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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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376666 134222689 1 NOSC6H11 ABCD6E11 19.99 3.82 -9.18 1.25 0
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376667 134222690 1 OC13H22 AB13C22 -57.08 1.95 -9.56 1.21 0
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376668 134222691 1 OC14H26 AB14C26 -90.83 2.51 -9.71 1.26 0
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376669 134222692 1 OC13H24 AB13C24 -81.33 1.33 -9.55 1.33 0
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376670 134222693 1 OC14H28 AB14C28 -114.89 2.48 -10.04 2.99 0
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376671 134222694 1 OC13H26 AB13C26 -105.68 1.67 -9.38 2.5 0
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376672 134222695 1 NO6C30H39 AB6C30D39 -204.18 4.29 -8.64 -0.41 0
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376673 134222696 1 NO6C29H35 AB6C29D35 -183.25 3.29 -8.65 -0.47 0
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376674 134222697 1 O2C7H7F9 A2B7C7D9 -584.0 3.03 -12.25 -0.32 0
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376675 134222698 1 NO5C26H31 AB5C26D31 -182.93 4.03 -8.95 -0.47 0
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376676 134222699 1 NO8C31H33 AB8C31D33 -285.95 4.32 -9.15 -0.74 0
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376677 134222700 1 NO5C26H29 AB5C26D29 -155.55 4.55 -8.88 -0.4 0
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376678 134222701 1 NO5C28H33 AB5C28D33 -140.67 5.74 -8.76 -0.24 0
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376679 134222702 1 NO9C34H39 AB9C34D39 -361.5 6.32 -8.88 -0.66 0
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376680 134222703 1 NO5C29H37 AB5C29D37 -162.94 2.85 -8.61 -0.46 0
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376681 134222704 1 NO7C30H33 AB7C30D33 -240.25 4.61 -8.89 -0.52 0
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376682 134222705 1 NO4C30H37 AB4C30D37 -150.87 4.63 -8.74 -0.18 0
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376683 134222706 1 ClNO5C26H30 ABC5D26E30 -193.66 4.35 -9.03 -0.62 0
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376684 134222707 1 NO6C26H29 AB6C26D29 -201.21 3.76 -8.88 -0.43 0
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376685 134222708 1 ClNO5C26H28 ABC5D26E28 -165.89 3.63 -8.95 -0.53 0
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376686 134222709 1 NO6C26H31 AB6C26D31 -228.87 2.48 -8.95 -0.5 0
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376687 134222710 1 NO6C26H33 AB6C26D33 -250.19 3.91 -8.84 -0.3 0
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376688 134222711 1 NO5C26H33 AB5C26D33 -206.52 3.26 -8.94 -0.39 0
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376689 134222712 1 NSH11C13 ABC11D13 65.52 1.74 -8.25 -0.6 0
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376690 134222713 1 N3C11H15 A3B11C15 68.92 4.28 -8.54 -0.62 0
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376691 134222714 1 N2F6O6C25H28 A2B6C6D25E28 -564.11 3.0 -9.39 -0.75 0
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376693 134222716 1 FPSN5O6C22H34 ABCD5E6F22G34 -289.48 2.29 0.0 0.0 1
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376694 134222717 1 FPN5O5C14H20 ABC5D5E14F20 -224.65 2.6 0.0 0.0 0
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376695 134222718 1 O3C36H74 A3B36C74 -284.01 2.92 -9.43 1.6 0
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376696 134222719 1 FPN7O7C25H35 ABC7D7E25F35 -347.17 5.8 -8.46 -0.08 0
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376697 134222720 1 FPN7O7C25H35 ABC7D7E25F35 -351.3 5.83 -8.53 -0.17 0
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376698 134222721 1 FPN7O7C26H37 ABC7D7E26F37 -346.62 4.94 -8.31 -0.05 0
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376699 134222722 1 FPN7O7C25H35 ABC7D7E25F35 -349.79 3.58 -8.48 -0.12 0
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376700 134222723 1 FPN7O7C26H37 ABC7D7E26F37 -344.58 2.24 -8.14 0.01 0
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376701 134222724 1 FPN7O7C26H37 ABC7D7E26F37 -345.73 5.14 -8.5 -0.22 0
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376702 134222725 1 NPO4C22H32 ABC4D22E32 -219.09 2.92 -8.59 -0.35 0
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376703 134222726 1 NPO3C12H26 ABC3D12E26 -224.26 3.28 -9.48 0.7 0
