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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424205 135121734 1 O2F3H9C10 A2B3C9D10 -217.28 3.48 -10.3 -0.72 0
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424206 135121737 1 Cl2N2C9H14 A2B2C9D14 -42.05 5.89 -9.22 -0.24 0
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424207 135121739 1 ISH2F3C5 ABC2D3E5 -116.06 3.34 -9.56 -1.55 0
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424208 135121743 1 ClN2C9H15 AB2C9D15 -18.3 1.23 -8.64 0.13 1
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424209 135121744 1 NNaI4O5H13C15 ABC4D5E13F15 -164.82 11.21 0.0 0.0 0
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424210 135121747 1 ClON2F3H8C10 ABC2D3E8F10 -156.97 5.52 -9.6 -0.8 0
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424211 135121750 2 ClNOC7H8 ABCD7E8 -106.06 4.02 -9.91 -1.1 1
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424212 135121752 1 NNaO5C7H11 ABC5D7E11 -247.39 6.25 0.0 0.0 -2
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424213 135121753 1 Na2P3N5C10H14O14 A2B3C5D10E14F14 -775.85 25.65 -8.96 -1.77 0
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424214 135121754 2 NOC9H13 ABC9D13 -48.63 1.14 -8.58 0.16 0
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424215 135121758 1 N3C13H13 A3B13C13 104.1 1.1 -8.66 -0.13 0
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424216 135121759 1 ON5C14H15 AB5C14D15 64.8 3.47 -8.85 -0.93 0
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424217 135121760 1 Cl2N3H9C13 A2B3C9D13 84.9 3.74 -9.45 -0.9 0
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424218 135121762 1 BrNO2C14H14 ABC2D14E14 -45.37 2.28 -8.3 -0.36 0
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424219 135121766 1 N5C20H27 A5B20C27 73.44 2.91 -9.07 -0.62 0
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424220 135121789 1 INO2C11H20 ABC2D11E20 -67.59 11.16 -7.45 -1.56 0
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424221 135121791 1 IN3O3C16H26 AB3C3D16E26 -98.19 16.61 -7.08 -1.05 0
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424222 135121795 1 BrNO2C22H26 ABC2D22E26 -2.74 13.64 -7.91 -1.23 0
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424223 135121796 2 INOC14H22 ABCD14E22 -34.69 11.07 -7.35 -0.46 0
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424224 135121812 1 BrNO4C13H26 ABC4D13E26 -212.57 11.48 -7.88 0.08 0
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424225 135121814 2 ClON2C6H14 ABC2D6E14 -147.74 5.18 -8.76 -0.18 2
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424226 135121815 2 ON2C6H14 AB2C6D14 -58.97 13.48 -7.67 -0.41 0
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424227 135121824 1 IN3O3C16H26 AB3C3D16E26 -110.98 5.25 -7.72 -0.14 0
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424228 135121832 2 INOC13H20 ABCD13E20 7.79 22.11 -6.6 -0.76 0
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424229 135121837 2 BrN2O3C14H22 AB2C3D14E22 -79.24 19.0 -8.03 -2.22 0
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424230 135121838 1 IN3O3C14H22 AB3C3D14E22 -101.08 10.47 -7.86 -0.71 2
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424231 135121843 2 NOC8H19 ABC8D19 -15.85 2.56 -2.82 -0.1 1
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424232 135121847 1 NO2C9H16 AB2C9D16 -53.17 7.66 0.0 0.0 0
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424233 135121859 1 O3C19H26 A3B19C26 -125.42 3.44 -8.97 -0.25 0
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424236 135121864 1 BrOH17C22 ABC17D22 26.42 5.48 -9.28 -0.92 0
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424237 135121871 1 ClOSN3C14H16 ABCD3E14F16 44.16 7.14 -8.55 -1.0 0
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424238 135121872 1 N4O5C11H14 A4B5C11D14 -140.68 12.43 -9.31 -0.44 0
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424239 135121873 1 N3O4C5H7 A3B4C5D7 -66.12 11.36 -9.2 -1.86 0
