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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194245 78503458 1 FOSN4C20H21 ABCD4E20F21 22.79 4.9 -9.28 -1.04 0
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194246 78503654 1 ClN2O5C21H21 AB2C5D21E21 -182.4 4.12 -9.42 -0.95 0
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194247 78503655 1 ClN3O4H18C20 AB3C4D18E20 -104.23 6.65 -9.48 -0.68 0
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194248 78503656 1 NCl2O5H17C19 AB2C5D17E19 -169.98 4.91 -9.43 -0.92 0
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194249 78503657 1 ClFNO5H17C19 ABCD5E17F19 -205.97 4.93 -9.55 -0.95 0
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194250 78503658 1 ClN4O4C18H21 AB4C4D18E21 -130.8 5.22 -8.32 -1.0 0
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194251 78503659 1 ClSN2O3H19C20 ABC2D3E19F20 -62.86 3.2 -8.5 -1.02 0
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194252 78503660 2 NO2C9H9 AB2C9D9 -123.52 6.86 -9.99 -0.66 0
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194253 78503661 1 BrNO6C25H28 ABC6D25E28 -212.76 5.16 -8.83 -0.75 0
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194254 78503674 1 BrSN2O2C18H21 ABC2D2E18F21 -10.72 5.8 -8.99 -0.86 0
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194255 78504328 1 BrNO4C18H18 ABC4D18E18 -89.39 4.64 -8.92 -1.09 1
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194256 78504392 1 O2N3C22H32 A2B3C22D32 -39.05 4.62 0.0 0.0 1
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194257 78504484 1 O2N3C24H34 A2B3C24D34 -11.08 15.66 0.0 0.0 0
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194258 78504544 1 FSN3O6C15H18 ABC3D6E15F18 -278.74 3.12 -9.92 -0.78 0
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194259 78504545 1 NSO4C18H21 ABC4D18E21 -135.76 7.07 -9.68 -0.5 0
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194260 78504654 2 NO2C11H13 AB2C11D13 -121.21 5.79 -8.22 -0.03 0
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194261 78504763 1 ClNO5H18C21 ABC5D18E21 -166.28 6.68 -9.41 -1.01 0
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194262 78504764 1 ClNO5H20C22 ABC5D20E22 -172.96 8.21 -9.22 -0.99 0
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194263 78505475 1 FN2O4C21H23 AB2C4D21E23 -192.12 4.21 -9.21 -0.45 0
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194264 78505476 1 N3O5C23H27 A3B5C23D27 -197.36 7.13 -8.73 -0.26 0
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194265 78505477 1 ClN2O4C22H25 AB2C4D22E25 -162.45 6.39 -8.86 -0.42 -1
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194266 78505920 1 SN2O3H17C19 AB2C3D17E19 -28.9 1.62 0.0 0.0 0
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194267 78506178 1 N3O3C21H25 A3B3C21D25 -58.84 5.07 -8.96 -0.02 0
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194268 78506179 1 SCl2O2N4C11H12 AB2C2D4E11F12 -49.56 3.8 -9.12 -0.68 0
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194269 78506617 1 BrOSN3H12C14 ABCD3E12F14 54.54 3.44 -9.7 -1.8 0