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376704 134222727 1 NPSO3C22H32 ABCD3E22F32 -191.17 5.56 -8.6 -0.48 0
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376705 134222729 1 FP2N7O7C18H30 AB2C7D7E18F30 -372.33 4.26 -8.52 -0.43 0
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376706 134222730 1 NPO4F5H15C17 ABC4D5E15F17 -403.05 3.61 -9.65 -1.54 0
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376707 134222732 1 NC13H25 AB13C25 -22.29 1.0 -8.48 2.56 0
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376708 134222733 1 FPN6O7C25H34 ABC6D7E25F34 -354.36 4.76 -8.59 -0.19 0
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376709 134222734 1 SN2O2H30C36 AB2C2D30E36 85.01 6.63 -8.32 -0.54 0
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376710 134222735 1 NO4C22H27 AB4C22D27 -168.79 2.1 -9.36 0.07 0
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376711 134222736 1 NO2C17H19 AB2C17D19 -54.39 2.78 -9.24 -0.01 0
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376712 134222737 1 Cl2O3N5C28H31 A2B3C5D28E31 -77.74 3.47 -8.47 -0.95 0
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376713 134222738 1 OC14H14 AB14C14 65.64 1.32 -9.41 0.12 0
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376714 134222739 1 FON4C31H35 ABC4D31E35 -44.69 4.38 -8.54 -0.88 0
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376715 134222740 1 NO2F3C19H24 AB2C3D19E24 -215.12 2.42 -9.17 -0.76 0
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376716 134222741 1 NSF2O3C27H33 ABC2D3E27F33 -192.95 6.99 -8.1 -0.87 0
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376717 134222742 1 SN8C39H46 AB8C39D46 152.73 4.19 -8.03 -1.31 0
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376718 134222743 1 NC16H31 AB16C31 -56.61 1.28 -8.33 2.95 0
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376719 134222744 1 ClFO3N5H23C26 ABC3D5E23F26 -73.55 6.38 -9.4 -1.3 0
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376720 134222745 1 N4S4C29H58 A4B4C29D58 -56.87 4.18 -8.59 -1.19 0
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376721 134222746 1 BrC17H25 AB17C25 -35.72 2.15 -8.76 0.08 0
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376722 134222747 1 OC20H26 AB20C26 -59.25 2.35 -8.44 0.55 0
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376723 134222748 2 N2S2C13H26 A2B2C13D26 -39.66 3.19 -8.51 -1.26 0
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376724 134222749 1 O2F8H16C25 A2B8C16D25 -407.1 5.9 -9.71 -1.31 0
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376725 134222750 1 O3F8H20C27 A3B8C20D27 -458.33 9.2 -9.65 -0.98 0
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376726 134222751 1 O2F7H19C21 A2B7C19D21 -393.59 8.39 -9.77 -1.1 0
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376727 134222752 1 O2F8H20C27 A2B8C20D27 -397.28 9.82 -8.85 -1.02 0
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376728 134222753 1 O2F8H22C27 A2B8C22D27 -417.76 10.35 -9.57 -1.06 0
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376729 134222754 2 OF3C11H11 AB3C11D11 -355.07 8.38 -9.47 -0.99 0
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376730 134222755 1 O2F9H21C23 A2B9C21D23 -521.19 10.39 -9.91 -1.18 0
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376731 134222756 1 O2F5C21H21 A2B5C21D21 -300.57 7.22 -9.77 -0.63 0
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376732 134222757 1 O3F8H22C23 A3B8C22D23 -498.01 10.79 -9.89 -1.16 0
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376733 134222758 1 O2F7C23H23 A2B7C23D23 -411.97 7.87 -9.85 -1.0 0
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376734 134222759 2 OF3C11H11 AB3C11D11 -353.36 8.32 -9.75 -0.84 0
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376735 134222760 1 O2F7H21C22 A2B7C21D22 -399.32 8.69 -9.76 -1.1 0
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376736 134222762 1 O3F7C23H23 A3B7C23D23 -442.75 8.49 -9.58 -1.06 0
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376737 134222763 1 O3F8H20C23 A3B8C20D23 -493.44 9.78 -9.75 -1.2 0
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376738 134222764 1 ClO2F6H21C22 AB2C6D21E22 -367.24 8.52 -9.44 -1.1 0
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376739 134222765 1 O2F5H19C21 A2B5C19D21 -282.7 5.03 -9.73 -0.75 0
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376740 134222766 1 O2F9H19C23 A2B9C19D23 -501.46 9.83 -9.95 -1.38 0
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376741 134222767 1 O2F7H19C22 A2B7C19D22 -376.56 5.69 -9.79 -1.25 0