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424240 135121874 1 O7C22H28 A7B22C28 -274.64 9.29 -10.14 -0.84 0
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424241 135121875 1 N20O23C91H138 A20B23C91D138 -853.41 29.06 -9.06 -0.62 0
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424243 135121879 1 N3O5C11H17 A3B5C11D17 -79.9 26.87 -8.57 -2.58 0
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424245 135121881 1 O7C20H26 A7B20C26 -264.31 5.79 -10.28 -0.8 0
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424246 135121882 7 OC3H4 AB3C4 -257.16 3.41 -10.07 -0.65 1
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424247 135121883 1 O23C42H47 A23B42C47 -860.01 5.75 0.0 0.0 0
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424249 135121888 1 CoPO17N18C72H101 ABC17D18E72F101 -335.54 13.46 0.0 0.0 0
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424250 135121890 1 ClN3O4C16H22 AB3C4D16E22 -123.76 4.42 -9.55 -1.17 0
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424251 135121897 1 ClNF2O4H10C16 ABC2D4E10F16 -149.55 5.13 -9.17 -1.62 0
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424252 135121915 1 BNO3C16H22 ABC3D16E22 -183.95 1.38 -8.35 0.13 0
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424253 135121925 1 O2N7C14H19 A2B7C14D19 26.91 1.89 -8.66 -1.34 0
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424254 135121926 1 O2H6N6C7 A2B6C6D7 110.78 3.35 -9.31 -1.68 0
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424256 135121943 3 OC10H16 AB10C16 -206.36 4.33 -9.66 0.78 0
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424257 135121945 1 Si3O6C16H36 A3B6C16D36 -428.09 4.58 -9.7 0.46 -2
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424258 135121951 2 N3O4C11H14 A3B4C11D14 -293.32 7.97 -8.81 -0.55 0
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424259 135121957 1 NO5C10H15 AB5C10D15 -199.4 4.77 -9.06 -1.51 0
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424260 135121961 1 OH14C19 AB14C19 54.13 3.75 -7.99 -0.98 0
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424262 135121964 1 S2N6O12C22H31 A2B6C12D22E31 -415.94 14.68 0.0 0.0 0
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424264 135121971 1 O6N7C20H24 A6B7C20D24 -177.06 6.76 0.0 0.0 0
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424265 135121974 2 NSO5C42H70 ABC5D42E70 -661.29 2.2 -8.39 -0.81 0
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424266 135121978 2 NOC4H7 ABC4D7 -63.05 6.26 -10.95 0.78 0
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424267 135121980 2 ON2C3H7 AB2C3D7 -78.14 7.68 -9.46 0.37 0
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424268 135121981 1 NaO3C8H9 AB3C8D9 -129.95 16.02 -8.88 -0.12 0
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424269 135121982 1 ClNaO2H6C8 ABC2D6E8 -126.55 9.66 -9.08 -0.61 0
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424270 135121993 1 O2N4C9H16 A2B4C9D16 -93.94 2.54 -9.38 0.16 0
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424271 135121994 1 KNSO5H6C7 ABCD5E6F7 -158.81 12.02 -9.85 -0.43 0
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424272 135121996 1 BSO2C12H17 ABC2D12E17 -153.15 4.57 -8.5 0.02 0
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424273 135122000 1 O3C14H20 A3B14C20 -141.02 4.57 -9.42 -0.14 0
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424274 135122004 1 S2O4C11H16 A2B4C11D16 -154.13 4.22 -9.13 -1.26 0
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424275 135122008 2 F2H4C7 A2B4C7 -117.98 3.22 -9.46 -1.11 0
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424276 135122009 1 NOC16H25 ABC16D25 -61.83 1.31 -8.57 0.41 0
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424277 135122019 1 OSnN3C15H27 ABC3D15E27 -18.86 4.46 -8.59 -0.37 0
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424278 135122020 1 NO3C16H31 AB3C16D31 -188.8 3.08 -9.33 0.65 0
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424279 135122022 1 PN2C9O9H13 AB2C9D9E13 -439.2 3.78 -10.57 -1.48 0
