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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3187 9294 1 NOC10H15 ABC10D15 -30.32 3.25 -9.15 0.36 0
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3188 9297 1 NOC8H15 ABC8D15 -56.01 3.72 -10.24 1.03 0
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3189 9301 1 BrNO2C8H14 ABC2D8E14 -91.38 2.76 -8.8 -0.01 0
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3190 9303 1 I2N2O5C11H16 A2B2C5D11E16 -171.66 10.03 -8.89 -1.11 0
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3191 9307 1 NO4C10H13 AB4C10D13 -151.9 3.82 -8.9 -0.27 0
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3192 9308 1 NO2C9H20 AB2C9D20 -81.32 2.14 0.0 0.0 1
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3193 9309 1 C9H10 A9B10 32.61 0.36 -9.36 0.39 0
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3194 9311 1 N2C13H32 A2B13C32 101.45 0.22 -2.0 -0.59 2
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3195 9312 1 NOC5H7 ABC5D7 2.46 3.17 -10.0 0.29 0
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3196 9314 1 AsClO3C7H14 ABC3D7E14 -128.9 1.82 -10.32 -0.47 0
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3197 9315 1 AlO5C36H71 AB5C36D71 -288.65 1.29 -9.36 -0.04 0
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3198 9316 1 O2C19H32 A2B19C32 -104.87 1.9 -9.4 0.81 0
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3200 9318 1 SnO4C16H30 AB4C16D30 -152.03 1.32 -6.07 -1.3 0
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3201 9319 1 NSO2C15H27 ABC2D15E27 -106.35 5.18 -9.63 -0.64 0
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3202 9322 1 CNS ABC 68.03 2.53 0.0 0.0 -1
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3203 9323 1 CSN2O4H8 ABC2D4E8 -162.12 7.67 -10.8 0.15 0
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3204 9324 1 ClO4C23H29 AB4C23D29 -187.41 3.59 -9.75 -0.86 0
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3205 9326 1 NO11C34H47 AB11C34D47 -339.8 4.39 -8.65 -0.62 0
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3206 9327 2 ON2C20H23 AB2C20D23 156.78 11.02 -5.02 -0.5 2
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3207 9328 2 NO6C19H22 AB6C19D22 -414.12 8.33 -8.52 -0.6 0
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3208 9330 1 NO3C20H25 AB3C20D25 -90.59 2.7 -8.88 -0.11 0
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3209 9331 1 ON4C27H34 AB4C27D34 19.96 6.85 -8.65 -0.06 0
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3210 9332 1 PN3O3C7H14 AB3C3D7E14 -137.14 3.24 -10.01 -0.01 0
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3211 9334 1 NOCl3C5H12 ABC3D5E12 -63.42 5.06 -9.56 -0.05 0
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3212 9335 1 NOCl2C5H11 ABC2D5E11 -29.69 4.26 -9.72 -0.03 0
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3213 9336 1 BrNOC10H16 ABCD10E16 -28.33 12.64 -8.02 -0.79 0
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3214 9337 2 ClC2F3 AB2C3 -316.76 2.25 -10.89 -1.79 0
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3215 9338 1 O4H6C7 A4B6C7 -158.27 5.97 -9.72 -0.96 0
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3216 9339 1 N2O5C10H12 A2B5C10D12 -62.52 3.26 -10.29 -1.88 0
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3217 9340 1 ClN2C17H19 AB2C17D19 48.0 2.08 -8.93 -0.1 0
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3218 9341 1 NO5C16H27 AB5C16D27 -227.48 2.55 -9.1 0.36 0
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3219 9342 1 NO7C21H33 AB7C21D33 -308.07 1.46 -9.06 -0.06 0
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3220 9347 2 O2C22H33 A2B22C33 -147.36 3.87 -8.99 -1.57 0
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3221 9348 1 O3H10C13 A3B10C13 -82.34 7.42 -9.79 -0.92 0
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3222 9349 1 FOH17C21 ABC17D21 -4.85 2.42 -8.66 -0.2 0
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3223 9350 1 FH15C20 AB15C20 36.83 1.97 -9.28 -0.22 0
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3224 9351 1 ClN4C8H9 AB4C8D9 54.01 8.01 -9.42 -1.49 0
