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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8643 79824 1 SO2C7H8 AB2C7D8 -61.95 1.94 -9.5 -0.76 0
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8644 79827 1 NO2C5H11 AB2C5D11 -90.39 2.98 -9.46 1.51 0
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8645 79828 2 CS2H3 AB2C3 -4.14 0.04 -8.67 -1.72 0
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8646 79833 1 NOC4H5 ABC4D5 12.48 3.33 -10.14 0.13 0
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8648 79854 1 ClSN2O4H5C7 ABC2D4E5F7 -119.36 6.17 -9.95 -1.44 0
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8649 79861 2 O3C5H9 A3B5C9 -157.23 3.59 -10.6 -0.59 0
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8650 79871 1 AsO3N6C9H11 AB3C6D9E11 -30.08 3.24 -8.96 -0.55 0
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8651 79882 1 NC5H13 AB5C13 -25.63 1.86 -9.21 3.54 0
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8652 79888 1 NO2C7H13 AB2C7D13 -99.88 2.33 -9.49 0.95 0
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8653 79891 1 SeC24H50 AB24C50 -113.33 1.21 -8.2 0.3 0
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8654 79908 1 NSO4H5C6 ABC4D5E6 -58.69 5.16 -10.14 -2.22 0
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8655 79926 1 OC8H16 AB8C16 -68.26 2.8 -9.31 1.46 0
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8656 79933 1 SN5O8H13C19 AB5C8D13E19 -85.81 2.95 -10.06 -2.43 0
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8657 80012 1 NC39H81 AB39C81 -177.24 1.29 -8.37 2.84 0
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8658 80094 1 NP2C5O6H15 AB2C5D6E15 -387.19 2.79 -9.35 0.84 0
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8659 80096 1 NP2O6C8H21 AB2C6D8E21 -402.37 2.32 -9.19 0.83 0
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8660 80097 1 NP2O6C9H23 AB2C6D9E23 -406.49 3.02 -9.32 0.85 0
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8661 80100 1 NP2O6C16H37 AB2C6D16E37 -442.44 2.05 -9.14 0.86 0
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8662 80104 1 NO2C16H25 AB2C16D25 -54.27 1.76 -8.27 0.32 0
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8663 80105 1 NO2C9H21 AB2C9D21 -114.73 1.3 -9.06 1.97 0
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8664 80108 1 OC15H22 AB15C22 -49.93 3.17 -9.95 -0.51 0
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8665 80113 1 O4H6C7 A4B6C7 -138.57 3.56 -10.3 -1.2 0
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8666 80119 2 NNaSO5H7C14 ABCD5E7F14 -410.26 3.89 -9.09 -2.03 0
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8667 80121 1 N5C10H19 A5B10C19 8.02 1.42 -9.6 0.03 0
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8668 80122 1 N2O2H14C19 A2B2C14D19 24.42 3.57 -9.08 -1.4 0
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8669 80123 2 NC5H5 AB5C5 53.25 2.84 -8.62 -0.16 0
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8670 80126 2 OC23H46 AB23C46 -296.05 1.73 -10.33 0.88 0
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8671 80131 1 O7C13H18 A7B13C18 -286.55 4.47 -8.84 -0.22 0
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8672 80144 1 NSC35H47 ABC35D47 -1.6 0.94 -7.9 -0.03 0
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8673 80147 1 NO2H3C6 AB2C3D6 4.09 4.51 -10.44 -1.56 0
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8674 80150 1 N5H7C8O8 A5B7C8D8 22.56 3.57 -11.46 -2.92 0
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8675 80154 1 Br2N2C11H20 A2B2C11D20 -4.12 8.48 -8.03 -0.43 0
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8676 80156 4 CNH3 ABC3 14.74 1.82 -8.9 2.3 0
