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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412492 135085387 1 NSF3O5C6H10 ABC3D5E6F10 -381.94 9.16 -11.42 -0.61 0
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412493 135085388 1 NOB2C17H19 ABC2D17E19 47.85 5.12 -7.28 -0.04 -1
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412494 135085389 1 NOB2C17H18 ABC2D17E18 36.15 3.83 0.0 0.0 0
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412496 135085391 1 P2N3C17O18H27 A2B3C17D18E27 -844.6 10.51 -10.31 -1.62 0
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412497 135085392 2 NPO7C8H13 ABC7D8E13 -759.7 7.44 -9.33 -0.34 0
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412498 135085393 1 OC14H16 AB14C16 22.32 1.18 -9.23 -0.19 1
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412499 135085394 1 NF3C9H9 AB3C9D9 -138.94 5.72 0.0 0.0 0
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412500 135085395 1 ISN2O2H9C11 ABC2D2E9F11 1.21 6.07 -8.82 -1.23 0
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412501 135085396 1 NaS2F3O3H4C7 AB2C3D3E4F7 -322.75 7.38 -9.39 -1.44 0
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412502 135085397 1 S2F3O3H5C7 A2B3C3D5E7 -255.62 2.81 -10.32 -1.85 0
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412503 135085398 1 STeC11H22 ABC11D22 -23.85 2.34 -7.8 0.14 0
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412504 135085399 1 OC11H14 AB11C14 -39.62 2.19 -9.28 0.46 0
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412505 135085400 1 OSiC13H20 ABC13D20 -79.53 1.79 -9.12 0.04 0
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412506 135085401 1 NSO3C12H17 ABC3D12E17 -108.95 7.03 -10.02 -0.72 0
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412507 135085402 1 NO2C13H15 AB2C13D15 -62.32 0.59 -8.43 -0.46 0
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412508 135085403 1 IO2C13H17 AB2C13D17 -51.08 3.33 -9.43 -0.7 1
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412509 135085404 1 FN2H12C13 AB2C12D13 8.4 2.6 0.0 0.0 0
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412510 135085405 1 OC16H16 AB16C16 71.25 5.13 -9.38 -0.57 0
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412511 135085406 1 ON2C14H16 AB2C14D16 1.1 7.29 -8.55 -0.22 2
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412512 135085407 1 PtSP2O4F8H32C35 ABC2D4E8F32G35 -427.65 22.3 -7.59 -1.03 0
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412513 135085408 1 FBr2N4O4C48H55 AB2C4D4E48F55 -82.67 11.3 -7.84 -1.06 2
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412514 135085409 1 FN4O4C48H55 AB4C4D48E55 -29.44 16.33 -5.93 -1.61 0
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412515 135085410 1 ClNORuC15H29 ABCDE15F29 29.26 5.35 0.0 0.0 0
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412516 135085411 1 AuClN2C33H40 ABC2D33E40 71.06 10.17 -8.85 -1.79 0
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412517 135085412 1 N2C33H40 A2B33C40 35.35 1.5 -8.07 0.23 0