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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15744 449211 1 SN2O8C19H22 AB2C8D19E22 -285.79 5.77 -8.93 -1.02 0
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15745 449262 1 PN9O14C36H50 AB9C14D36E50 -687.86 9.71 -8.91 -0.57 0
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15746 449286 1 MgO5H7 AB5C7 -267.37 1.99 0.0 0.0 -1
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15748 449288 1 NaO6H12 AB6C12 -335.59 1.64 0.0 0.0 1
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15749 449393 1 PN10O12C20H25 AB10C12D20E25 -434.85 21.15 -9.13 -1.0 0
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15750 449427 1 MgO5H6 AB5C6 -223.5 1.93 -10.76 -0.52 -2
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15751 449466 1 S2N9O10C27H41 A2B9C10D27E41 -369.75 7.42 -9.74 -1.7 0
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15752 449470 1 C3O3H8 A3B3C8 -153.23 1.9 -10.59 1.62 0
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15753 449486 1 O2S2N5C13H15 A2B2C5D13E15 -0.18 3.95 -9.16 -1.21 0
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15754 449510 1 F2N4O6C25H36 A2B4C6D25E36 -386.2 2.44 -9.37 0.01 0
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15755 449522 1 N3O33C42H65 A3B33C42D65 -1443.99 7.87 -9.6 -0.19 0
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15756 449526 1 PC6O9H13 AB6C9D13 -472.24 2.22 -10.56 0.21 0
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15757 449585 1 BrNSCl2O2C14H16 ABCD2E2F14G16 -54.15 5.47 -9.1 -0.24 0
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15758 449614 1 PC5O5H11 AB5C5D11 -294.92 6.92 -10.56 0.75 0
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15759 449650 1 IN2O3C16H23 AB2C3D16E23 -87.49 5.3 -8.51 -0.98 0
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15760 449668 1 N2O3C16H22 A2B3C16D22 -121.15 5.79 -8.93 -1.01 0
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15761 449669 1 NaTcS2O9N11C29H34 ABC2D9E11F29G34 -95.56 35.37 0.0 0.0 1
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15762 449708 1 FO2C20H29 AB2C20D29 -121.76 5.58 -8.84 -0.43 0
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15763 449712 1 IO3C21H27 AB3C21D27 -111.77 1.61 -8.82 -0.82 0
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15764 449715 1 FO2C20H23 AB2C20D23 -18.13 1.07 -8.81 -0.17 0
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15765 449716 1 FO3C21H25 AB3C21D25 -132.24 2.27 -8.57 0.51 0
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15766 449850 1 FINO2C18H23 ABCD2E18F23 -110.31 2.13 -9.07 -0.89 0
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15767 450010 1 N2O4C11H14 A2B4C11D14 -139.75 8.04 -10.38 -0.61 0
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15768 450026 1 TcO20N24C46H72 AB20C24D46E72 -24.01 4.59 0.0 0.0 8
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15770 450256 1 NP2O6C7H11 AB2C6D7E11 -343.77 5.58 -9.08 -0.03 0
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15772 450260 1 N2S2C15H26 A2B2C15D26 -14.43 3.9 -8.34 0.23 0
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15773 450296 1 ON2S2C17H22 AB2C2D17E22 16.34 4.62 -8.22 -0.21 0
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15774 450303 1 TcN2S2O4C17H22 AB2C2D4E17F22 -7.78 10.71 0.0 0.0 0
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15775 450313 1 NSO2C11H15 ABC2D11E15 -66.5 2.86 -9.03 -0.21 0
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15776 450318 1 NOC7H7 ABC7D7 -18.49 4.15 -10.04 -0.33 0
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15777 450355 2 NOSC11H23 ABCD11E23 -165.73 4.0 -8.66 0.46 0
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15779 450422 1 INC10H14 ABC10D14 16.57 2.5 -9.17 -0.74 0
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15780 450436 1 IO2C18H23 AB2C18D23 -84.02 4.85 -8.75 -0.6 0
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15781 450445 1 TcO2S2C3H6 AB2C2D3E6 87.95 2.79 0.0 0.0 0
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15783 450505 1 ISN3O4C8H12 ABC3D4E8F12 -120.56 7.25 -9.56 -1.01 0
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15784 450517 1 TcP2Na4C5H6O10 AB2C4D5E6F10 -596.86 7.09 0.0 0.0 0
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15785 450518 1 ClTcN2O6H17C19 ABC2D6E17F19 313.86 10.13 0.0 0.0 0
