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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214270 84974850 1 O2N3C22H29 A2B3C22D29 -63.59 5.65 -8.21 -0.21 1
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214271 84974856 1 BrSO2N3C14H19 ABC2D3E14F19 -20.89 8.35 0.0 0.0 0
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214272 84974861 1 ClN2S2O3C14H21 AB2C2D3E14F21 -102.27 3.25 -8.71 -1.22 0
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214273 84974865 1 ClS2N3O3C11H16 AB2C3D3E11F16 -95.96 2.1 -9.02 -1.32 1
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214274 84974866 1 ClO2S2N3C11H15 AB2C2D3E11F15 -1.42 7.83 0.0 0.0 1
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214275 84974874 1 ClS2N3O3C17H27 AB2C3D3E17F27 -96.91 4.54 0.0 0.0 0
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214276 84974887 1 SO3N4C19H22 AB3C4D19E22 -45.76 9.08 -7.86 -1.35 0
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214277 84974889 1 BrO2N4C15H17 AB2C4D15E17 -39.22 1.09 -9.18 -1.18 0
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214278 84974890 1 FON2C18H19 ABC2D18E19 -28.58 4.57 -8.15 -0.58 1
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214279 84974891 1 O2N3C21H26 A2B3C21D26 -41.55 4.07 0.0 0.0 1
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214280 84974894 1 O3N4C18H27 A3B4C18D27 -103.84 3.36 0.0 0.0 1
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214281 84974899 1 O2N3C17H24 A2B3C17D24 -66.81 1.03 0.0 0.0 1
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214282 84974902 1 ClO2N3C16H23 AB2C3D16E23 -78.75 1.42 0.0 0.0 0
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214283 84974903 1 ClO2N3C16H22 AB2C3D16E22 -99.84 1.06 -8.94 0.03 0
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214284 84974905 1 SN3O4C18H25 AB3C4D18E25 -157.08 6.94 -8.65 -0.64 1
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214285 84974913 1 N2O4C18H23 A2B4C18D23 -129.52 8.22 0.0 0.0 0
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214286 84974914 2 NO2C9H11 AB2C9D11 -135.79 3.58 -9.04 -0.87 0
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214287 84974919 1 O2N3C19H31 A2B3C19D31 -128.96 4.67 -9.4 0.95 0
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214288 84974927 1 BrO2N3C15H20 AB2C3D15E20 -78.67 4.11 -9.05 -0.43 0
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214289 84974932 2 NOC10H12 ABC10D12 -30.19 3.24 -8.15 -0.4 1
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214290 84974934 1 N3O4C17H24 A3B4C17D24 -133.08 1.41 0.0 0.0 0
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214291 84974935 1 N3O4C17H23 A3B4C17D23 -153.85 4.93 -8.48 -0.21 0
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214292 84974939 1 O2N3C21H25 A2B3C21D25 -56.98 4.15 -8.93 -0.15 1
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214293 84974948 1 O3N4C21H25 A3B4C21D25 -74.08 4.74 0.0 0.0 1
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214294 84974966 1 N3O3C22H28 A3B3C22D28 -71.75 2.44 0.0 0.0 1
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214295 84974968 1 N3O3C16H24 A3B3C16D24 -102.52 6.46 0.0 0.0 0
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214296 84974985 1 ClN2O3C21H25 AB2C3D21E25 -73.08 0.71 -8.18 -0.62 0
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214297 84974989 1 O2N3C18H27 A2B3C18D27 -84.04 1.03 -9.11 0.2 1
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214298 84974990 1 O2N3C16H30 A2B3C16D30 -106.38 2.77 0.0 0.0 0
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214299 84974994 1 BrOSN2C16H17 ABCD2E16F17 30.84 3.21 -8.22 -1.2 1
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214300 84974995 1 O2N3C19H24 A2B3C19D24 -44.22 2.33 0.0 0.0 0
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214301 84974997 1 ClON4C20H27 ABC4D20E27 1.3 2.72 -8.07 -0.4 0
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214302 84974998 1 F2N2O3C21H24 A2B2C3D21E24 -173.39 6.95 -8.26 -0.81 1
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214303 84974999 1 OSN3C17H22 ABC3D17E22 6.68 14.09 0.0 0.0 0
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214304 84975002 1 N3O4C18H27 A3B4C18D27 -166.88 4.76 -7.93 0.19 0
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214305 84975004 2 ON2C8H13 AB2C8D13 -94.99 4.11 -9.39 0.5 0
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214306 84975008 1 O2N3C20H23 A2B3C20D23 -26.01 5.36 -8.18 -0.78 1
