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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159995 57304352 1 ClON3C24H34 ABC3D24E34 12.87 2.76 -8.44 -0.36 0
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159996 57304355 2 NO3C21H28 AB3C21D28 -232.29 2.15 -8.5 -0.52 0
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159997 57304358 1 ClOSN2H13C15 ABCD2E13F15 46.87 5.83 -8.78 -1.31 0
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159998 57304359 1 ON2C8H12 AB2C8D12 25.39 1.72 -8.67 -0.89 0
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159999 57304360 1 S2N7C10H15 A2B7C10D15 103.12 7.66 -9.16 -0.84 0
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160000 57304367 1 N3O3F9H22C24 A3B3C9D22E24 -583.89 6.04 -9.53 -1.42 0
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160001 57304368 1 ClSO2C9H9 ABC2D9E9 -80.18 6.43 -9.22 -0.68 0
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160004 57304371 1 NO2C18H23 AB2C18D23 -61.54 1.08 -8.76 0.07 0
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160005 57304372 1 ClN3O3C9H10 AB3C3D9E10 -38.5 5.84 -9.42 -1.32 0
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160006 57304373 1 OSCl2C8H8 ABC2D8E8 -28.08 3.49 -9.43 -0.64 0
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160007 57304374 1 NO5C10H11 AB5C10D11 -198.58 0.53 -9.35 -0.58 0
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160008 57304375 1 SN2Cl3O5C12H15 AB2C3D5E12F15 -186.21 5.11 -9.29 -0.75 0
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160009 57304376 1 O6N7C24H25 A6B7C24D25 -135.81 4.82 -9.12 -1.16 0
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160010 57304378 1 FOH11C13 ABC11D13 -45.5 1.85 -9.16 -0.02 0
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160011 57304379 1 NO2C27H33 AB2C27D33 -59.02 7.5 -9.05 -0.7 -1
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160012 57304380 1 NSO4H6C7 ABC4D6E7 -113.86 7.5 0.0 0.0 0
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160013 57304381 1 NSO4C7H7 ABC4D7E7 -130.79 7.06 -9.08 -0.88 0
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160015 57304384 2 O2C6H13 A2B6C13 -247.19 0.62 -9.89 1.6 0
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160016 57304385 1 BrNOH10C11 ABCD10E11 -19.33 2.62 -9.1 -1.06 0
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160018 57304387 1 NOC19H19 ABC19D19 6.81 3.87 -8.72 -0.72 0
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160019 57304388 1 NO2C7H11 AB2C7D11 -47.45 7.46 -10.38 0.09 0
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160020 57304389 2 N2C5H5 A2B5C5 70.15 3.71 -8.65 -0.46 0
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160021 57304390 1 O4C15H22 A4B15C22 -168.92 4.62 -8.45 -0.02 0
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160022 57304391 1 SN3O4C23H31 AB3C4D23E31 -112.37 5.84 -9.02 -0.15 -1
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160023 57304392 1 SCl4N5O11C37H42 AB4C5D11E37F42 -420.12 8.77 0.0 0.0 0