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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79528 49816808 1 O2N3C23H23 A2B3C23D23 -33.6 1.68 -8.52 -0.86 0
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79529 49816809 1 N3O3C23H25 A3B3C23D25 -71.02 1.73 -8.67 -0.87 0
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79530 49816810 1 O2N3C23H23 A2B3C23D23 -29.51 1.71 -9.25 -0.84 0
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79531 49816811 1 ClO2N3H20C21 AB2C3D20E21 -32.26 2.97 -9.65 -1.0 0
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79532 49816812 1 ClO2F3N3H17C21 AB2C3D3E17F21 -193.34 3.96 -9.41 -1.22 0
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79533 49816813 1 ClO2N3C20H24 AB2C3D20E24 -80.72 1.9 -9.71 -1.0 0
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79534 49816814 1 ClN3O3C22H22 AB3C3D22E22 -77.62 3.98 -8.35 -1.06 0
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79535 49816816 1 ClO2N3C18H22 AB2C3D18E22 -75.5 1.95 -9.72 -1.03 0
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79536 49825822 1 N2O3H18C19 A2B3C18D19 -74.55 4.11 -8.32 -0.88 0
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79537 49825827 1 FOSN4H17C18 ABCD4E17F18 37.6 1.28 -8.85 -0.87 0
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79538 49826096 1 N3O4C22H23 A3B4C22D23 -87.97 9.54 -8.9 -0.7 0
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79539 49826097 1 O2F3N5H16C19 A2B3C5D16E19 -107.15 6.05 -9.3 -1.09 1
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79540 49826114 1 SO2N3C24H28 AB2C3D24E28 19.79 5.84 0.0 0.0 0
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79541 49826121 1 BrN3O4H14C16 AB3C4D14E16 1.83 7.28 -9.39 -1.11 0
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79542 49826122 1 FN2S2O3H15C19 AB2C2D3E15F19 -72.75 3.53 -8.37 -1.13 0
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79543 49826123 1 SO3N5C18H19 AB3C5D18E19 53.4 6.59 -8.94 -1.3 1
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79544 49828870 1 SN3O4C23H36 AB3C4D23E36 -136.27 10.11 0.0 0.0 0
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79545 49829441 1 SN4O5C21H24 AB4C5D21E24 -162.15 7.67 -8.87 -0.54 1
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79546 49829442 1 ClO2F3N3C20H22 AB2C3D3E20F22 -181.98 10.43 0.0 0.0 1
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79547 49829443 1 N2O4C27H33 A2B4C27D33 -115.17 3.4 0.0 0.0 0
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79548 49829446 1 N2O5C25H30 A2B5C25D30 -172.96 5.37 -8.31 -0.35 1
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79549 49829452 1 SN3O5C21H24 AB3C5D21E24 -63.07 6.32 0.0 0.0 0
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79550 49829455 1 SO2N5C23H25 AB2C5D23E25 -8.86 3.35 -8.73 -0.44 -1
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79551 49829463 1 NSO6C22H24 ABC6D22E24 -143.29 7.27 0.0 0.0 0
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79552 49829466 1 O4N6H22C23 A4B6C22D23 -5.64 2.43 -8.31 -0.87 0