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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383372 134975060 1 ON2C17H26 AB2C17D26 -30.12 2.38 -8.08 0.14 0
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383373 134975061 1 OSC8H11 ABC8D11 5.78 2.53 0.0 0.0 0
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383374 134975062 17 CH2 AB2 -68.41 0.56 -9.09 1.55 0
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383375 134975065 1 S2N3O6C27H33 A2B3C6D27E33 -227.16 3.06 -8.65 -0.41 0
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383376 134975067 1 NO3H23C29 AB3C23D29 -16.21 3.67 -8.96 -0.35 0
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383377 134975068 1 NO3H23C25 AB3C23D25 -53.02 3.08 -8.93 -0.31 0
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383378 134975069 1 NO3C20H21 AB3C20D21 -86.81 2.78 -8.87 -0.21 1
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383379 134975070 1 NO2C19H22 AB2C19D22 -40.0 2.68 0.0 0.0 0
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383380 134975072 2 SH7C10 AB7C10 104.82 0.43 -8.66 -0.64 0
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383381 134975073 1 O2C9H14 A2B9C14 -76.93 7.03 -10.0 -0.34 0
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383382 134975074 2 PO3C7H11 AB3C7D11 -299.77 1.81 -9.13 -0.46 0
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383383 134975075 4 OC6H9 AB6C9 -184.08 3.78 -9.36 0.33 0
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383384 134975076 1 C9H14 A9B14 39.03 1.01 -9.72 1.42 0
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383385 134975077 1 Si2O5C28H56 A2B5C28D56 -385.3 1.94 -8.7 0.83 0
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383386 134975078 1 O3C19H26 A3B19C26 -118.29 3.9 -9.3 -0.91 0
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383387 134975082 1 ClNOSiS2C14H22 ABCDE2F14G22 -57.01 6.58 -8.62 -0.57 0
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383388 134975083 1 O3C13H18 A3B13C18 -81.22 4.63 -9.63 0.2 0
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383389 134975084 1 N2O2Cl3H7C8 A2B2C3D7E8 -0.51 4.41 -9.8 -1.07 0
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383390 134975085 1 N2O2Cl3H7C8 A2B2C3D7E8 -0.17 3.93 -9.08 -1.22 0
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383391 134975086 1 PH6C12F13 AB6C12D13 -623.36 3.64 -9.46 -0.72 0
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383392 134975089 1 NOPC17H18 ABCD17E18 -32.35 2.83 -9.48 0.02 0
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383393 134975090 1 PN3O6C18H28 AB3C6D18E28 -300.35 5.47 -9.45 -0.8 0
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383394 134975091 1 SN3C5H11 AB3C5D11 47.11 3.65 -8.72 -0.03 0
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383395 134975092 1 NF6C21H21 AB6C21D21 -295.52 4.03 -9.18 -1.16 0
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383396 134975093 1 NOC20H25 ABC20D25 -13.55 2.28 -8.8 0.37 0
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383397 134975096 1 N2O3C17H32 A2B3C17D32 -182.61 4.39 -8.48 1.42 0
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383398 134975097 1 O4C25H32 A4B25C32 -149.84 1.37 -9.46 0.22 0
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383399 134975098 1 N2C11H20 A2B11C20 -2.02 1.59 -8.17 2.87 0
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383400 134975099 1 S2O11C15H22 A2B11C15D22 -496.31 5.79 -9.99 -0.77 0
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383401 134975100 1 S2O9C16H24 A2B9C16D24 -416.47 4.03 -8.94 -1.08 0
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383403 134975102 2 OC7H12 AB7C12 -116.07 1.64 -9.34 0.84 0
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383404 134975106 1 NSO8C20H29 ABC8D20E29 -349.46 6.16 -9.86 -0.48 0
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383405 134975107 1 NSO8C20H29 ABC8D20E29 -350.74 7.01 -9.81 -0.44 0
