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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394960 135024280 1 Si2O5C29H56 A2B5C29D56 -387.77 2.46 -8.75 -0.24 0
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394961 135024284 1 NSF3O5C18H20 ABC3D5E18F20 -318.97 2.25 -9.52 -1.64 0
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394962 135024285 1 ClO5C10H13 AB5C10D13 -223.64 5.11 -10.24 -0.41 0
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394963 135024293 1 FN3O6C17H20 AB3C6D17E20 -210.09 3.24 -9.72 -0.26 0
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394965 135024297 1 NO4C10H13 AB4C10D13 -92.61 3.69 -9.14 -0.72 0
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394966 135024305 1 NOC12H15 ABC12D15 -33.84 2.49 -8.61 0.04 0
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394967 135024319 1 NO2C25H27 AB2C25D27 -34.19 1.91 -8.01 -0.01 0
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394968 135024325 1 FN3O3C13H14 AB3C3D13E14 24.28 4.29 -9.68 -0.45 -4
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394970 135024327 1 N3O3C36H37 A3B3C36D37 -62.41 8.3 -9.16 -1.48 -1
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394971 135024331 1 NPdC6H6 ABC6D6 106.31 2.78 0.0 0.0 0
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394972 135024332 1 NNiPC3H10 ABCD3E10 103.73 3.33 -8.07 0.94 0
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394973 135024334 1 IOF3H14C15 ABC3D14E15 -118.54 5.58 -9.46 -1.38 0
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394974 135024337 2 NO2C11H14 AB2C11D14 -164.85 3.2 -8.39 -0.04 0
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394975 135024339 1 O2C15H26 A2B15C26 -55.44 2.4 -10.21 1.13 0
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394976 135024341 1 O3N4C21H22 A3B4C21D22 -19.44 4.19 -8.91 -0.59 0
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394977 135024344 1 N3O4C22H25 A3B4C22D25 -40.31 8.26 -8.62 -1.2 0
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394978 135024346 1 N3C27H31 A3B27C31 102.79 3.12 -8.46 0.17 0
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394979 135024350 2 O2C8H13 A2B8C13 -205.89 5.21 -9.35 0.65 0
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394980 135024351 1 S2O3C19H32 A2B3C19D32 -173.8 4.45 -8.39 0.51 0
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394981 135024352 1 ClNOSiC13H16 ABCDE13F16 -33.78 5.81 -8.7 -0.54 0
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394982 135024353 1 SN3H11C12 AB3C11D12 85.67 3.45 -9.03 -0.62 0
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394983 135024354 1 Br2O3H18C19 A2B3C18D19 -62.0 1.83 -9.76 -0.63 0
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394984 135024355 1 NO6C20H27 AB6C20D27 -263.8 2.75 -9.54 0.05 0
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394985 135024356 1 NO6C20H27 AB6C20D27 -263.6 2.52 -9.56 0.08 0
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394986 135024357 1 NO6C19H25 AB6C19D25 -256.41 1.92 -9.45 -0.04 0
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394987 135024358 1 NO7C20H29 AB7C20D29 -313.65 3.08 -9.31 0.04 0
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394988 135024359 1 O5C24H24 A5B24C24 -138.22 4.25 -8.74 -0.71 0
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394989 135024360 1 O2N7C17H23 A2B7C17D23 51.0 4.56 -9.77 -0.26 0
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394990 135024361 1 NO11C61H69 AB11C61D69 -278.03 3.82 -8.89 -0.1 0
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394991 135024362 1 NSO6H29C30 ABC6D29E30 -191.27 7.45 -8.52 -0.64 0
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394992 135024363 1 N2O2H24C25 A2B2C24D25 -15.72 1.25 -8.69 -0.8 0
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394993 135024364 1 ON2C33H34 AB2C33D34 17.14 2.37 -8.5 -0.65 0
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394994 135024365 2 O2C3H4 A2B3C4 -128.03 2.55 -10.26 0.94 0
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394995 135024366 1 SF2N2O2H20C28 AB2C2D2E20F28 -31.77 2.52 -8.68 -1.45 0
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394996 135024367 1 SN2O2H30C32 AB2C2D30E32 37.0 1.37 -8.57 -1.28 0
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394997 135024376 1 BrNOC19H20 ABCD19E20 -5.78 4.29 -9.43 -0.71 0
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394998 135024378 1 O3N7C17H37 A3B7C17D37 -153.83 4.61 -8.94 0.67 0