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424280 135122024 1 O4H12C17 A4B12C17 -83.18 4.38 -9.07 -1.91 0
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424281 135122025 1 O4H12C17 A4B12C17 -76.87 2.06 -8.76 -1.88 0
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424282 135122026 1 O4H12C17 A4B12C17 -82.74 2.85 -9.04 -1.57 0
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424283 135122029 1 NSO3H15C18 ABC3D15E18 -55.11 6.24 -8.69 -0.52 0
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424284 135122035 1 ClNO2H18C20 ABC2D18E20 -25.57 3.1 -8.98 -1.29 0
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424285 135122036 1 SO2N3H15C18 AB2C3D15E18 0.79 6.08 -8.02 -0.69 0
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424287 135122048 1 NO4C22H25 AB4C22D25 -140.43 2.33 -9.12 -0.85 0
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424288 135122059 1 O3N4C21H30 A3B4C21D30 -104.01 4.14 -8.03 -0.39 0
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424289 135122060 1 ClO2N4H11C21 AB2C4D11E21 51.32 9.28 -8.71 -1.66 0
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424290 135122075 1 N2O5H20C21 A2B5C20D21 11.31 3.57 -10.62 -1.92 0
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424291 135122077 1 NSnCl2O2C22H23 ABC2D2E22F23 -45.48 7.34 -8.35 -1.36 0
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424292 135122079 1 O2C27H46 A2B27C46 -174.16 3.42 -9.6 0.78 0
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424293 135122080 1 N5O8C16H19 A5B8C16D19 -280.59 13.82 -9.34 -0.79 0
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424294 135122082 1 ClPN5O5C17H17 ABC5D5E17F17 -80.77 5.16 -8.74 -2.03 0
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424295 135122085 1 N4O4H12C21 A4B4C12D21 -25.31 11.66 -8.63 -1.59 0
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424296 135122108 1 O4N6C21H30 A4B6C21D30 -105.35 3.78 -8.05 -0.43 1
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424297 135122117 1 ON2C13H25 AB2C13D25 -45.43 1.74 0.0 0.0 0
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424299 135122124 1 N4O5H18C24 A4B5C18D24 -52.93 12.34 -8.59 -1.56 0
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424300 135122128 1 NP2O4C26H57 AB2C4D26E57 -320.07 9.87 -8.71 1.54 0
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424301 135122137 2 NC17H20 AB17C20 54.15 1.83 -7.86 0.22 0
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424302 135122142 1 N3O5C29H29 A3B5C29D29 -117.15 2.36 -8.54 -0.62 0
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424303 135122143 1 ClNSnO2H30C33 ABCD2E30F33 -2.61 2.97 -9.28 -0.99 0
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424304 135122146 1 ClNSnO3H30C33 ABCD3E30F33 -11.8 2.83 -8.3 -1.33 0
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424306 135122154 1 ClON2C3H7 ABC2D3E7 -53.0 3.43 -10.1 -0.27 0
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424307 135122156 1 CCl3P3H8 AB3C3D8 -84.05 1.59 -9.73 0.03 0
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424308 135122157 1 NOSC5H9 ABCD5E9 -24.33 5.03 -9.44 -0.07 0
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424310 135122161 1 ClINOC8H11 ABCDE8F11 -40.0 4.47 -9.21 -0.98 0
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424311 135122162 1 F2O4H8C15 A2B4C8D15 -185.84 6.21 -9.15 -1.38 0
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424312 135122164 1 NO2C11H15 AB2C11D15 -62.97 1.59 -9.31 -0.23 0
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424313 135122165 1 BrN3O3C9H10 AB3C3D9E10 -26.53 2.31 -9.68 -1.19 0
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424314 135122173 1 BrN2O2H3C7 AB2C2D3E7 22.53 4.91 -10.6 -2.07 0
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424315 135122174 1 ClN2O3H9C10 AB2C3D9E10 -23.21 5.82 -9.76 -1.52 0
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424316 135122176 1 ClNO2H4C8 ABC2D4E8 1.8 3.56 -10.35 -1.78 0