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3225 9352 1 N2O2H16C17 A2B2C16D17 -56.69 4.88 -8.09 -0.31 0
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3226 9353 2 NC6H8 AB6C8 18.4 1.8 -8.3 0.11 0
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3227 9355 1 NNaO8C14H26 ABC8D14E26 -449.57 8.67 -9.21 0.02 0
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3228 9356 1 NO8C14H27 AB8C14D27 -387.93 7.0 -9.12 0.16 0
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3229 9357 1 KNaC4H4O6 ABC4D4E6 -365.4 1.83 -9.06 0.51 0
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3231 9360 1 NO20C43H79 AB20C43D79 -1003.29 8.77 -9.04 0.17 0
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3232 9362 1 ON2H8C12 AB2C8D12 73.3 0.69 -8.84 -1.58 0
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3233 9364 1 O4H6C9 A4B6C9 -104.3 5.68 -8.76 -1.46 0
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3234 9365 1 O2N5C23H25 A2B5C23D25 -15.27 4.16 -8.49 -0.42 0
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3235 9368 1 INaC2H2O2 ABC2D2E2 -114.3 6.27 -9.43 -0.64 0
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3236 9372 1 ClNO2C12H14 ABC2D12E14 -28.22 2.14 -9.33 0.2 0
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3237 9373 1 ClNC11H14 ABC11D14 40.65 5.27 -9.68 -0.03 0
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3238 9374 1 BrNPO5C7H9 ABCD5E7F9 -221.92 2.86 -9.58 -0.53 0
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3239 9375 1 ON2C12H18 AB2C12D18 -25.66 2.82 -9.29 0.24 0
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3240 9377 1 BrNOC9H14 ABCD9E14 -64.12 6.94 -9.3 -0.34 0
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3241 9380 2 CClNH5 ABCD5 -58.9 4.92 -9.11 1.56 0
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3242 9381 1 NO2C3H5 AB2C3D5 -22.51 5.46 -8.88 -0.84 0
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3243 9383 1 N3C13H33 A3B13C33 106.56 1.54 -2.49 -0.04 2
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3244 9384 2 Cl2N2C5H15 A2B2C5D15 -167.35 4.12 -9.28 1.27 0
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3245 9386 2 C5F9 A5B9 -870.75 0.0 -13.65 -0.91 0
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3246 9387 2 C4F9 A4B9 -894.56 0.11 -13.79 -0.78 0
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3247 9389 1 BrC10F21 AB10C21 -1024.04 0.69 -11.93 -2.11 0
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3248 9391 1 NaN2O3C14H17 AB2C3D14E17 -119.48 8.07 -9.31 0.11 0
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3249 9393 2 ClON2C17H25 ABC2D17E25 -53.69 23.41 -8.03 -1.34 0
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3250 9394 2 ON2C17H25 AB2C17D25 9.02 14.66 -6.22 -1.01 2
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3251 9396 1 ClPO4C6H12 ABC4D6E12 -243.23 4.0 -9.51 0.19 0
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3252 9397 1 NC12F27 AB12C27 -1333.34 0.27 -12.11 -1.98 0
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3253 9398 1 SF2N2H6O6C12 AB2C2D6E6F12 -121.47 1.52 -11.45 -2.11 0
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3254 9399 2 BrNO2C12H17 ABC2D12E17 -140.36 12.37 -8.27 -0.9 0
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3255 9401 1 OC27H44 AB27C44 -103.69 1.85 -9.16 1.43 0
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3256 9403 1 O3C26H36 A3B26C36 -170.43 2.04 -8.72 0.28 0
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3257 9404 1 O3N4C7H18 A3B4C7D18 -46.08 4.57 -8.96 -1.4 0
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3258 9405 1 N3C7H17 A3B7C17 -8.6 2.93 -9.01 1.4 0
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3259 9407 4 H4C5 A4B5 76.42 1.26 -8.17 -0.76 0
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3260 9408 1 NH9C15 AB9C15 72.13 2.76 -8.78 -1.29 0
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3262 9411 1 BrN2O2C9H13 AB2C2D9E13 -100.05 3.96 -9.64 -0.6 0
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3263 9412 1 BrN2O2C8H11 AB2C2D8E11 -96.3 4.19 -9.64 -0.62 0
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3264 9413 1 O3N5C20H27 A3B5C20D27 -81.14 5.06 -8.73 -0.5 0