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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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164261 74382626 2 FON2C9H13 ABC2D9E13 -175.47 9.03 -9.73 0.32 0
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164263 74382664 1 FO13N17C59H84 AB13C17D59E84 -578.2 4.93 -8.34 -0.56 0
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164265 74382670 2 O2C16H27 A2B16C27 -200.03 5.1 -8.63 -0.15 0
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164267 74382672 1 ClO3N4C27H37 AB3C4D27E37 -64.02 7.33 -8.67 -0.52 0
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164269 74382674 1 MnN4O8H54C56 AB4C8D54E56 30.06 3.56 0.0 0.0 3
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164270 74382675 1 MnN4O12C64H70 AB4C12D64E70 44.57 6.28 0.0 0.0 0
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164271 74382678 1 OSF3N4C21H23 ABC3D4E21F23 -133.35 6.07 -9.13 -0.88 0
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164272 74382680 1 BrOSF3N4C21H22 ABCD3E4F21G22 -127.54 5.58 -9.29 -0.87 0
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164273 74382681 1 ON5H27C29 AB5C27D29 96.95 3.5 -8.62 -0.83 0
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164274 74382682 1 SN3F4O4H19C25 AB3C4D4E19F25 -212.18 4.32 -8.96 -1.54 0
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164275 74382689 1 O2N3C19H27 A2B3C19D27 -51.7 6.89 -8.81 -0.06 0
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164276 74382690 2 NO8C29H45 AB8C29D45 -618.81 11.09 -8.51 0.08 0
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164277 74382695 1 O2N3C17H25 A2B3C17D25 -43.06 3.09 -9.97 0.48 0
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164278 74382697 1 N2O3C20H32 A2B3C20D32 -141.64 4.21 -8.41 -0.43 0
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164280 74382702 1 N2O3C21H36 A2B3C21D36 -154.22 5.72 -8.33 -0.07 0
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164281 74382703 1 FCl2N3O7C28H36 AB2C3D7E28F36 -348.22 5.87 -8.56 -0.35 0
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164282 74382707 1 ClO3N6C30H33 AB3C6D30E33 -30.87 1.13 -8.32 -0.68 0
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164283 74382710 1 ClOF2N2H13C18 ABC2D2E13F18 -53.17 4.86 -9.68 -1.02 0
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164284 74382711 1 OF2N2H16C19 AB2C2D16E19 -56.44 2.03 -9.68 -1.16 0
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164285 74382712 2 NOC10H10 ABC10D10 -9.67 3.81 -9.28 -0.99 0
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164286 74382713 1 N3O4H19C20 A3B4C19D20 -16.97 5.28 -9.7 -1.65 0
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164287 74382714 1 BrN2O2H19C20 AB2C2D19E20 -6.54 4.04 -9.42 -1.14 0
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164288 74382715 1 O2N4H12C13 A2B4C12D13 24.12 7.32 -9.15 -1.24 0
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164289 74382732 1 O2N5C22H29 A2B5C22D29 -21.06 0.89 -8.72 -0.48 0
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164291 74382768 1 N2O3C22H36 A2B3C22D36 -149.83 3.99 -8.47 -0.43 0
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164292 74382769 1 N2O3C22H30 A2B3C22D30 -96.15 5.77 -8.41 -0.37 0
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164293 74382774 1 SiF3N15O24C82H134 AB3C15D24E82F134 -1363.64 9.08 -9.48 -0.35 0
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164294 74382775 1 SiN15O22C80H133 AB15C22D80E133 -1119.64 7.33 -9.2 -0.2 0
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164295 74382779 1 ClO3N6C27H29 AB3C6D27E29 -40.75 6.84 -8.4 -0.67 0
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164296 74382781 1 N3O5H13C16 A3B5C13D16 -43.6 2.88 -9.32 -1.72 0
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164297 74382786 1 ON4H16C20 AB4C16D20 87.27 4.66 -9.49 -1.35 0
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164298 74382790 1 N3O7C31H39 A3B7C31D39 -259.87 2.85 -8.37 -0.4 0
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164300 74382792 1 ClN3O4C20H22 AB3C4D20E22 -121.54 6.44 -8.38 -0.27 0
