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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162477 57394797 1 FO2N5C26H28 AB2C5D26E28 -39.84 4.65 -8.69 -0.96 0
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162478 57394801 1 N3O3H15C17 A3B3C15D17 -26.99 4.99 -9.11 -1.08 0
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162479 57394802 1 O3N4H14C17 A3B4C14D17 -27.28 3.15 -9.73 -1.3 0
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162480 57394804 3 NOH5C7 ABC5D7 -17.15 6.38 -8.57 -1.35 0
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162481 57394806 1 ClON2F3H8C12 ABC2D3E8F12 -165.0 5.17 -9.07 -0.86 0
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162482 57394811 1 NO2H15C18 AB2C15D18 -12.56 7.68 -8.27 -1.26 0
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162483 57394816 1 O2N4H30C35 A2B4C30D35 98.12 3.92 -8.13 -1.32 0
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162484 57394823 1 N4C21H24 A4B21C24 72.09 3.03 -7.96 -0.11 0
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162485 57394828 1 O2N4C23H26 A2B4C23D26 -28.42 7.88 -8.58 -0.49 0
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162487 57394832 1 S3N5O7C28H31 A3B5C7D28E31 -163.75 9.02 -8.88 -1.11 0
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162489 57394844 1 ClFSN3O4C27H29 ABCD3E4F27G29 -184.64 3.02 -8.52 -0.79 1
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162490 57394847 1 NaN2S2O4H10C11 AB2C2D4E10F11 -185.76 8.86 0.0 0.0 0
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162491 57394852 1 N2O2C13H16 A2B2C13D16 -53.73 4.95 -9.72 -0.34 0
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162492 57394853 1 FSN2O3C13H17 ABC2D3E13F17 -161.89 5.79 -9.57 -1.02 0
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162493 57394855 1 FSN2O3C14H19 ABC2D3E14F19 -159.4 5.81 -9.51 -0.72 0
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162494 57394858 1 OF2N4C20H20 AB2C4D20E20 -44.8 3.99 -8.75 -0.85 0
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162496 57394862 1 ClO2S2F3N4H6C15 AB2C2D3E4F6G15 -116.72 2.01 -9.47 -2.19 0
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162497 57394866 1 N2H20C23 A2B20C23 103.81 1.96 -8.25 -0.28 0
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162499 57394871 1 O3N8C25H30 A3B8C25D30 18.75 6.28 -9.0 -1.66 0
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162500 57394872 1 SN2O5H26C27 AB2C5D26E27 -142.49 2.27 -8.65 -1.32 0
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162501 57394874 1 N2O5H30C32 A2B5C30D32 -128.07 5.01 -9.43 -0.63 0
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162502 57394877 1 BrOSN3H14C18 ABCD3E14F18 77.9 7.31 -9.23 -1.05 0
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162503 57394879 1 BrN5H16C19 AB5C16D19 109.07 3.26 -8.37 -0.49 0
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162505 57394884 1 SN2H20C23 AB2C20D23 80.9 1.69 -8.42 -0.72 0
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162506 57394887 1 BrSO2N4H13C17 ABC2D4E13F17 38.14 9.72 -9.03 -1.14 0
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162507 57394889 1 BrSO2N3H16C18 ABC2D3E16F18 -0.19 12.0 -8.91 -0.85 0
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162508 57394893 2 NSO2C13H13 ABC2D13E13 -86.86 9.57 -9.28 -1.02 0
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162509 57394897 1 PN2O7C12H17 AB2C7D12E17 -343.22 5.94 -10.17 -0.8 0
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162510 57394898 1 SN4O6C22H28 AB4C6D22E28 -191.57 4.99 -9.13 -0.46 0
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162511 57394900 1 N2O3C18H18 A2B3C18D18 -48.22 4.65 -9.24 -0.34 0
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162512 57394905 1 SN3O4C19H19 AB3C4D19E19 -81.13 11.48 -8.56 -1.48 0
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162514 57394912 1 ON7H13C18 AB7C13D18 160.0 4.42 -9.53 -2.21 0
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162515 57394915 1 O2N3C30H33 A2B3C30D33 -15.36 7.08 -8.2 -0.22 0
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162516 57394919 1 FO2N3H26C28 AB2C3D26E28 -31.56 3.66 -8.27 -0.17 0
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162519 57394932 1 ON7C19H21 AB7C19D21 50.14 3.13 -7.82 -0.55 0
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162520 57394935 1 ON7C17H17 AB7C17D17 51.14 1.07 -7.89 -0.58 0
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162521 57394936 1 ON7C19H23 AB7C19D23 58.62 2.65 -7.8 -0.39 0
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162522 57394937 1 O4C25H48 A4B25C48 -280.71 3.02 -9.84 0.47 0
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162523 57394941 1 NO8C47H61 AB8C47D61 -320.48 8.38 -8.2 -0.84 0
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162524 57394943 1 BrSN3O4H14C19 ABC3D4E14F19 -62.8 6.58 -8.58 -1.44 0
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162525 57394946 1 ClN4O12C49H81 AB4C12D49E81 -586.5 4.13 -8.71 -0.8 0
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162526 57394947 1 ClON3C15H24 ABC3D15E24 -58.29 3.26 -8.21 0.03 0
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162527 57394948 1 SN4O4C19H28 AB4C4D19E28 -119.43 6.81 -9.09 -0.29 -4
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162528 57394954 1 P4N10C21O21H26 A4B10C21D21E26 -766.82 9.26 -8.89 -2.57 -3
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162529 57394957 1 P3N10O18C22H28 A3B10C18D22E28 -712.83 6.9 0.0 0.0 0
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162530 57394958 1 NO5C27H37 AB5C27D37 -189.4 1.45 -8.67 -0.24 0
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162531 57394961 1 BrO2N4H17C18 AB2C4D17E18 24.76 3.58 -9.27 -0.93 0
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162532 57394962 1 ClNO2H10C13 ABC2D10E13 -15.52 4.84 -9.36 -1.41 0
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162533 57394970 1 O2F3N3C25H34 A2B3C3D25E34 -225.9 7.11 -9.45 -0.89 0
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162534 57394971 1 ON4C28H36 AB4C28D36 -1.81 2.86 -8.32 0.11 0