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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139213 52492842 1 O3N4C17H20 A3B4C17D20 -28.26 14.81 -7.9 -0.4 0
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139214 52492966 1 OSN4C20H22 ABC4D20E22 36.31 8.92 -8.84 -0.6 0
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139215 52493090 1 N3O4C22H23 A3B4C22D23 -126.72 3.09 -9.83 -1.89 0
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139216 52493127 1 OS2N6H16C21 AB2C6D16E21 159.74 6.19 -8.87 -1.34 0
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139217 52493128 1 OS2N6H16C21 AB2C6D16E21 164.36 9.28 -9.41 -1.42 0
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139218 52493134 1 SN3O4C13H21 AB3C4D13E21 -134.96 6.01 -8.52 -0.32 0
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139219 52493135 1 SN3O4C14H23 AB3C4D14E23 -148.2 4.25 -8.95 -0.57 0
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139220 52493136 1 SN4O4C20H24 AB4C4D20E24 -49.92 5.11 -8.96 -0.53 0
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139221 52493615 1 SN2O4C17H24 AB2C4D17E24 -134.28 3.78 -8.9 -1.26 2
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139222 52493649 1 O2N3C13H29 A2B3C13D29 -122.65 4.44 -9.18 0.91 0
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139223 52494053 1 N2O5C25H28 A2B5C25D28 -153.1 3.17 -8.38 -0.02 0
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139224 52494542 1 SN3O3C20H23 AB3C3D20E23 -40.55 8.42 -8.35 -0.81 1
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139225 52494587 1 O3N5C20H28 A3B5C20D28 -80.95 6.03 0.0 0.0 0
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139226 52494632 1 O3N4C22H34 A3B4C22D34 -106.56 4.19 -8.28 0.28 0
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139227 52494633 1 Cl2O2N3C19H19 A2B2C3D19E19 -72.06 7.47 -8.89 -0.42 1
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139228 52494634 1 ON4C20H27 AB4C20D27 -9.69 3.21 0.0 0.0 0
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139229 52494635 1 OSN2C16H16 ABC2D16E16 29.55 3.02 -8.47 -0.4 1
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139230 52494636 1 SN3O3C23H28 AB3C3D23E28 -50.2 4.82 0.0 0.0 0
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139231 52494784 2 ON3C10H11 AB3C10D11 23.94 3.71 -8.35 -1.33 1
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139232 52495197 1 SN2O4C15H23 AB2C4D15E23 -143.6 3.47 0.0 0.0 1
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139233 52495839 1 ON2F3C20H26 AB2C3D20E26 -176.07 5.93 0.0 0.0 0
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139234 52495840 1 ON2F3C20H25 AB2C3D20E25 -194.82 2.65 -9.15 -0.51 2
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139235 52496270 1 O2N7C22H33 A2B7C22D33 66.87 50.02 -3.71 -2.27 0
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139236 52496406 1 SN3O3C20H27 AB3C3D20E27 -89.3 7.14 -9.22 -1.04 0
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139237 52496636 1 ClNO4C19H20 ABC4D19E20 -124.55 2.65 -8.6 -0.35 0
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139238 52496637 1 N3O4C22H27 A3B4C22D27 -121.64 4.74 -8.42 0.2 1
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139239 52497165 1 ON4C20H29 AB4C20D29 -1.36 9.13 0.0 0.0 0
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139240 52497482 1 OSN3C20H21 ABC3D20E21 24.0 7.19 -8.26 -0.52 0
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139241 52497483 1 O4N5C22H25 A4B5C22D25 -65.4 5.45 -9.3 -0.68 0
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139242 52497588 1 ClO2N3C20H24 AB2C3D20E24 -37.08 5.45 -9.48 -0.96 0
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139243 52497589 1 ClO2N3C20H24 AB2C3D20E24 -37.25 5.41 -9.47 -0.97 0
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139244 52497590 1 ClO2N3C20H24 AB2C3D20E24 -37.15 5.46 -9.47 -0.96 0
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139245 52497591 1 ClO2N3C20H24 AB2C3D20E24 -36.65 5.27 -9.51 -0.95 0