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214307 84975031 1 Cl2O2N3C16H22 A2B2C3D16E22 -81.95 1.29 0.0 0.0 1
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214308 84975033 1 O2N3C16H24 A2B3C16D24 -66.72 1.97 0.0 0.0 0
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214309 84975036 1 N2O2C23H26 A2B2C23D26 -30.93 6.39 -8.2 -0.52 0
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214310 84975038 1 OSN2C17H20 ABC2D17E20 10.63 3.64 -8.18 -0.81 0
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214311 84975043 1 ClO2N3C16H22 AB2C3D16E22 -85.53 2.36 -9.2 -0.16 0
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214312 84975047 1 BrON2C18H19 ABC2D18E19 20.71 3.75 -8.22 -0.51 1
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214313 84975048 1 N3O4C18H28 A3B4C18D28 -128.67 3.51 0.0 0.0 0
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214314 84975049 1 N3O4C18H27 A3B4C18D27 -151.2 6.14 -8.98 -0.25 0
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214315 84975050 1 ON2C19H22 AB2C19D22 7.99 4.31 -8.18 -0.37 0
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214316 84975054 1 O2N3C21H25 A2B3C21D25 -31.87 4.07 -8.2 -0.55 0
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214317 84975055 1 OSN2C16H18 ABC2D16E18 22.64 3.84 -8.2 -0.93 0
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214318 84975060 1 N3O3C21H25 A3B3C21D25 -91.93 3.77 -8.44 -0.13 0
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214319 84975076 1 ClN2O4C22H23 AB2C4D22E23 -141.94 5.89 -9.17 -0.94 0
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214320 84975079 1 ClN2O3C20H21 AB2C3D20E21 -62.95 3.4 -8.19 -0.71 1
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214321 84975080 1 ON2C19H23 AB2C19D23 3.54 5.12 0.0 0.0 0
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214322 84975081 1 ON2C19H22 AB2C19D22 -6.21 2.79 -9.02 -0.1 0
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214323 84975087 1 ClO2N3C16H22 AB2C3D16E22 -94.58 4.3 -9.34 -0.23 1
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214324 84975092 1 ClO2N3C16H23 AB2C3D16E23 -72.39 3.07 0.0 0.0 0
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214325 84975117 1 O2N3C18H27 A2B3C18D27 -102.51 1.36 -9.04 0.34 0
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214326 84975119 1 Cl2O3N4C17H22 A2B3C4D17E22 -128.64 4.18 -9.36 -0.56 1
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214327 84975121 1 O2N3C20H30 A2B3C20D30 -65.84 2.56 0.0 0.0 0
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214328 84975128 1 FN2O2C19H21 AB2C2D19E21 -66.34 7.8 -8.19 -0.66 0
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214329 84975151 1 O2N3C16H23 A2B3C16D23 -84.48 5.01 -8.92 0.18 1
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214330 84975168 1 SN3O3C23H32 AB3C3D23E32 -71.7 8.26 0.0 0.0 0
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214331 84975170 1 ClN2O3C21H23 AB2C3D21E23 -66.89 1.52 -8.2 -0.7 0
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214332 84975174 3 NOC5H7 ABC5D7 -117.51 1.95 -8.71 0.06 0
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214333 84975176 1 ClN3O5C18H22 AB3C5D18E22 -224.0 6.47 -9.23 -1.19 1
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214334 84975188 1 O2N3C18H28 A2B3C18D28 -78.42 4.14 0.0 0.0 0
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214335 84975189 1 O2N3C18H27 A2B3C18D27 -99.14 2.49 -8.54 0.21 0
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214336 84975203 1 N3O3C20H23 A3B3C20D23 -78.82 2.33 -8.95 -0.32 0
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214337 84975204 1 SF2N4O4C16H20 AB2C4D4E16F20 -258.56 8.12 -9.34 -0.8 1
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214338 84975208 1 BrO2N3C15H21 AB2C3D15E21 -64.15 5.59 0.0 0.0 0
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214339 84975212 1 SN2O3C19H22 AB2C3D19E22 -73.07 2.11 -8.86 -0.97 1
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214340 84975217 1 N3O3C15H22 A3B3C15D22 -93.42 2.68 0.0 0.0 1
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214341 84975219 1 ClO2N3C15H21 AB2C3D15E21 -64.26 4.43 0.0 0.0 0
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214342 84975220 1 ClO2N3C15H20 AB2C3D15E20 -83.96 6.13 -9.33 -0.52 0
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214343 84975221 1 SCl2N2O3C18H18 AB2C2D3E18F18 -75.79 6.71 -9.6 -1.11 1
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214344 84975227 1 N3O3C17H26 A3B3C17D26 -102.32 5.52 0.0 0.0 0