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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125597 50929441 1 SO2N5H17C18 AB2C5D17E18 22.66 4.86 -8.84 -0.62 0
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125598 50929449 1 BrNO3C18H18 ABC3D18E18 -88.96 3.14 -9.29 -1.27 0
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125599 50929481 1 NF3O5H14C18 AB3C5D14E18 -304.3 6.14 -9.52 -1.27 0
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125600 50929497 1 FNO6C22H26 ABC6D22E26 -258.55 4.27 -8.6 -0.76 0
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125601 50929677 1 NF3O4H18C19 AB3C4D18E19 -295.88 4.48 -9.58 -0.71 0
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125602 50929678 1 ClNO4C19H20 ABC4D19E20 -148.31 5.27 -9.44 -0.64 0
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125603 50929788 1 NCl2O4H15C17 AB2C4D15E17 -137.25 4.14 -9.5 -1.12 0
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125604 50929789 1 BrClNO4H15C17 ABCD4E15F17 -121.4 3.43 -9.44 -0.62 0
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125605 50929790 1 BrClNO4H15C17 ABCD4E15F17 -122.98 4.46 -9.44 -0.65 0
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125606 50929791 1 ClNF3O4H15C18 ABC3D4E15F18 -289.16 3.95 -9.84 -1.16 0
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125607 50929906 1 Br2N2O3H16C17 A2B2C3D16E17 -51.98 4.03 -8.88 -1.06 0
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125608 50929942 1 ClN2O5H21C22 AB2C5D21E22 -88.73 4.18 -8.38 -0.73 0
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125609 50929973 1 N2F3O3H13C18 A2B3C3D13E18 -173.27 6.21 -8.75 -0.99 0
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125610 50929974 1 ClN2O4H15C18 AB2C4D15E18 -58.8 4.46 -8.36 -0.71 0
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125614 50930085 1 PdN2O2F6C12H14 AB2C2D6E12F14 -346.72 11.87 -8.64 -0.39 0
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125615 50930086 1 CoN4O4C20H30 AB4C4D20E30 -176.59 47.5 0.0 0.0 0
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125618 50930215 1 FeS2N4O4C34H35 AB2C4D4E34F35 -94.61 11.17 0.0 0.0 1
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125619 50930216 1 ZnN4O5C34H35 AB4C5D34E35 -82.05 7.28 0.0 0.0 -1
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125620 50930217 1 N4O5C34H35 A4B5C34D35 -39.73 10.73 0.0 0.0 1
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125621 50930218 1 FeSN4O4C34H35 ABC4D4E34F35 39.38 9.23 0.0 0.0 0
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125622 50930244 1 ON3C18H21 AB3C18D21 21.96 6.94 -8.8 -0.43 0
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125623 50930245 1 NO7C27H45 AB7C27D45 -384.78 5.21 -10.03 0.32 0
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125624 50930246 1 HgO3F4H5C8 AB3C4D5E8 -270.42 2.96 0.0 0.0 -2
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125625 50930274 1 FeC4N4 AB4C4 188.01 0.02 -9.99 -2.15 0
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125626 50930349 1 MnO2N3C18H21 AB2C3D18E21 63.48 4.5 0.0 0.0 0