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164301 74382793 1 Cl2N3O4C20H21 A2B3C4D20E21 -128.56 5.77 -8.31 -0.5 0
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164303 74382795 1 N4O5C26H28 A4B5C26D28 -132.8 7.41 -8.97 -2.38 0
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164304 74382796 1 ClON2C17H17 ABC2D17E17 11.42 2.44 -8.42 -0.41 0
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164305 74382797 1 ON2F3H15C17 AB2C3D15E17 -155.85 5.64 -9.07 -0.78 0
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164306 74382800 1 BrON2H15C16 ABC2D15E16 16.53 2.27 -8.68 -0.61 0
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164307 74382802 1 N2S2O6C27H38 A2B2C6D27E38 -199.92 2.71 -9.27 -0.76 0
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164308 74382804 1 SN2O3C25H40 AB2C3D25E40 -146.88 3.32 -8.7 -0.35 0
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164310 74382808 1 FPN5O12C20H25 ABC5D12E20F25 -556.72 4.69 -9.77 -0.55 0
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164311 74382819 1 OF3N5C20H22 AB3C5D20E22 -117.81 8.1 -9.23 -0.69 0
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164312 74382820 1 ClOSN4C18H19 ABCD4E18F19 37.15 4.61 -9.2 -0.75 0
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164313 74382823 1 NOSC18H25 ABCD18E25 -27.93 5.01 -8.27 0.08 0
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164314 74382827 1 OCl2F3N5C20H20 AB2C3D5E20F20 -131.74 5.89 -9.29 -0.57 0
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164315 74382830 1 FO5N11C32H40 AB5C11D32E40 -168.21 8.94 -8.6 -0.12 0
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164316 74382836 1 S2N5O7C32H39 A2B5C7D32E39 -219.34 8.29 -8.77 -0.54 0
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164317 74382838 1 S2N6O9C44H50 A2B6C9D44E50 -262.89 5.39 -8.77 -1.1 0
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164318 74382842 1 ClO2N4C25H27 AB2C4D25E27 -28.17 5.77 -8.79 -0.6 0
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164319 74382861 1 ClN2O4C23H39 AB2C4D23E39 -215.04 2.72 -8.29 0.19 0
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164320 74382869 1 SiO4C42H56 AB4C42D56 -168.9 4.66 -8.88 0.19 0
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164321 74382872 1 SiO2C17H26 AB2C17D26 -86.49 2.93 -9.34 0.37 0
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164322 74382891 1 O4N5C26H33 A4B5C26D33 -89.38 5.99 -8.67 -0.88 0
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164323 74382892 1 ClO4N5C32H34 AB4C5D32E34 -65.7 2.85 -8.7 -0.89 0
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164324 74382894 1 SN7O8C44H49 AB7C8D44E49 -189.41 7.45 -8.61 -1.3 0
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164325 74382898 1 ON3C14H21 AB3C14D21 -3.2 4.5 -8.84 0.07 0
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164326 74382899 1 N3H25C26 A3B25C26 143.04 3.82 -8.02 0.05 0
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164327 74382901 1 S2O13N18C56H86 A2B13C18D56E86 -537.66 7.43 -8.94 -0.35 0
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164328 74382902 1 SN11O12C38H57 AB11C12D38E57 -510.78 13.54 -8.64 -0.43 0
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164329 74382947 1 ClS2O5N7C27H38 AB2C5D7E27F38 -158.1 9.18 -9.09 -0.76 0
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164330 74382964 1 FO5N10C34H43 AB5C10D34E43 -200.42 2.81 -8.54 -0.14 0
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164331 74382982 1 NSO3C26H31 ABC3D26E31 -87.6 3.45 -9.48 -1.17 0
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164332 74382988 1 N2O5H26C28 A2B5C26D28 -118.13 3.19 -9.46 -0.32 0
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164333 74383012 1 FCl2O3N5C30H38 AB2C3D5E30F38 -168.01 3.08 -8.83 -0.83 0
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164334 74383014 1 OSiN3C27H37 ABC3D27E37 -29.31 3.35 -8.56 0.16 0
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164335 74383021 1 O6N7C37H55 A6B7C37D55 -270.91 6.81 -9.08 0.13 0
