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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407257 135079679 1 SSeN2O2C14H18 ABC2D2E14F18 -35.68 8.77 -8.31 -0.2 0
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407258 135079680 1 NH21C23 AB21C23 97.62 1.81 -8.32 -0.51 0
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407259 135079681 2 NO3H8C12 AB3C8D12 14.77 6.0 -9.43 -1.56 0
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407260 135079682 1 N2O3C16H20 A2B3C16D20 -107.06 4.48 -8.88 -1.02 0
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407261 135079683 1 N2O2C17H18 A2B2C17D18 20.78 3.44 -8.79 -0.21 0
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407262 135079687 1 OSN2C14H14 ABC2D14E14 66.04 2.96 -9.1 -0.69 0
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407263 135079691 1 NO2C24H25 AB2C24D25 11.78 3.7 -8.99 -0.55 0
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407264 135079692 1 ClNO3H20C23 ABC3D20E23 -5.95 3.77 -8.94 -1.19 0
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407265 135079697 1 NSO2C14H17 ABC2D14E17 -4.07 5.02 -9.56 -0.55 0
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407266 135079698 1 BrN2H15C16 AB2C15D16 88.43 2.74 -8.31 -0.57 0
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407267 135079703 1 BrON2C17H17 ABC2D17E17 50.49 4.71 -8.2 -0.41 0
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407268 135079704 1 OPF6H11C19 ABC6D11E19 -234.79 4.03 -10.34 -1.37 0
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407269 135079714 1 NSiO5C31H41 ABC5D31E41 -183.44 4.38 -8.39 -0.27 0
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407270 135079715 1 BrNSO4H18C21 ABCD4E18F21 -82.59 7.41 -9.32 -0.76 0
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407271 135079720 1 PO5H19C21 AB5C19D21 -170.95 2.09 -8.75 -0.6 0
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407272 135079721 1 NO3C13H13 AB3C13D13 -70.78 7.98 -10.02 -0.8 0
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407273 135079723 1 NO3H17C18 AB3C17D18 -72.77 3.04 -9.49 -0.96 0
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407274 135079725 1 SN2O2C6H10 AB2C2D6E10 -36.45 0.57 -8.92 -0.42 0
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407275 135079729 1 SO2C19H20 AB2C19D20 -21.89 5.69 -9.06 -0.45 0
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407276 135079731 1 NOC14H17 ABC14D17 -11.98 2.3 -9.8 -0.92 0
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407278 135079733 1 NOF3H10C15 ABC3D10E15 -122.92 1.4 -10.01 -1.51 0
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407279 135079735 1 BSiO2C21H31 ABC2D21E31 -94.43 1.71 -8.61 -0.14 0
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407280 135079739 1 NO6C14H19 AB6C14D19 -263.0 5.53 -10.13 -1.35 1
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407281 135079743 1 SN2O3C17H23 AB2C3D17E23 -64.54 5.42 0.0 0.0 0
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407282 135079746 1 SiO2C22H40 AB2C22D40 -175.5 3.09 -8.4 0.8 0
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407283 135079748 1 OSiC17H28 ABC17D28 -93.88 0.92 -9.17 0.32 0
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407284 135079749 1 SN2O3C20H24 AB2C3D20E24 -61.98 6.34 -9.43 -0.73 1
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407285 135079750 1 SN2O3C20H25 AB2C3D20E25 -75.7 5.4 0.0 0.0 0
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407286 135079751 1 O4H24C25 A4B24C25 -50.77 1.11 -9.9 -0.5 0
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407287 135079752 1 NSO2C19H25 ABC2D19E25 -16.04 4.74 -9.11 -0.4 0
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407288 135079753 1 SnO2C18H36 AB2C18D36 -113.92 2.45 -9.47 0.9 0
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407289 135079754 1 AuPC22H26 ABC22D26 130.19 3.43 -8.27 -0.62 0
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407291 135079756 1 NaSN2O3C12H15 ABC2D3E12F15 -163.54 9.42 -8.63 -0.25 0
