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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401207 135050565 1 O3H14C16 A3B14C16 -34.55 1.9 -9.07 -0.32 0
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401208 135050566 1 N2O5C24H30 A2B5C24D30 -123.55 5.97 -8.43 0.07 0
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401209 135050567 1 N2O5C25H32 A2B5C25D32 -128.9 6.22 -8.83 -0.16 0
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401210 135050568 1 AlO2C15H27 AB2C15D27 -85.55 2.52 -9.57 1.16 0
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401211 135050570 2 LiSiN2C11H27 ABC2D11E27 -120.79 3.43 -4.69 2.03 0
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401213 135050574 1 NO2C17H25 AB2C17D25 -85.43 3.95 -9.51 0.18 0
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401214 135050576 1 LiNSO2C20H22 ABCD2E20F22 -56.94 1.82 -7.85 0.0 0
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401215 135050579 1 N3O3C12H23 A3B3C12D23 -96.84 2.65 -8.55 0.05 0
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401216 135050582 1 OSC13H18 ABC13D18 -8.38 3.5 -8.72 -0.26 0
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401217 135050589 1 NSnC34H47 ABC34D47 75.4 2.08 -8.65 0.22 0
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401218 135050590 1 BrClNOSC31H39 ABCDEF31G39 -12.6 3.42 -8.45 -0.25 0
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401219 135050591 1 SnN2O2C23H48 AB2C2D23E48 -157.38 1.39 -8.82 0.82 0
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401220 135050592 1 NOLi2H13C15 ABC2D13E15 -15.41 7.69 -6.72 0.66 -1
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401221 135050601 1 AlO8C32H60 AB8C32D60 -432.28 1.14 0.0 0.0 -1
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401222 135050605 1 InC6H14 AB6C14 53.12 0.22 0.0 0.0 1
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401224 135050638 1 LiON2C9H17 ABC2D9E17 -41.01 6.27 -6.42 1.3 0
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401225 135050639 1 ON2C9H18 AB2C9D18 -23.5 2.1 -7.84 1.37 0
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401226 135050641 1 NO5C26H29 AB5C26D29 -189.42 5.94 -9.86 -0.42 0
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401227 135050645 1 NSO2C29H43 ABC2D29E43 -61.65 5.75 -9.32 -0.62 0
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401228 135050647 1 BeBrOC4H7 ABCD4E7 17.07 3.42 -7.98 -0.97 0
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401229 135050651 1 NSO3C11H21 ABC3D11E21 -130.21 5.79 -10.01 0.2 0
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401230 135050652 4 OC4H6 AB4C6 -195.89 5.62 -9.79 0.87 0
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401231 135050655 1 BC12H17 AB12C17 -11.73 0.5 -9.21 -0.18 0
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401232 135050657 1 NLi2C4H9 AB2C4D9 6.02 10.5 -5.49 3.53 0
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401233 135050658 1 BrLiOC11H22 ABCD11E22 -106.62 3.47 -8.73 -0.11 0
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401235 135050664 1 ON2C18H32 AB2C18D32 -55.11 0.68 -8.69 0.42 0
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401236 135050666 1 SiO2C12H20 AB2C12D20 -118.22 2.07 -8.61 0.22 0
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401237 135050672 1 ClOC16H17 ABC16D17 -38.32 3.47 -8.74 -0.19 0
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401238 135050677 1 N2O5C27H42 A2B5C27D42 -178.06 6.8 -8.84 -0.21 0
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401239 135050678 1 AlLiOC8H16 ABCD8E16 -82.79 5.77 -7.62 2.45 0
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401241 135050696 1 SeO4H32C33 AB4C32D33 -38.64 4.01 -8.57 -0.37 0
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401242 135050702 1 AlNS2C5H8 ABC2D5E8 4.58 2.34 -9.13 -0.57 0
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401243 135050703 2 NOC11H14 ABC11D14 -65.91 1.56 -8.11 -1.27 0
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401244 135050704 1 AlNaC24H44 ABC24D44 -122.23 8.32 -7.66 1.43 -1
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401245 135050705 1 AlC24H44 AB24C44 -89.67 0.27 0.0 0.0 0
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401247 135050707 1 BrCHMgO2 ABCDE2 -128.73 2.73 -10.08 -1.39 0
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401248 135050708 1 AlNO2C19H38 ABC2D19E38 -197.06 5.45 -8.53 0.49 0
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401249 135050709 1 NSO2H15C18 ABC2D15E18 25.26 4.64 -8.29 -0.72 0
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401250 135050711 1 NSiO3C15H31 ABC3D15E31 -200.3 2.8 -8.73 0.69 0
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401251 135050712 1 NSiO3C17H35 ABC3D17E35 -206.86 2.88 -8.51 0.92 0
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401252 135050714 1 AlOC16H37 ABC16D37 -157.83 1.78 -8.46 2.33 0
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401253 135050715 1 ClMgC10H17 ABC10D17 -57.69 3.58 -9.32 0.25 0
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401254 135050716 1 NSiO4C11H21 ABC4D11E21 -231.73 4.41 -9.14 0.52 0
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401255 135050717 1 SiN2O5C13H28 AB2C5D13E28 -254.4 4.99 -8.93 0.0 0
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401256 135050719 1 SO2C16H22 AB2C16D22 -57.08 3.48 -8.7 -0.12 0
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401257 135050720 1 AlC8H19 AB8C19 -28.85 0.16 -9.12 1.71 0
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401258 135050721 1 ClC14H23 AB14C23 -25.25 2.68 -9.85 0.39 0
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401259 135050722 1 TiO4C16H36 AB4C16D36 -270.35 4.71 -9.14 -2.9 0
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401260 135050724 1 In2I3C21H21 A2B3C21D21 66.82 2.55 -8.76 -3.13 0
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401261 135050725 1 AlOSiC15H33 ABCD15E33 -147.35 1.21 -8.7 1.23 0