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8677 80157 1 SN2Na2O6H8C13 AB2C2D6E8F13 -257.03 28.18 -8.08 -1.18 0
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8678 80158 1 SN2O6H10C13 AB2C6D10E13 -155.11 7.96 -9.9 -1.89 0
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8679 80163 1 BrO2N3C6H8 AB2C3D6E8 17.97 5.03 -10.3 -1.37 0
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8680 80167 2 O2C6H11 A2B6C11 -217.44 2.8 -10.95 0.47 0
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8681 80194 1 N2O5C11H14 A2B5C11D14 -45.46 6.85 -10.23 -1.65 0
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8682 80195 1 ClO2C8H13 AB2C8D13 -118.46 3.24 -11.11 -0.62 0
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8683 80216 1 N5C16H31 A5B16C31 -18.12 1.04 -9.62 0.05 0
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8684 80217 1 Cl2O3C6H8 A2B3C6D8 -148.41 3.52 -10.62 -0.88 0
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8685 80235 1 NPO2C19H33 ABC2D19E33 -53.84 21.24 0.0 0.0 1
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8686 80255 1 O4H10C13 A4B10C13 -98.6 4.28 -9.8 -0.66 0
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8687 80257 2 NO2C3H3 AB2C3D3 -153.67 4.76 -10.49 -1.64 0
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8688 80266 1 OC9H12 AB9C12 -42.65 0.48 -8.85 0.37 0
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8689 80332 1 N2S2O9H14C17 A2B2C9D14E17 -294.29 7.62 -9.62 -1.52 0
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8690 80362 1 PC21H21 AB21C21 38.63 2.9 -8.5 0.24 0
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8691 80364 2 NOC6H12 ABC6D12 -138.59 6.58 -10.44 1.07 0
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8692 80380 2 SN2O6H9C13 AB2C6D9E13 -308.58 3.1 -9.61 -2.0 0
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8693 80386 1 SiC2Cl4H4 AB2C4D4 -140.3 0.99 -10.69 -0.94 0
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8694 80387 1 N2O3C6H10 A2B3C6D10 -87.93 4.69 -9.55 0.17 0
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8695 80408 1 S2C5H6 A2B5C6 24.97 1.21 -9.07 -0.43 0
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8696 80409 1 ClSC7H7 ABC7D7 9.75 1.5 -9.12 -0.41 0
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8697 80410 1 ClN2O3C7H7 AB2C3D7E7 -29.85 7.91 -8.98 -1.22 0
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8700 80417 1 NSO4C12H13 ABC4D12E13 -127.11 9.67 -8.58 -1.0 0
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8701 80421 1 OC5H8 AB5C8 -7.42 2.75 -10.23 1.21 0
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8702 80422 1 Na2S2N5O7H21C32 A2B2C5D7E21F32 -145.78 63.67 -7.74 -2.76 0
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8703 80427 1 NO4H11C13 AB4C11D13 -119.71 3.06 -8.94 -0.81 0
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8704 80441 1 S3C7H16 A3B7C16 -12.34 1.32 -8.54 0.16 0
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8705 80448 1 AsO4C8H11 AB4C8D11 -126.3 4.17 -9.14 -0.08 0
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8706 80451 1 O3C12H14 A3B12C14 -113.79 1.98 -10.02 -0.58 0
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8707 80452 1 O3C8H10 A3B8C10 -103.15 2.14 -9.92 -0.51 0
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8708 80453 1 O2N3C5H7 A2B3C5D7 -84.34 4.05 -9.8 -0.58 0
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8709 80459 1 O2H12C13 A2B12C13 -29.65 1.78 -8.55 0.08 0
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8710 80483 1 N2S2O3C14H18 A2B2C3D14E18 -96.16 5.61 -8.89 -0.93 0
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8711 80484 1 OSN2H14C15 ABC2D14E15 18.31 3.06 -9.21 -0.7 0
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8712 80485 1 OSN3C16H17 ABC3D16E17 27.83 4.62 -8.37 -0.56 0
