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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15246 434577 1 O7C19H24 A7B19C24 -285.62 7.68 -9.8 0.17 0
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15247 434578 1 O8C21H26 A8B21C26 -339.38 4.25 -10.2 -0.01 0
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15248 434651 1 N2O3C17H24 A2B3C17D24 -63.07 3.81 -8.59 -0.62 0
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15249 434659 1 N2C13H22 A2B13C22 -8.44 1.91 -8.23 1.25 0
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15250 434663 1 CoBr2N2O2C22H26 AB2C2D2E22F26 -23.03 30.19 0.0 0.0 0
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15251 434664 1 CuN2O2H28C30 AB2C2D28E30 87.94 8.03 0.0 0.0 0
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15252 434691 2 N3H8C10 A3B8C10 175.73 4.37 -9.17 -1.7 0
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15255 434823 1 NSSnO2C17H19 ABCD2E17F19 21.06 5.53 -7.29 -1.3 -2
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15256 434826 1 NSnO3C12H19 ABC3D12E19 -95.44 6.6 -10.26 -0.86 0
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15257 434842 1 PSN2O7C9H11 ABC2D7E9F11 -305.49 2.8 -10.06 -1.21 0
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15258 435146 1 SN3O4C6H7 AB3C4D6E7 -81.69 5.71 -9.92 -1.71 0
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15259 435219 2 O4C14H19 A4B14C19 -355.32 4.72 -9.26 -0.61 0
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15260 435226 1 ON2C10H16 AB2C10D16 -41.02 4.56 -9.17 0.43 0
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15261 435287 1 ClO2N3C22H32 AB2C3D22E32 -38.04 3.84 -8.18 -0.34 0
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15262 435312 1 O2N4C7H8 A2B4C7D8 -3.15 1.53 -9.15 -1.15 0
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15263 435318 1 NOC16H23 ABC16D23 -44.02 3.38 -8.55 0.33 0
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15264 435450 1 ClON2C15H19 ABC2D15E19 -13.63 3.16 -8.98 -0.22 0
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15265 435496 1 SC2O2H6 AB2C2D6 -83.6 3.18 -8.93 0.32 0
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15266 435547 1 NO4H9C10 AB4C9D10 -112.45 4.04 -8.69 -0.5 0
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15267 435557 1 N2O3C12H18 A2B3C12D18 -52.06 4.77 -8.57 -1.16 0
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15268 435560 2 O4C11H14 A4B11C14 -305.88 3.21 -10.16 -1.34 0
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15269 435563 1 OSN3H9C11 ABC3D9E11 74.05 3.08 -8.89 -1.21 0
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15270 435565 2 NO3H6C7 AB3C6D7 -158.83 0.89 -8.6 -0.5 0
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15271 435573 1 N2O8C17H22 A2B8C17D22 -323.54 6.79 -8.46 -0.3 0
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15272 435576 1 CuCl2N2S2H15C24 AB2C2D2E15F24 133.8 10.92 -8.36 -2.54 1
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15273 435577 1 N2S2H15C24 A2B2C15D24 132.5 2.37 0.0 0.0 1
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15274 435581 1 PC4H4N4 AB4C4D4 96.89 2.24 0.0 0.0 0
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15275 435598 1 NOSC14H16 ABCD14E16 -11.52 4.73 0.0 0.0 0
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15276 435623 1 N5O5C16H20 A5B5C16D20 -151.27 5.98 0.0 0.0 1
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15277 435677 1 O2N5C18H23 A2B5C18D23 -43.48 4.91 -8.75 -0.89 0
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15278 435696 1 SN4O4H10C12 AB4C4D10E12 -2.15 5.32 -9.85 -1.35 0
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15279 435730 1 NO4H21C23 AB4C21D23 -64.39 2.56 -7.74 -1.71 0
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15280 435744 1 N10C21H22 A10B21C22 207.8 4.15 -8.65 -1.13 0
