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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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233388 89854988 1 BrIrNOH14C15 ABCDE14F15 139.57 16.98 0.0 0.0 0
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233389 89854989 1 N6O26C47H74 A6B26C47D74 -1086.81 9.58 -8.94 -0.12 3
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233390 89854990 1 N6O26C47H77 A6B26C47D77 -1007.64 16.32 0.0 0.0 0
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233391 89854991 2 O2N3H13C14 A2B3C13D14 -41.54 5.94 -9.54 -1.25 0
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233392 89854992 2 N3O3C9H19 A3B3C9D19 -275.77 17.2 -8.33 0.18 1
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233393 89854993 1 N5O5C16H34 A5B5C16D34 -197.65 1.82 0.0 0.0 0
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233394 89854995 1 FOSN9C24H32 ABCD9E24F32 26.5 4.33 -8.38 -0.84 0
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233395 89854996 1 FOSN9C24H32 ABCD9E24F32 25.89 9.82 -8.74 -0.76 0
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233396 89855453 2 NO2C6H8 AB2C6D8 -90.91 3.82 -9.56 -0.33 0
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233397 89855543 1 O6C13H14 A6B13C14 -223.18 4.31 -9.06 -1.02 0
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233398 89855738 1 ClO5C23H27 AB5C23D27 -177.19 5.05 -9.1 -0.18 0
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233399 89855742 1 ClFN4O5H22C26 ABC4D5E22F26 -190.47 1.75 -9.26 -0.9 0
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233400 89855823 1 ClFN3O4H19C20 ABC3D4E19F20 -176.1 1.22 -9.31 -0.64 0
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233401 89855845 1 ClFN2O5C21H26 ABC2D5E21F26 -275.78 3.17 -10.01 -0.79 0
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233402 89855996 1 FN7O7C24H24 AB7C7D24E24 -90.27 16.92 -8.96 -1.51 0
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233403 89856002 1 F3O3N5C24H24 A3B3C5D24E24 -164.05 7.69 -8.72 -1.02 0
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233404 89856003 1 FO3N5C25H28 AB3C5D25E28 -86.49 8.64 -8.64 -1.09 0
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233405 89856004 1 FO3N5C20H26 AB3C5D20E26 -103.91 5.99 -8.69 -0.99 0
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233406 89856005 1 FO4N5C20H26 AB4C5D20E26 -153.91 9.08 -8.76 -1.11 0
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233407 89856006 1 FSN5O5C25H28 ABC5D5E25F28 -164.25 12.76 -8.85 -1.27 0
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233408 89856007 1 FO3N6C21H25 AB3C6D21E25 -80.72 10.24 -8.78 -1.15 0
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233409 89856150 1 FON7H24C29 ABC7D24E29 116.94 11.01 -8.77 -2.24 0
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233410 89856151 1 FO3N5C28H34 AB3C5D28E34 -101.68 8.35 -8.26 -1.09 0
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233411 89856165 1 N2C9H20 A2B9C20 -13.41 3.04 -8.05 1.58 0
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233412 90271429 1 N6H22C27 A6B22C27 201.6 3.56 -8.4 -1.86 0
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233413 90271436 1 FN6H25C33 AB6C25D33 177.42 3.25 -8.49 -1.98 0
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233414 90271440 1 NO6C32H39 AB6C32D39 -170.09 6.9 -8.58 -0.84 0
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233415 90271443 1 ON7H23C28 AB7C23D28 151.23 8.98 -8.46 -1.94 0
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233416 90271444 1 N7H25C29 A7B25C29 203.3 5.59 -8.46 -1.94 0
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233417 90271456 1 OCl2N3F4H11C18 AB2C3D4E11F18 -173.79 8.87 -8.87 -1.41 0
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233418 90271460 1 ON3F5H14C19 AB3C5D14E19 -208.28 7.31 -9.04 -1.31 0
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233419 90271462 1 NO7C34H45 AB7C34D45 -215.78 5.32 -8.42 -0.78 0
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233420 90271483 1 BN2O7C18H19 AB2C7D18E19 -302.12 11.29 -9.14 -0.89 0
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233421 90271486 1 ON8C30H32 AB8C30D32 121.55 6.78 -7.77 -1.73 1
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233422 90271489 1 NOSC8H18 ABCD8E18 -17.05 2.6 0.0 0.0 0
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233423 90271493 1 O2N4F5H15C20 A2B4C5D15E20 -215.49 6.58 -9.62 -0.97 0
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233424 90271494 1 ClON3F5H11C18 ABC3D5E11F18 -208.06 5.73 -9.14 -1.36 0
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233425 90271495 1 NO6C33H41 AB6C33D41 -176.87 3.49 -8.41 -0.67 0
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233426 90271501 2 NOF2H4C6 ABC2D4E6 -224.07 9.79 -10.4 -1.46 0
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233427 90271504 1 NSO2F3C10H10 ABC2D3E10F10 -227.08 7.24 -9.29 -1.55 0
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233428 90271505 1 O3N4H22C24 A3B4C22D24 -15.09 8.47 -9.16 -1.2 0
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233429 90271506 1 ON4F5H11C19 AB4C5D11E19 -164.99 4.49 -9.19 -1.8 0
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233430 90271510 1 SN2C12H12 AB2C12D12 65.14 3.15 -9.02 -0.44 0
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233431 90344351 1 ON2C8H16 AB2C8D16 -34.86 3.35 -8.99 0.08 0
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233432 90744369 1 SO3N5C24H27 AB3C5D24E27 -38.86 7.5 -8.32 -0.88 -1
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233433 90944399 1 S2O5C8H9 A2B5C8D9 -174.33 6.36 0.0 0.0 0
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233434 90944422 1 BrClO6C19H24 ABC6D19E24 -258.29 3.8 -9.25 -0.85 0
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233435 90944456 1 NSO4C19H23 ABC4D19E23 -105.98 7.65 -9.68 -0.56 0
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233436 90944458 1 O3N4C34H40 A3B4C34D40 -53.23 1.13 -8.58 -0.94 0
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233437 90944476 1 N3O3H17C18 A3B3C17D18 -13.9 4.33 -8.93 -0.9 0