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394999 135024383 1 O3C17H24 A3B17C24 -104.56 1.38 -9.42 0.27 0
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395000 135024384 1 NO2S2H21C22 AB2C2D21E22 -17.84 1.23 -9.16 -0.6 0
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395002 135024395 1 NSO3C16H17 ABC3D16E17 -88.91 4.94 -8.45 -0.52 0
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395004 135024397 1 O3C11H16 A3B11C16 -119.56 2.72 -10.14 -0.64 0
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395005 135024398 1 O5C13H14 A5B13C14 -192.57 5.72 -10.38 -0.78 0
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395006 135024400 1 NC15H21 AB15C21 31.32 1.7 -9.31 0.33 0
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395007 135024411 1 P2N10O13C22H30 A2B10C13D22E30 -543.23 3.02 -9.06 -0.6 0
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395008 135024417 2 H9C11 A9B11 77.88 0.08 -7.95 -1.4 0
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395011 135024433 1 ClN4O4H11C14 AB4C4D11E14 -49.87 6.82 -9.48 -1.71 0
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395012 135024436 2 O2C7H10 A2B7C10 -184.68 4.12 -9.99 0.28 0
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395013 135024438 1 NOC17H29 ABC17D29 -85.04 4.0 -9.62 1.0 0
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395014 135024439 1 S4N7O12H29C31 A4B7C12D29E31 -274.04 27.77 -7.69 -3.32 0
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395015 135024440 2 S2N3O6C13H13 A2B3C6D13E13 -430.57 8.28 -9.57 -2.18 0
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395016 135024444 1 NCl2O6C18H19 AB2C6D18E19 -224.77 3.18 -9.79 -1.07 0
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395017 135024453 1 ClN8C31H35 AB8C31D35 134.23 6.28 -8.46 -0.72 0
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395018 135024454 1 Cl2O6C11H12 A2B6C11D12 -249.88 2.93 -10.34 -1.48 0
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395019 135024455 1 O3C13H20 A3B13C20 -122.15 2.65 -9.09 -0.6 -2
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395020 135024456 1 NY2C12H17 AB2C12D17 293.49 4.94 -4.8 -0.7 0
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395021 135024457 1 ClINSO2H13C15 ABCDE2F13G15 -13.13 6.64 -9.03 -1.03 0
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395022 135024458 1 NSO2Cl4H9C15 ABC2D4E9F15 -33.44 5.87 -9.51 -1.41 0
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395023 135024459 1 F3H17C26 A3B17C26 -64.78 3.65 -9.01 -0.6 0
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395024 135024460 1 F3H17C26 A3B17C26 -64.15 3.99 -9.26 -0.96 0
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395025 135024461 1 VO5C10H24 AB5C10D24 -315.99 3.63 0.0 0.0 1
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395026 135024463 1 OSN2C18H27 ABC2D18E27 -34.1 4.9 0.0 0.0 0
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395027 135024464 1 OSN2C18H26 ABC2D18E26 -20.57 2.41 -8.24 -0.28 0
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395028 135024465 1 N3O5C22H23 A3B5C22D23 -149.74 7.59 -8.61 -0.79 0
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395029 135024466 1 NO2C17H25 AB2C17D25 -101.57 5.38 -8.6 0.52 0
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395031 135024476 1 SN2C4H4 AB2C4D4 80.02 1.71 -9.75 -0.66 0
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395032 135024482 1 OC12H22 AB12C22 -69.56 1.63 -9.39 0.79 0
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395033 135024484 1 SiO3C19H32 AB3C19D32 -171.77 2.53 -9.26 0.17 0
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395034 135024486 1 O4C11H22 A4B11C22 -84.92 2.98 -9.99 -0.04 -1
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395036 135024491 1 PN2O9C22H37 AB2C9D22E37 -459.25 3.83 -8.81 0.43 0
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395037 135024493 1 FO5N6C12H13 AB5C6D12E13 -94.39 6.37 -10.04 -1.04 0
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395038 135024495 1 F2O6N9C17H17 A2B6C9D17E17 -133.33 7.37 -9.94 -1.04 0
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395039 135024496 1 OH36C41 AB36C41 116.21 1.73 -8.63 -0.24 0
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395040 135024497 2 H9C10 A9B10 113.58 0.89 -7.86 -0.66 0
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395041 135024503 1 O3N4C19H24 A3B4C19D24 -113.87 4.33 -8.77 -0.29 0
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395042 135024504 1 ClO3N4C26H27 AB3C4D26E27 -85.34 4.32 -8.76 -0.41 0