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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125214 50915290 1 SO2N4H16C22 AB2C4D16E22 62.21 8.52 -8.26 -1.0 0
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125215 50915293 1 BrNSO3H18C19 ABCD3E18F19 -72.41 2.1 -9.18 -1.17 0
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125216 50915414 1 NO2C17H23 AB2C17D23 -83.76 5.26 -8.39 -0.64 0
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125217 50915438 1 O2N3C26H31 A2B3C26D31 -13.7 4.47 -8.98 -0.05 0
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125218 50915467 1 NSO2H19C24 ABC2D19E24 36.72 4.72 -8.88 -1.0 0
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125219 50915488 1 O3N4F5H13C21 A3B4C5D13E21 -284.45 9.67 -9.29 -1.65 0
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125220 50915489 1 FO3N5H14C21 AB3C5D14E21 -45.41 8.86 -9.3 -1.46 0
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125221 50915490 1 FN4O4H17C21 AB4C4D17E21 -119.42 9.82 -9.22 -0.9 0
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125222 50915529 1 O5H16C18 A5B16C18 -150.65 2.95 -8.5 -1.01 0
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125223 50915672 1 OF3N5H14C20 AB3C5D14E20 -84.99 6.64 -8.93 -1.46 0
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125224 50915673 1 ON5H21C24 AB5C21D24 87.07 5.88 -8.62 -0.91 0
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125225 50915706 1 N2O4C21H24 A2B4C21D24 -105.03 4.9 -8.42 -0.7 0
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125226 50915751 1 N3O6H13C15 A3B6C13D15 -106.53 5.96 -9.41 -1.74 0
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125227 50915897 1 O2N5C17H19 A2B5C17D19 2.35 6.65 -9.31 -0.67 0
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125228 50915898 1 ON5H15C18 AB5C15D18 116.12 8.05 -8.52 -0.88 0
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125229 50915918 1 N2O4H16C19 A2B4C16D19 -84.32 2.59 -8.74 -1.13 0
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125230 50915982 1 FON2C23H31 ABC2D23E31 -57.78 6.87 -8.32 -0.13 0
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125231 50916024 1 SN2O5C35H36 AB2C5D35E36 -124.79 6.96 -8.65 -0.91 0
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125232 50916124 1 O3F6C25H36 A3B6C25D36 -501.65 5.71 -10.2 -0.02 2
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125233 50916147 1 CaFSO4N5H22C23 ABCD4E5F22G23 -32.49 9.9 -4.26 -1.04 0
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125234 50916148 1 FO3N7H20C22 AB3C7D20E22 1.9 4.97 -9.6 -1.27 1
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125235 50916169 1 NO3C20H24 AB3C20D24 -27.93 2.1 0.0 0.0 0
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125236 50916277 1 SN2O4H12C14 AB2C4D12E14 -105.87 1.04 -8.94 -1.61 0
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125237 50916300 1 NO7C38H61 AB7C38D61 -375.74 5.52 -9.29 -0.04 0
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125238 50916367 1 NS2C20H25 AB2C20D25 59.47 1.45 -8.65 -0.68 0
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125239 50916368 1 NO2S2C20H25 AB2C2D20E25 -13.34 5.67 -9.21 -1.19 0
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125240 50916521 1 FO4C24H31 AB4C24D31 -214.82 3.51 -8.98 0.32 0
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125241 50916573 1 NSiO3C24H39 ABC3D24E39 -210.42 5.61 -8.82 0.03 0
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125242 50916574 1 O2S2C17H26 A2B2C17D26 -94.69 2.45 -8.55 0.4 0
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125243 50916596 1 NF3O7C19H22 AB3C7D19E22 -426.21 4.89 -9.34 -0.88 0
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125244 50916599 1 O4C11H20 A4B11C20 -215.35 1.69 -10.13 0.61 0
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125245 50916738 1 NSiO4C13H27 ABC4D13E27 -271.74 1.03 -9.56 0.72 0
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125246 50916739 1 NSiO4C13H25 ABC4D13E25 -255.57 5.01 -9.72 0.35 0