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139246 52497592 1 N2S2O3C19H28 A2B2C3D19E28 -119.92 7.3 -9.04 -0.54 0
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139247 52497593 1 N2S2O3C19H28 A2B2C3D19E28 -120.53 8.52 -9.24 -0.95 0
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139248 52497594 1 SN3O4C24H33 AB3C4D24E33 -136.75 1.35 -8.06 -0.77 0
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139249 52497595 1 SN3O4C24H33 AB3C4D24E33 -134.68 5.4 -8.37 -0.67 0
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139250 52498187 1 FSCl2O2H15C16 ABC2D2E15F16 -91.39 1.5 -8.83 -0.54 0
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139251 52498374 1 OF2N3C19H19 AB2C3D19E19 -53.4 7.07 -8.89 -0.55 -1
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139252 52498486 1 O4N5H14C19 A4B5C14D19 13.27 5.69 0.0 0.0 0
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139253 52498585 1 SO2N6C21H30 AB2C6D21E30 -42.0 3.88 -8.59 -0.71 1
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139254 52498819 1 OSN3C18H26 ABC3D18E26 -15.83 4.91 0.0 0.0 0
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139255 52499260 1 SO2N3C20H33 AB2C3D20E33 -101.85 3.31 -8.55 -0.05 0
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139256 52499279 1 SN3O3C18H29 AB3C3D18E29 -126.5 10.85 -8.99 -0.42 0
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139257 52499533 2 NO3C11H17 AB3C11D17 -270.31 4.43 -9.4 -1.22 0
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139258 52499898 1 OSCl2N2C18H18 ABC2D2E18F18 6.4 4.86 -8.13 -0.17 0
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139259 52500244 1 N2O3S3C13H24 A2B3C3D13E24 -129.54 7.01 -8.04 -0.18 0
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139260 52500245 1 N2O3S3C13H24 A2B3C3D13E24 -132.82 8.16 -8.46 -0.34 0
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139261 52500246 1 N2O3S3C13H24 A2B3C3D13E24 -123.73 10.26 -8.25 -0.74 0
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139262 52500934 1 SO3N5C24H31 AB3C5D24E31 -4.87 7.49 -8.69 -1.35 1
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139263 52500935 1 SO3N5C24H32 AB3C5D24E32 1.52 9.3 0.0 0.0 0
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139264 52500956 1 N2O4C27H28 A2B4C27D28 -96.69 6.38 -8.87 -0.37 0
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139265 52500957 1 N2O4C27H28 A2B4C27D28 -95.32 1.92 -8.8 -0.44 1
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139266 52500958 1 N2O2C23H27 A2B2C23D27 -13.93 16.88 0.0 0.0 1
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139267 52501343 1 N3O5C24H34 A3B5C24D34 -149.16 11.69 0.0 0.0 0
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139268 52501367 1 SN3O4C18H27 AB3C4D18E27 -168.02 5.57 -9.27 -0.54 0
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139269 52501392 1 S2N4O5C17H26 A2B4C5D17E26 -196.28 11.99 -9.0 -0.28 0
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139270 52501707 1 BrON6H19C20 ABC6D19E20 116.7 7.76 -9.3 -1.38 0
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139271 52501708 1 BrON6H19C20 ABC6D19E20 119.38 4.18 -9.4 -1.21 1
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139272 52501709 1 FSN3O4C21H27 ABC3D4E21F27 -155.2 7.36 0.0 0.0 0
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139273 52501710 1 FSN3O4C21H26 ABC3D4E21F26 -180.33 3.02 -8.85 -0.83 0
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139274 52501711 2 ON2C9H11 AB2C9D11 -39.66 6.85 -9.2 0.1 0
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139275 52501712 2 ON2C9H11 AB2C9D11 -38.68 5.35 -9.38 0.11 0
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139276 52501713 1 BrFNOH15C20 ABCDE15F20 -11.71 4.73 -9.48 -0.64 1
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139277 52501812 1 OSN4C21H27 ABC4D21E27 72.86 4.66 0.0 0.0 0
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139278 52501964 1 ON4C25H36 AB4C25D36 -22.59 2.19 -8.68 0.25 0
