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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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54744 17389191 1 ClNOSC16H26 ABCDE16F26 -114.0 6.8 -9.26 -0.34 0
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54745 17389194 1 BrClO2N4C14H16 ABC2D4E14F16 -26.35 5.2 -8.82 -1.98 0
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54746 17389196 1 SN3H11C13 AB3C11D13 134.4 3.82 -8.03 -1.77 0
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54747 17389198 1 ON3C15H21 AB3C15D21 -10.09 2.04 -10.07 -0.22 0
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54748 17389200 1 ON2C18H20 AB2C18D20 -6.97 7.1 -9.45 -1.04 0
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54749 17389201 1 ClOSN2F6H11C14 ABCD2E6F11G14 -354.72 6.31 -9.46 -1.76 0
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54750 17389202 1 BrOSN2C18H19 ABCD2E18F19 6.89 2.74 -8.54 -0.8 0
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54751 17389203 1 BrSO2N3F6H14C25 ABC2D3E6F14G25 -291.59 6.56 -8.93 -1.62 0
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54753 17389205 1 BrClON2S2C18H20 ABCD2E2F18G20 9.7 3.58 -8.18 -1.04 0
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54755 17389207 1 BrCl2N2S2C17H17 AB2C2D2E17F17 41.15 4.97 -8.43 -1.1 0
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54757 17389210 1 BrOCl2N2S2H19C22 ABC2D2E2F19G22 34.07 4.34 -8.3 -1.17 0
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54758 17389211 1 BrCl2N2S2H17C24 AB2C2D2E17F24 101.57 1.96 -8.4 -1.11 0
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54759 17389213 1 BrClON2S2F3H17C18 ABCD2E2F3G17H18 -158.55 4.6 -8.32 -1.2 0
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54760 17389215 1 BrClO2N3S3H21C25 ABC2D3E3F21G25 6.52 4.79 -8.67 -1.25 0
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54761 17389218 1 ClBr2N2S2H15C20 AB2C2D2E15F20 97.02 5.22 -8.56 -1.19 0
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54763 17389221 1 BrClN2S2H12C14 ABC2D2E12F14 51.72 3.25 -8.73 -0.98 0
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54764 17389224 1 BrCl2N2O2S2H15C16 AB2C2D2E2F15G16 -38.22 3.16 -8.49 -1.12 0
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54766 17389227 1 N2S2Br3H11C14 A2B2C3D11E14 64.88 3.7 -8.91 -1.05 0
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54767 17389231 1 BrSCl2N3O4H26C33 ABC2D3E4F26G33 -45.0 7.29 -8.41 -1.78 0
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54768 17389232 1 BrSN2O3C33H37 ABC2D3E33F37 -54.7 9.22 -8.29 -0.48 1
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54769 17389237 1 SN3H12C14 AB3C12D14 105.72 6.04 0.0 0.0 0
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54770 17389238 1 BrOSF2N2H11C16 ABCD2E2F11G16 -61.73 1.68 -9.46 -1.48 0
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54771 17389239 1 BrFOSN2H16C22 ABCDE2F16G22 10.89 3.98 -9.13 -1.14 0
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54772 17389241 1 ON2C16H16 AB2C16D16 3.61 5.11 -8.83 -0.63 0
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54773 17389244 1 INSO3C19H28 ABCD3E19F28 -89.32 16.9 -7.1 -1.3 0
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54774 17389247 1 SN2C25H26 AB2C25D26 77.24 5.58 -8.94 -1.23 0
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54775 17389248 1 BrN2O2H21C26 AB2C2D21E26 49.04 3.98 -9.37 -0.95 0
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54776 17389249 1 SO3N7H19C20 AB3C7D19E20 127.78 8.07 -8.79 -1.7 0
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54777 17389250 1 O2N4C17H36 A2B4C17D36 -132.12 3.01 -8.81 0.63 0
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54778 17389252 1 FN2H19C23 AB2C19D23 37.93 3.48 -8.48 -0.53 0
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54780 17389255 1 BrN2O2F4H9C14 AB2C2D4E9F14 -149.08 2.78 -8.5 -1.87 0
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54781 17389257 4 NOC5H5 ABC5D5 -53.89 9.1 -8.91 -1.42 0
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54782 17389260 1 SN2O5H18C20 AB2C5D18E20 -122.94 9.86 -8.69 -1.3 0
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54783 17389267 1 SO2N4C18H18 AB2C4D18E18 8.28 10.51 -8.52 -1.19 0
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54784 17389271 1 ClNO3C12H20 ABC3D12E20 -154.1 3.23 -8.54 -0.23 0
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54785 17389272 1 NCl3C12H16 AB3C12D16 -42.64 3.01 -9.01 -0.39 0
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54786 17389274 1 ON2C15H16 AB2C15D16 -12.51 2.19 -8.22 -0.27 0
