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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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32637 7847016 1 SN2O3C21H22 AB2C3D21E22 -72.34 2.73 -9.03 -0.59 0
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32638 7847017 1 SN2O3C20H20 AB2C3D20E20 -76.72 4.16 -8.66 -0.94 0
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32639 7847018 1 SN2F3O3H15C19 AB2C3D3E15F19 -227.31 6.26 -9.4 -1.04 0
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32640 7847021 1 N2S2O3H18C19 A2B2C3D18E19 -60.72 3.17 -8.91 -0.8 0
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32641 7847022 1 SN2O3C22H24 AB2C3D22E24 -86.61 4.51 -8.57 -0.89 0
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32642 7847023 1 SN2O4H18C20 AB2C4D18E20 -105.89 7.83 -9.24 -1.01 0
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32643 7847024 1 SN2O5H20C21 AB2C5D20E21 -155.82 1.92 -9.24 -0.87 0
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32644 7847025 1 NSO3H19C24 ABC3D19E24 -27.27 3.06 -9.15 -0.83 0
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32645 7847026 1 SN3O3C18H19 AB3C3D18E19 -70.04 4.88 -9.31 -0.93 0
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32646 7847027 1 SN3O4C21H21 AB3C4D21E21 -107.9 3.34 -9.0 -0.6 0
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32647 7847029 1 SN3O4C21H21 AB3C4D21E21 -108.88 4.91 -9.17 -0.73 0
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32648 7847032 1 SN2O4C18H22 AB2C4D18E22 -141.02 2.41 -9.13 -0.69 0
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32649 7847034 1 SN2O4C18H22 AB2C4D18E22 -142.93 2.7 -9.18 -0.78 0
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32650 7847035 1 BrNSO3H14C18 ABCD3E14F18 -48.18 0.76 -9.16 -1.01 0
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32651 7847036 1 N2S2O3H18C19 A2B2C3D18E19 -62.91 4.44 -8.71 -0.98 0
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32652 7847037 1 NSO2H19C23 ABC2D19E23 -0.81 2.3 -9.16 -0.79 0
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32653 7847038 1 ClSN2O3H19C20 ABC2D3E19F20 -83.18 4.57 -9.35 -0.93 0
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32654 7847039 1 ClSN2O3H19C20 ABC2D3E19F20 -82.95 3.22 -9.3 -0.92 0
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32655 7847040 1 SN2O3C24H28 AB2C3D24E28 -98.46 4.19 -9.18 -0.88 0
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32656 7847041 1 SN2O3C24H28 AB2C3D24E28 -96.99 4.02 -9.13 -0.84 0
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32657 7847042 1 ClSN2O3H19C20 ABC2D3E19F20 -81.85 4.74 -9.33 -0.95 0
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32658 7847043 1 ClSN2O3H19C20 ABC2D3E19F20 -80.68 4.15 -9.24 -0.85 0
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32659 7847044 1 ClSN2O3H19C20 ABC2D3E19F20 -82.4 5.37 -9.35 -0.96 0
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32660 7847045 1 ClSN2O3H19C20 ABC2D3E19F20 -83.27 3.91 -9.34 -0.96 0
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32661 7847050 1 ClFN2O3H18C21 ABC2D3E18F21 -119.37 3.04 -9.28 -1.35 0
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32662 7847051 1 ClN2O3H21C22 AB2C3D21E22 -85.61 5.84 -9.19 -1.24 0
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32663 7847054 1 ClN2O3H21C22 AB2C3D21E22 -86.45 5.86 -8.87 -1.34 0
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32664 7847056 1 NO3C25H27 AB3C25D27 -80.94 4.22 -9.54 -1.14 0
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32665 7847057 1 NO3C25H27 AB3C25D27 -80.34 5.67 -9.19 -0.78 0
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32666 7847058 1 NO3C25H27 AB3C25D27 -80.24 5.26 -9.27 -0.8 0
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32667 7847059 1 ClNO3H20C21 ABC3D20E21 -73.36 3.03 -9.02 -1.06 0
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32668 7847063 1 NO4C22H23 AB4C22D23 -104.53 1.81 -8.39 -1.03 0
