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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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51455 12014125 1 NSO6C29H35 ABC6D29E35 -209.7 4.7 -9.31 -0.43 0
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51456 12014126 1 NSO6C30H37 ABC6D30E37 -216.69 6.76 -9.24 -0.47 0
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51457 12014127 1 NSO6C30H37 ABC6D30E37 -214.19 6.87 -9.45 -0.63 0
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51458 12014128 1 NSO5C24H33 ABC5D24E33 -211.72 5.92 -9.34 -0.45 0
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51459 12014129 1 NSO5C28H29 ABC5D28E29 -105.9 6.01 -9.46 -0.4 0
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51460 12014130 1 BrCl2C11H13 AB2C11D13 -28.04 3.57 -9.4 -0.42 0
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51461 12014131 1 OBr2C11H16 AB2C11D16 -57.31 4.76 -10.05 -0.4 0
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51462 12014132 1 OBr2C11H16 AB2C11D16 -56.06 4.79 -10.12 -0.42 0
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51463 12014133 1 BrO2C12H19 AB2C12D19 -95.29 4.12 -9.75 -0.08 0
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51464 12014134 1 BrO2C12H19 AB2C12D19 -96.53 3.19 -9.61 -0.07 0
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51465 12014135 1 BrO2C11H17 AB2C11D17 -101.62 3.8 -9.9 -0.27 0
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51466 12014136 1 Cl2F3N3H16C29 A2B3C3D16E29 -22.4 4.84 -8.74 -1.54 0
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51467 12014137 1 O2N4H32C37 A2B4C32D37 58.44 3.67 -8.44 -0.42 0
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51468 12014138 1 O2N3H25C26 A2B3C25D26 8.77 2.9 -8.14 -0.58 0
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51469 12014145 1 NOH9C11 ABC9D11 8.01 2.84 -9.24 -0.07 0
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51470 12014146 1 NOH9C11 ABC9D11 7.92 2.86 -8.87 -0.58 0
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51471 12014148 1 N2Cl3C20H21 A2B3C20D21 32.15 2.83 -8.88 -0.25 0
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51472 12014149 1 N3C7H13 A3B7C13 7.32 2.04 -9.1 1.18 0
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51473 12014150 1 N3C10H13 A3B10C13 39.57 2.19 -9.14 0.18 0
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51474 12014151 1 N3C17H33 A3B17C33 -43.45 2.37 -8.93 1.38 0
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51475 12014152 1 N3C25H25 A3B25C25 85.5 1.89 -8.77 -0.52 0
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51476 12014153 1 N7C39H49 A7B39C49 88.36 3.19 -8.88 -0.89 0
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51477 12014154 1 N5C20H27 A5B20C27 52.72 3.36 -8.63 -0.62 0
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51478 12014155 1 N3C11H21 A3B11C21 3.21 4.05 -8.86 1.0 0
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51479 12014156 1 N3C17H21 A3B17C21 54.6 2.57 -9.18 0.18 0
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51480 12014157 1 N2O3C21H28 A2B3C21D28 -32.65 6.62 -9.34 -0.28 0
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51481 12014158 1 NO5C21H21 AB5C21D21 -162.55 4.07 -9.62 -0.21 0
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51482 12014159 1 NO5C21H21 AB5C21D21 -164.7 4.28 -9.65 -0.15 0
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51483 12014160 1 N2O3C16H18 A2B3C16D18 -88.32 4.41 -9.84 -0.21 0
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51484 12014161 1 N2O3C16H18 A2B3C16D18 -89.37 3.84 -9.82 -0.22 0
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51485 12014162 1 N2O3C15H16 A2B3C15D16 -101.41 4.14 -9.84 -0.25 0
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51486 12014163 1 NSiO5C18H25 ABC5D18E25 -223.0 4.27 -8.84 -0.08 0
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51487 12014164 1 NSiO5C18H25 ABC5D18E25 -223.08 1.37 -8.84 0.1 0
