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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22201 596247 2 NOC4H4 ABC4D4 29.92 6.17 -9.16 -1.2 0
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22202 596258 1 N2O3C17H18 A2B3C17D18 -14.62 6.03 -9.58 -1.42 0
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22203 596276 1 BrSN2Cl3O7C12H12 ABC2D3E7F12G12 -266.42 1.91 -9.93 -1.62 0
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22204 596277 1 NCl2O5H15C17 AB2C5D15E17 -182.16 6.3 -9.25 -0.95 0
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22205 596280 1 FON2H5C8 ABC2D5E8 1.47 2.11 -10.2 -0.81 0
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22206 596282 2 NC5H8 AB5C8 4.51 3.88 -8.44 1.22 0
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22207 596283 2 NOC4H4 ABC4D4 -66.6 9.35 -9.46 -0.91 0
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22208 596284 1 ON4C7H8 AB4C7D8 66.85 2.09 -9.62 -0.74 0
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22210 596289 1 SC10H12 AB10C12 13.96 2.12 -8.55 0.18 0
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22211 596290 1 N2O3C10H12 A2B3C10D12 -29.75 6.35 -9.98 -1.34 0
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22212 596292 1 BrFN2O3H10C14 ABC2D3E10F14 -46.67 2.6 -9.44 -1.84 0
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22213 596304 1 NO3C17H19 AB3C17D19 -69.87 3.16 -8.62 -0.67 0
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22214 596306 1 ON2C9H12 AB2C9D12 -23.88 3.98 -9.74 -0.9 0
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22215 596307 1 SO2N3H13C15 AB2C3D13E15 -16.05 5.51 -8.76 -0.76 0
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22216 596308 1 ClNS2H14C15 ABC2D14E15 55.38 1.85 -8.92 -0.58 0
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22217 596314 1 ClNOH8C10 ABCD8E10 -6.54 3.8 -9.51 -1.17 0
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22218 596316 1 ClOSN3H14C16 ABCD3E14F16 12.62 8.13 -8.75 -0.98 0
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22219 596317 1 OSF3N3H12C16 ABC3D3E12F16 -126.17 1.77 -8.99 -0.92 0
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22220 596318 1 SN2C14H18 AB2C14D18 31.73 3.16 -8.37 -0.12 0
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22221 596324 1 OSiC11H16 ABC11D16 -41.69 1.67 -8.61 0.38 0
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22222 596329 1 NO4C18H21 AB4C18D21 -114.53 1.58 -8.32 -0.37 0
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22223 596330 1 ON2C9H12 AB2C9D12 -30.54 3.19 -9.07 -0.12 0
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22224 596331 1 BrN2O2C21H25 AB2C2D21E25 -81.37 5.5 -9.24 -0.44 0
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22225 596333 2 NC6H10 AB6C10 -9.12 0.01 -9.15 -0.06 0
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22226 596334 1 ON2F6C16H22 AB2C6D16E22 -389.63 6.04 -10.18 0.38 0
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22227 596335 2 OH2N2C3 AB2C2D3 -13.28 7.87 -9.88 -1.38 0
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22228 596336 1 SN3C10H13 AB3C10D13 62.28 3.55 -8.53 -0.27 0
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22229 596337 1 N3S4C13H15 A3B4C13D15 111.11 8.49 -8.75 -0.95 0
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22230 596347 1 O3N5C16H21 A3B5C16D21 -56.27 3.16 -8.71 0.0 0
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22231 596348 1 O3N4C8H10 A3B4C8D10 -69.09 9.36 -9.35 -0.9 0
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22232 596350 1 N5C18H19 A5B18C19 77.95 3.19 -8.61 -0.22 0
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22233 596353 2 NO2C5H6 AB2C5D6 -153.2 3.14 -8.56 0.0 0
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22234 596355 1 O5H16C17 A5B16C17 -149.63 3.34 -8.37 -0.48 0
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22235 596356 1 BrN3O4C10H10 AB3C4D10E10 -79.11 7.7 -9.89 -1.46 0
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22236 596357 1 ClO3N6H13C14 AB3C6D13E14 9.71 6.02 -9.26 -1.9 0
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22237 596358 1 OS2N3H15C16 AB2C3D15E16 34.1 4.98 -8.79 -0.73 0
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22238 596359 1 ClO2F3C20H20 AB2C3D20E20 -236.38 4.82 -10.15 -1.27 0