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32669 7847064 1 N3O4H21C22 A3B4C21D22 -81.7 1.85 -9.25 -0.96 0
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32670 7847065 1 NO4C23H23 AB4C23D23 -105.9 5.55 -9.23 -1.06 0
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32671 7847067 1 N2O3C25H28 A2B3C25D28 -88.54 5.17 -9.24 -0.78 0
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32672 7847068 1 N2O3C25H28 A2B3C25D28 -87.2 4.38 -9.22 -0.9 0
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32673 7847070 1 ClNO3H18C21 ABC3D18E21 -60.23 5.56 -9.24 -0.91 0
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32674 7847073 1 ClN2O3C23H23 AB2C3D23E23 -93.34 1.75 -9.11 -1.29 0
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32675 7847077 1 NO3H23C28 AB3C23D28 -33.52 5.09 -9.14 -0.9 0
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32676 7847091 1 N2O3C25H26 A2B3C25D26 -77.76 2.2 -9.41 -0.99 0
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32677 7847093 1 NO4H23C26 AB4C23D26 -102.62 7.55 -9.16 -1.17 0
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32678 7847111 1 N2O3C23H30 A2B3C23D30 -122.41 4.54 -9.22 -0.77 0
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32679 7847112 1 N2O3C23H30 A2B3C23D30 -125.36 5.06 -9.11 -0.8 0
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32680 7847116 1 N2O3C26H28 A2B3C26D28 -91.76 4.01 -9.42 -1.1 0
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32681 7847120 1 NO4H19C21 AB4C19D21 -92.78 2.37 -8.94 -0.93 0
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32682 7847124 1 NO2C22H23 AB2C22D23 -46.84 1.77 -9.04 -0.93 0
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32683 7847126 1 NO4C23H25 AB4C23D25 -114.63 4.53 -8.41 -0.83 0
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32684 7847136 1 ClFN2O3H18C21 ABC2D3E18F21 -123.04 5.01 -9.26 -1.4 0
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32685 7847140 1 ClN3O3H18C22 AB3C3D18E22 -44.96 0.62 -9.61 -1.3 0
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32686 7847147 1 N2O3C23H30 A2B3C23D30 -126.89 2.95 -9.52 -1.11 0
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32687 7847152 1 Cl2N2O3H18C21 A2B2C3D18E21 -83.48 2.03 -9.28 -1.0 0
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32688 7847157 1 N2O3C24H26 A2B3C24D26 -58.22 5.57 -8.76 -0.84 0
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32689 7847158 1 NO3C25H27 AB3C25D27 -80.76 5.42 -9.18 -0.85 0
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32690 7847161 1 N2O3C25H32 A2B3C25D32 -117.88 4.95 -9.25 -0.86 0
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32691 7847166 1 ClNO2H20C21 ABC2D20E21 -44.42 1.8 -9.4 -0.97 0
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32692 7847169 1 NO4C24H25 AB4C24D25 -113.56 5.85 -9.26 -1.03 0
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32693 7847174 1 SN2O3H22C24 AB2C3D22E24 -31.89 3.5 -8.82 -0.98 0
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32694 7847177 3 NOC8H9 ABC8D9 -64.49 6.44 -9.1 -1.01 0
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32695 7847180 1 N3O3C23H25 A3B3C23D25 -61.56 4.17 -8.98 -0.99 0
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32696 7847183 3 NOC8H9 ABC8D9 -65.67 4.32 -9.0 -0.94 0
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32697 7847184 3 NOC8H9 ABC8D9 -65.38 5.22 -8.96 -1.0 0
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32698 7847191 1 N3O3C25H27 A3B3C25D27 -62.43 6.34 -9.1 -0.95 0
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32699 7847196 1 O2N3H17C20 A2B3C17D20 28.57 4.45 -8.97 -0.95 0
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32700 7847214 1 NCl2O4H15C17 AB2C4D15E17 -130.67 6.95 -9.21 -0.5 0
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32701 7847216 1 ClNO4C19H20 ABC4D19E20 -135.3 2.66 -8.68 -0.46 0
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32702 7847217 1 ClNO6C19H20 ABC6D19E20 -220.62 5.48 -9.09 -0.5 0
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32703 7847218 1 ClNO6H16C18 ABC6D16E18 -190.14 4.61 -8.44 -0.46 0
