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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5996 14248 2 NC3H3 AB3C3 64.37 0.05 -10.98 0.02 0
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5997 14249 1 BrNC15H34 ABC15D34 -62.54 14.03 -7.75 -0.02 0
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5998 14252 1 NaSO3C16H33 ABC3D16E33 -244.08 3.73 -9.86 0.58 0
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5999 14253 1 SO3C16H34 AB3C16D34 -205.14 3.96 -10.74 0.1 0
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6000 14254 1 OC10H22 AB10C22 -98.73 2.25 -10.4 2.95 0
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6001 14255 1 ClO2C9H17 AB2C9D17 -136.97 6.52 -10.76 0.7 0
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6002 14257 1 C11H24 A11B24 -56.69 0.02 -10.52 4.22 0
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6003 14258 1 O2C17H32 A2B17C32 -141.58 1.58 -9.52 0.8 0
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6004 14259 1 O2C21H42 A2B21C42 -183.1 1.75 -10.66 0.85 0
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6005 14262 1 C5H8 A5B8 15.09 0.76 -9.82 1.42 0
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6006 14266 1 OC6H8 AB6C8 -34.42 3.38 -10.0 -0.07 0
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6007 14270 1 OC7H10 AB7C10 -45.39 4.36 -9.68 0.09 0
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6008 14273 1 NOH5C6 ABC5D6 7.96 3.39 -10.29 -1.06 0
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6009 14274 1 NaOC7H7 ABC7D7 -51.2 9.23 -7.09 0.16 0
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6010 14283 1 NOC7H13 ABC7D13 -69.83 4.48 -10.21 1.25 0
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6011 14284 1 N2C7H10 A2B7C10 31.46 4.65 -8.68 0.16 0
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6012 14287 1 NC8H11 AB8C11 8.42 1.29 -9.47 0.18 0
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6013 14290 1 AsNOC6H6 ABCD6E6 95.09 2.15 -8.56 -1.03 0
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6014 14291 1 OC8H12 AB8C12 -52.49 5.21 -9.75 0.1 0
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6015 14295 1 OC9H12 AB9C12 -35.95 2.06 -9.54 0.21 0
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6016 14298 1 SnCl3H5C6 AB3C5D6 -54.57 4.44 -10.3 -2.1 0
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6017 14299 2 C5H9 A5B9 -23.28 1.07 -9.5 1.52 0
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6018 14300 1 N2O3H4C5 A2B3C4D5 20.23 1.78 -10.22 -1.94 0
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6019 14301 1 NOC8H15 ABC8D15 -77.05 4.08 -9.65 1.34 0
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6020 14302 1 NO2C7H13 AB2C7D13 -114.05 2.62 -10.53 0.97 0
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6021 14303 1 OS2N3C4H7 AB2C3D4E7 -11.87 2.18 -8.89 -1.4 0
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6022 14305 1 OC10H12 AB10C12 -41.01 1.51 -8.66 0.32 0
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6023 14306 1 NH9C10 AB9C10 39.59 1.77 -9.04 -0.66 0
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6024 14307 1 ClO2H7C8 AB2C7D8 -70.62 1.66 -10.01 -0.98 0
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6025 14308 1 S2O4C5H6 A2B4C5D6 -168.48 2.14 -9.67 -2.28 0
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6026 14309 1 HgO3C7H7 AB3C7D7 -79.39 3.82 0.0 0.0 0
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6027 14310 1 NC10H15 AB10C15 6.06 2.24 -8.21 0.54 0
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6028 14311 1 OC10H14 AB10C14 -33.27 1.64 -8.76 0.34 0
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6029 14314 1 SN4C7H8 AB4C7D8 71.76 4.92 -8.66 -0.88 0
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6030 14317 1 NH2Cl5C6 AB2C5D6 3.04 2.82 -10.28 -1.62 0
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6031 14318 1 NO2H7C9 AB2C7D9 -43.42 6.47 -9.46 -1.31 0
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6032 14320 1 Cl2N3C8H11 A2B3C8D11 -5.59 1.02 -9.42 -0.01 0
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6033 14321 1 ClN3C8H10 AB3C8D10 30.17 1.89 -9.28 0.09 0
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6034 14324 1 NO2C10H15 AB2C10D15 -120.62 4.83 -10.69 -0.02 0
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6035 14325 1 ClNOC11H18 ABCD11E18 -42.49 13.35 -8.55 -0.41 0
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6036 14326 1 NOC11H18 ABC11D18 -1.84 3.37 0.0 0.0 1
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6037 14327 1 OC12H16 AB12C16 -44.6 1.65 -8.74 0.26 0
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6038 14328 1 O3C10H12 A3B10C12 -94.4 4.57 -8.65 -0.5 0
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6039 14329 1 BrN3C10H14 AB3C10D14 33.82 10.13 -8.86 -0.63 0
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6040 14330 1 ON2H8C10 AB2C8D10 57.46 2.44 -9.29 -0.94 0
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6041 14332 1 O4C9H10 A4B9C10 -141.36 5.65 -9.33 -0.78 0
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6042 14333 1 SeH10C12 AB10C12 50.71 1.57 -8.62 -0.23 0
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6043 14335 1 ON3C10H13 AB3C10D13 32.12 4.78 -9.38 -0.36 0
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6044 14337 1 NOSC11H21 ABCD11E21 -79.95 2.4 -9.0 0.2 0
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6045 14338 2 NC6H6 AB6C6 46.67 1.37 -9.41 -0.57 0