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51488 12014165 1 N2O3H20C25 A2B3C20D25 -19.1 4.45 -9.24 -0.39 0
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51489 12014166 1 N2O3H20C25 A2B3C20D25 -19.67 4.04 -9.21 -0.4 0
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51490 12014167 1 N2O3C15H16 A2B3C15D16 -80.76 4.49 -9.81 -0.34 0
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51491 12014168 1 N2O3H16C19 A2B3C16D19 -42.8 4.68 -9.18 -0.43 0
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51492 12014169 1 N2O3C17H20 A2B3C17D20 -118.87 4.35 -9.83 -0.32 0
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51493 12014170 1 N2O3C17H20 A2B3C17D20 -96.94 4.14 -9.82 -0.18 0
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51494 12014171 1 BrF2N2O3C18H19 AB2C2D3E18F19 -177.99 4.29 -9.75 -1.57 0
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51495 12014172 1 N2O3C20H24 A2B3C20D24 -125.54 4.22 -9.76 -0.31 0
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51496 12014173 3 BrH11C20 AB11C20 302.12 0.5 -8.8 -1.1 0
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51497 12014175 3 BrH13C20 AB13C20 228.98 0.17 -8.76 -1.0 0
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51498 12014176 3 BrPO3C7H12 ABC3D7E12 -585.56 4.27 -9.28 -0.6 0
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51499 12014177 4 NO5C17H19 AB5C17D19 -598.24 12.19 -8.7 -1.15 0
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51500 12014178 1 SO6H16C21 AB6C16D21 -160.15 7.02 -8.65 -1.6 0
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51501 12014179 1 SO6H16C27 AB6C16D27 -110.81 11.27 -8.73 -1.68 0
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51502 12014180 1 SO6H12C19 AB6C12D19 -157.01 5.66 -8.64 -1.12 1
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51503 12014181 1 SO6H13C19 AB6C13D19 -162.58 5.46 0.0 0.0 0
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51504 12014182 1 O5H16C22 A5B16C22 -121.8 8.46 -8.84 -1.74 0
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51505 12014183 1 N4O4C35H36 A4B4C35D36 -92.71 2.85 -9.21 -2.28 0
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51506 12014184 1 N4O4H38C39 A4B4C38D39 -93.3 3.2 -9.06 -2.49 0
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51507 12014185 2 O2N3C24H24 A2B3C24D24 -38.68 1.59 -9.15 -2.31 0
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51508 12014187 2 NO4H12C15 AB4C12D15 -238.2 4.38 -10.1 -2.42 0
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51509 12014188 2 NO4H12C15 AB4C12D15 -242.39 4.63 -9.99 -2.28 0
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51510 12014189 2 NO2H12C17 AB2C12D17 -39.48 0.78 -8.95 -2.36 0
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51511 12014190 2 NO3H12C13 AB3C12D13 -194.12 1.73 -10.12 -2.24 0
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51512 12014191 2 NO3H12C13 AB3C12D13 -194.82 2.18 -10.1 -2.21 0
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51513 12014192 2 NO2H12C14 AB2C12D14 -93.18 1.01 -8.94 -2.32 0
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51514 12014193 2 NO4H13C17 AB4C13D17 -242.61 2.4 -10.12 -2.63 0
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51515 12014194 2 NO4H13C17 AB4C13D17 -243.52 1.12 -10.05 -2.52 0
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51516 12014195 2 NO2H13C19 AB2C13D19 -40.28 0.33 -8.86 -2.53 0
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51517 12014196 2 NO3H13C15 AB3C13D15 -193.51 2.17 -10.12 -2.39 0
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51518 12014197 2 NO3H13C15 AB3C13D15 -195.62 2.6 -10.01 -2.54 0
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51519 12014200 1 N2O2S2H20C23 A2B2C2D20E23 29.78 6.21 -8.44 -0.97 -2
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51520 12014201 1 ClSbN2O2S2H22C29 ABC2D2E2F22G29 148.65 5.82 -7.96 -1.73 -2