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164336 74383022 1 O4N9C36H55 A4B9C36D55 -153.82 2.84 -9.02 0.29 0
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164337 74383024 1 N12O13C59H106 A12B13C59D106 -602.43 19.8 -8.85 -1.59 0
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164338 74383025 1 ClO2F3N4C23H24 AB2C3D4E23F24 -147.12 6.48 -8.96 -1.27 0
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164339 74383031 1 ON3C23H23 AB3C23D23 21.86 1.05 -8.67 -0.43 0
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164340 74383032 1 OSN2H22C23 ABC2D22E23 23.14 2.79 -8.85 -0.82 0
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164341 74383041 1 F2N3O3C29H37 A2B3C3D29E37 -227.6 3.57 -9.07 -0.51 0
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164342 74383132 1 O3N6C25H32 A3B6C25D32 -46.84 4.95 -8.63 -0.85 0
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164343 74383416 1 ClF3N4O6C27H28 AB3C4D6E27F28 -294.8 6.76 -8.98 -1.65 0
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164344 74383417 1 ClF3N4O6C26H28 AB3C4D6E26F28 -322.75 9.07 -8.98 -1.34 0
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164345 74383418 1 ClF3N4O5C31H32 AB3C4D5E31F32 -250.21 5.25 -9.03 -1.32 0
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164346 74383515 2 O4N5C18H33 A4B5C18D33 -441.3 4.54 -9.29 0.04 0
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164349 74384796 1 SF3O6C22H31 AB3C6D22E31 -414.66 4.56 -9.29 -1.37 0
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164350 74384797 1 SO2N5H17C25 AB2C5D17E25 126.95 7.72 -8.47 -1.23 0
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164351 74386079 2 ON2C9H12 AB2C9D12 -29.23 6.37 -8.99 -0.15 0
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164352 74386807 1 N2O3F4C26H28 A2B3C4D26E28 -277.78 5.7 -8.45 -0.57 0
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164353 74387024 1 SF2O3H6C8 AB2C3D6E8 -191.52 3.87 -10.51 -1.03 0
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164354 74387300 1 SF3N3O3H22C26 AB3C3D3E22F26 -176.19 5.36 -9.44 -1.46 0
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164355 74387594 1 O4N7C27H41 A4B7C27D41 -83.66 4.07 -8.45 -1.65 0
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164356 74387665 1 N2O5F10H30C34 A2B5C10D30E34 -685.19 7.75 -9.64 -1.36 0
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164357 74387722 1 OF2N2C28H32 AB2C2D28E32 -107.81 4.32 -8.88 -0.94 0
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164358 74387723 1 OF2N2C28H30 AB2C2D28E30 -74.2 3.72 -8.8 -0.69 0
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164359 74387943 1 N2O4C29H34 A2B4C29D34 -133.75 1.77 -8.23 -0.12 0
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164360 74388043 1 NO3F10H25C34 AB3C10D25E34 -572.8 6.04 -9.5 -1.45 0
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164362 74389443 1 ClO4C13H17 AB4C13D17 -166.08 2.91 -9.51 -0.12 0
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164363 74389679 1 IO3C8H15 AB3C8D15 -116.11 4.36 -9.55 -0.82 0
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164364 74389877 4 O4C7H12 A4B7C12 -720.95 8.38 -9.26 0.09 0
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164365 74390146 2 FON2C11H12 ABC2D11E12 -77.6 5.56 -8.97 -0.36 0
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164366 74390869 1 O7C8H12 A7B8C12 -288.99 0.99 -10.36 0.03 1
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164367 74390898 1 S2O7N9C23H24 A2B7C9D23E24 -88.76 6.25 0.0 0.0 1
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164368 74390899 1 S2O7N10C22H23 A2B7C10D22E23 -62.13 10.19 0.0 0.0 1
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164369 74390900 1 S2O7N9C22H22 A2B7C9D22E22 -95.84 9.57 0.0 0.0 3
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164371 74391236 1 ON6C20H24 AB6C20D24 61.21 2.6 -8.87 -0.22 0
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164372 74391647 1 S2N7O8C38H47 A2B7C8D38E47 -213.97 5.73 -8.95 -1.3 0
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164373 74391693 1 N5O6C20H37 A5B6C20D37 -314.27 3.05 -9.98 0.19 0