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32704 7847225 1 ClNO4H18C22 ABC4D18E22 -93.12 6.95 -8.85 -0.66 0
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32705 7847236 1 ClNO4H18C19 ABC4D18E19 -130.37 3.19 -8.65 -0.5 0
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32706 7847237 1 ClN2O4H19C20 AB2C4D19E20 -92.49 8.88 -9.03 -0.41 0
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32707 7847239 1 ClNO4C15H20 ABC4D15E20 -170.93 0.75 -9.29 -0.4 0
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32708 7847240 1 ClNO4C15H20 ABC4D15E20 -170.0 2.1 -9.28 -0.38 0
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32709 7847255 1 ClSN2O6C15H15 ABC2D6E15F15 -223.17 3.92 -9.25 -0.78 0
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32710 7847256 1 ClNO4C22H28 ABC4D22E28 -182.36 3.28 -9.25 -0.33 0
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32711 7847259 1 Cl2N2O5H14C17 A2B2C5D14E17 -139.67 4.73 -9.32 -0.91 0
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32712 7847262 1 ClNO5C21H22 ABC5D21E22 -175.06 8.52 -8.9 -0.91 0
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32713 7847270 1 ClFNO4H15C17 ABCD4E15F17 -170.52 2.58 -9.04 -0.42 0
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32714 7847273 1 ClNO4H20C23 ABC4D20E23 -98.14 6.36 -9.03 -0.37 0
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32715 7847296 1 ClNO4H18C19 ABC4D18E19 -120.41 5.06 -8.79 -0.36 0
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32716 7847297 1 ClNO4H18C19 ABC4D18E19 -120.06 3.38 -8.65 -0.4 0
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32717 7847312 1 ClNO4C21H22 ABC4D21E22 -137.62 3.39 -9.22 -0.38 0
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32718 7847315 1 ClN2O6C17H19 AB2C6D17E19 -239.49 3.3 -9.23 -0.75 0
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32719 7847322 1 ClNO4C18H18 ABC4D18E18 -133.48 4.67 -8.78 -0.69 0
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32720 7847327 1 BrClNO4H15C17 ABCD4E15F17 -120.63 3.45 -9.08 -0.43 0
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32721 7847329 1 ClNF2O4H12C16 ABC2D4E12F16 -204.66 4.97 -9.32 -0.71 0
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32722 7847350 1 ClNO4C17H22 ABC4D17E22 -170.05 0.84 -9.31 -0.41 0
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32723 7847351 1 ClNF3O4H13C17 ABC3D4E13F17 -275.86 3.16 -9.11 -0.9 1
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32724 7847367 1 NC10H14 AB10C14 53.1 5.43 0.0 0.0 1
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32725 7847372 1 FNO2C15H17 ABC2D15E17 -74.5 7.03 0.0 0.0 1
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32726 7847378 1 ClNC13H19 ABC13D19 9.06 6.9 0.0 0.0 0
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32727 7847397 1 NS2O3C22H29 AB2C3D22E29 -117.55 5.17 -8.44 0.07 0
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32728 7847418 1 N2S2O3C18H22 A2B2C3D18E22 -94.55 4.05 -8.88 -0.83 0
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32729 7847425 1 NSO2C20H25 ABC2D20E25 -62.53 5.39 -8.4 -0.38 0
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32730 7847432 1 N2S2O3C19H24 A2B2C3D19E24 -101.61 10.25 -9.35 -0.79 0
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32731 7847444 1 SN2O4C17H18 AB2C4D17E18 -138.57 8.39 -9.12 -1.25 0
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32732 7847455 1 NSCl2O3H15C16 ABC2D3E15F16 -113.69 6.35 -8.95 -1.2 0
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32733 7847498 1 SN2O4C19H22 AB2C4D19E22 -137.25 4.9 -9.0 -1.19 0
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32734 7847500 1 SN2O4C21H26 AB2C4D21E26 -156.74 6.51 -8.94 -0.96 0
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32735 7847544 1 BrN2O3C19H21 AB2C3D19E21 -81.1 5.49 -8.82 -0.06 0
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32736 7847547 1 SN2O6C17H24 AB2C6D17E24 -239.76 7.27 -9.87 -0.66 0