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383406 134975112 1 OSiC12H20 ABC12D20 -69.86 1.71 -8.75 0.46 0
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383407 134975113 1 NO3C17H25 AB3C17D25 -119.95 4.99 -8.81 0.3 0
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383408 134975114 1 ON2C15H24 AB2C15D24 23.9 2.99 -8.44 0.82 0
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383409 134975115 1 N2O2C19H28 A2B2C19D28 -93.6 3.1 -8.45 0.61 0
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383410 134975116 1 ClNS2O3C21H32 ABC2D3E21F32 -141.56 2.51 -9.11 -0.74 0
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383411 134975117 2 SO3C9H13 AB3C9D13 -222.62 5.0 -8.54 -0.72 0
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383412 134975118 1 N3O3C23H23 A3B3C23D23 -78.37 1.76 -8.34 -0.74 0
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383413 134975119 1 N2H22C25 A2B22C25 85.72 3.74 -8.0 -0.1 0
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383414 134975120 1 ON2C15H24 AB2C15D24 -5.42 4.94 -8.64 1.22 0
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383415 134975121 1 S3O10C15H22 A3B10C15D22 -447.97 5.33 -8.86 -0.84 0
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383416 134975122 1 S2O7C12H16 A2B7C12D16 -307.93 5.91 -9.05 -1.43 0
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383417 134975123 1 O3N10C20H30 A3B10C20D30 55.5 13.0 -9.21 -0.65 0
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383418 134975125 1 OC8H12 AB8C12 -35.66 2.16 -9.85 2.56 0
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383419 134975127 1 ON5C17H19 AB5C17D19 43.61 5.77 -8.62 -0.59 0
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383420 134975128 1 NSO3H19C22 ABC3D19E22 -44.66 7.18 -8.88 -0.86 0
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383421 134975130 2 ON2C16H23 AB2C16D23 -82.73 4.41 -8.24 0.27 0
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383422 134975134 1 N2H18C19 A2B18C19 78.77 0.95 -8.29 0.07 0
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383423 134975135 1 N3O7C37H45 A3B7C37D45 -285.22 5.02 -9.01 -0.56 0
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383425 134975144 1 NO6C13H23 AB6C13D23 -285.67 3.13 -9.74 0.82 0
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383427 134975148 1 N2S2O7C21H28 A2B2C7D21E28 -282.7 3.58 -8.86 -0.71 0
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383428 134975149 1 NPO4C16H24 ABC4D16E24 -202.31 1.66 -9.61 -0.53 0
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383429 134975150 1 N2O4S4C21H28 A2B4C4D21E28 -113.9 9.28 -9.18 -0.88 0
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383430 134975151 1 N2O4C35H50 A2B4C35D50 -178.46 3.66 -8.35 0.33 0
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383431 134975152 2 OC6H9 AB6C9 -86.43 3.18 -9.64 0.58 1
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383432 134975153 1 N2O2S2C20H31 A2B2C2D20E31 -79.69 5.5 0.0 0.0 -2
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383433 134975160 1 BrNiN5C14H19 ABC5D14E19 145.73 1.18 0.0 0.0 0
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383434 134975161 1 NSiO2C17H31 ABC2D17E31 -136.42 4.9 -8.68 0.36 0
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383435 134975162 2 O2S4C9H12 A2B4C9D12 -45.34 4.01 -8.91 -1.63 0
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383436 134975163 1 NF3O11C19H26 AB3C11D19E26 -647.75 8.09 -10.19 0.06 0
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383437 134975165 1 O11C33H42 A11B33C42 -413.67 6.23 -9.44 0.15 1
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383438 134975167 1 NSO4C12H20 ABC4D12E20 -182.53 4.8 0.0 0.0 0
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383439 134975168 1 NC25H27 AB25C27 81.37 2.67 -8.26 0.13 0
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383440 134975170 1 O7C13H22 A7B13C22 -333.93 4.32 -10.16 0.3 0
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383443 134975173 1 O5C20H32 A5B20C32 -250.98 4.74 -9.53 0.61 0