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22239 596360 1 O5C21H30 A5B21C30 -246.07 2.3 -9.87 0.54 0
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22240 596362 1 NO2C17H27 AB2C17D27 -73.72 1.29 -8.81 -0.19 0
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22241 596368 1 ON5C19H23 AB5C19D23 57.06 5.88 -8.61 -0.47 0
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22242 596373 2 OC5H6 AB5C6 -46.94 1.86 -8.51 0.11 0
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22243 596385 1 SN2O2H10C11 AB2C2D10E11 -11.32 3.99 -8.82 -0.78 0
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22244 596386 1 NSO3H9C11 ABC3D9E11 -45.46 6.82 -9.35 -1.56 0
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22245 596387 2 O2C9H10 A2B9C10 -118.3 4.52 -8.18 0.22 0
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22246 596388 1 SN2O2H18C19 AB2C2D18E19 -6.3 3.95 -8.93 -0.89 0
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22247 596389 1 NO5C20H23 AB5C20D23 -159.44 7.0 -8.43 0.02 0
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22248 596412 1 H4F8C9 A4B8C9 -350.39 3.71 -11.09 -0.82 0
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22249 596413 1 OSN2C16H16 ABC2D16E16 26.48 1.55 -8.41 -0.3 0
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22250 596414 1 SN3O3H13C16 AB3C3D13E16 30.35 10.21 -9.42 -1.35 0
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22251 596415 1 N2O6H16C17 A2B6C16D17 -65.2 4.19 -8.56 -1.84 0
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22252 596416 1 FOSN2H15C16 ABCD2E15F16 -7.16 2.44 -8.69 -0.44 0
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22253 596417 1 ClOSN2H15C16 ABCD2E15F16 25.4 2.73 -8.54 -0.3 0
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22254 596422 1 SO2N3C10H11 AB2C3D10E11 -26.09 3.7 -9.01 -0.77 0
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22255 596423 1 SN2O3C12H12 AB2C3D12E12 -93.36 7.53 -9.4 -1.02 0
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22256 596424 1 OF7H7C9 AB7C7D9 -363.34 5.2 -9.88 -0.4 0
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22257 596425 1 SO2N3C14H17 AB2C3D14E17 -42.58 1.07 -8.89 -0.64 0
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22258 596428 1 SN2O3C27H32 AB2C3D27E32 -74.33 8.09 -8.48 -0.7 0
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22259 596430 2 NOC10H14 ABC10D14 -25.17 2.94 -8.38 0.37 0
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22260 596432 1 N2O4C11H14 A2B4C11D14 -99.69 4.12 -9.09 -0.1 0
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22261 596436 1 O2N4C9H10 A2B4C9D10 -31.73 8.54 -9.74 -1.89 0
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22262 596444 1 OCl2N3H5C7 AB2C3D5E7 16.91 4.31 -9.99 -1.66 0
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22263 596445 3 O2C7H8 A2B7C8 -181.59 4.93 -8.41 0.02 0
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22264 596447 1 OCl2N5H13C14 AB2C5D13E14 2.83 5.42 -9.1 -0.85 0
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22265 596454 1 O5C11H12 A5B11C12 -209.74 6.61 -9.83 -0.76 0
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22266 596456 1 NO3C25H25 AB3C25D25 -38.72 4.3 -8.2 -0.47 0
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22267 596457 1 BrN2O4H15C16 AB2C4D15E16 -91.74 5.89 -8.67 -0.57 0
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22268 596459 1 NO3C9H9 AB3C9D9 -91.64 1.67 -10.61 -1.44 0
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22269 596464 1 FeSiO2C9H13 ABC2D9E13 -86.16 2.94 0.0 0.0 -5
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22270 596469 4 OC5H6 AB5C6 -82.74 6.32 -8.57 -0.42 0
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22271 596470 1 SN2O2C17H18 AB2C2D17E18 2.16 3.15 -8.34 -0.1 0
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22272 596473 1 O5C11H12 A5B11C12 -203.18 3.1 -9.44 -0.84 0
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22273 596481 1 OSN2C10H10 ABC2D10E10 -12.96 3.12 -8.75 -0.58 0
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22274 596494 1 O3C8H12 A3B8C12 -118.27 0.53 -10.44 -0.38 -4
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22275 596505 1 N2O3C13H18 A2B3C13D18 -117.51 6.18 -8.84 -0.68 0
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22276 596506 1 NO3F4H5C9 AB3C4D5E9 -299.74 4.83 -10.25 -1.62 0