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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46274 10523649 1 O2N3C23H27 A2B3C23D27 -4.44 2.75 -8.37 -0.21 0
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46275 10523657 1 N3S3H11C19 A3B3C11D19 142.44 3.64 -8.48 -1.55 0
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46276 10523670 2 BrO2H5C6 AB2C5D6 -98.87 5.19 -8.7 -1.21 1
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46277 10523676 1 OP2C11H23 AB2C11D23 -82.41 3.19 0.0 0.0 0
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46278 10523680 1 OPN2F6C14H21 ABC2D6E14F21 -461.17 12.1 -8.8 -0.87 0
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46279 10523683 1 N2O8C17H18 A2B8C17D18 -293.54 2.12 -8.55 -1.05 0
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46280 10523690 1 N2O5H18C21 A2B5C18D21 -87.73 5.97 -9.3 -0.96 0
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46281 10523700 1 N2O6C19H26 A2B6C19D26 -187.72 2.41 -9.95 -0.82 0
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46282 10523711 2 ON2C11H13 AB2C11D13 -26.43 2.66 -8.38 -1.08 0
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46283 10523725 1 SiO2C23H42 AB2C23D42 -199.38 4.27 -9.4 0.79 0
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46284 10523728 1 ClN4O5H15C16 AB4C5D15E16 -58.69 1.88 -9.48 -1.82 0
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46285 10523730 1 ClSN2O5H11C16 ABC2D5E11F16 -142.0 5.3 -9.34 -1.59 0
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46286 10523731 1 ClN2O2F3C17H22 AB2C2D3E17F22 -194.51 4.85 -9.33 -0.55 0
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46287 10523732 1 N2O2F3C17H21 A2B2C3D17E21 -158.56 5.14 -8.77 -0.2 0
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46288 10523739 1 BrN2O4H15C16 AB2C4D15E16 -128.6 3.6 -8.51 -1.24 0
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46289 10523740 1 NO3F6H11C16 AB3C6D11E16 -380.73 3.24 -9.55 -1.63 0
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46290 10523744 1 PN3O6C16H18 AB3C6D16E18 -265.63 4.23 -9.66 -0.43 0
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46291 10523747 1 O2F3N5H16C17 A2B3C5D16E17 -110.66 4.61 -9.07 -1.52 0
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46292 10523755 1 NS2O6H13C16 AB2C6D13E16 -188.25 3.38 -9.34 -1.68 0
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46293 10523767 1 N3O3C22H25 A3B3C22D25 -91.73 5.19 -8.46 -0.15 0
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46294 10523769 1 N5H21C24 A5B21C24 147.31 5.31 -9.18 -0.41 0
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46295 10523770 1 NO5C21H33 AB5C21D33 -134.56 4.16 -8.57 -1.27 0
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46296 10523780 1 O2N3C23H29 A2B3C23D29 -76.77 6.37 -8.27 -0.36 0
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46297 10523781 1 NO2S2H17C21 AB2C2D17E21 -4.05 5.59 -7.67 -0.81 0
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46298 10523782 1 NSO4C20H29 ABC4D20E29 -110.25 4.02 -8.45 0.01 0
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46299 10523783 1 NSO4C20H29 ABC4D20E29 -156.66 4.29 -8.62 -0.46 0
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46300 10523791 1 ClNOC23H38 ABCD23E38 -116.88 7.2 -8.72 0.18 0
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46301 10523794 1 BrNO4C17H18 ABC4D17E18 -112.22 3.27 -9.4 -0.71 0
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46302 10523795 1 IN2C17H21 AB2C17D21 80.68 6.54 -7.21 -0.96 1
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46303 10523796 1 N2C17H21 A2B17C21 59.34 2.62 0.0 0.0 0
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46304 10523803 2 O3H10C11 A3B10C11 -188.08 4.52 -9.4 -1.66 0
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46305 10523808 4 NOC5H5 ABC5D5 -86.41 5.8 -8.48 -0.68 0
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46306 10523815 1 O7C20H28 A7B20C28 -317.28 2.68 -10.3 -1.03 0
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46307 10523817 1 O5C23H24 A5B23C24 -169.56 4.16 -8.82 -0.31 0
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46308 10523819 2 NO2C11H12 AB2C11D12 -117.92 7.68 -9.1 -0.92 0
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46309 10523823 2 NO2C11H12 AB2C11D12 -117.76 3.33 -9.63 -0.04 0
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46310 10523826 2 ON3C10H12 AB3C10D12 66.94 10.35 -8.81 -0.72 0
