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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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437232 135216469 1 FO3N5C32H32 AB3C5D32E32 -60.65 1.94 -9.0 -1.03 0
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437233 135216471 1 ClN3C20H26 AB3C20D26 20.79 7.21 -8.79 -0.5 0
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437234 135216472 1 FN3O3C29H34 AB3C3D29E34 -127.07 4.86 -8.89 -0.59 0
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437235 135216474 1 N2O3C29H34 A2B3C29D34 -83.63 5.69 -8.78 -0.27 0
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437236 135216606 1 FO2N4C28H33 AB2C4D28E33 -55.0 5.85 -8.85 -0.73 0
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437237 135216610 1 FO3N6C25H33 AB3C6D25E33 -118.06 5.6 -8.59 -0.52 0
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437238 135216614 1 O2N3C25H35 A2B3C25D35 -85.6 8.33 -9.5 -0.58 0
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437239 135216744 1 ClN3O3C28H32 AB3C3D28E32 -81.61 4.12 -8.89 -0.67 0
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437240 135216746 1 ClFN3O3C28H31 ABC3D3E28F31 -128.9 4.92 -9.08 -0.69 0
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437241 135216749 1 FO2N3C25H34 AB2C3D25E34 -102.5 2.33 -8.67 -0.51 0
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437242 135216886 1 NO3C25H45 AB3C25D45 -134.05 5.7 -9.29 0.95 0
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437243 135216887 1 NC16H25 AB16C25 0.19 1.75 -9.48 0.0 0
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437244 135216890 1 INO6C16H34 ABC6D16E34 -252.28 1.86 -8.99 -1.62 0
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437245 135217434 1 O3N4C24H28 A3B4C24D28 -65.38 5.04 -8.53 -0.6 0
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437246 135217953 1 ClO3N6H13C17 AB3C6D13E17 14.13 8.75 -9.36 -1.67 0
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437247 135218056 1 N9O23C70H91 A9B23C70D91 -842.3 15.05 -8.48 -1.83 0
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437248 135218164 1 NC26H41 AB26C41 -43.13 1.96 -9.13 1.42 0
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437249 135218273 1 O3C10H12 A3B10C12 -115.88 6.01 -10.49 -0.22 0
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437250 135218276 1 ClO2N6C22H23 AB2C6D22E23 20.9 10.88 -9.26 -1.5 0
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437251 135218277 1 ClO2N7C24H26 AB2C7D24E26 0.64 13.7 -8.4 -0.86 0
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437252 135218278 1 ClO2N6H25C29 AB2C6D25E29 47.73 4.7 -9.17 -1.56 0
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437253 135218380 1 N2C61H76 A2B61C76 97.61 4.42 -8.4 0.55 0
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437254 135218666 1 ClN6C12H13 AB6C12D13 92.84 4.41 -8.49 -1.08 0
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437255 135219171 1 BrF2S3N4O4C31H49 AB2C3D4E4F31G49 -175.97 10.56 -7.34 -0.16 0
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437256 135219208 1 OF2N4H30C31 AB2C4D30E31 -58.94 2.77 -8.8 -0.42 0
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437257 135219211 1 F2O2N3H27C36 A2B2C3D27E36 -46.29 6.99 -9.26 -0.6 0
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437258 135219302 1 N3O4H21C26 A3B4C21D26 -43.61 4.2 -8.15 -2.54 0
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437259 135219410 1 OCl2N3C4H7 AB2C3D4E7 -7.04 2.43 -8.67 -0.43 0
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437260 135219473 1 SC36H58 AB36C58 -21.7 2.01 -8.75 0.68 0
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437261 135220178 1 NO4C5H7 AB4C5D7 -155.16 4.19 -10.05 -0.73 0
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437262 135220347 1 O3N7C27H35 A3B7C27D35 -83.72 3.16 -8.17 -0.74 0
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437263 135220377 1 NC12H23 AB12C23 -22.1 1.75 -8.3 1.41 0
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437264 135220394 1 OSN4C32H34 ABC4D32E34 90.49 3.89 -8.14 -0.84 0
