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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412422 135085313 1 OSH10C11 ABC10D11 55.36 4.09 -9.49 -1.15 0
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412423 135085314 1 ClN2H9C12 AB2C9D12 45.92 2.04 -8.72 -0.74 0
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412424 135085315 1 LiN3H10C12 AB3C10D12 61.67 11.84 -7.64 -0.43 0
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412425 135085316 1 N3H11C12 A3B11C12 76.99 5.86 -8.59 -0.4 0
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412426 135085317 1 F3O3C21H25 A3B3C21D25 -280.74 5.3 -9.24 -0.86 0
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412427 135085318 2 OSC6H7 ABC6D7 -28.25 1.05 -8.43 -0.48 0
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412428 135085319 1 OCl3C10H17 AB3C10D17 -96.74 3.18 -10.61 -0.84 0
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412429 135085322 1 O4F24H26C41 A4B24C26D41 -1391.67 1.42 -11.08 -1.65 0
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412430 135085323 1 ClRuN3O3H46C60 ABC3D3E46F60 211.74 6.93 -7.43 -1.7 0
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412431 135085326 1 FeN2O2H50C60 AB2C2D50E60 108.02 2.17 -7.22 -0.62 -1
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412432 135085327 1 PN4O4F6C31H42 AB4C4D6E31F42 -590.48 9.49 0.0 0.0 0
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412433 135085328 1 N4O4C31H42 A4B4C31D42 -130.27 3.75 -8.24 0.13 0
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412434 135085329 1 BON3F4C21H22 ABC3D4E21F22 -316.28 12.03 -9.7 -1.26 0
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412435 135085330 1 ClON3C21H22 ABC3D21E22 42.65 8.83 -7.27 -0.66 0
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412436 135085331 1 ClN2O5C23H25 AB2C5D23E25 -9.78 14.4 -9.75 -2.3 1
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412437 135085332 1 ON2C23H25 AB2C23D25 17.95 1.55 0.0 0.0 0
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412439 135085334 1 ON3F6H20C26 AB3C6D20E26 -232.81 8.09 0.0 0.0 0
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412440 135085335 1 BOSiN3F4C30H36 ABCD3E4F30G36 -321.35 21.51 -9.13 -1.73 1
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412441 135085336 1 OSiN3C30H36 ABC3D30E36 26.33 4.86 0.0 0.0 0
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412442 135085337 1 BOSiN3F4C33H42 ABCD3E4F33G42 -343.72 24.62 -9.64 -1.95 1
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412443 135085338 1 OSiN3C33H42 ABC3D33E42 12.65 4.1 0.0 0.0 0
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412444 135085339 1 ClON3C21H22 ABC3D21E22 55.38 25.24 -7.14 -1.96 0
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412445 135085340 1 BON3F4C22H24 ABC3D4E22F24 -314.81 14.37 -9.93 -1.25 0
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412446 135085341 1 BN2F4C14H19 AB2C4D14E19 -319.47 31.94 -9.88 -2.02 1
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412447 135085342 1 N2C14H19 A2B14C19 31.04 2.23 0.0 0.0 0