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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402444 135055983 1 CoSiO3C30H42 ABC3D30E42 -85.23 20.33 0.0 0.0 0
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402445 135055994 1 PN2O6C20H31 AB2C6D20E31 -315.36 2.37 -8.44 0.46 0
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402446 135055996 1 BrFNO4C22H23 ABCD4E22F23 -187.53 2.74 -8.79 -0.4 0
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402447 135055999 1 ON2C26H26 AB2C26D26 45.17 2.98 -8.15 0.03 0
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402448 135056003 1 NC9H15 AB9C15 11.51 1.66 -9.11 0.85 0
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402449 135056008 1 N2O5C12H22 A2B5C12D22 -225.4 1.21 -9.85 -0.22 0
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402450 135056009 2 NO3C10H14 AB3C10D14 -171.73 4.99 -9.66 -1.04 0
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402451 135056013 1 SO2C21H24 AB2C21D24 -59.29 1.06 -8.59 -0.44 0
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402452 135056014 1 NOC16H27 ABC16D27 -66.94 3.19 -8.36 0.45 0
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402453 135056015 1 NOH23C24 ABC23D24 19.93 3.89 -8.28 0.11 0
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402454 135056021 1 O2C17H24 A2B17C24 -103.24 4.49 -9.42 0.11 1
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402455 135056023 1 N2O3C8H15 A2B3C8D15 -90.73 3.86 0.0 0.0 0
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402456 135056031 1 PO8C14H21 AB8C14D21 -392.63 5.92 -9.49 -0.85 0
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402457 135056035 1 SN4O6C23H28 AB4C6D23E28 -91.86 10.8 -8.22 -1.61 0
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402458 135056037 1 NPO4C28H36 ABC4D28E36 -189.26 3.64 -9.03 0.08 0
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402459 135056039 1 O7C25H32 A7B25C32 -299.88 2.8 -9.02 -0.59 0
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402460 135056041 1 NO2H23C28 AB2C23D28 34.25 4.85 -8.7 -0.38 0
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402461 135056048 1 NO6C24H35 AB6C24D35 -310.15 3.04 -9.08 0.17 0
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402462 135056049 1 O2H20C23 A2B20C23 -9.65 1.24 -9.46 -0.5 0
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402463 135056053 1 O2C17H22 A2B17C22 -82.68 1.49 -9.78 -0.6 0
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402464 135056060 1 NSO2C21H25 ABC2D21E25 -43.38 1.78 -8.52 -0.01 0
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402465 135056066 1 NO3C13H15 AB3C13D15 -14.91 3.9 -9.92 -0.76 0
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402466 135056081 1 SN2O7C17H26 AB2C7D17E26 -244.03 5.62 -9.7 -0.29 0
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402467 135056090 1 SO3H12C16 AB3C12D16 -19.5 3.19 -8.48 -0.66 0
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402468 135056091 1 NSO4H13C18 ABC4D13E18 5.21 4.42 -8.74 -1.6 0
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402470 135056112 1 O5H28C49 A5B28C49 43.37 1.72 -8.42 -1.71 0
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402471 135056117 1 O5C19H24 A5B19C24 -180.08 7.61 -9.69 -0.73 0
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402472 135056127 1 O3C16H16 A3B16C16 -80.61 1.67 -9.31 -0.54 0
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402473 135056131 1 O4C17H22 A4B17C22 -163.68 2.1 -9.15 -0.09 0
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402474 135056132 1 O2C13H18 A2B13C18 -41.38 3.15 -9.28 -0.25 0
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402475 135056135 1 OC17H20 AB17C20 -7.18 2.44 -9.05 0.22 0
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402476 135056136 1 NSO3C18H23 ABC3D18E23 -103.22 3.47 -9.02 -0.34 0
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402477 135056142 1 N2O5C13H24 A2B5C13D24 -236.25 2.26 -9.51 -0.13 0
