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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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172680 75540554 1 NOS2H13C14 ABC2D13E14 24.95 3.12 -8.84 -1.04 0
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172681 75540733 1 NSO5C20H29 ABC5D20E29 -190.07 3.42 -8.44 -0.42 0
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172682 75540944 2 ON2C10H10 AB2C10D10 28.87 5.29 -9.12 -0.92 0
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172683 75541168 1 SO3N4H22C26 AB3C4D22E26 47.84 10.63 -8.73 -1.11 0
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172684 75541263 1 SO2N4C30H30 AB2C4D30E30 59.63 11.47 -8.32 -1.2 0
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172685 75541585 1 BrS2N3O5H16C22 AB2C3D5E16F22 -112.59 3.9 -9.45 -2.57 0
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172686 75541586 1 SO3N4H16C20 AB3C4D16E20 -31.41 6.53 -8.72 -2.16 0
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172687 75541885 2 SN2C8H8 AB2C8D8 98.55 9.48 -8.7 -1.24 0
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172688 75541886 1 OS2N4C16H16 AB2C4D16E16 68.44 9.13 -8.7 -1.28 0
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172689 75541919 1 N7O13C20H37 A7B13C20D37 -513.92 4.16 -9.36 -0.27 0
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172690 75541965 1 ClO2N4C10H13 AB2C4D10E13 -30.05 7.42 -9.4 -1.76 1
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172691 75542005 1 N4O4C29H37 A4B4C29D37 -166.68 3.75 0.0 0.0 0
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172692 75542146 1 O2S2N5C21H25 A2B2C5D21E25 -2.31 2.93 -8.64 -1.24 1
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172693 75542147 1 SO2N5C15H16 AB2C5D15E16 13.83 6.43 0.0 0.0 1
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172694 75542148 1 SO2N5C16H16 AB2C5D16E16 19.41 6.7 0.0 0.0 0
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172695 75542149 1 S2N4O4C25H26 A2B4C4D25E26 -29.35 3.71 -8.14 -0.98 1
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172696 75542150 1 O3N5C16H18 A3B5C16D18 -49.76 4.2 0.0 0.0 1
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172697 75542151 1 O3N5C17H20 A3B5C17D20 -53.27 6.41 0.0 0.0 1
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172698 75542152 1 O3N5C17H20 A3B5C17D20 -51.37 6.34 0.0 0.0 1
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172699 75542153 1 O3N5C19H22 A3B5C19D22 -55.16 6.92 0.0 0.0 1
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172700 75542154 1 O3N5C16H18 A3B5C16D18 -53.31 3.86 0.0 0.0 0
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172701 75542155 1 ClSO2N3H10C16 ABC2D3E10F16 -0.04 3.38 -9.33 -1.93 1
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172702 75542156 1 O3N5C18H20 A3B5C18D20 -47.95 6.65 0.0 0.0 1
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172703 75542157 1 O3N5C18H22 A3B5C18D22 -60.14 6.87 0.0 0.0 1
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172704 75542158 1 O3N5C18H20 A3B5C18D20 -50.86 6.85 0.0 0.0 1
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172705 75542159 1 O3N5H20C21 A3B5C20D21 -13.89 7.14 0.0 0.0 0
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172706 75542160 1 S2O3N4C26H28 A2B3C4D26E28 -10.37 2.21 -8.32 -0.98 0
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172707 75542244 1 O3N5C25H29 A3B5C25D29 -46.22 6.31 -8.93 -0.06 0
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172708 75542551 1 SF2O2N3H15C16 AB2C2D3E15F16 -109.92 5.04 -9.71 -0.7 0
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172709 75542552 1 SF2O2N3H19C20 AB2C2D3E19F20 -128.6 5.17 -9.49 -0.66 0
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172710 75542553 1 ClSF2O2N3H18C20 ABC2D2E3F18G20 -136.54 3.43 -9.56 -0.83 0
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172711 75542670 1 FN3O3H18C21 AB3C3D18E21 -43.71 8.25 -9.04 -1.37 0
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172712 75542671 1 O2N3C16H17 A2B3C16D17 -0.48 9.12 -9.07 -1.12 0
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172713 75542813 1 SN3O4C23H27 AB3C4D23E27 -116.5 4.66 -8.43 -0.36 0
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172714 75542814 1 SN4O4C23H26 AB4C4D23E26 -126.06 7.52 -9.12 -0.67 0
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172715 75543055 1 N3O3C23H27 A3B3C23D27 -52.21 7.52 -8.44 -1.04 0
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172716 75543361 1 FSN4O4C20H25 ABC4D4E20F25 -143.63 4.24 -9.03 -0.5 0
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172717 75543870 1 ClN3O3C23H26 AB3C3D23E26 -114.19 5.71 -9.36 -0.63 0
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172718 75543888 1 N3O3C18H23 A3B3C18D23 -120.17 1.81 -9.26 0.09 0
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172719 75543889 1 N3O3C19H25 A3B3C19D25 -127.89 1.26 -9.24 0.1 0
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172720 75543890 1 FN3O3C20H20 AB3C3D20E20 -138.51 8.59 -8.8 -0.46 0
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172721 75543935 2 NO2C7H8 AB2C7D8 -158.08 7.57 -9.7 -0.52 0
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172722 75544148 1 O3N4C21H26 A3B4C21D26 -74.92 4.12 -9.23 -0.22 0
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172723 75544613 1 BrS2N3O4C19H20 AB2C3D4E19F20 -111.0 3.63 -8.72 -1.57 0
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172724 75544614 1 BrO2S2N3C16H20 AB2C2D3E16F20 -76.62 3.49 -8.8 -1.48 0
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172725 75544615 1 BrS2N3O4C21H24 AB2C3D4E21F24 -120.36 2.44 -8.78 -1.49 0
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172726 75544616 1 S2N3O6C23H29 A2B3C6D23E29 -197.04 3.94 -8.22 -1.37 0
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172727 75544617 1 S2N3O5C21H25 A2B3C5D21E25 -150.09 1.94 -8.62 -1.31 0
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172728 75544618 1 S2N3O4C20H21 A2B3C4D20E21 -104.89 1.74 -8.78 -1.47 0
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172729 75544622 1 O2S2N3C20H23 A2B2C3D20E23 -54.0 3.5 -8.67 -1.46 0