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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223557 85335228 1 OF3N6C21H21 AB3C6D21E21 -68.56 4.57 -9.1 -1.42 0
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223558 85335229 1 ClOSN2C24H27 ABCD2E24F27 -0.69 1.63 -8.7 -0.69 0
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223559 85335231 1 NO6C24H29 AB6C24D29 -174.94 6.23 -8.06 0.06 0
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223560 85335233 1 ClO2N5C22H30 AB2C5D22E30 -77.26 1.8 -8.23 0.2 0
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223561 85335240 1 ClSO2N6C19H19 ABC2D6E19F19 23.71 7.51 -9.24 -1.83 0
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223562 85335242 1 NO4C26H41 AB4C26D41 -217.61 6.37 -9.86 -0.94 0
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223563 85335243 1 NSSiO5C20H37 ABCD5E20F37 -329.29 2.76 -9.03 0.17 0
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223564 85335244 1 O3C28H46 A3B28C46 -186.83 4.25 -8.67 0.07 0
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223565 85335245 2 O4C11H20 A4B11C20 -414.54 4.56 -10.05 0.3 0
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223567 85335247 1 O2N3F4H19C22 A2B3C4D19E22 -210.85 5.32 -9.78 -0.99 0
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223568 85335249 1 NO6C24H35 AB6C24D35 -209.48 2.93 -9.84 -1.11 0
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223569 85335250 1 NO3C28H35 AB3C28D35 -78.85 3.61 -9.21 -0.96 0
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223570 85335251 1 O2N7C23H33 A2B7C23D33 -14.51 5.23 -8.37 -0.8 0
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223571 85335252 1 ClSN2O4C21H25 ABC2D4E21F25 -142.63 3.58 -9.81 -0.99 0
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223572 85335255 1 ClSN3O4C20H24 ABC3D4E20F24 -136.23 5.03 -9.64 -0.95 0
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223573 85335256 1 OCl2N3C24H29 AB2C3D24E29 -17.59 7.55 -8.77 -0.06 0
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223574 85335257 1 Cl2O2N5C20H29 A2B2C5D20E29 -50.33 2.83 -9.14 -0.86 0
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223575 85335258 1 ClSO3N4C20H27 ABC3D4E20F27 -105.37 5.15 -8.99 -0.88 0
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223576 85335262 1 OF3N3H24C25 AB3C3D24E25 -129.21 3.8 -7.98 -1.26 0
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223577 85335263 1 ClSN3O4C20H26 ABC3D4E20F26 -153.74 2.39 -8.92 -0.94 0
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223578 85335264 1 ClOSN5C22H22 ABCD5E22F22 49.3 5.78 -8.88 -1.42 0
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223579 85335265 1 FO4N6C21H21 AB4C6D21E21 -49.84 5.43 -8.19 -0.95 0
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223580 85335266 1 FSO5N6C17H21 ABC5D6E17F21 -141.04 4.31 -9.5 -1.14 0
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223581 85335267 1 Cl2N4O4C19H24 A2B4C4D19E24 -170.31 4.19 -9.44 -0.53 0
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223583 85335272 1 ON8C24H34 AB8C24D34 57.99 4.01 -8.86 -0.18 0
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223584 85335275 1 ClSN3O3C22H24 ABC3D3E22F24 -82.94 5.81 -8.86 -1.12 0
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223585 85335277 1 FN2O3C26H39 AB2C3D26E39 -155.64 8.77 -9.08 -0.74 0
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223586 85335278 1 ClO3N4H21C24 AB3C4D21E24 -35.65 1.64 -9.44 -0.99 0
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223587 85335279 1 ClN2O2C27H27 AB2C2D27E27 -6.08 3.18 -8.96 -0.44 0
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223588 85335281 1 O2N7C24H27 A2B7C24D27 104.95 13.97 -8.14 -2.47 0
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223589 85335282 1 NSO6C23H29 ABC6D23E29 -209.96 2.35 -8.1 -0.35 0
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223590 85335283 1 NSO6C23H29 ABC6D23E29 -204.09 2.55 -8.45 -0.11 0
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223592 85335285 1 O3N4C26H32 A3B4C26D32 -83.89 5.63 -8.72 -0.22 0
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223593 85335286 1 SO5C25H36 AB5C25D36 -218.23 1.34 -8.82 0.16 1
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223594 85335287 1 O3N7C23H28 A3B7C23D28 -16.85 1.93 0.0 0.0 0
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223595 85335288 1 OSF3N3C23H26 ABC3D3E23F26 -145.63 6.29 -8.74 -0.77 0
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223596 85335289 1 ClSO3N4C21H27 ABC3D4E21F27 -100.84 3.18 -9.67 -1.04 0
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223597 85335290 1 ClSO3N4C21H27 ABC3D4E21F27 -86.12 2.53 -9.2 -0.47 0
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223598 85335291 1 FCl2O2N4C21H21 AB2C2D4E21F21 -64.74 6.08 -8.9 -1.44 0
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223599 85335293 1 N5O7C20H29 A5B7C20D29 -289.96 3.4 -9.18 -0.39 0
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223600 85335294 1 OF3N3H24C26 AB3C3D24E26 -125.73 4.22 -7.96 -0.95 0
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223601 85335295 1 SN3O5H21C23 AB3C5D21E23 -70.84 7.48 -8.68 -0.74 0
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223602 85335296 1 ClSN3O4C21H26 ABC3D4E21F26 -142.98 1.45 -9.69 -0.92 0
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223603 85335297 2 NF2O2H10C11 AB2C2D10E11 -302.23 3.52 -9.65 -0.94 0
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223604 85335298 1 N2O3H28C29 A2B3C28D29 -33.92 4.19 -8.21 -0.92 0
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223605 85335299 1 ClO3N4C24H25 AB3C4D24E25 -71.26 3.97 -8.61 -0.85 0
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223606 85335300 1 OF3N3C26H26 AB3C3D26E26 -136.67 1.66 -8.22 -1.29 0
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223607 85335302 1 ClSO3N5C20H28 ABC3D5E20F28 -96.57 4.35 -9.51 -1.24 0
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223608 85335303 1 N2O2F3C26H33 A2B2C3D26E33 -254.52 3.78 -9.03 -0.41 0
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223609 85335304 1 O2S2N6C21H26 A2B2C6D21E26 0.62 5.05 -8.33 -0.72 0