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402478 135056143 3 NO2C7H11 AB2C7D11 -271.94 3.46 -9.56 -0.26 0
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402479 135056144 1 NSO2C19H25 ABC2D19E25 -45.12 5.46 -8.9 -0.29 0
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402480 135056150 1 NO2C17H17 AB2C17D17 -29.83 3.03 -9.05 -0.15 0
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402481 135056151 1 NF3O3C21H22 AB3C3D21E22 -213.04 5.08 -9.21 -0.23 0
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402482 135056152 1 NOF3C18H18 ABC3D18E18 -149.88 5.15 -9.23 -0.88 0
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402483 135056155 1 NO2F3C17H20 AB2C3D17E20 -194.93 6.18 -9.25 -0.28 0
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402484 135056156 1 SN2O4H20C22 AB2C4D20E22 15.49 4.25 -9.62 -1.84 0
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402485 135056163 1 FNOH20C24 ABCD20E24 -0.93 3.41 -8.81 -0.16 0
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402486 135056169 2 C8H9 A8B9 16.74 1.25 -8.56 -0.18 0
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402487 135056172 1 O3C14H22 A3B14C22 -149.26 1.8 -9.86 0.53 0
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402488 135056173 1 FNS2O3C19H24 ABC2D3E19F24 -123.14 6.03 -8.31 -0.57 0
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402489 135056177 1 FN2O3C16H17 AB2C3D16E17 -146.19 5.43 -9.5 -1.46 0
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402490 135056178 1 ClFNC5H13 ABCD5E13 -108.72 4.85 -10.55 1.98 0
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402491 135056181 1 FN2S2O3C30H39 AB2C2D3E30F39 -103.21 6.37 -8.54 -0.34 0
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402492 135056184 1 N3O4C22H29 A3B4C22D29 -120.66 4.03 -8.82 -0.04 0
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402493 135056185 1 NO3C25H25 AB3C25D25 -41.76 3.72 -8.76 -0.67 0
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402494 135056186 1 NO4C20H23 AB4C20D23 -123.64 3.11 -8.74 -0.77 0
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402495 135056188 1 FNO3H18C19 ABC3D18E19 -132.51 3.51 -9.49 -0.33 0
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402496 135056189 1 FH17C21 AB17C21 17.91 1.61 -8.84 -0.42 0
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402497 135056190 1 FNS2O3C18H22 ABC2D3E18F22 -115.51 8.16 -8.57 -0.25 0
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402498 135056192 1 FNS2O4C20H26 ABC2D4E20F26 -164.54 6.87 -8.24 -0.54 0
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402499 135056195 1 OSC22H22 ABC22D22 12.47 1.84 -8.66 -0.28 0
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402500 135056199 1 FNS2O4C17H22 ABC2D4E17F22 -157.78 7.51 -8.2 -0.77 0
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402501 135056201 1 FO2C13H13 AB2C13D13 -104.19 3.58 -10.11 -0.65 0
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402502 135056203 1 FN2S2O3C20H27 AB2C2D3E20F27 -118.23 4.09 -8.07 -0.63 0
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402503 135056207 1 NO2C18H19 AB2C18D19 -43.71 4.69 -8.47 -0.02 0
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402504 135056215 1 BrSO2C12H13 ABC2D12E13 -61.98 3.49 -9.7 -1.24 0
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402505 135056221 1 FNCl2H12C14 ABC2D12E14 -20.86 2.82 -8.66 -0.4 0
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402506 135056222 1 BrNOC16H18 ABCD16E18 2.07 3.81 -7.92 0.01 0
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402507 135056230 1 NO15C41H67 AB15C41D67 -658.85 6.66 -9.04 0.01 0
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402508 135056231 1 ClS2O6C10H13 AB2C6D10E13 -251.35 1.37 -9.61 -0.4 0
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402509 135056238 1 ClO2S2C13H15 AB2C2D13E15 -17.18 5.86 -8.23 -0.47 0
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402510 135056240 1 ClMgC7H9 ABC7D9 -17.22 3.47 -9.41 0.17 0
