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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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318193 126649486 1 N2F3O3H13C19 A2B3C3D13E19 -191.31 3.48 -9.37 -1.49 0
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318195 126649513 1 BrN4C5H7 AB4C5D7 26.5 0.99 -8.58 -0.28 0
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318196 126649519 1 ON8H22C27 AB8C22D27 159.09 2.78 -8.32 -1.0 0
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318197 126649521 1 NO5C31H41 AB5C31D41 -159.49 5.03 -8.97 -0.32 0
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318201 126649538 1 NO7C12H13 AB7C12D13 -280.04 7.22 -10.54 -1.55 0
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318202 126649541 1 ON9C22H25 AB9C22D25 117.96 7.73 -8.8 -0.85 0
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318203 126649552 1 ON10C22H22 AB10C22D22 140.8 9.68 -8.94 -0.82 0
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318204 126649556 2 O2C23H33 A2B23C33 -140.06 2.05 -8.98 0.09 0
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318205 126649560 1 N2O4C19H24 A2B4C19D24 -150.4 10.66 -9.64 -0.86 0
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318210 126649600 1 NO3C12H15 AB3C12D15 -118.18 3.45 -9.69 -0.09 0
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318211 126649602 1 NF2O4C15H17 AB2C4D15E17 -268.33 5.94 -10.22 -0.94 0
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318212 126649603 2 N4H6C7 A4B6C7 181.16 3.69 -9.09 -1.02 0
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318213 126649604 1 N4O4C23H24 A4B4C23D24 -64.29 5.52 -9.02 -0.61 0
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318214 126649611 1 O4N7C29H35 A4B7C29D35 -26.61 5.38 -8.19 -0.72 0
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318215 126649655 1 F3N3O4C24H30 A3B3C4D24E30 -310.23 2.31 -9.59 -0.61 0
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318216 126649656 1 F2N4O6C21H24 A2B4C6D21E24 -274.61 9.19 -9.38 -1.27 0
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318217 126649659 1 N8H18C23 A8B18C23 212.83 5.07 -9.06 -0.92 0
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318218 126649674 1 ON4C20H20 AB4C20D20 23.96 4.14 -8.65 -0.27 0
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318219 126649714 2 ON4C10H11 AB4C10D11 59.28 8.0 -8.88 -0.78 0
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318220 126649716 1 N7H15C19 A7B15C19 177.98 3.65 -8.92 -0.92 0
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318221 126649719 1 ClN7H18C22 AB7C18D22 170.94 4.21 -9.01 -0.87 0
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318222 126649720 1 ON8C21H24 AB8C21D24 111.23 5.19 -9.01 -0.85 0
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318223 126649731 1 ClN9H54C64 AB9C54D64 350.87 4.78 -8.64 -0.3 0
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318224 126649747 1 NO3C13H17 AB3C13D17 -108.84 7.78 -8.99 -0.05 0
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318226 126649808 1 ON8C21H24 AB8C21D24 112.19 7.21 -8.94 -0.8 0
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318227 126649847 2 N4C11H13 A4B11C13 139.61 6.02 -8.88 -0.82 0
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318228 126649867 1 NSO4F9H16C28 ABC4D9E16F28 -486.6 10.33 -9.66 -1.26 0
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318229 126649873 1 BrO2F3C10H10 AB2C3D10E10 -227.5 5.32 -9.61 -0.73 0
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318230 126649881 1 ON2H12C15 AB2C12D15 56.13 6.12 -9.23 -0.9 0
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318231 126649912 2 N4C10H11 A4B10C11 142.65 5.06 -9.0 -0.86 0
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318232 126649939 2 O2C28H43 A2B28C43 -244.14 4.13 -9.26 0.0 0
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318233 126649947 1 N9H23C26 A9B23C26 199.72 8.66 -8.39 -0.51 0
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318234 126649963 1 SN2O4F8H16C26 AB2C4D8E16F26 -422.75 8.84 -9.78 -1.41 0
