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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393508 135020873 2 OH8C11 AB8C11 6.22 1.31 -8.42 -0.8 0
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393509 135020874 1 ON3C23H29 AB3C23D29 -9.71 3.48 -8.7 -0.67 1
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393510 135020875 1 NC16H22 AB16C22 55.48 3.36 0.0 0.0 0
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393511 135020876 2 N2O2C11H12 A2B2C11D12 -73.99 6.69 -8.96 -0.52 0
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393512 135020877 1 NO5H21C22 AB5C21D22 -126.19 2.51 -8.81 -0.36 0
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393513 135020878 2 N2O2C11H12 A2B2C11D12 -73.99 6.69 -8.97 -0.52 0
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393514 135020879 1 O3N6C22H22 A3B6C22D22 43.99 0.91 -8.84 -0.81 1
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393515 135020880 1 O3N6C22H23 A3B6C22D23 45.32 3.42 0.0 0.0 0
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393516 135020882 1 N5O5C28H35 A5B5C28D35 -134.96 6.05 -9.16 -0.72 0
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393517 135020883 1 NPSO6C23H34 ABCD6E23F34 -258.19 7.6 -9.12 -0.1 0
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393518 135020884 1 NSO2C19H23 ABC2D19E23 -45.02 7.56 -8.75 -0.26 0
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393519 135020885 1 ON4C10H12 AB4C10D12 52.86 5.96 -9.91 -0.43 0
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393520 135020886 1 BrN2S2O4H13C15 AB2C2D4E13F15 -77.76 3.46 -8.53 -1.63 0
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393521 135020887 1 BrN2S2O4H15C16 AB2C2D4E15F16 -84.12 3.33 -8.66 -1.41 0
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393522 135020888 1 O8C19H24 A8B19C24 -303.01 2.55 -9.02 -0.76 0
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393523 135020889 1 NSO3C17H25 ABC3D17E25 -110.08 4.98 -9.33 -0.29 0
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393524 135020890 1 OC15H18 AB15C18 11.25 2.13 -9.37 0.37 0
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393525 135020898 1 SO2N3C33H33 AB2C3D33E33 24.94 3.65 -8.77 -0.98 0
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393526 135020899 1 O2N3C27H27 A2B3C27D27 15.69 1.8 -9.25 -1.24 1
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393527 135020900 1 O2N3C27H28 A2B3C27D28 3.21 2.39 0.0 0.0 0
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393528 135020901 1 NOC17H23 ABC17D23 -3.89 4.02 -9.01 0.02 0
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393529 135020902 1 BrO2N4C29H31 AB2C4D29E31 7.55 3.98 -9.06 -0.7 0
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393530 135020903 1 ON4H16C21 AB4C16D21 130.06 3.81 -8.74 -0.89 0
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393531 135020904 1 ON2H14C21 AB2C14D21 54.32 1.9 -8.36 -0.87 0
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393532 135020905 1 ON4H14C17 AB4C14D17 98.15 4.94 -8.48 -0.86 0
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393533 135020906 1 ON2H12C17 AB2C12D17 24.72 2.16 -8.31 -0.8 0
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393534 135020908 1 ON2H14C18 AB2C14D18 13.79 2.07 -8.28 -0.78 0
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393535 135020917 1 NS2O9C22H33 AB2C9D22E33 -386.91 4.94 -8.2 -0.43 1
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393536 135020922 1 O2N4H13C14 A2B4C13D14 29.12 6.17 0.0 0.0 0
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393537 135020944 1 NSO4C16H23 ABC4D16E23 -119.68 6.75 -9.44 -0.31 0
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393538 135020945 1 O4C15H18 A4B15C18 -141.78 3.57 -8.74 -0.13 0
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393539 135020946 1 NPSO6C22H32 ABCD6E22F32 -244.46 9.82 -9.57 -0.56 0
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393540 135020975 1 ON3C25H33 AB3C25D33 27.1 1.85 -8.53 -0.21 2
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393541 135020996 2 NC15H22 AB15C22 46.22 20.27 -5.5 -0.65 0
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393542 135021004 4 NC8H10 AB8C10 104.65 4.92 -8.26 -1.27 0
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393543 135021006 4 NC8H10 AB8C10 90.63 3.54 -8.23 -1.19 0
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393544 135021011 1 NO3C7H11 AB3C7D11 -131.56 2.75 -10.3 -0.25 0