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15281 435803 2 O2N3C12H17 A2B3C12D17 -136.27 3.36 -8.46 -0.06 0
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15282 435818 2 N2O3C11H13 A2B3C11D13 -61.69 7.27 -9.24 -1.68 0
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15283 435829 1 ON4H18C23 AB4C18D23 123.42 2.17 -9.02 -0.99 0
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15284 435910 1 OCl2N2C18H26 AB2C2D18E26 46.59 10.26 -7.38 -0.78 0
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15285 435948 1 ClS2H30C40 AB2C30D40 159.34 1.67 0.0 0.0 1
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15286 436088 1 ClPtO2N3C13H20 ABC2D3E13F20 82.47 7.5 -9.39 -2.84 -3
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15287 436142 1 INO3C9H9 ABC3D9E9 -68.71 5.55 0.0 0.0 1
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15288 436163 1 NO2C11H15 AB2C11D15 -75.42 2.47 -9.17 0.15 0
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15289 436164 1 AsNOC11H18 ABCD11E18 30.53 1.71 -7.82 0.6 0
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15290 436246 1 FeNO2Cl5H19C24 ABC2D5E19F24 -52.73 10.95 0.0 0.0 1
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15291 436272 1 BrNOC26H34 ABCD26E34 -28.27 2.95 -8.64 -0.9 0
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15292 436273 1 BrNOC27H34 ABCD27E34 -20.06 2.06 -8.6 -1.25 0
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15293 436368 1 NSO5H11C16 ABC5D11E16 -109.99 8.12 -9.49 -2.11 0
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15294 436408 1 ON2C23H24 AB2C23D24 44.87 2.17 -7.99 -0.66 0
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15295 436434 1 NO2C25H25 AB2C25D25 -11.09 1.67 -8.84 -0.66 0
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15296 436489 1 ON2C12H18 AB2C12D18 -18.1 3.55 -9.28 -0.38 0
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15297 436555 1 NO2C19H19 AB2C19D19 -19.57 4.8 -8.47 -0.65 0
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15298 436556 1 NOC19H21 ABC19D21 -9.04 3.75 -8.73 -0.75 0
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15299 436557 1 NOC19H25 ABC19D25 -30.56 1.54 -8.63 -0.45 0
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15300 436558 1 ON2C20H24 AB2C20D24 2.81 1.84 -8.28 -0.74 0
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15301 436559 1 NOC21H21 ABC21D21 9.11 2.67 -8.82 -0.81 0
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15302 436578 1 ClN2H23C24 AB2C23D24 78.5 7.59 -7.88 -0.33 0
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15303 436615 2 NC12H25 AB12C25 78.94 0.82 -1.94 -0.48 2
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15304 436764 1 N3H5C6 A3B5C6 102.08 3.95 -10.44 -1.48 0
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15305 436798 1 SN4C10H12 AB4C10D12 66.56 3.71 -8.62 -0.54 0
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15306 436984 1 NC13H20 AB13C20 35.26 4.44 0.0 0.0 1
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15307 437013 1 OH6C13 AB6C13 521.11 2.25 -8.41 -1.32 -10
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15308 437024 2 NC7H11 AB7C11 12.25 2.03 -8.38 0.4 0
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15309 437154 2 NO2H15C18 AB2C15D18 -45.15 4.62 -9.2 -0.71 0
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15310 437502 1 N4C5H8 A4B5C8 55.84 3.46 -8.15 0.03 0
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15311 437736 2 N3O3H20C21 A3B3C20D21 -130.34 6.98 -8.3 -0.27 0
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15312 437848 1 NBr2Cl2C7H13 AB2C2D7E13 -33.66 2.42 -9.41 -0.84 0
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15313 437854 6 Cl2H2O2C3 A2B2C2D3 -553.13 3.75 -11.0 -1.18 0
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15314 437866 2 ON2C6H9 AB2C6D9 -55.37 3.22 -9.65 0.07 0
