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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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120661 50739392 1 ON4H20C22 AB4C20D22 56.14 4.18 -8.46 -0.81 0
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120662 50739445 1 NO4C14H17 AB4C14D17 -147.46 2.48 -10.39 -0.15 0
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120663 50739530 1 N2S2O4H18C23 A2B2C4D18E23 -63.44 8.55 -8.94 -1.68 0
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120664 50739749 1 O2S2N4H16C19 A2B2C4D16E19 46.57 4.28 -8.26 -1.21 0
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120665 50739774 1 ClO2S2N3H14C17 AB2C2D3E14F17 22.99 8.97 -8.12 -1.96 0
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120666 50739786 1 SN3O5C19H23 AB3C5D19E23 -152.43 5.73 -8.74 -1.07 0
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120667 50739896 1 ClOS2N3H10C18 ABC2D3E10F18 89.36 4.8 -9.09 -2.12 0
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120668 50739940 1 S2N3O3H19C22 A2B3C3D19E22 11.14 2.29 -8.28 -1.66 0
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120669 50739941 1 O2S2N4C19H20 A2B2C4D19E20 20.07 3.54 -8.78 -1.76 0
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120670 50739942 1 O2S2N5H11C18 A2B2C5D11E18 84.0 6.9 -8.8 -2.35 0
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120671 50739974 1 O2N3H9C11 A2B3C9D11 21.19 0.72 -9.4 -1.35 0
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120672 50739975 1 O2N3H9C11 A2B3C9D11 18.95 2.57 -9.74 -1.39 0
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120673 50739976 1 N2O2C9H12 A2B2C9D12 -34.23 4.76 -9.51 -0.95 0
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120674 50739977 1 ClN2O2H13C14 AB2C2D13E14 -9.54 2.96 -9.59 -1.12 0
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120675 50739978 1 FN2O2H13C14 AB2C2D13E14 -47.81 3.42 -9.6 -1.15 0
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120676 50739979 1 O2S2N4H8C9 A2B2C4D8E9 41.14 1.51 -8.57 -1.69 0
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120677 50739980 1 O2S2N4C11H12 A2B2C4D11E12 40.24 4.23 -8.98 -1.4 0
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120678 50739981 1 SO3N4C10H10 AB3C4D10E10 5.22 6.23 -9.76 -1.31 0
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120679 50739982 1 SO3N4C12H12 AB3C4D12E12 -2.8 5.1 -9.76 -1.26 0
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120680 50739983 2 OSN2H7C8 ABC2D7E8 66.18 4.7 -8.9 -1.42 0
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120681 50739984 1 N2O2C15H16 A2B2C15D16 -6.32 6.67 -9.28 -1.25 0
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120682 50739985 2 NOH8C9 ABC8D9 16.11 4.23 -8.97 -0.93 0
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120683 50739986 1 O2N3H11C12 A2B3C11D12 16.99 2.22 -9.63 -1.06 0
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120684 50739990 1 N2O3C10H12 A2B3C10D12 -56.14 2.82 -9.53 -1.04 0
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120685 50740055 1 OCl2N4H16C21 AB2C4D16E21 46.58 5.46 -8.56 -0.87 0
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120686 50740057 1 BrON3H18C22 ABC3D18E22 55.1 5.11 -8.6 -0.87 0
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120687 50740066 1 FON3H18C22 ABC3D18E22 7.21 4.47 -8.71 -0.76 0
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120688 50740169 1 BrClSN2O3H18C21 ABCD2E3F18G21 -59.86 5.38 -8.85 -1.3 0
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120689 50740210 1 ClS2O3N4H15C17 AB2C3D4E15F17 -23.42 5.62 -9.76 -1.39 0
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120690 50740211 1 ClSN2O4H17C22 ABC2D4E17F22 -78.14 2.87 -8.9 -1.23 0
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120691 50740212 1 S2N3O4C23H25 A2B3C4D23E25 -86.63 2.2 -8.59 -0.56 0
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120692 50740223 1 ClS2O3N4C20H21 AB2C3D4E20F21 -48.24 6.3 -9.62 -0.98 0
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120693 50740303 1 ClSN2O3C16H17 ABC2D3E16F17 -95.48 2.52 -8.64 -1.17 0