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8713 80518 1 PCl3O3C6H12 AB3C3D6E12 -228.61 3.15 -10.74 0.21 0
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8714 80520 1 ClOF3H4C7 ABC3D4E7 -192.17 3.06 -9.55 -1.05 0
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8715 80528 1 ClN2C5H5 AB2C5D5 25.86 4.11 -8.89 -0.41 0
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8716 80539 1 SN3O3H13C16 AB3C3D13E16 -12.01 5.56 -8.56 -1.54 0
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8717 80558 1 ON2C9H12 AB2C9D12 -29.2 4.81 -9.18 -0.03 0
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8718 80575 1 NaSN2O4C24H27 ABC2D4E24F27 -156.82 13.25 -8.25 -0.27 0
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8719 80584 2 OC6H9 AB6C9 -87.24 1.06 -9.32 0.4 0
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8720 80617 1 NO5C8H13 AB5C8D13 -219.42 2.82 -10.31 -0.07 0
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8721 80622 1 ON2C4H6 AB2C4D6 -18.67 2.39 -10.31 0.55 0
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8722 80623 1 SN2O2C9H14 AB2C2D9E14 -59.7 5.15 -9.1 -0.43 0
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8723 80666 2 SN2C3H7 AB2C3D7 26.66 3.48 -9.2 -0.22 0
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8724 80706 1 NSO5H11C12 ABC5D11E12 -178.4 9.81 -8.94 -1.21 0
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8725 80707 1 SN2O5H16C18 AB2C5D16E18 -154.87 9.81 -8.8 -1.02 0
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8726 80776 1 N3C15H17 A3B15C17 23.67 2.16 -7.29 0.29 0
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8727 80781 1 ON2C11H16 AB2C11D16 -43.71 5.26 -8.62 0.09 0
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8728 80785 1 ClNO3C8H8 ABC3D8E8 -33.29 6.57 -9.71 -1.29 0
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8729 80790 1 OC11H16 AB11C16 -43.95 1.71 -8.49 0.52 0
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8730 80824 1 SNa2N4O6H14C20 AB2C4D6E14F20 -154.54 59.17 -7.79 -2.57 0
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8731 80827 4 OH3C4 AB3C4 -84.04 2.77 -9.09 -1.42 0
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8732 80828 2 NOH5C7 ABC5D7 23.7 0.65 -7.82 -1.36 0
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8733 80834 2 NOH9C11 ABC9D11 -0.74 3.68 -7.76 -1.47 0
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8734 80837 2 NNaSO4H16C17 ABCD4E16F17 -424.02 6.65 -8.45 -1.39 0
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8735 80848 2 BrNOH4C7 ABCD4E7 -17.65 1.1 -8.27 -1.88 0
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8736 80849 1 NS2O8H11C12 AB2C8D11E12 -300.21 8.39 -9.5 -1.78 0
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8737 80850 1 ClSN2O4H11C13 ABC2D4E11F13 -33.92 4.31 -9.01 -1.93 0
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8738 80851 1 NO4H13C21 AB4C13D21 -76.88 4.6 -8.87 -1.96 0
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8739 80854 1 ClO2N3H16C23 AB2C3D16E23 42.42 5.79 -8.7 -1.78 0
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8740 80855 1 ClO2N3H16C23 AB2C3D16E23 41.63 4.46 -8.78 -1.76 0
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8741 80869 1 Cl2S2N3O9H17C24 A2B2C3D9E17F24 -248.91 9.04 -8.89 -1.8 0
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8742 80871 1 N5H21C30 A5B21C30 217.92 4.33 -8.2 -1.36 0
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8743 80876 1 CaSN2O6H12C21 ABC2D6E12F21 -187.75 6.89 -8.97 -1.88 0
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8744 80878 1 K2O5H10C20 A2B5C10D20 -190.65 17.66 -7.25 -0.76 0
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8745 80879 1 OF2H4C6 AB2C4D6 -109.33 3.79 -9.6 -0.43 0