NO4C11H19 AB4C11D19 -198.3 4.25 -9.52 0.17 0
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226036 87246659 1 N4O4H14C15 A4B4C14D15 14.17 9.61 -9.05 -1.5 1
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226037 87246660 1 N2P2O7C20H49 A2B2C7D20E49 -467.23 13.99 0.0 0.0 0
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226038 87249368 2 NO3C6H9 AB3C6D9 -232.98 3.51 -9.56 -0.03 0
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226039 87250285 1 ClSO2C14H21 ABC2D14E21 -95.22 6.21 -10.55 -1.24 0
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226040 87250316 1 IO2N3F8H18C21 AB2C3D8E18F21 -397.59 2.6 -9.55 -1.32 0
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226041 87256558 1 O2C15H32 A2B15C32 -155.28 4.91 -9.04 0.64 0
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226042 87256882 1 SO3F7C9H11 AB3C7D9E11 -472.72 4.48 -11.7 -0.72 0
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226043 87259450 1 NO5H25C26 AB5C25D26 -121.61 2.76 -9.0 -0.63 0