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407292 135079757 1 FOSN3H8C10 ABCD3E8F10 -16.23 3.84 -9.13 -1.19 0
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407293 135079758 1 ClOSN3H8C10 ABCD3E8F10 21.88 3.78 -9.09 -1.12 0
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407294 135079759 1 S2F3O3N4H9C11 A2B3C3D4E9F11 -202.31 5.12 -9.41 -1.49 0
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407295 135079760 1 S2F3N3O3H10C12 A2B3C3D3E10F12 -212.73 8.6 -9.52 -1.53 0
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407296 135079761 1 ClSO2N3H10C11 ABC2D3E10F11 -20.07 1.93 -9.08 -1.17 0
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407297 135079762 1 ClSN3O3H10C12 ABC3D3E10F12 -60.25 6.51 -9.17 -1.27 0
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407298 135079763 1 ClS2O3N4H9C10 AB2C3D4E9F10 -50.24 7.59 -9.37 -1.46 0
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407299 135079764 1 ON2Cl3H3C10 AB2C3D3E10 47.76 2.26 -9.75 -1.97 0
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407300 135079765 1 OSSiN2C20H32 ABCD2E20F32 -82.58 1.99 -8.75 -0.3 0
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407301 135079766 1 S2N3O6H57C63 A2B3C6D57E63 -60.22 2.39 -8.77 -0.47 0
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407302 135079767 2 PSN4O4C26H30 ABC4D4E26F30 -308.67 5.06 -8.69 -1.55 0
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407303 135079768 1 ClON2S2H11C17 ABC2D2E11F17 87.19 3.06 -8.99 -1.86 0
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407304 135079769 1 OCl3H9C15 AB3C9D15 7.47 2.31 -9.62 -0.86 0
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407305 135079770 1 NSeC4H5 ABC4D5 51.66 5.52 -8.41 -0.16 0
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407306 135079771 2 SF3O4H8C12 AB3C4D8E12 -528.3 4.55 -8.69 -1.56 0
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407307 135079772 1 NO4C18H21 AB4C18D21 -142.48 6.86 -9.18 -0.7 0
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407308 135079775 1 NOSiF3C16H24 ABCD3E16F24 -234.83 4.25 -8.87 -0.87 0
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407309 135079776 1 NO2H15C16 AB2C15D16 18.89 5.27 -9.63 -0.95 0
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407310 135079777 1 NOC15H17 ABC15D17 24.79 2.02 -8.96 -0.11 0
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407311 135079778 1 NSO4H15C16 ABC4D15E16 -99.33 5.75 -10.12 -0.98 0
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407312 135079779 1 NSO2H13C17 ABC2D13E17 12.39 3.16 -9.0 -0.71 0
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407313 135079780 1 NO3C21H25 AB3C21D25 -102.1 4.57 -8.85 0.16 0
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407314 135079787 1 O5H14C16 A5B14C16 -128.08 3.66 -9.05 -0.9 0
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407315 135079804 1 SiO3C19H38 AB3C19D38 -232.94 0.99 -8.74 0.83 0
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407316 135079812 1 NSiO2C11H23 ABC2D11E23 -69.04 1.87 -9.11 -0.31 0
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407317 135079813 1 SiO2C21H26 AB2C21D26 -94.98 1.69 -8.37 0.01 0
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407318 135079814 4 OC3H4 AB3C4 -141.17 2.5 -9.46 0.24 0
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407319 135079815 1 OC12H16 AB12C16 -38.58 2.78 -9.45 0.25 0
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407320 135079816 1 NSO3C13H19 ABC3D13E19 -113.41 6.03 -9.62 -0.43 0
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407321 135079821 1 SN2O4C23H30 AB2C4D23E30 -133.44 4.41 -9.28 -0.67 0
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407322 135079824 1 LiNO3C21H28 ABC3D21E28 -147.86 7.89 -7.17 0.94 0
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407323 135079825 1 N3O3C22H23 A3B3C22D23 -53.36 7.99 -8.4 -0.51 0
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407324 135079826 1 N4O13C25H34 A4B13C25D34 -534.48 10.61 -10.14 -0.04 0