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383444 134975175 1 RuO4C11H22 AB4C11D22 -58.34 8.64 -7.47 -3.03 0
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383445 134975176 2 O2C8H15 A2B8C15 -236.81 1.09 -9.51 1.65 0
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383446 134975177 1 RuO5C16H30 AB5C16D30 -86.18 2.41 -8.83 -3.55 0
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383447 134975178 1 O3C16H30 A3B16C30 -184.19 5.45 -9.47 1.2 0
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383449 134975181 2 N2C4H7 A2B4C7 82.23 4.88 -9.34 -0.15 0
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383450 134975182 3 O2C7H8 A2B7C8 -220.75 2.7 -9.4 -0.46 0
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383451 134975184 1 O4H30C33 A4B30C33 -47.01 5.42 -9.36 -0.74 0
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383452 134975185 1 BrNSH10C15 ABCD10E15 88.23 2.18 -9.21 -1.27 0
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383453 134975188 1 O5C10H18 A5B10C18 -233.67 2.48 -10.03 0.51 0
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383454 134975189 2 O3C8H15 A3B8C15 -304.92 3.11 -9.74 1.34 2
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383455 134975190 2 BPO4C18H34 ABC4D18E34 -161.65 20.24 -5.04 -1.33 2
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383456 134975192 1 B2P2O4C43H58 A2B2C4D43E58 38.39 3.48 -6.85 -0.19 0
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383457 134975195 1 SO5C8H16 AB5C8D16 -237.44 3.48 -9.28 0.0 0
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383458 134975196 1 SO5C36H40 AB5C36D40 -119.29 1.74 -8.66 -0.07 0
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383459 134975197 1 NSSiO8C26H37 ABCD8E26F37 -387.38 5.37 -8.69 -1.42 0
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383460 134975198 1 SiN2O2C25H30 AB2C2D25E30 -52.89 5.42 -9.21 -0.62 0
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383461 134975199 1 SSiN2O4C26H32 ABC2D4E26F32 -135.46 2.36 -9.16 -0.7 0
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383462 134975200 1 BrNO2C17H20 ABC2D17E20 -41.89 4.26 -8.95 -0.28 0
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383463 134975202 1 BrNO2H18C19 ABC2D18E19 0.17 4.02 -8.93 -0.48 0
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383464 134975203 1 NO4C17H21 AB4C17D21 -129.6 3.01 -8.68 0.1 0
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383465 134975204 1 Si2O4C25H46 A2B4C25D46 -305.65 3.21 -9.02 0.09 0
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383466 134975206 1 NSiO3C13H23 ABC3D13E23 -94.42 7.73 -9.17 -0.23 0
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383467 134975207 1 O3C10H16 A3B10C16 -156.07 4.26 -10.02 0.73 0
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383468 134975208 1 O3N5C12H15 A3B5C12D15 -42.44 4.22 -9.58 -0.82 0
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383469 134975210 1 NO2C12H21 AB2C12D21 -116.6 2.9 -8.91 0.61 0
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383470 134975212 1 O7C33H58 A7B33C58 -400.21 10.65 -9.54 -0.56 0
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383471 134975213 1 O7C34H58 A7B34C58 -389.9 1.91 -9.6 -0.5 0
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383472 134975214 1 SO2N3C16H17 AB2C3D16E17 -36.35 4.69 -8.4 -1.05 0
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383473 134975215 1 O4C15H28 A4B15C28 -224.84 6.53 -9.65 1.65 0
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383474 134975216 1 NNaSO5C12H16 ABCD5E12F16 -222.37 8.36 -9.7 -0.17 0
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383475 134975217 1 NSO5C12H17 ABC5D12E17 -169.61 5.42 -9.79 -0.22 0
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383476 134975218 1 SN2O4C13H20 AB2C4D13E20 -118.09 6.35 -9.27 0.13 0
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383477 134975219 1 N2O2H10C21 A2B2C10D21 96.34 4.84 -9.97 -2.14 0