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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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444986 135264161 1 SN3C26H29 AB3C26D29 68.28 3.61 -7.52 -0.09 0
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444987 135264162 1 ClSN3C27H30 ABC3D27E30 56.1 4.41 -7.56 -0.11 0
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444988 135264163 1 SO2N4C26H28 AB2C4D26E28 59.32 8.49 -7.68 -1.08 0
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444989 135264164 1 ClSN3C26H28 ABC3D26E28 58.1 4.44 -7.56 -0.13 0
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444990 135264165 1 FSN3C27H30 ABC3D27E30 18.61 4.56 -7.52 -0.11 0
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444991 135264166 1 OSN3C27H31 ABC3D27E31 29.81 4.22 -7.5 -0.08 0
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444992 135264168 1 SN3C27H33 AB3C27D33 126.94 3.66 -8.15 -0.31 0
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444993 135264170 1 SN3C27H31 AB3C27D31 59.01 3.66 -7.53 -0.05 0
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444994 135264172 1 ClSN3C27H30 ABC3D27E30 53.23 1.6 -7.71 -0.16 0
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444995 135264173 1 ClSN3C27H30 ABC3D27E30 55.54 4.19 -7.62 -0.08 0
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444996 135264174 1 SN3C28H33 AB3C28D33 60.64 3.03 -7.61 -0.05 0
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444997 135264175 1 ClOSN3C27H32 ABCD3E27F32 85.92 4.32 -8.28 -0.5 0
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444998 135264213 1 N2C15H22 A2B15C22 11.7 2.55 -8.2 0.41 0
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445000 135264240 1 PO3N4C24H33 AB3C4D24E33 -105.89 9.71 -8.5 -0.34 0
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445001 135264247 1 PN4O6C28H33 AB4C6D28E33 -242.05 4.62 -9.06 -0.82 0
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445002 135264249 1 PN5O5C26H32 AB5C5D26E32 -192.0 6.55 -8.93 -0.73 0
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445003 135264252 1 PSN4O4C24H29 ABC4D4E24F29 -133.28 7.23 -8.9 -0.66 0
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445004 135264253 1 PO3N4C24H35 AB3C4D24E35 -138.56 3.38 -8.91 -0.71 0
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445005 135264254 1 PO3N5C29H38 AB3C5D29E38 -97.31 9.83 -8.58 -0.56 1
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445006 135264255 1 N7C20H32 A7B20C32 75.82 5.47 0.0 0.0 1
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445007 135264256 1 O2N6C18H25 A2B6C18D25 12.56 1.05 0.0 0.0 1
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445008 135264258 1 ON6C19H29 AB6C19D29 43.09 1.92 0.0 0.0 0
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445009 135264260 1 OF3N5H14C15 AB3C5D14E15 -91.25 7.5 -8.27 -1.26 0
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445010 135264261 1 PN4O6C28H33 AB4C6D28E33 -241.2 4.03 -8.92 -0.8 0
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445011 135264263 1 PSN4O4C24H29 ABC4D4E24F29 -136.91 5.36 -8.95 -0.66 0
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445012 135264264 1 ON7C23H23 AB7C23D23 127.1 3.6 -9.14 -1.18 0
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445013 135264269 1 O2N4H16C21 A2B4C16D21 70.59 3.98 -9.03 -1.24 0
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445014 135264270 1 OSN5C14H15 ABC5D14E15 58.49 4.29 -9.03 -1.28 0
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445015 135264271 1 ON5C20H23 AB5C20D23 71.2 4.05 -8.62 -1.01 0
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445016 135264272 1 ON3C13H13 AB3C13D13 32.16 6.32 -10.26 -1.14 0
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445017 135264273 1 FNO3H12C18 ABC3D12E18 -15.74 3.25 -8.65 -2.08 0
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445018 135264274 1 NO3H15C19 AB3C15D19 -50.53 5.08 -9.02 -1.33 0
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445019 135264275 1 ClNO3H12C18 ABC3D12E18 3.86 0.96 -9.2 -1.93 0
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445020 135264276 1 FNO3H12C18 ABC3D12E18 -31.8 1.11 -9.07 -2.23 0
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445021 135264277 1 NO3H13C18 AB3C13D18 -38.77 6.62 -9.3 -1.41 0
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445022 135264279 1 O11C14H18 A11B14C18 -493.52 3.34 -10.8 -0.74 0
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445023 135264280 1 N3O5C30H33 A3B5C30D33 -115.24 3.52 -9.02 -0.68 0
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445024 135264281 1 N2O3C26H30 A2B3C26D30 -66.73 6.52 -8.74 -1.06 0
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445025 135264282 1 NSO3C25H29 ABC3D25E29 -85.08 5.29 -8.68 -0.9 0
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445026 135264284 1 SN4O4C33H38 AB4C4D33E38 -93.47 7.0 -8.77 -1.45 0
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445027 135264286 1 N2O3C26H30 A2B3C26D30 -76.63 7.77 -8.86 -1.01 0
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445028 135264289 1 N5O5C45H53 A5B5C45D53 -136.71 5.98 -8.76 -0.87 0
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445029 135264291 1 O5N6C44H52 A5B6C44D52 -115.58 8.33 -8.71 -0.88 0
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445030 135264292 1 SN5O5C39H51 AB5C5D39E51 -163.1 8.46 -8.78 -0.97 0
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445031 135264293 1 SN3O5C34H45 AB3C5D34E45 -184.39 5.53 -8.23 -0.77 0
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445032 135264295 1 O2N3C26H31 A2B3C26D31 -36.49 5.67 -8.77 -0.91 0
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445033 135264296 1 N4O4C31H40 A4B4C31D40 -129.28 8.16 -8.84 -0.96 0
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445034 135264301 2 NC5H5 AB5C5 71.36 0.91 -8.28 -0.29 0
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445035 135264323 1 SN5O5C40H53 AB5C5D40E53 -166.99 11.37 -8.8 -1.1 0
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445036 135264329 1 SN4O5C41H50 AB4C5D41E50 -168.58 7.24 -8.76 -1.08 0