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437265 135220434 1 O2N7C23H31 A2B7C23D31 -20.26 6.53 -8.6 -0.54 0
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437266 135220459 1 NO2C16H17 AB2C16D17 -51.21 6.0 -9.17 -0.95 0
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437267 135220475 1 FSN3O3C11H12 ABC3D3E11F12 -108.02 7.31 -9.12 -0.75 0
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437268 135220606 1 FO2N4H19C20 AB2C4D19E20 -42.33 6.07 -8.86 -0.19 0
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437269 135220684 1 O3N4C20H28 A3B4C20D28 -121.23 5.91 -8.76 -0.48 0
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437270 135220685 1 F2O2N5H17C23 A2B2C5D17E23 -29.48 10.53 -9.13 -1.03 0
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437271 135220716 1 FO2N4H17C19 AB2C4D17E19 -39.5 5.85 -8.93 -0.24 0
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437272 135220806 1 SO4N6C26H36 AB4C6D26E36 -72.21 5.83 -8.39 -0.76 1
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437273 135220855 1 ClO2N8C23H28 AB2C8D23E28 166.19 10.39 0.0 0.0 0
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437274 135221049 1 NS2O8C11H13 AB2C8D11E13 -274.72 8.45 -10.79 -1.54 0
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437275 135221101 1 CaO5C6H8 AB5C6D8 -273.74 6.2 -9.24 0.17 0
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437276 135221106 1 MgO5C6H10 AB5C6D10 -237.78 10.43 -7.06 -0.65 0
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437277 135221186 1 ClNO3H14C18 ABC3D14E18 -64.44 4.23 -9.31 -1.2 0
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437278 135221301 1 LiC3N3S3H5 AB3C3D3E5 26.88 9.37 0.0 0.0 0
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437279 135221332 1 ClISN5H11C13 ABCD5E11F13 143.3 4.68 -7.99 -2.02 0
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437280 135221333 1 ISF3N5H11C14 ABC3D5E11F14 -25.25 15.2 -7.69 -1.82 0
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437281 135221364 1 O3N5C11H13 A3B5C11D13 19.16 4.68 -8.94 -1.18 0
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437282 135221365 1 O3N5C11H13 A3B5C11D13 16.48 3.4 -9.01 -1.25 0
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437283 135221500 1 NO2C14H15 AB2C14D15 -53.17 6.19 -9.19 -0.81 0
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437284 135221535 1 N2O5C9H20 A2B5C9D20 -156.63 4.12 -8.9 0.84 0
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437285 135221545 1 O2N3F6C27H31 A2B3C6D27E31 -384.27 9.17 -8.6 -0.58 0
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437286 135221639 1 F2O4N6H26C31 A2B4C6D26E31 -134.42 3.76 -8.89 -0.74 0
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437287 135221753 1 SO3N5H23C25 AB3C5D23E25 -13.9 6.28 -8.44 -0.99 0
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437288 135221761 1 O5C11H18 A5B11C18 -210.36 2.9 -10.5 0.0 0
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437289 135221762 1 SO3N5H25C26 AB3C5D25E26 -18.11 6.42 -8.52 -1.05 0
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437290 135221763 1 SO3N5C22H25 AB3C5D22E25 -53.72 5.65 -8.29 -1.19 0
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437291 135221773 1 SO2N5C22H25 AB2C5D22E25 -38.17 8.71 -8.24 -0.46 0
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437292 135221813 1 SO2N5C21H21 AB2C5D21E21 21.38 4.63 -8.6 -0.98 0
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437293 135221949 1 NSH15C17 ABC15D17 87.23 3.31 -9.2 -0.56 0
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437294 135221965 1 NS3H15C19 AB3C15D19 121.67 5.4 -8.97 -0.95 0
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437295 135221970 1 N4C47H72 A4B47C72 -22.67 0.89 -8.18 -0.23 0
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437296 135222064 1 O2S2N5C19H23 A2B2C5D19E23 -0.58 3.93 -9.06 -1.12 0
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437297 135222153 2 SF5N5O6H16C18 AB5C5D6E16F18 -748.92 6.82 -8.96 -1.13 0