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54787 17389275 1 N3O4C20H21 A3B4C20D21 -116.17 2.15 -8.76 -0.39 0
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54788 17389277 1 SN2O2H16C26 AB2C2D16E26 70.41 6.34 -9.59 -1.41 0
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54789 17389281 1 OSN4H16C17 ABC4D16E17 81.69 17.15 -7.7 -2.58 1
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54790 17389282 1 OSN4C17H17 ABC4D17E17 61.59 5.51 0.0 0.0 0
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54791 17389283 1 NaH3N6C10 AB3C6D10 92.48 4.99 -8.91 -0.92 0
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54792 17389284 1 FNO4H18C23 ABC4D18E23 -65.61 6.2 -7.62 -1.0 0
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54793 17389285 1 ON5C22H23 AB5C22D23 171.22 7.55 -9.01 -1.5 0
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54794 17389288 1 ON3H15C17 AB3C15D17 37.08 7.79 -8.4 -1.08 0
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54795 17389289 1 ClO7H15C26 AB7C15D26 39.01 12.57 -8.94 -4.31 0
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54796 17389290 1 BrSN3O3H14C17 ABC3D3E14F17 17.68 8.0 -9.07 -1.5 0
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54797 17389294 1 ClO4N6H13C16 AB4C6D13E16 45.13 5.16 -9.02 -1.87 0
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54798 17389297 1 ClN4O4H15C20 AB4C4D15E20 40.41 12.37 -8.99 -1.85 0
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54799 17389298 1 O4N6H12C13 A4B6C12D13 60.18 3.11 -9.07 -1.78 0
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54800 17389300 1 BrSN4O4H11C14 ABC4D4E11F14 13.37 14.83 -8.92 -1.66 0
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54801 17389301 1 NO4C17H17 AB4C17D17 -106.91 4.88 -8.14 -1.24 0
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54802 17389302 1 O2N3C24H27 A2B3C24D27 -15.8 7.37 -9.0 -0.54 0
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54803 17389306 1 Cl2N2O3H14C16 A2B2C3D14E16 -57.32 4.52 -8.81 -1.36 0
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54804 17389309 1 SN3O3C27H31 AB3C3D27E31 -70.63 6.13 -8.57 -1.37 0
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54805 17389310 1 N2O2S2C27H34 A2B2C2D27E34 -17.79 2.71 -8.22 -1.74 0
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54806 17389314 1 BrFS2N3H19C23 ABC2D3E19F23 73.75 3.84 -8.57 -1.12 0
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54807 17389315 1 BrISN2F3H11C16 ABCD2E3F11G16 -81.31 1.26 -8.8 -1.11 0
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54808 17389317 1 BrCl2O2S2N3C20H20 AB2C2D2E3F20G20 -40.77 8.51 -8.96 -1.4 0
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54809 17389321 1 BrFO2S2N3H25C31 ABC2D2E3F25G31 17.51 2.3 -8.24 -0.99 0
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54810 17389323 1 IOSBr2N2H13C16 ABCD2E2F13G16 47.17 5.15 -8.61 -1.0 0
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54811 17389325 1 BrSN3O3H16C17 ABC3D3E16F17 14.72 7.99 -8.53 -1.39 0
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54812 17389327 1 BrClSO2N3H19C23 ABCD2E3F19G23 46.33 5.49 -8.56 -0.82 0
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54813 17389332 1 BrSN3O4H28C32 ABC3D4E28F32 -10.65 4.93 -8.45 -0.99 0
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54814 17389334 1 BrClSO2N3H29C34 ABCD2E3F29G34 47.01 3.93 -8.46 -0.83 0
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54815 17389335 1 BrIO2S2N3C19H19 ABC2D2E3F19G19 -3.34 6.12 -8.8 -1.28 0
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54816 17389336 1 BrIS2N3O3C19H19 ABC2D3E3F19G19 -35.04 7.87 -8.89 -1.28 0
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54817 17389337 1 BrO2S2F3N3C20H21 AB2C2D3E3F20G21 -192.22 10.94 -9.07 -1.41 0
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54818 17389340 1 BrS2N3O3C21H24 AB2C3D3E21F24 -58.62 7.13 -8.93 -0.81 0
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54819 17389341 1 BrSN3O4H32C35 ABC3D4E32F35 -52.58 6.35 -7.84 -0.72 0
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54820 17389342 1 BrS2N3O4C22H26 AB2C3D4E22F26 -97.2 12.61 -8.69 -0.97 0
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54821 17389346 1 SO2N6H26C27 AB2C6D26E27 98.78 5.02 -8.57 -1.04 0
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54822 17389348 1 SO2Cl3N4H17C23 AB2C3D4E17F23 25.32 2.56 -9.12 -0.92 0
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54823 17389349 1 BrN4O4H7C10 AB4C4D7E10 10.88 8.48 -9.7 -2.33 0
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54825 17389354 1 BrNS2O5H8C13 ABC2D5E8F13 -114.55 7.67 -9.38 -1.97 0