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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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376614 134222635 1 O4H44C61 A4B44C61 108.31 2.24 -8.72 -0.48 0
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376615 134222636 1 SCl3C13H19 AB3C13D19 -32.44 5.31 -9.08 -2.07 0
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376616 134222637 1 NO6C17H23 AB6C17D23 -196.27 4.77 -9.66 -0.7 0
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376618 134222639 1 N5H29C43 A5B29C43 241.31 0.38 -9.02 -0.91 0
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376619 134222640 4 NH7C10 AB7C10 200.4 4.36 -8.87 -0.86 0
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376620 134222641 1 N3H19C30 A3B19C30 169.64 5.7 -8.91 -1.23 0
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376621 134222642 2 N3H17C28 A3B17C28 327.28 0.47 -8.95 -1.28 0
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376622 134222643 4 NH7C10 AB7C10 199.9 4.91 -8.77 -1.0 0
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376623 134222644 2 N2H14C23 A2B14C23 255.65 0.47 -8.78 -1.64 0
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376624 134222645 1 N3H11C18 A3B11C18 110.54 1.76 -8.81 -1.12 0
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376625 134222646 2 N2H15C23 A2B15C23 242.02 1.63 -9.05 -0.92 0
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376626 134222647 1 OPN3H28C38 ABC3D28E38 126.82 4.27 -8.94 -0.96 0
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376627 134222648 4 NH7C10 AB7C10 200.74 9.51 -8.73 -1.01 0
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376628 134222649 1 N3H35C54 A3B35C54 270.58 7.38 -8.42 -1.31 0
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376629 134222650 1 NO4C12H21 AB4C12D21 -208.89 3.96 -9.83 0.7 0
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376630 134222651 1 O2N3C24H27 A2B3C24D27 -43.99 5.23 -8.62 -0.46 0
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376631 134222652 1 FO2N3C26H28 AB2C3D26E28 -82.77 2.96 -8.61 -0.4 0
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376632 134222653 1 N3O3C29H33 A3B3C29D33 -58.36 6.19 -9.0 -0.74 0
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376633 134222654 1 FO3N4C32H37 AB3C4D32E37 -120.58 4.64 -9.02 -0.58 0
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376634 134222655 1 FO3N4C34H41 AB3C4D34E41 -137.99 9.42 -9.09 -0.79 0
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376636 134222657 1 FO3N4C32H37 AB3C4D32E37 -121.68 1.41 -9.04 -0.58 0
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376637 134222658 1 FSO2N4C30H35 ABC2D4E30F35 -74.48 8.1 -8.92 -0.77 0
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376638 134222659 1 SO3N4C29H36 AB3C4D29E36 -80.67 4.9 -8.66 -0.53 0
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376639 134222660 1 O3N5C30H35 A3B5C30D35 -49.1 0.61 -9.07 -0.55 0
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376640 134222661 1 FO2N4C33H39 AB2C4D33E39 -91.74 7.2 -8.87 -0.71 0
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376641 134222662 2 ON2C17H21 AB2C17D21 -46.76 3.9 -8.82 -0.67 0
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376642 134222663 1 N3O3C32H39 A3B3C32D39 -96.31 2.91 -8.68 -0.54 0
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376643 134222664 1 O2N3C34H41 A2B3C34D41 -34.37 3.8 -8.69 -0.5 0
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376644 134222665 1 O2N5C32H39 A2B5C32D39 -21.17 2.74 -8.96 -0.82 0
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376645 134222666 1 O2N4C31H36 A2B4C31D36 -10.2 3.88 -9.02 -0.83 0
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376646 134222667 1 O3N4C33H40 A3B4C33D40 -78.57 2.61 -8.73 -0.55 0
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376647 134222668 1 SO3N4C30H36 AB3C4D30E36 -55.57 1.61 -8.91 -0.91 0
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376648 134222669 1 O2N4C33H38 A2B4C33D38 13.99 2.11 -9.01 -0.83 0
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376649 134222670 1 O2N5C33H41 A2B5C33D41 -24.12 3.36 -9.05 -0.9 0
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376650 134222673 1 N4O5C27H44 A4B5C27D44 -243.13 8.13 -9.88 -0.11 0
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376651 134222674 1 N4O11C39H64 A4B11C39D64 -563.02 6.57 -9.46 -0.6 0
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376652 134222675 2 NH25C32 AB25C32 227.18 0.18 -7.74 -0.6 0
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376653 134222676 2 NC26H29 AB26C29 72.37 1.09 -7.67 -0.42 0
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376654 134222677 1 N2C53H60 A2B53C60 62.91 1.74 -7.7 -0.39 0
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376655 134222678 2 NH19C20 AB19C20 99.53 2.35 -7.85 -0.46 0
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376656 134222679 2 NSH19C29 ABC19D29 258.11 1.77 -7.92 -0.63 0
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376657 134222680 1 N2H36C39 A2B36C39 105.88 2.03 -7.88 -0.5 0
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376658 134222681 2 NC27H31 AB27C31 57.13 1.71 -7.72 -0.39 0
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376659 134222682 2 NSH21C30 ABC21D30 244.14 1.65 -8.02 -0.6 0
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376660 134222683 1 N2H68C71 A2B68C71 189.17 1.54 -7.77 -0.5 0
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376661 134222684 1 N2S2H40C59 A2B2C40D59 250.09 1.31 -8.02 -0.68 0
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376662 134222685 1 NSF2O2C12H13 ABC2D2E12F13 -146.52 6.63 -9.34 -0.67 0
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376663 134222686 1 NOSF2C12H17 ABCD2E12F17 -116.38 5.12 -8.78 0.08 0
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376664 134222687 1 NOSF2C8H9 ABCD2E8F9 -92.14 3.63 -9.5 -0.87 0
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376665 134222688 1 SF2N3C10H11 AB2C3D10E11 -18.45 9.69 -8.69 -0.31 0
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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