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125247 50916746 1 O6C11H14 A6B11C14 -245.5 4.91 -11.04 0.02 0
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125248 50916881 1 ClSF3O4H8C10 ABC3D4E8F10 -172.92 3.92 -8.8 -1.72 0
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125249 50916901 1 PN2O4C30H41 AB2C4D30E41 -234.15 5.24 -8.2 0.16 0
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125250 50916971 1 NO5C19H27 AB5C19D27 -203.43 2.34 -8.19 -0.53 0
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125251 50917194 1 ClNOSC2H2F4 ABCDE2F2G4 -235.53 3.51 -9.68 -0.94 0
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125252 50917195 1 ClNH10C17 ABC10D17 119.08 3.11 -9.06 -1.13 0
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125253 50917196 1 SF6N8O11C57H64 AB6C8D11E57F64 -657.97 13.49 -9.26 -1.22 0
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125254 50917279 1 SN2O5C18H20 AB2C5D18E20 -89.05 8.25 -8.85 -1.38 0
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125255 50917280 1 O19C48H74 A19B48C74 -892.75 10.4 -9.47 -0.38 0
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125256 50917281 1 PN2O4C28H45 AB2C4D28E45 -286.47 3.8 -8.47 0.23 0
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125257 50917361 1 SF3O3N4H31C46 AB3C3D4E31F46 95.77 22.86 -8.76 -3.34 1
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125258 50917362 1 N4H31C45 A4B31C45 295.96 3.01 0.0 0.0 0
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125259 50917400 1 SF3O6N8C25H31 AB3C6D8E25F31 -323.36 9.16 -8.49 -0.89 0
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125260 50917433 2 N3C11H12 A3B11C12 92.63 5.3 -8.66 -0.96 0
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125261 50917434 1 ON7C21H21 AB7C21D21 96.7 4.66 -8.81 -1.12 0
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125262 50917624 1 Cl2O3N4C18H20 A2B3C4D18E20 -77.18 4.99 -8.86 -0.7 0
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125263 50917628 1 FO3N4C19H23 AB3C4D19E23 -118.82 3.84 -8.95 -0.76 0
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125264 50917629 1 PN3O4C27H44 AB3C4D27E44 -281.91 1.7 -8.44 0.25 0
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125265 50917724 1 N2O8H16C17 A2B8C16D17 -293.14 1.82 -9.81 -1.37 0
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125266 50917765 1 NSO2H17C21 ABC2D17E21 -3.97 5.57 -8.97 -0.79 0
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125267 50917782 1 BrClON3C20H21 ABCD3E20F21 -12.92 6.14 -8.96 -0.46 0
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125268 50917805 1 ClO3N4C19H23 AB3C4D19E23 -67.63 5.39 -8.46 -0.48 0
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125269 50917806 1 Cl2N3O4C18H19 A2B3C4D18E19 -118.56 4.45 -9.31 -0.79 0
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125270 50917888 1 NOF2H11C16 ABC2D11E16 -80.26 8.05 -8.96 -0.85 0
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125271 50917906 1 NOC14H17 ABC14D17 9.52 5.14 -9.37 -0.45 0
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125272 50917907 1 NO2C14H17 AB2C14D17 -21.95 5.18 -9.04 -0.44 0
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125273 50917937 1 O5C21H32 A5B21C32 -247.85 6.46 -9.61 -0.28 0
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125274 50917938 1 NO3C22H27 AB3C22D27 -29.82 17.69 -6.34 -0.86 1
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125275 50917939 1 NO3C22H28 AB3C22D28 -52.84 2.42 0.0 0.0 0
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125276 50917976 1 NO2C29H45 AB2C29D45 -111.48 6.02 -8.78 0.18 0
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125277 50917991 1 ON4C19H20 AB4C19D20 35.14 4.86 -8.53 -0.74 0
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125278 50918078 1 OSiC15H20 ABC15D20 -7.02 4.28 -9.78 -0.67 -1
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125279 50918347 1 ZnN4H13C17 AB4C13D17 -4.51 5.19 0.0 0.0 1
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125281 50918378 2 PPtN2O4C9H17 ABC2D4E9F17 -328.1 4.46 -8.46 -0.63 0