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120694 50740420 1 BrSN3O5H20C22 ABC3D5E20F22 -59.26 6.39 -9.63 -1.42 0
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120695 50740421 1 BrClSN2O3H18C21 ABCD2E3F18G21 -57.13 3.62 -8.84 -1.35 0
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120696 50740422 1 BrSN2O3H21C22 ABC2D3E21F22 -53.24 6.65 -8.91 -0.84 0
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120697 50740464 1 BrSN2O4C14H19 ABC2D4E14F19 -142.99 5.49 -9.28 -1.17 0
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120698 50740574 3 NOH7C8 ABC7D8 -48.44 2.65 -8.73 -1.25 0
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120699 50740599 1 N3O3H21C23 A3B3C21D23 -40.31 4.07 -9.21 -0.37 0
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120700 50740698 1 ClSO3N4H25C28 ABC3D4E25F28 15.5 9.34 -8.48 -1.41 0
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120701 50740699 1 SN3O3H21C26 AB3C3D21E26 28.58 6.25 -8.68 -1.01 0
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120702 50740712 1 FSO2N3H18C25 ABC2D3E18F25 22.03 5.99 -9.08 -1.07 0
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120703 50740733 1 ClOSN3H20C26 ABCD3E20F26 89.65 9.51 -8.89 -1.41 0
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120704 50740765 1 SO3N4H26C28 AB3C4D26E28 21.93 8.46 -8.04 -1.12 0
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120705 50740766 1 SO3N4C30H30 AB3C4D30E30 13.05 10.96 -8.11 -1.1 0
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120706 50740787 1 O2S2N3H17C23 A2B2C3D17E23 68.76 7.81 -8.7 -1.47 0
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120707 50740788 1 ClSO2N3H18C25 ABC2D3E18F25 57.63 5.64 -8.72 -1.6 0
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120708 50740806 1 ClOSN4H17C24 ABCD4E17F24 109.9 9.94 -9.14 -1.55 0
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120709 50740914 1 BrSO2N4H25C28 ABC2D4E25F28 73.54 6.11 -8.23 -0.97 0
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120710 50740915 1 SO2N4H28C29 AB2C4D28E29 62.08 6.7 -8.18 -0.86 0
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120711 50741122 1 ClO2S3N5H16C21 AB2C3D5E16F21 50.74 10.81 -8.56 -2.01 0
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120712 50741405 1 ClSO3N4H13C19 ABC3D4E13F19 -22.81 8.88 -8.84 -1.91 0
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120713 50741659 1 N2O3C28H28 A2B3C28D28 -71.28 2.99 -8.92 -0.82 0
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120714 50741698 1 BrNO2H12C17 ABC2D12E17 -5.23 2.47 -9.16 -1.36 0
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120715 50741911 1 OS2N4C7H8 AB2C4D7E8 4.82 6.29 -8.89 -0.96 0
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120716 50741971 1 OSN3C10H11 ABC3D10E11 -8.78 3.28 -9.45 -0.66 0
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120717 50742047 1 S2N4C11H14 A2B4C11D14 64.92 6.3 -8.74 -1.09 0
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120718 50742183 1 O2N4H34C43 A2B4C34D43 101.5 6.75 -8.46 -1.0 0
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120719 50742184 1 O5C11H16 A5B11C16 -182.4 2.31 -10.13 0.52 0
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120720 50742185 1 O5C16H20 A5B16C20 -190.33 2.77 -9.68 0.0 0
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120721 50742186 2 NOH8C9 ABC8D9 9.56 5.48 -9.62 -0.35 0
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120722 50742187 1 O5C11H18 A5B11C18 -217.54 3.23 -10.06 0.85 0
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120723 50742188 1 OSN2C25H30 ABC2D25E30 38.1 17.29 -7.8 -1.69 1
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120724 50742189 1 NOC24H30 ABC24D30 -1.2 4.21 0.0 0.0 0
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120725 50742267 1 ClFN3O3C23H25 ABC3D3E23F25 -107.83 7.24 -8.67 -1.04 0
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120726 50742268 1 NO4C32H47 AB4C32D47 -179.93 7.1 -8.45 -1.24 0