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15786 450527 1 INO3C18H22 ABC3D18E22 -83.11 3.38 -9.27 -0.66 0
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15787 450528 1 OC2H6 AB2C6 -57.31 2.15 -10.5 2.78 0
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15788 450594 1 FNO2C5H8 ABC2D5E8 -141.92 4.13 -10.38 0.59 0
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15789 450611 1 SN5O6C25H33 AB5C6D25E33 -214.22 7.16 -8.66 -0.39 0
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15790 450613 1 O13C38H68 A13B38C68 -689.94 5.41 -9.73 0.35 0
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15791 450614 1 O3N5C9H13 A3B5C9D13 -71.12 6.09 -9.04 -0.56 0
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15792 450697 1 C5H12 A5B12 -31.02 0.07 -11.04 4.15 0
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15793 450807 1 FNO3C8H10 ABC3D8E10 -156.45 3.99 -8.92 -0.38 0
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15794 450893 1 NO2C12H17 AB2C12D17 -75.63 3.3 -8.43 0.1 0
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15795 451155 1 FO2C18H21 AB2C18D21 -115.82 2.31 -8.84 0.02 0
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15796 451159 1 FO3C26H37 AB3C26D37 -225.43 9.21 -9.64 0.16 0
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15797 451334 1 BrFO2H6C8 ABC2D6E8 -90.68 2.6 -9.06 -0.92 0
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15798 451375 1 IN3O3C9H12 AB3C3D9E12 -95.36 5.23 -9.67 -1.59 0
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15799 451440 1 PN10O10C20H25 AB10C10D20E25 -344.85 7.59 -9.65 -0.94 0
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15800 451446 1 PN6O19C59H109 AB6C19D59E109 -1055.79 12.88 -9.89 -1.91 0
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15801 451513 1 NO4C6H11 AB4C6D11 -186.87 3.52 -10.51 0.3 0
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15802 451660 1 BrNO3C26H54 ABC3D26E54 -168.9 41.63 -5.2 -2.25 0
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15803 451743 1 PN5O5C9H14 AB5C5D9E14 -205.23 11.34 -9.04 -0.04 0
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15804 451818 1 O4N6H54C55 A4B6C54D55 60.39 1.59 -8.7 -0.28 0
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15805 451869 1 N6S6O23H44C53 A6B6C23D44E53 -761.67 4.79 -9.33 -2.43 0
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15806 451882 1 SN2O5C12H16 AB2C5D12E16 -220.91 5.35 -9.68 -0.62 0
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15807 451895 1 N3O4C10H13 A3B4C10D13 -103.34 3.97 -9.48 -0.38 0
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15808 451914 1 ON8C11H14 AB8C11D14 83.58 4.76 -9.17 -0.62 0
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15809 451958 1 O3N5C12H13 A3B5C12D13 -58.0 6.81 -8.67 -0.48 0
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15810 451973 1 N3O5C11H15 A3B5C11D15 -199.92 7.55 -9.78 -0.59 0
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15811 452046 1 Si2N3O5C22H39 A2B3C5D22E39 -310.9 2.76 -9.01 -0.84 0
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15812 452094 1 O2N5C12H17 A2B5C12D17 -41.8 2.52 -8.86 -0.32 0
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15813 452179 1 O4N5C11H15 A4B5C11D15 -104.23 4.59 -9.67 -0.56 0
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15814 452185 1 N7O12C41H67 A7B12C41D67 -615.95 13.92 -9.37 -0.03 0
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15816 452203 1 N3P3C7O11H14 A3B3C7D11E14 -654.05 3.75 -9.7 -0.51 0
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15817 452205 1 N2P3C7O12H13 A2B3C7D12E13 -698.83 0.97 -10.03 -0.74 0
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15818 452219 1 O4N5C10H13 A4B5C10D13 -55.43 8.98 -9.81 -0.68 0
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15819 452224 1 N5O5C9H13 A5B5C9D13 -136.22 5.25 -10.17 -0.68 0
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15820 452238 1 O17H22C28 A17B22C28 -623.61 2.76 -9.25 -1.42 0
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15821 452242 1 O26H28C41 A26B28C41 -915.38 6.24 -8.99 -1.38 0
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15822 452257 1 PO9N10C21H27 AB9C10D21E27 -298.08 7.33 -9.45 -0.86 0
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15824 452620 1 NPO6C28H60 ABC6D28E60 -408.54 12.79 -9.46 0.11 0
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15825 452851 1 P2O14N15C30H37 A2B14C15D30E37 -537.66 3.6 -8.9 -0.8 0