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46311 10523827 1 SO6C19H24 AB6C19D24 -219.47 6.12 -8.98 -0.64 0
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46312 10523828 1 FPN2O2S3C13H18 ABC2D2E3F13G18 -147.96 2.83 -8.86 -0.92 0
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46313 10523835 1 N2O3C23H28 A2B3C23D28 -75.34 3.37 -8.85 -0.43 0
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46314 10523845 1 OC28H28 AB28C28 27.72 3.55 -8.51 -0.47 0
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46315 10523854 1 HNSI2O2C4 ABCD2E2F4 60.63 4.36 -9.88 -2.09 0
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46317 10523869 1 NO10C15H27 AB10C15D27 -471.76 3.74 -9.91 0.91 0
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46318 10523871 1 NO6H19C21 AB6C19D21 -169.69 2.3 -8.4 -0.09 0
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46319 10523872 1 N3O7C17H23 A3B7C17D23 -308.45 4.71 -8.55 -0.08 0
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46320 10523876 1 N3O5H19C20 A3B5C19D20 -45.73 3.31 -9.55 -1.77 0
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46321 10523880 1 NSF3O4C16H22 ABC3D4E16F22 -306.58 3.36 -8.63 -1.57 0
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46322 10523882 1 NO5C22H23 AB5C22D23 -129.31 6.49 -8.28 -0.53 0
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46323 10523883 1 NO5C22H23 AB5C22D23 -133.51 2.61 -8.27 0.03 0
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46324 10523886 1 NO5C22H23 AB5C22D23 -142.22 4.48 -8.76 -0.07 0
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46325 10523890 1 N3O4C21H23 A3B4C21D23 -93.97 4.74 -9.2 -0.95 0
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46326 10523891 1 N3O4C21H23 A3B4C21D23 57.67 6.25 -8.42 -0.24 0
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46327 10523900 1 NO4C23H27 AB4C23D27 -50.85 4.25 -8.51 0.2 0
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46328 10523902 1 FSN3O3C18H24 ABC3D3E18F24 -144.01 6.78 -8.84 -0.3 0
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46329 10523908 1 N3O3C22H27 A3B3C22D27 -23.04 1.23 -8.86 -0.74 0
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46330 10523909 1 N5H23C24 A5B23C24 114.4 2.56 -8.7 -0.46 0
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46331 10523915 1 OSN3C22H27 ABC3D22E27 10.9 6.32 -8.42 0.04 0
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46332 10523918 1 NS2O3C19H27 AB2C3D19E27 -73.48 2.49 -8.48 -0.16 0
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46333 10523921 1 N2Cl3O5H11C13 A2B3C5D11E13 -180.36 4.47 -10.07 -1.42 0
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46334 10523922 1 NOC26H39 ABC26D39 -43.05 3.2 -8.47 -0.01 0
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46335 10523924 1 ClFN3O3C18H21 ABC3D3E18F21 -137.52 11.86 -9.03 -1.75 0
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46336 10523936 1 BrNO3H12C19 ABC3D12E19 13.91 4.6 -9.67 -1.64 0
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46337 10523940 1 BrFNOSC17H17 ABCDEF17G17 -45.79 3.29 -9.1 -0.96 0
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46338 10523941 1 PN2O7C16H19 AB2C7D16E19 -251.93 7.92 -9.2 -0.98 0
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46339 10523945 1 PSN2O8C12H19 ABC2D8E12F19 -401.28 1.65 -9.64 -0.88 0
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46340 10523962 1 O5C23H26 A5B23C26 -200.07 9.48 -9.06 -0.7 0
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46341 10523969 1 O3N4C21H26 A3B4C21D26 -77.21 5.88 -7.94 -0.32 0
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46342 10523970 1 ON4H22C24 AB4C22D24 70.9 0.69 -9.23 -0.86 0
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46343 10523971 1 ON4H22C24 AB4C22D24 63.41 4.77 -9.17 -0.8 0
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46344 10523975 1 SiN2O6C17H26 AB2C6D17E26 -316.95 5.26 -9.52 -0.62 0
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46345 10523976 2 O2C12H15 A2B12C15 -161.16 1.43 -9.39 0.17 0
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46346 10523977 1 ON2C26H26 AB2C26D26 50.62 2.65 -8.47 -0.16 0
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46347 10523981 1 SN2O2C22H26 AB2C2D22E26 -23.59 5.55 -9.01 -0.39 0
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46348 10523983 1 SiO6C19H30 AB6C19D30 -280.35 3.4 -8.31 -0.3 0
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46349 10523994 1 SiO2C24H34 AB2C24D34 -108.64 1.78 -8.69 0.03 0