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120727 50742269 1 NO3C31H45 AB3C31D45 -126.67 5.15 -8.59 -1.15 0
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120728 50742325 1 ClFNOC16H19 ABCDE16F19 -91.17 4.19 -8.95 -0.26 0
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120729 50742326 1 ClNF2C15H16 ABC2D15E16 -94.92 2.07 -9.47 -0.29 0
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120730 50742327 1 ClFNC15H17 ABCD15E17 -44.64 1.89 -9.17 -0.38 0
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120732 50742442 1 N2O3C13H14 A2B3C13D14 -104.61 5.36 -9.16 -1.2 0
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120733 50742486 1 SO2N3C16H21 AB2C3D16E21 -24.05 8.36 -9.16 -0.98 0
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120734 50742487 1 FSO2N3C15H18 ABC2D3E15F18 -61.31 7.17 -9.5 -1.19 0
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120735 50742488 1 SO2N3C18H25 AB2C3D18E25 -39.6 6.78 -9.25 -0.92 0
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120736 50742541 1 N3C15H25 A3B15C25 8.14 2.02 -8.48 0.43 0
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120737 50742619 1 SN4O5C21H24 AB4C5D21E24 -125.34 13.25 -8.68 -1.43 0
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120738 50742711 1 N2O5H14C18 A2B5C14D18 -147.46 4.51 -9.22 -1.3 0
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120739 50742826 1 N4O4C23H26 A4B4C23D26 -141.27 4.15 -9.52 -1.01 0
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120740 50742827 1 N4O4C27H30 A4B4C27D30 -134.27 3.61 -9.29 -1.07 0
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120741 50742837 1 SN4O6C28H30 AB4C6D28E30 -184.58 5.31 -8.87 -0.95 0
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120742 50742896 1 N2O6H24C27 A2B6C24D27 -132.51 6.66 -8.8 -0.8 0
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120743 50742897 1 N4O6C27H32 A4B6C27D32 -199.72 2.26 -8.85 -0.87 0
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120744 50742898 1 FO2N3H14C17 AB2C3D14E17 -25.21 5.75 -9.6 -0.96 0
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120745 50742899 1 O2N3C19H19 A2B3C19D19 2.84 4.3 -8.98 -0.85 0
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120746 50742900 1 FO2N3H14C17 AB2C3D14E17 -23.69 5.27 -9.75 -1.01 0
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120747 50742901 1 O2F3N3H14C18 A2B3C3D14E18 -138.89 4.96 -9.8 -1.07 0
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120748 50742902 1 O3N4C24H24 A3B4C24D24 -28.1 3.31 -8.6 -0.91 0
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120749 50742930 2 N2O2H14C15 A2B2C14D15 -35.17 4.77 -8.53 -0.96 0
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120750 50743124 1 SO2N5C17H21 AB2C5D17E21 -28.67 3.27 -8.93 -1.61 0
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120751 50743213 1 SN3O3C17H19 AB3C3D17E19 -75.93 6.71 -9.06 -1.54 0
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120752 50743486 1 O2N4H12C13 A2B4C12D13 17.56 2.61 -8.99 -0.97 0
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120753 50743515 1 SO4N5H23C24 AB4C5D23E24 -38.4 10.96 -8.85 -1.45 0
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120754 50743697 1 NO2Cl3H16C23 AB2C3D16E23 -15.15 2.35 -9.39 -1.04 0
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120755 50743698 1 FNO3H20C24 ABC3D20E24 -74.65 7.09 -8.93 -0.7 0
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120756 50743699 1 FNO2H20C24 ABC2D20E24 -43.28 5.48 -9.49 -0.32 0
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120757 50743700 1 ClFNO2H17C23 ABCD2E17F23 -42.18 3.27 -9.24 -0.91 0
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120758 50743701 1 BrClNO2H17C23 ABCD2E17F23 6.76 2.08 -9.31 -0.96 0
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120759 50743702 1 ClFNO2H15C22 ABCD2E15F22 -41.19 3.1 -8.97 -1.15 0
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120760 50743703 1 NF2O4H21C25 AB2C4D21E25 -173.62 4.14 -8.97 -0.71 0
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120761 50743704 1 BrNO5H24C26 ABC5D24E26 -104.3 2.65 -8.67 -0.31 0