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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139913 52617013 1 F3O3N4C22H23 A3B3C4D22E23 -180.06 4.67 -9.09 -1.18 0
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139914 52617014 1 SO2F3N4C22H23 AB2C3D4E22F23 -131.88 3.19 -9.01 -1.21 0
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139915 52617374 1 SN3O5C21H27 AB3C5D21E27 -163.97 3.89 -9.48 -0.65 0
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139916 52617375 1 SN3O5C21H27 AB3C5D21E27 -161.55 9.8 -9.54 -0.62 0
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139917 52617596 1 SO2N5H21C24 AB2C5D21E24 27.92 11.16 -8.54 -1.56 0
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139918 52617718 1 ClO2N4C20H23 AB2C4D20E23 -44.57 2.6 -9.04 -0.35 0
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139919 52617756 2 NOC8H9 ABC8D9 -34.08 2.81 -9.14 -0.18 0
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139920 52617930 1 NSO3C19H23 ABC3D19E23 -69.5 3.82 -8.67 -0.62 0
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139921 52617931 1 NO6C18H19 AB6C18D19 -111.74 7.59 -8.9 -1.15 0
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139922 52617932 1 BrFNO2H15C19 ABCD2E15F19 -63.93 3.25 -9.02 -0.95 0
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139923 52617944 1 NO6C17H17 AB6C17D17 -105.52 10.18 -8.95 -1.16 0
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139924 52618428 1 Cl2N3O4H9C15 A2B3C4D9E15 23.28 4.67 -9.96 -1.96 0
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139925 52618607 1 N5O7H19C22 A5B7C19D22 -81.75 8.77 -9.17 -1.84 0
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139926 52618630 1 N3O6H19C21 A3B6C19D21 -100.52 8.16 -9.67 -1.09 0
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139927 52619035 1 FS2N3O4H14C19 AB2C3D4E14F19 -4.52 9.29 -9.24 -1.42 0
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139928 52619176 1 N2O5C22H22 A2B5C22D22 -65.47 7.13 -8.63 -1.41 0
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139929 52619177 2 NO2C10H12 AB2C10D12 -63.43 6.78 -9.31 -1.39 0
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139930 52619178 2 NO2C9H13 AB2C9D13 -97.61 7.69 -9.45 -1.32 0
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139931 52619218 1 N2O4C19H22 A2B4C19D22 -66.37 2.8 -9.54 -1.46 0
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139932 52619219 1 N2O4C19H22 A2B4C19D22 -64.53 3.47 -9.47 -1.46 0
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139933 52619220 1 BrN2O4C17H17 AB2C4D17E17 -48.02 4.4 -9.72 -1.52 0
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139934 52619252 1 N2O4C11H14 A2B4C11D14 -69.05 5.85 -9.51 -1.31 0
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139935 52619813 1 SO4N5C17H17 AB4C5D17E17 43.83 6.65 -9.66 -1.92 0
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139936 52620044 1 N3O3H23C24 A3B3C23D24 -58.71 6.3 -8.65 -1.26 0
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139937 52620045 1 SBr2O2N3C15H15 AB2C2D3E15F15 -30.28 6.74 -8.88 -1.21 0
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139938 52620046 1 O2N6H24C25 A2B6C24D25 39.97 10.05 -8.72 -1.05 0
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139939 52620047 1 FSO2N5C24H24 ABC2D5E24F24 -35.18 6.86 -8.6 -0.55 0
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139940 52620048 1 N3O4C21H23 A3B4C21D23 -119.3 4.79 -8.8 -1.23 0
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139941 52620049 1 Cl2O2N3C19H19 A2B2C3D19E19 -53.08 6.31 -8.73 -0.97 0
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139942 52620127 1 FSN3O3H16C19 ABC3D3E16F19 -21.31 5.02 -9.5 -1.6 0
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139943 52620145 1 OS2N6H12C16 AB2C6D12E16 135.41 3.34 -8.97 -1.56 1
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139944 52620803 1 ON3C22H34 AB3C22D34 -23.67 2.97 0.0 0.0 0
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139945 52620804 1 ON3C22H33 AB3C22D33 -45.31 3.72 -8.36 0.09 1
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139946 52620805 1 ON3C22H34 AB3C22D34 -24.51 3.8 0.0 0.0 0
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139947 52620806 1 ON3C22H33 AB3C22D33 -45.51 1.17 -8.26 0.17 0
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139948 52620928 1 ON2C25H28 AB2C25D28 1.67 4.72 -8.82 -0.45 0
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139949 52620965 1 N2S2O5C21H26 A2B2C5D21E26 -167.83 7.36 -9.38 -0.81 0
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139950 52621266 1 ClNO4H14C15 ABC4D14E15 -125.21 5.72 -9.03 -1.3 0
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139951 52621393 1 NO2C17H25 AB2C17D25 -81.32 3.24 -8.28 0.33 0
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139952 52621394 1 NO2C17H25 AB2C17D25 -81.76 3.42 -8.26 0.35 0
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139953 52621395 1 NO2C17H25 AB2C17D25 -84.23 3.43 -8.25 0.36 0
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139954 52621396 1 NO2C17H25 AB2C17D25 -82.29 3.25 -8.29 0.33 0
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139955 52621397 1 N2O3C16H16 A2B3C16D16 1.54 3.12 -8.44 -1.34 0
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139956 52621398 2 NOC9H9 ABC9D9 1.47 3.14 -8.26 -0.57 0
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139957 52621399 1 O2N3H17C18 A2B3C17D18 34.47 2.04 -8.62 -0.74 0
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139958 52621400 1 N2O2C19H28 A2B2C19D28 -85.53 6.12 -8.12 0.45 0
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139959 52621401 1 O2N3C14H17 A2B3C14D17 -26.65 1.44 -8.47 0.01 0
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139960 52621464 1 NSO5C15H23 ABC5D15E23 -199.55 6.41 -9.33 -0.43 0
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139961 52622045 1 SN2O3C17H22 AB2C3D17E22 -98.13 6.12 -8.74 -0.35 0
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139962 52622338 1 N4O4C23H34 A4B4C23D34 -185.2 8.67 -8.79 -0.38 0