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437298 135222164 2 O4C27H39 A4B27C39 -390.41 3.49 -8.73 -1.01 0
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437299 135222199 1 BrNOC14H20 ABCD14E20 -32.56 2.77 -8.13 -0.88 0
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437300 135222219 1 SO2N3C9H15 AB2C3D9E15 -62.67 3.97 -9.03 -0.62 0
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437301 135222221 1 BrO2F3C13H14 AB2C3D13E14 -211.22 3.85 -10.04 -0.78 0
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437302 135222222 1 BrO3C12H15 AB3C12D15 -99.98 2.31 -8.78 -0.91 0
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437303 135222223 1 BrNO2C14H16 ABC2D14E16 -37.28 5.2 -9.97 -0.89 0
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437304 135222365 1 BrO2C14H19 AB2C14D19 -80.65 2.31 -9.16 -0.9 0
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437305 135222592 1 SO3N4C18H22 AB3C4D18E22 -59.43 3.59 -9.63 -0.96 0
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437306 135222621 1 SN4O5C22H22 AB4C5D22E22 -123.18 7.76 -9.7 -0.82 0
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437307 135222737 1 SO2C10H16 AB2C10D16 -81.24 3.28 -9.91 -0.44 0
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437308 135222967 1 N3O3C16H17 A3B3C16D17 -77.07 2.31 -9.08 -0.68 0
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437309 135222982 1 O3N4C15H18 A3B4C15D18 -91.53 2.49 -9.28 -0.63 0
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437310 135223117 1 SO3N4H24C26 AB3C4D24E26 -17.31 6.07 -8.48 -0.34 0
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437311 135223203 1 ClSO3N4H19C23 ABC3D4E19F23 -12.48 10.03 -9.22 -0.52 0
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437312 135223204 1 SN2O3C17H20 AB2C3D17E20 -90.78 4.38 -8.32 -0.51 0
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437313 135223216 1 NOC13H17 ABC13D17 -29.45 3.93 -9.53 0.23 0
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437314 135223217 1 NO3C14H17 AB3C14D17 -106.8 4.93 -9.14 -0.03 0
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437315 135223324 1 NO4C22H27 AB4C22D27 -130.45 3.46 -9.03 -0.39 0
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437316 135223326 1 BrFN3C12H13 ABC3D12E13 -7.58 3.14 -8.79 -0.3 0
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437317 135223327 1 O6C15H20 A6B15C20 -222.69 2.83 -9.01 -0.32 0
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437318 135223331 1 ClSO3N4H15C17 ABC3D4E15F17 -36.99 7.73 -9.44 -0.69 0
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437319 135223334 1 ON6C20H20 AB6C20D20 75.26 4.01 -8.05 -0.14 0
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437320 135223437 1 SO3N5H19C22 AB3C5D19E22 6.96 12.63 -9.51 -0.62 0
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437321 135223440 1 O4C11H12 A4B11C12 -152.26 7.22 -9.82 -0.99 0
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437322 135223449 1 FNO3C15H16 ABC3D15E16 -135.92 7.45 -9.15 -0.92 0
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437323 135223451 1 ClF2N6H15C18 AB2C6D15E18 9.76 3.0 -9.01 -0.76 0
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437324 135223570 2 NOC6H6 ABC6D6 -7.25 12.32 -8.21 -1.12 0
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437325 135223578 1 N4O33C59H112 A4B33C59D112 -1479.63 8.77 -8.6 -1.09 0
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437326 135223958 1 SN3O7C30H33 AB3C7D30E33 -197.69 3.49 -8.48 -0.86 0
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437327 135224173 1 NO3C21H41 AB3C21D41 -221.42 3.69 -9.53 0.9 0
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437328 135224234 1 O5C18H24 A5B18C24 -192.05 3.66 -8.65 0.04 0
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437329 135224297 1 O3C21H34 A3B21C34 -108.6 2.45 -9.29 -0.34 0
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437330 135224463 1 OF2N9C32H33 AB2C9D32E33 56.03 7.15 -8.24 -2.03 0
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437331 135224789 1 INOC8H10 ABCD8E10 -7.68 2.34 -9.1 -1.16 0