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51521 12014203 1 BrSbN2O2S2H22C29 ABC2D2E2F22G29 126.84 8.98 -8.07 -1.39 0
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51522 12014204 1 BrN2O2S2H19C23 AB2C2D2E19F23 31.18 2.36 -8.36 -1.0 -2
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51523 12014205 1 SbN2O2S2H25C30 AB2C2D2E25F30 156.42 9.56 -7.59 -1.54 0
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51524 12014206 2 NOSH11C12 ABCD11E12 17.14 4.52 -8.56 -0.48 0
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51525 12014207 1 ClC13H13 AB13C13 35.93 2.07 -9.41 0.13 0
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51526 12014209 1 SO3C20H20 AB3C20D20 -44.44 6.0 -9.19 -0.62 0
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51527 12014210 1 SO3C20H20 AB3C20D20 -56.87 5.64 -9.16 -0.6 0
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51528 12014211 1 O2C15H16 A2B15C16 -44.71 1.94 -9.36 0.19 0
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51529 12014212 1 OC13H14 AB13C14 0.13 1.98 -9.3 0.24 0
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51530 12014213 1 OC13H14 AB13C14 17.47 1.78 -9.28 0.3 0
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51531 12014214 1 H12C13 A12B13 80.69 0.62 -9.08 0.41 0
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51532 12014215 2 NSO4C16H18 ABC4D16E18 -298.84 5.44 -8.66 -0.85 0
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51533 12014216 2 SO2N3C14H14 AB2C3D14E14 -43.19 2.59 -8.75 -1.22 0
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51534 12014217 1 O5C49H68 A5B49C68 -219.58 5.91 -9.38 0.0 0
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51535 12014218 1 N6O9C69H80 A6B9C69D80 -262.8 10.21 -9.24 -0.79 0
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51536 12014219 2 O2C13H13 A2B13C13 -100.11 1.55 -8.35 -0.46 0
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51537 12014221 1 N6O8C45H54 A6B8C45D54 -298.05 3.34 -9.4 -0.89 0
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51538 12014222 1 O3C49H64 A3B49C64 -78.25 2.32 -9.26 0.12 0
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51539 12014223 1 ClNOH8C11 ABCD8E11 33.63 1.9 -9.1 -0.96 0
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51540 12014224 2 O3C16H17 A3B16C17 -205.74 1.66 -8.15 -0.31 0
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51541 12014225 2 O3H25C27 A3B25C27 -132.74 3.09 -8.46 -0.67 0
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51542 12014226 3 OC8H14 AB8C14 -213.41 4.56 -9.98 2.73 0
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51543 12014227 1 O27C113H216 A27B113C216 -1452.43 9.59 -8.15 -0.11 1
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51544 12014232 1 N3H20C25 A3B20C25 145.84 3.62 0.0 0.0 0
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51545 12014233 1 IN3C16H18 AB3C16D18 75.63 4.16 -8.34 -1.0 1
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51546 12014234 1 N3C16H18 A3B16C18 70.7 4.09 0.0 0.0 0
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51547 12014235 1 O2Si2C23H48 A2B2C23D48 -223.33 0.86 -8.41 1.12 0
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51548 12014237 1 OSiC11H24 ABC11D24 -120.58 1.98 -9.35 0.92 0
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51549 12014238 1 SiO2C13H28 AB2C13D28 -190.96 2.98 -9.15 1.07 0
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51550 12014239 1 SiO4C12H24 AB4C12D24 -267.38 4.39 -9.32 1.0 0
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51551 12014240 1 SiO4C11H22 AB4C11D22 -262.95 4.13 -9.41 0.93 0
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51552 12014242 1 NC10H17 AB10C17 7.5 4.11 -10.1 0.75 0
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51553 12014243 1 NC11H19 AB11C19 0.86 4.0 -10.17 0.74 0
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51554 12014245 1 O3C19H30 A3B19C30 -127.01 1.84 -9.21 0.36 0