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15315 437923 1 O2H4C5N6 A2B4C5D6 124.05 1.12 -10.25 -2.33 0
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15316 437977 1 ClSN3O4H16C21 ABC3D4E16F21 -48.66 5.68 -9.28 -1.43 0
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15318 438020 2 O3H10C13 A3B10C13 -152.66 4.19 -8.9 -0.98 0
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15319 438021 2 O4H18C21 A4B18C21 -162.82 4.09 -8.26 -0.92 0
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15320 438025 2 O3H5C7 A3B5C7 -174.78 2.38 -10.7 -2.36 0
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15322 438027 1 O9H26C29 A9B26C29 -270.78 11.72 -8.18 -1.11 0
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15323 438028 1 O8H32C41 A8B32C41 -147.35 9.5 -8.68 -1.47 0
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15324 438029 2 O3H12C14 A3B12C14 -142.3 5.77 -8.69 -0.8 0
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15325 438030 1 NO3H11C13 AB3C11D13 -95.69 5.3 -8.87 -1.51 0
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15326 438031 1 NSiO6C25H39 ABC6D25E39 -316.15 5.33 -8.65 -0.7 0
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15327 438032 1 NO3H9C13 AB3C9D13 -67.51 4.59 -8.93 -1.54 0
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15329 438041 1 N3H15C17 A3B15C17 87.43 3.45 -8.47 -0.41 0
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15330 438042 1 ClN3O6C20H24 AB3C6D20E24 -97.33 6.35 -8.4 -0.6 0
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15331 438072 1 PtN2S2O10C18H30 AB2C2D10E18F30 -341.27 8.85 -8.7 -1.11 0
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15333 438187 1 BrO2F3N3H14C22 AB2C3D3E14F22 -105.48 6.67 0.0 0.0 1
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15334 438193 1 SO4N6H14C20 AB4C6D14E20 71.03 7.97 -9.64 -1.81 0
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15335 438200 2 O5H7C15 A5B7C15 -339.95 4.08 -8.76 -2.67 0
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15336 438250 1 NSnO4C18H18 ABC4D18E18 -21.32 8.17 0.0 0.0 -1
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15339 438327 1 SN2O2H6C7 AB2C2D6E7 0.5 3.18 -10.39 -1.12 2
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15340 438404 1 HC5 AB5 311.34 1.04 0.0 0.0 -3
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15343 438475 1 TiN3O4H31C32 AB3C4D31E32 -1.64 7.11 -8.57 -2.5 -2
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15344 438550 1 O2N4C21H24 A2B4C21D24 -11.51 2.49 -8.41 -0.99 0
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15345 438552 2 ON2C10H11 AB2C10D11 -4.14 3.25 -8.39 -0.97 0
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15346 438570 1 ON4C19H20 AB4C19D20 29.02 2.55 -8.28 -0.85 0
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15347 438574 1 F3N5O5C12H15 A3B5C5D12E15 -294.04 3.81 0.0 0.0 1
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15348 438579 4 ON2C26H40 AB2C26D40 -122.85 2.39 -8.87 -1.55 0
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15349 438587 1 NNiO6C13H14 ABC6D13E14 -183.23 9.21 0.0 0.0 0
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15354 438615 1 N2P2C6O7H14 A2B2C6D7E14 -384.06 4.97 -9.98 -0.66 0
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15355 438651 1 N5O5C10H13 A5B5C10D13 -152.09 3.53 -9.81 -0.71 2
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15356 439294 2 C3O3H5 A3B3C5 -257.28 2.57 -10.74 -0.52 0
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15357 439329 1 O6C19H24 A6B19C24 -266.47 6.78 -10.38 0.13 0
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15358 439338 1 OC21H34 AB21C34 -31.9 3.54 -9.51 0.44 0
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15359 439412 1 O11C21H22 A11B21C22 -418.73 7.53 -9.31 -0.93 0