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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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442312 135251264 1 SO2N9C26H31 AB2C9D26E31 56.65 9.22 -8.3 -1.11 0
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442313 135251282 1 SN2O5F6C17H24 AB2C5D6E17F24 -536.73 8.28 -9.98 -0.35 0
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442314 135251294 1 O5N8H22C23 A5B8C22D23 -31.59 6.3 -8.36 -1.17 0
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442315 135251295 1 N3F4O5C23H27 A3B4C5D23E27 -358.54 4.65 -8.93 0.04 0
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442316 135251302 1 N2O4C19H34 A2B4C19D34 -236.82 1.0 -9.37 0.92 0
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442317 135251311 1 N3O3F4C15H19 A3B3C4D15E19 -302.26 4.51 -9.83 -0.16 0
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442318 135251313 1 N2F3O4C18H27 A2B3C4D18E27 -337.73 3.74 -9.52 -0.23 0
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442319 135251314 1 SN2F3O6C18H29 AB2C3D6E18F29 -417.88 10.52 -9.64 0.02 0
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442320 135251316 1 NOSC8H17 ABCD8E17 -52.91 4.83 -8.74 0.12 0
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442321 135251322 1 NO5C15H17 AB5C15D17 -165.89 3.28 -9.06 -0.01 0
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442322 135251344 1 O2N3C11H23 A2B3C11D23 -112.46 5.7 -9.14 1.16 0
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442323 135251358 1 INPO2C16H17 ABCD2E16F17 -61.29 2.7 -8.52 -0.98 0
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442324 135251360 1 N2O3C11H22 A2B3C11D22 -153.65 2.34 -8.93 0.19 1
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442325 135251361 1 ON2C8H17 AB2C8D17 -39.19 4.83 0.0 0.0 1
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442326 135251362 1 NOC6H10 ABC6D10 -31.51 4.84 0.0 0.0 0
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442327 135251363 2 NOC5H10 ABC5D10 -95.12 5.28 -9.13 0.41 0
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442328 135251364 1 O2N3C12H25 A2B3C12D25 -122.0 1.82 -9.04 1.17 0
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442329 135251366 1 ON2C8H16 AB2C8D16 -50.12 5.22 -9.75 1.14 0
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442330 135251376 1 O2N3C10H21 A2B3C10D21 -112.01 6.95 -9.26 1.18 0
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442331 135251381 1 O2N3C10H21 A2B3C10D21 -111.92 6.95 -9.27 1.18 0
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442332 135251382 1 O2N3C9H19 A2B3C9D19 -114.42 2.07 -9.46 1.23 0
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442333 135251384 1 FO3N4C19H23 AB3C4D19E23 -66.09 4.91 -8.87 -0.31 0
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442334 135251400 1 N2O3C9H18 A2B3C9D18 -150.33 9.45 -9.58 0.51 0
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442335 135251408 1 ON2C9H20 AB2C9D20 -66.22 3.61 -9.11 1.38 0
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442336 135251413 1 N3O4C12H23 A3B4C12D23 -197.21 11.28 -8.92 0.19 0
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442337 135251417 1 N3O4C12H23 A3B4C12D23 -197.21 11.29 -8.93 0.2 1
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442338 135251419 1 ON2C9H19 AB2C9D19 -53.69 2.4 0.0 0.0 1
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442339 135251420 1 NOC7H12 ABC7D12 -44.04 4.8 0.0 0.0 0
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442340 135251424 1 N2O3C11H22 A2B3C11D22 -153.66 2.33 -8.93 0.19 1
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442341 135251440 1 NC7H16 AB7C16 -7.24 1.49 0.0 0.0 1
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442342 135251441 1 NOC7H12 ABC7D12 -44.05 4.82 0.0 0.0 0
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442343 135251446 1 N2O3C9H18 A2B3C9D18 -150.34 9.43 -9.58 0.5 1
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442344 135251450 1 NOC7H14 ABC7D14 -51.95 4.26 0.0 0.0 0
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442345 135251463 5 NOH3C4 ABC3D4 -32.44 9.91 -9.06 -2.02 0
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442346 135251469 1 N2O2C9H18 A2B2C9D18 -98.4 3.57 -9.36 0.43 0
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442347 135251489 1 OSN4C14H18 ABC4D14E18 35.44 4.35 -8.22 -0.62 0
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442348 135251490 1 ClOH2N2F3C7 ABC2D2E3F7 -149.39 3.66 -10.25 -1.8 0
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442349 135251491 1 SO2N7C26H33 AB2C7D26E33 -6.03 5.22 -8.31 -0.79 0
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442350 135251512 1 N5C21H27 A5B21C27 65.56 3.75 -8.89 -0.61 0
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442351 135251518 1 NO4C25H39 AB4C25D39 -194.83 1.59 -8.21 0.23 0
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442352 135251537 1 BrClO2N4H14C17 ABC2D4E14F17 30.26 6.72 -8.85 -0.89 0
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442353 135251553 1 N2O4C15H22 A2B4C15D22 -151.71 4.78 -9.11 -0.19 0
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442354 135251556 3 FC4H5 AB4C5 -147.31 2.39 -9.52 -0.24 0
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442355 135251557 6 FC2H2 AB2C2 -297.43 5.8 -10.08 -1.16 0
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442356 135251558 1 F2C13H18 A2B13C18 -107.59 2.13 -9.11 0.07 0
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442357 135251559 1 N2S2F3O5C17H25 A2B2C3D5E17F25 -339.37 8.44 -9.54 -1.23 0
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442358 135251560 1 S2O4F5H5C8 A2B4C5D5E8 -362.75 2.01 -10.59 -1.68 0
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442359 135251565 3 FC5H7 AB5C7 -176.15 4.44 -8.82 -0.08 0
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442360 135251566 1 O5N17H33C35 A5B17C33D35 187.91 6.16 -9.11 -1.37 0
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442361 135251567 1 O5N17H31C34 A5B17C31D34 201.36 8.84 -9.2 -1.42 0