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402511 135056241 1 NI2O5H13C16 AB2C5D13E16 -119.46 5.44 -9.0 -1.54 0
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402512 135056242 1 ClON2C21H29 ABC2D21E29 -24.29 2.57 -8.36 -0.42 0
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402513 135056245 1 O2N3C20H27 A2B3C20D27 12.26 7.1 -7.94 -0.05 0
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402514 135056246 2 OC10H14 AB10C14 -68.39 2.06 -8.59 1.42 0
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402515 135056252 1 N3O3C13H19 A3B3C13D19 -11.39 5.48 -8.59 -0.46 0
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402517 135056256 1 O5C24H32 A5B24C32 -229.68 2.16 -9.4 -0.17 0
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402518 135056258 1 SN5O5C20H31 AB5C5D20E31 -215.48 2.89 -9.85 -0.45 0
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402519 135056261 1 NOC23H33 ABC23D33 -60.53 5.31 -7.81 0.76 0
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402520 135056269 1 ClNO3C8H14 ABC3D8E14 -146.38 5.54 -9.06 -0.35 0
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402521 135056279 1 F2O2C19H20 A2B2C19D20 -129.89 0.25 -8.78 -0.05 0
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402522 135056280 1 ClN2O4H7C8 AB2C4D7E8 -67.06 7.68 -10.49 -1.91 0
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402523 135056282 2 OC10H14 AB10C14 -44.12 5.75 -9.01 -0.47 0
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402524 135056284 1 O3C22H34 A3B22C34 -180.21 1.47 -9.33 0.89 0
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402525 135056287 1 PN2O9C40H79 AB2C9D40E79 -621.43 3.88 -9.81 0.27 0
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402526 135056291 1 ON2H3Cl7C9 AB2C3D7E9 -37.86 2.9 -9.51 -1.46 0
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402527 135056292 1 ClNOC14H16 ABCD14E16 -41.37 3.78 -9.43 -0.75 0
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402529 135056296 1 FNO2C20H20 ABC2D20E20 -89.86 2.93 -8.51 -0.66 0
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402530 135056297 1 ClC20H29 AB20C29 -5.05 3.31 -8.48 -0.19 0
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402531 135056298 1 CaO4C6H6 AB4C6D6 -209.77 8.9 -9.68 -1.55 0
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402532 135056304 1 SN6O8C36H50 AB6C8D36E50 -340.1 8.0 -9.12 -0.41 0
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402534 135056308 3 ClNOC3H8 ABCD3E8 -259.78 6.01 -9.54 0.58 0
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402535 135056309 2 O3C6H11 A3B6C11 -289.26 4.55 -10.0 0.82 0
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402536 135056311 1 NO2C13H19 AB2C13D19 -58.43 2.48 -8.7 0.34 0
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402537 135056313 1 NO3C10H15 AB3C10D15 -129.3 3.93 -10.02 -0.58 0
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402538 135056320 1 N6O17C52H82 A6B17C52D82 -840.76 6.87 -9.15 -0.56 0
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402542 135056330 1 ClO3C25H29 AB3C25D29 -125.96 6.03 -9.42 -0.69 0
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402543 135056334 1 OC17H26 AB17C26 -51.69 2.44 -9.34 0.21 0
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402544 135056335 1 ClFNO2H11C14 ABCD2E11F14 -95.06 0.8 -8.66 -0.9 0
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402545 135056336 2 NO2C6H11 AB2C6D11 -184.14 3.28 -8.52 0.6 0
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402546 135056337 1 ClIN2S2C7H10 ABC2D2E7F10 37.92 4.38 -8.93 -0.68 0
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402547 135056340 1 N2O3C11H16 A2B3C11D16 -115.17 4.79 -8.59 0.06 0
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402548 135056343 1 NCl2O3C12H13 AB2C3D12E13 -129.24 3.18 -9.96 -0.68 0
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402549 135056344 1 O6C9H16 A6B9C16 -283.29 3.03 -10.45 0.82 0
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402550 135056345 1 N2O3C21H28 A2B3C21D28 -113.33 3.57 -8.13 0.2 0