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125283 50918639 1 NiO6N10C38H46 AB6C10D38E46 -49.22 6.93 -8.18 -1.54 -2
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125287 50918747 1 O4C11H16 A4B11C16 -179.44 4.04 -10.27 0.29 0
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125288 50918816 1 O7C16H18 A7B16C18 -299.22 5.53 -9.84 -0.87 0
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125289 50918826 1 O4C15H20 A4B15C20 -97.63 1.69 -9.61 0.59 0
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125290 50918827 2 OC10H15 AB10C15 -119.04 2.01 -9.71 0.86 0
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125291 50918828 1 OC15H24 AB15C24 29.63 8.2 -5.56 -2.24 0
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125292 50918829 1 SO10C17H24 AB10C17D24 -392.8 5.93 -10.17 -0.29 0
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125293 50918830 1 O4C15H22 A4B15C22 -143.42 2.63 -9.47 0.99 0
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125294 50918860 1 O7C19H24 A7B19C24 -141.24 2.54 -9.43 -0.2 0
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125295 50918861 1 NO2C22H33 AB2C22D33 -105.98 2.86 -9.42 -0.02 0
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125296 50918862 1 N3O3C20H27 A3B3C20D27 -115.1 5.51 -8.77 -0.08 0
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125299 50918865 1 O5C19H22 A5B19C22 -184.09 6.02 -10.39 -0.26 0
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125300 50918889 1 NO2C20H25 AB2C20D25 -53.81 2.46 -8.61 0.29 0
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125301 50918890 1 ClNO8C24H26 ABC8D24E26 -309.57 1.69 -9.13 -1.83 0
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125302 50918943 1 NiN2C10H24 AB2C10D24 128.68 3.47 -7.67 -3.78 -2
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125303 50918944 1 BrReO3H10C14 ABC3D10E14 109.93 4.25 -8.24 -2.44 0
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125304 50918947 1 BrNO2H8C9 ABC2D8E9 -37.55 5.14 -7.96 -1.58 0
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125305 50918964 2 NC5H8 AB5C8 67.37 0.72 -8.96 0.56 -2
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125307 50919066 1 NO2C13H13 AB2C13D13 13.46 2.73 -9.79 -1.3 0
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125308 50919133 1 BrSN2O3C21H23 ABC2D3E21F23 -71.91 3.77 -9.02 -1.01 0
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125309 50919215 1 O2N5H15C21 A2B5C15D21 107.09 6.22 -10.17 -0.9 0
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125310 50919328 1 Cl2N10O33C95H102 A2B10C33D95E102 -1201.4 22.15 -7.83 -1.88 1
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125311 50919563 1 CoN4O4C6H22 AB4C4D6E22 -213.38 11.54 0.0 0.0 -4
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125312 50919568 2 ClPtN3C4H13 ABC3D4E13 -0.22 6.71 -8.79 -1.22 0
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125313 50919649 1 FeO48C120H174 AB48C120D174 -1939.38 20.33 -7.2 -1.86 2
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125314 50919706 1 NiN2O8C10H16 AB2C8D10E16 -217.06 7.87 -7.37 -1.8 9
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125317 50919714 1 CoS3N9C33H44 AB3C9D33E44 31.78 5.31 -10.38 -3.56 4
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125318 50919750 1 NiO4F14C20H26 AB4C14D20E26 -715.03 3.57 -7.76 -1.63 4
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125319 50919885 1 CuO6C26H38 AB6C26D38 -168.43 4.92 0.0 0.0 0
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125320 50919959 1 PLi2N4C8O9H11 AB2C4D8E9F11 -408.03 2.77 -9.72 -0.83 0
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125322 50919961 1 NiN4S4C22H28 AB4C4D22E28 184.21 3.74 -7.64 -0.9 3
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125323 50919962 1 CuOSN4C10H11 ABCD4E10F11 353.38 24.38 -8.15 -2.51 3
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125325 50920040 1 OZnN6C40H52 ABC6D40E52 201.9 29.13 -6.04 -2.25 2