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318235 126649969 2 OC10H14 AB10C14 -65.37 5.51 -9.17 -0.49 0
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318236 126649971 1 N5C21H23 A5B21C23 98.46 4.66 -8.44 -0.6 0
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318237 126649972 1 OF2N7H15C17 AB2C7D15E17 10.12 3.87 -9.02 -0.88 0
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318238 126649975 1 NO5C20H21 AB5C20D21 -168.63 6.27 -9.32 -1.0 0
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318239 126649976 1 SO6F8H16C25 AB6C8D16E25 -522.85 7.78 -9.71 -1.35 0
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318240 126649978 1 NO4C12H15 AB4C12D15 -153.13 6.2 -9.32 -0.14 0
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318242 126650034 1 ON4C19H20 AB4C19D20 32.23 1.68 -8.28 0.13 0
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318244 126650039 1 SO12C38H42 AB12C38D42 -401.36 3.46 -8.33 -0.54 0
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318245 126650040 1 NO6C12H13 AB6C12D13 -233.04 3.94 -10.45 -1.83 0
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318249 126650099 1 SN2O4F8H14C25 AB2C4D8E14F25 -414.63 7.54 -9.74 -1.44 1
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318250 126650104 1 NO6C11H12 AB6C11D12 -211.92 7.05 0.0 0.0 0
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318253 126650108 1 NO6C12H13 AB6C12D13 -236.0 6.84 -9.99 -0.46 0
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318254 126650109 1 SN2F4O5H22C25 AB2C4D5E22F25 -333.42 3.35 -9.26 -0.96 0
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318255 126650110 1 NO4H7C9 AB4C7D9 -143.41 5.39 -9.79 -1.44 0
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318256 126650119 1 SO4F9H19C26 AB4C9D19E26 -534.62 8.81 -9.7 -1.34 0
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318258 126650126 1 SO3F4N4H20C25 AB3C4D4E20F25 -206.81 6.69 -9.4 -1.22 0
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318259 126650127 1 O3N4C12H20 A3B4C12D20 -70.04 5.68 -9.93 -1.19 0
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318260 126650128 1 N2O2C21H22 A2B2C21D22 14.86 2.08 -8.87 -0.7 0
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318261 126650130 1 SN3F4O5H21C23 AB3C4D5E21F23 -314.73 6.29 -9.37 -0.96 0
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318262 126650161 1 S2N3O3F4H19C25 A2B3C3D4E19F25 -222.02 8.12 -9.35 -1.13 0
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318263 126650166 1 SF3O3N6H19C22 AB3C3D6E19F22 -125.33 7.6 -8.74 -1.21 0
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318264 126650167 1 ON3C17H21 AB3C17D21 6.76 3.03 -8.4 -0.8 0
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318265 126650168 1 ON3C17H23 AB3C17D23 -2.39 1.5 -7.76 -0.27 0
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318266 126650169 1 SN2F4O4H18C22 AB2C4D4E18F22 -289.02 7.9 -9.34 -1.06 0
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318268 126650173 1 ClN3O4H16C18 AB3C4D16E18 -97.93 5.93 -9.13 -1.06 0
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318269 126650174 2 O2C26H39 A2B26C39 -223.7 8.38 -9.17 0.13 0
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318271 126650177 1 ClN4O5C22H23 AB4C5D22E23 -152.33 6.22 -8.93 -0.61 0
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318274 126650183 1 ClFO3N4H24C25 ABC3D4E24F25 -67.42 2.8 -9.26 -1.07 0
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318275 126650188 1 N2O3C21H24 A2B3C21D24 -70.57 6.42 -8.78 -0.41 0
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318277 126650235 1 ClFNO2H17C18 ABCD2E17F18 -93.21 5.04 -9.01 -0.58 0
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318278 126650242 1 SF3O3N6H17C22 AB3C3D6E17F22 -123.93 4.38 -9.43 -1.44 0
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318279 126650249 1 ClN2O3C17H21 AB2C3D17E21 -94.76 2.43 -9.03 -0.24 0
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318280 126650253 1 ClFN3O4C23H25 ABC3D4E23F25 -153.45 0.9 -8.95 -0.66 0
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318281 126650256 1 NSO4F8H13C22 ABC4D8E13F22 -464.72 7.67 -9.16 -1.42 0
