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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229270 87567299 1 BrN2O3C17H23 AB2C3D17E23 -142.27 3.06 -9.36 -2.32 0
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229271 87567301 1 SO3N4C35H38 AB3C4D35E38 5.81 7.01 -8.91 -0.56 0
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229272 87567302 1 N2O3H18C20 A2B3C18D20 1.44 6.29 -8.5 -1.43 0
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229273 87567306 1 O3F6N6C22H22 A3B6C6D22E22 -309.28 4.75 -7.82 -1.29 0
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229274 87567307 2 OF3N3H10C11 AB3C3D10E11 -305.05 2.77 -8.9 -0.85 0
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229275 87567308 1 N2O2F7H21C25 A2B2C7D21E25 -388.0 3.35 -9.8 -1.05 0
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229276 87567309 1 N2O2F7H21C25 A2B2C7D21E25 -384.59 8.85 -9.72 -0.7 0
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229277 87567310 1 N9O12C52H95 A9B12C52D95 -613.11 7.13 -9.31 -0.1 0
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229278 87567311 4 ON3C16H20 AB3C16D20 48.91 7.45 -8.33 -0.63 0
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229279 87567312 1 ClN2O4C8H19 AB2C4D8E19 -168.96 3.25 -9.64 -0.83 0
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229280 87567317 1 NSO4C12H15 ABC4D12E15 -125.97 6.31 -9.86 -0.7 0
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229281 87567324 1 NC8Br19 AB8C19 77.12 0.9 -9.41 -2.9 1
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229282 87567326 1 NSO4C16H24 ABC4D16E24 -140.23 4.77 0.0 0.0 0
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229283 87567327 1 ON3F6C26H37 AB3C6D26E37 -377.92 6.99 -8.27 -1.14 0
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229284 87567328 1 ClFSN3O4C29H37 ABCD3E4F29G37 -171.87 2.64 -8.82 -0.24 0
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229285 87567330 1 ON3F6C26H37 AB3C6D26E37 -381.12 8.13 -8.7 -1.06 0
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229286 87567331 1 ON3F6C26H37 AB3C6D26E37 -383.38 7.63 -8.8 -1.08 0
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229287 87567332 1 SN3F6O6H21C29 AB3C6D6E21F29 -448.2 12.83 -9.84 -1.45 1
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229288 87567333 1 SN3F6O6H20C29 AB3C6D6E20F29 -273.33 5.78 0.0 0.0 0
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229289 87567334 2 NF2C4H6 AB2C4D6 -183.94 3.71 -8.72 0.27 0
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229290 87567335 1 ClFSO3N4C22H26 ABCD3E4F22G26 -89.39 5.61 -9.04 -0.56 0
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229291 87567338 1 ClNO4C6H12 ABC4D6E12 -223.99 4.4 -9.22 0.58 0
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229292 87567341 1 SO5C7H10 AB5C7D10 -181.52 3.48 -10.79 -0.64 0
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229293 87567345 1 ClFSO3N4C22H26 ABCD3E4F22G26 -100.15 6.66 -8.92 -0.47 0
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229294 87567348 1 SCl2O2C6H8 AB2C2D6E8 -52.39 4.51 -10.41 -0.44 0
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229295 87567349 1 NP2O6C7H17 AB2C6D7E17 -386.04 2.69 -9.1 0.72 0
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229296 87567352 1 NOC24H29 ABC24D29 18.0 3.34 -8.88 0.01 0
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229297 87567355 1 NO3C18H33 AB3C18D33 -190.18 6.08 -9.52 0.71 0
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229298 87567357 2 O2C5H8 A2B5C8 -164.12 1.59 -9.12 -0.38 0
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229299 87567359 1 ClOF3N3H21C23 ABC3D3E21F23 -139.2 7.75 -9.73 -0.87 0
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229300 87567360 1 SN2O3H14C16 AB2C3D14E16 -47.3 3.28 -8.9 -0.76 0
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229301 87567362 10 OC2H4 AB2C4 -474.89 10.94 -9.91 -0.45 0
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229302 87567366 1 NOC20H33 ABC20D33 -44.75 3.71 -9.33 0.43 0
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229303 87567368 1 ClNO3C6H8 ABC3D6E8 -137.88 5.83 -10.55 -0.45 0
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229304 87567369 1 SN6O6C22H24 AB6C6D22E24 -56.15 5.01 -9.85 -1.6 0
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229305 87567374 1 SN3O3C35H37 AB3C3D35E37 -6.92 0.69 -8.63 -0.06 0
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229306 87567379 1 FOSN3C21H24 ABCD3E21F24 15.29 5.97 -9.01 -0.45 0
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229307 87567382 1 O7C8H18 A7B8C18 -328.63 1.74 -10.25 0.65 0
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229308 87567383 1 NSO4C22H27 ABC4D22E27 -137.3 5.91 -8.92 -1.26 1
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229309 87567387 1 NSO4C16H24 ABC4D16E24 -140.43 3.32 0.0 0.0 2
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229310 87567391 1 N5O8C40H45 A5B8C40D45 -174.77 4.34 -8.69 -1.06 0
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229311 87567392 1 FN2O4H27C30 AB2C4D27E30 -103.45 0.92 -9.6 -1.01 0
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229312 87567394 1 NSO5C12H25 ABC5D12E25 -227.14 14.22 -9.91 -0.12 0
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229313 87567395 1 BrNOC9H18 ABCD9E18 -58.35 9.76 -8.03 -0.73 0
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229314 87567397 1 FN3O5C28H32 AB3C5D28E32 -169.52 2.79 -9.43 -1.01 0
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229315 87567398 1 N2O4C25H26 A2B4C25D26 -24.98 5.42 -9.06 -0.88 0
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229316 87567399 1 NSO5C8H17 ABC5D8E17 -220.44 12.22 -10.37 -0.18 0
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229317 87567401 1 NO4C17H17 AB4C17D17 -120.36 4.98 -8.6 -0.69 0
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229318 87567403 2 HSC2O3F4 ABC2D3E4 -631.47 2.21 -12.4 -1.6 0
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229319 87567404 1 OSCl2N3C27H31 ABC2D3E27F31 -0.34 3.12 -8.8 -0.9 0