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393545 135021012 1 OC9H16 AB9C16 -54.09 3.4 -10.05 0.74 0
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393546 135021013 1 SiN2C28H32 AB2C28D32 76.32 3.8 -8.64 -0.91 0
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393547 135021015 1 N3O3C17H23 A3B3C17D23 -76.77 3.17 -9.38 -0.84 1
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393548 135021016 1 N3O3C17H24 A3B3C17D24 -62.25 2.68 0.0 0.0 0
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393549 135021017 1 NO3C17H23 AB3C17D23 -136.68 3.47 -9.56 0.0 0
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393550 135021018 1 S2O5C18H24 A2B5C18D24 -194.93 6.29 -9.03 -0.77 0
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393551 135021019 1 S2O5C21H30 A2B5C21D30 -210.53 6.41 -9.0 -0.71 1
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393552 135021021 1 PC38H46 AB38C46 82.89 7.32 0.0 0.0 0
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393553 135021025 1 ON2C18H26 AB2C18D26 -3.86 2.31 -8.88 -0.24 0
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393554 135021030 1 ClO4H15C21 AB4C15D21 -95.43 4.94 -9.89 -1.03 0
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393555 135021031 1 SN2O4H22C24 AB2C4D22E24 -95.91 8.83 -9.79 -0.55 0
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393556 135021033 1 N3O3H17C25 A3B3C17D25 51.26 8.82 -9.31 -1.61 0
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393557 135021034 1 N4O5H18C30 A4B5C18D30 80.9 4.34 -9.99 -1.75 0
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393558 135021035 1 N3O3H17C25 A3B3C17D25 52.35 4.46 -9.26 -1.49 0
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393559 135021036 1 FOC12H17 ABC12D17 -95.26 1.41 -9.32 0.42 0
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393560 135021037 1 NO2H19C27 AB2C19D27 107.15 6.37 -9.02 -1.33 0
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393561 135021038 1 S2N3O8H29C30 A2B3C8D29E30 -172.0 11.57 -8.66 -1.79 0
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393562 135021039 1 S2N3O3H13C17 A2B3C3D13E17 26.78 3.2 -8.86 -1.05 1
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393563 135021040 1 S2N3O3H14C17 A2B3C3D14E17 24.35 4.12 0.0 0.0 0
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393564 135021041 1 O2N4H18C21 A2B4C18D21 51.38 0.82 -9.23 -0.85 1
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393565 135021042 1 O2N4H19C21 A2B4C19D21 47.57 3.26 0.0 0.0 0
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393566 135021043 1 O3C13H14 A3B13C14 -122.0 2.55 -9.77 -0.64 0
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393567 135021044 1 O2H18C21 A2B18C21 13.94 3.98 -9.33 -0.38 0
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393568 135021047 1 N3O10C16H23 A3B10C16D23 -371.71 4.12 -9.99 -0.22 0
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393569 135021054 1 SiO5C23H46 AB5C23D46 -267.92 2.48 -8.81 1.06 0
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393570 135021055 1 SiO5C23H46 AB5C23D46 -289.33 2.81 -8.97 0.91 0
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393571 135021056 1 SiO5C23H46 AB5C23D46 -273.88 1.42 -8.78 1.1 0
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393572 135021057 1 NSC16H19 ABC16D19 99.15 2.22 -8.28 -0.41 0
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393573 135021058 2 NO2C7H9 AB2C7D9 -151.38 2.75 -8.45 0.02 0
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393574 135021059 1 NSO2C25H27 ABC2D25E27 6.49 4.68 -8.7 -0.4 0
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393575 135021060 1 NSO2C31H35 ABC2D31E35 17.2 5.54 -8.97 -0.33 0
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393576 135021061 1 NSO4C24H25 ABC4D24E25 -84.24 7.94 -9.36 -0.44 0
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393577 135021077 1 NO2C15H21 AB2C15D21 -50.52 1.93 -8.95 0.04 0
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393578 135021078 1 NO3C7H9 AB3C7D9 -102.42 5.01 -10.28 0.41 0
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393579 135021089 1 ON2H22C23 AB2C22D23 66.22 2.19 -8.78 -0.57 0
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393580 135021139 1 O2C13H14 A2B13C14 -66.44 1.21 -9.01 -0.01 -8
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393581 135021140 1 NSRh2O4C23H47 ABC2D4E23F47 -299.37 43.34 -9.95 -2.67 -8
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393582 135021141 1 NRh2O4C22H41 AB2C4D22E41 -187.7 17.7 -9.22 -4.06 0