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318282 126650257 1 N3O3C8H11 A3B3C8D11 -95.55 6.72 -9.87 0.12 0
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318284 126650263 1 IF3H3N3C7 AB3C3D3E7 -42.2 1.71 -9.63 -1.43 0
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318285 126650340 1 ClF3O3N4H14C19 AB3C3D4E14F19 -179.91 4.36 -9.33 -1.27 0
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318286 126650349 1 ON6H20C21 AB6C20D21 89.28 0.94 -9.17 -1.07 0
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318287 126650351 1 SF3O3N6H19C22 AB3C3D6E19F22 -127.29 10.31 -8.9 -0.81 0
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318288 126650352 1 SO3F4N4H18C25 AB3C4D4E18F25 -190.79 7.57 -9.49 -1.27 0
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318290 126650354 1 ON4C14H18 AB4C14D18 24.15 0.9 -7.84 -0.31 0
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318291 126650355 1 ClO2N3C10H12 AB2C3D10E12 -51.17 0.75 -9.63 -0.92 0
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318296 126650386 1 N2O5C23H26 A2B5C23D26 -170.38 7.52 -8.83 -0.29 0
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318297 126650389 1 N2O5C23H26 A2B5C23D26 -163.68 11.3 -9.08 -0.52 0
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318298 126650390 1 NO5C17H25 AB5C17D25 -210.41 4.89 -9.18 -0.09 0
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318299 126650393 1 ON2F3C15H15 AB2C3D15E15 -170.34 5.41 -8.94 -0.37 0
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318300 126650395 1 N2O3C20H20 A2B3C20D20 -39.32 7.62 -9.25 -1.43 0
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318301 126650396 1 ClO2N3C28H30 AB2C3D28E30 -19.85 5.31 -8.92 -0.9 0
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318303 126650398 1 N2O3C20H22 A2B3C20D22 -79.39 5.45 -9.07 -0.53 0
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318306 126650406 1 N3F4O4H11C17 A3B4C4D11E17 -263.21 6.2 -9.64 -1.22 0
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318307 126650411 1 NO5C16H21 AB5C16D21 -207.59 7.12 -8.94 0.07 0
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318308 126650416 1 BrN2O6C26H29 AB2C6D26E29 -236.08 5.24 -9.58 -1.38 0
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318310 126650418 1 BrN2O6C26H29 AB2C6D26E29 -237.62 6.89 -9.62 -1.38 0
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318312 126650441 1 NO4C15H21 AB4C15D21 -169.27 6.39 -9.16 -0.09 0
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318315 126650496 1 ClN2F3O7H26C27 AB2C3D7E26F27 -392.54 5.15 -9.29 -0.96 0
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318317 126650500 1 ClNO2H10C15 ABC2D10E15 -15.61 7.84 -9.73 -1.13 0
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318320 126650507 1 ClN2O4C20H29 AB2C4D20E29 -173.98 3.63 -9.24 -0.22 0
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318323 126650511 1 ON5C22H29 AB5C22D29 56.04 5.4 -9.13 -0.05 0
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318325 126650513 1 SN3O3F5H18C22 AB3C3D5E18F22 -290.5 6.95 -9.5 -1.04 0
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318326 126650516 1 S2O3F4N4H18C24 A2B3C4D4E18F24 -207.1 8.72 -9.33 -1.09 0
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318327 126650517 1 NO4C15H21 AB4C15D21 -158.86 8.6 -9.1 -0.1 0
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318329 126650526 1 SN3O8C27H33 AB3C8D27E33 -324.86 8.28 -9.03 -1.25 0
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318330 126650528 1 ClFN2O8C29H30 ABC2D8E29F30 -317.87 3.56 -9.1 -1.03 0
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318331 126650529 1 O2N5C15H21 A2B5C15D21 -36.15 3.9 -8.46 -0.16 0
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318332 126650530 1 NO4C15H21 AB4C15D21 -162.88 7.0 -8.95 -0.06 0
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318333 126650538 1 SN3F4O4H21C25 AB3C4D4E21F25 -294.27 7.57 -9.36 -1.08 0
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318334 126650539 1 BrClOSN5H13C14 ABCDE5F13G14 52.37 2.42 -8.91 -0.87 0