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139279 52501997 1 FN4O5H21C23 AB4C5D21E23 -48.28 5.81 -9.44 -1.37 0
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139280 52502163 1 O2N3C14H21 A2B3C14D21 -48.78 3.17 -8.56 0.25 1
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139281 52502164 1 ON4C7H15 AB4C7D15 -30.33 3.65 0.0 0.0 1
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139282 52502165 1 SN4C8H15 AB4C8D15 44.65 1.84 0.0 0.0 0
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139283 52502604 1 ON5C22H25 AB5C22D25 69.73 3.28 -8.79 -0.8 0
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139284 52502709 1 SN2O5C19H20 AB2C5D19E20 -128.72 8.23 -8.59 -1.03 0
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139285 52503277 1 FO2N4C20H25 AB2C4D20E25 -80.25 4.88 -8.98 -1.2 0
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139286 52503475 1 SF2O2N5H15C16 AB2C2D5E15F16 -103.09 4.81 -8.71 -1.52 0
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139287 52504388 1 FN3O3C21H24 AB3C3D21E24 -144.45 5.57 -8.7 0.01 0
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139288 52504406 2 N2O2C11H16 A2B2C11D16 -151.43 8.89 -8.88 -0.14 0
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139289 52504600 1 OCl2N5C15H17 AB2C5D15E17 53.8 7.6 -9.77 -0.7 0
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139290 52504731 1 BrON4H15C16 ABC4D15E16 48.01 5.03 -9.47 -1.34 1
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139291 52504732 1 O3N4C24H27 A3B4C24D27 -27.86 4.67 0.0 0.0 0
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139292 52504733 1 OSN4C20H20 ABC4D20E20 99.98 5.29 -9.04 -0.7 0
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139293 52504734 1 OSN4C20H20 ABC4D20E20 101.14 6.32 -9.2 -0.82 0
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139294 52504845 1 O2N4C21H30 A2B4C21D30 -51.0 2.49 -8.38 -0.21 1
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139295 52504856 3 NOC9H12 ABC9D12 -74.1 11.59 0.0 0.0 0
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139296 52504857 1 N3O3C27H35 A3B3C27D35 -88.25 5.48 -8.54 -0.76 0
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139297 52505649 1 SN2O3C25H28 AB2C3D25E28 -87.99 5.78 -8.75 -1.25 1
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139298 52505650 1 O2N5C19H30 A2B5C19D30 -25.87 4.98 0.0 0.0 1
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139299 52506202 1 SF3N3O5C15H21 AB3C3D5E15F21 -243.06 7.84 0.0 0.0 0
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139300 52506795 1 ClON4C18H27 ABC4D18E27 -37.04 4.87 -8.72 -0.46 0
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139301 52506953 1 FN3O3H18C19 AB3C3D18E19 -75.47 4.4 -9.17 -0.92 0
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139302 52507067 1 O2N5C20H23 A2B5C20D23 -14.74 6.64 -9.31 -0.52 1
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139303 52507076 1 SO2N5C15H24 AB2C5D15E24 6.94 9.83 0.0 0.0 0
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139304 52507220 1 O3N4H18C19 A3B4C18D19 -40.23 8.91 -8.69 -0.44 -1
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139305 52507221 1 SN4O5H17C21 AB4C5D17E21 -29.1 9.51 0.0 0.0 0
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139306 52507222 1 OSF2N4H22C25 ABC2D4E22F25 -23.87 4.82 -8.98 -0.65 1
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139307 52507284 3 N2C7H9 A2B7C9 114.07 6.46 0.0 0.0 0
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139308 52507285 1 N6C21H26 A6B21C26 91.06 5.8 -8.41 -0.66 0
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139309 52507938 1 N4O5C25H28 A4B5C25D28 -128.92 2.94 -8.33 -1.06 0
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139310 52507988 1 FO2N3C21H32 AB2C3D21E32 -152.87 5.72 -9.47 -0.12 0
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139311 52508014 1 N3O4C19H25 A3B4C19D25 -180.89 2.99 -9.68 -1.19 0
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139312 52508015 1 N3O4C19H25 A3B4C19D25 -180.44 5.77 -9.61 -1.19 1