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407325 135079828 1 NSiO2C12H21 ABC2D12E21 -105.3 6.07 -9.22 0.24 0
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407326 135079829 1 NO5C16H17 AB5C16D17 -148.35 0.23 -8.43 -0.99 0
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407327 135079830 1 NSnO2C23H39 ABC2D23E39 -100.63 5.75 -9.11 0.02 0
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407328 135079831 1 SiO2C23H36 AB2C23D36 -133.07 2.66 -8.47 0.29 0
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407329 135079833 1 NSO2C19H27 ABC2D19E27 -71.75 5.93 -9.29 -0.18 0
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407330 135079834 1 NC18H27 AB18C27 3.73 1.83 -8.71 0.44 0
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407331 135079847 1 S2O3N5C17H25 A2B3C5D17E25 -53.6 2.58 -8.01 -1.13 0
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407332 135079853 1 SN2O2H24C26 AB2C2D24E26 33.85 3.08 -9.25 -0.92 0
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407333 135079863 1 SN3O4H9C18 AB3C4D9E18 16.28 5.92 -9.16 -1.9 0
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407334 135079866 1 BrNSO3C21H28 ABCD3E21F28 -100.26 7.57 -9.32 -1.17 0
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407335 135079868 1 SiN2O4C29H34 AB2C4D29E34 -78.65 4.01 -8.56 -1.44 0
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407336 135079883 1 O3C14H20 A3B14C20 -104.85 2.69 -8.44 0.64 0
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407337 135079884 1 BKF4H6C8 ABC4D6E8 -353.9 8.18 -9.49 -0.26 -1
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407338 135079885 1 BF4H6C8 AB4C6D8 -240.41 1.43 0.0 0.0 0
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407339 135079886 1 NOPF3H17C21 ABCD3E17F21 -159.27 2.48 -9.82 -0.78 0
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407340 135079887 1 ClO3C11H11 AB3C11D11 -103.13 2.05 -9.48 -0.72 0
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407341 135079888 1 NO3C19H21 AB3C19D21 -76.68 2.52 -8.66 -0.51 0
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407342 135079889 1 NO3H21C22 AB3C21D22 -50.57 4.18 -8.59 -0.78 0
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407343 135079890 1 ClSiO2C17H27 ABC2D17E27 -144.78 2.34 -9.04 -0.22 0
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407344 135079891 1 OSiC18H22 ABC18D22 -49.21 0.47 -8.8 -0.29 0
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407345 135079892 1 NSiO2C20H35 ABC2D20E35 -126.4 2.61 -8.47 0.32 0
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407346 135079893 1 NO4C15H15 AB4C15D15 -133.44 7.31 -9.74 -1.6 0
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407347 135079894 1 SN2O4C24H30 AB2C4D24E30 -129.41 4.97 -9.39 -0.73 0
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407348 135079895 1 ClNO3C11H16 ABC3D11E16 -130.32 3.59 -9.13 -0.78 0
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407349 135079896 1 O2N3H11C12 A2B3C11D12 -23.37 4.71 -9.64 -1.1 0
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407350 135079897 1 SSi2N5O6C29H47 AB2C5D6E29F47 -309.13 3.43 -8.59 -0.7 0
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407351 135079898 2 NF2H4C7 AB2C4D7 -81.1 0.04 -9.44 -0.87 0
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407352 135079899 1 O4C13H16 A4B13C16 -52.23 2.56 -9.86 -0.3 0
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407353 135079900 1 O8C25H34 A8B25C34 -297.13 3.49 -9.83 0.37 0
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407354 135079901 2 O4C15H18 A4B15C18 -263.74 3.02 -9.27 0.38 0
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407355 135079902 1 O4C25H26 A4B25C26 -81.94 1.95 -9.42 0.02 0
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407356 135079903 1 PN2O3C10H11 AB2C3D10E11 -114.46 1.89 -9.91 -1.26 0
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407357 135079906 1 OC23H28 AB23C28 9.46 2.1 -9.29 0.24 -2
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407359 135079908 1 OLi2N2C28H42 AB2C2D28E42 -70.25 9.36 -6.57 1.02 0