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6046 14340 2 O2C5H6 A2B5C6 -156.38 2.29 -8.9 -0.28 0
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6047 14345 1 O4C11H14 A4B11C14 -130.53 2.95 -8.65 -0.52 0
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6048 14347 1 O2H10C13 A2B10C13 -27.8 2.54 -9.49 -0.68 0
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6049 14348 1 NC14H15 AB14C15 47.11 2.38 -8.08 0.09 0
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6050 14349 1 NO4C10H11 AB4C10D11 -148.67 4.91 -9.95 -0.5 0
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6051 14351 1 OH12C15 AB12C15 1.61 3.0 -9.24 -0.36 0
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6052 14357 4 OH2C3 AB2C3 -123.28 3.67 -10.01 -1.73 0
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6054 14364 1 O3H12C14 A3B12C14 -78.35 3.19 -9.58 -1.11 0
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6055 14365 1 N3H4C7Cl7 A3B4C7D7 9.6 0.43 -11.09 -2.21 0
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6056 14366 1 NO4C12H15 AB4C12D15 -156.51 3.41 -9.68 -0.16 0
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6057 14371 1 NO2H13C15 AB2C13D15 -48.82 2.56 -8.18 -0.27 0
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6059 14373 1 NOC16H23 ABC16D23 -38.62 3.22 -8.56 -0.35 0
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6060 14374 1 O2N3C13H17 A2B3C13D17 21.0 8.34 -8.88 -0.88 0
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6061 14377 1 BrClNC16H19 ABCD16E19 80.37 25.47 -6.48 -1.85 0
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6062 14378 1 BrNC16H18 ABC16D18 46.03 2.11 -9.09 -0.08 0
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6063 14381 1 CaN4O4I6C24H24 AB4C4D6E24F24 -3.11 16.66 -7.97 -1.96 0
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6064 14387 1 OSN3C15H21 ABC3D15E21 18.23 2.88 -8.4 -0.06 0
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6065 14391 1 BrFH14C20 ABC14D20 39.62 2.23 -9.51 -0.64 0
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6066 14394 1 NSCl2C19H23 ABC2D19E23 -12.74 4.92 -8.68 -0.49 0
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6067 14395 1 ClNSC19H22 ABCD19E22 28.09 2.69 -8.47 -0.28 0
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6068 14400 1 ClO2N4C16H19 AB2C4D16E19 27.45 22.27 -6.98 -2.09 0
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6069 14402 1 PbH16C18 AB16C18 99.43 0.42 -9.25 0.12 0
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6070 14403 1 O6H12C17 A6B12C17 -180.67 8.43 -9.59 -1.29 0
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6071 14411 1 OSN3C18H21 ABC3D18E21 19.0 0.48 -8.56 -0.66 0
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6072 14412 1 Cl2N3C19H21 A2B3C19D21 17.33 2.68 -9.1 -0.49 0
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6073 14413 1 ClN3O3C18H26 AB3C3D18E26 -155.37 0.58 -8.97 -0.88 0
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6074 14414 1 N3O3C18H25 A3B3C18D25 -121.32 2.65 -8.78 -0.62 0
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6075 14415 1 ClNO3C20H26 ABC3D20E26 -106.0 9.56 -8.69 0.13 0
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6076 14420 1 NO4C19H23 AB4C19D23 -162.23 2.32 -8.82 -0.46 0
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6077 14421 1 O7H12C17 A7B12C17 -221.89 9.86 -9.74 -1.46 0
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6078 14422 6 H3C4 A3B4 94.58 0.01 -8.87 -0.44 0
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6079 14426 1 ClNO3C21H28 ABC3D21E28 -112.48 9.97 -8.66 0.28 0
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6080 14427 1 NOF3C20H28 ABC3D20E28 -215.22 4.46 -8.72 -0.49 0
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6081 14429 1 NSC23H23 ABC23D23 74.42 1.17 -8.52 -0.68 0
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6082 14430 1 OF3N3C18H18 AB3C3D18E18 -141.43 3.57 -8.91 -0.91 0
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6083 14431 1 O3C23H32 A3B23C32 -158.96 1.53 -8.54 0.36 0
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6084 14432 2 NO3C9H10 AB3C9D10 -206.69 8.35 -9.46 -0.54 0
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6085 14434 1 FOCl3N3C21H25 ABC3D3E21F25 -113.92 5.74 -9.44 -1.06 0
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6086 14436 1 O5C23H34 A5B23C34 -253.56 7.17 -10.32 -0.48 0
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6087 14438 1 ClNSO4C23H26 ABCD4E23F26 -152.79 5.17 -8.83 -0.54 0
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6088 14439 1 ClNSC19H20 ABCD19E20 48.04 1.82 -8.66 -0.51 0
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6089 14440 1 NO8C23H29 AB8C23D29 -249.18 192.25 -7.51 -3.76 0
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6090 66954 1 N2O2C37H74 A2B2C37D74 -253.49 5.44 -10.06 0.75 0
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6091 66955 2 OC6H12 AB6C12 -145.27 1.77 -10.78 0.87 0
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6092 66957 1 O2C19H38 A2B19C38 -176.68 1.48 -10.7 0.89 0
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6093 66958 3 OC6H12 AB6C12 -203.09 3.27 -9.91 0.71 0
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6094 66960 1 ClNC5H12 ABC5D12 -22.49 3.61 -8.94 1.1 0
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6095 66961 1 ClIH2C3 ABC2D3 59.69 1.72 -10.05 -1.09 0
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6096 66962 1 N2C3H6 A2B3C6 31.38 3.19 -9.03 0.85 0
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6097 66963 1 NSO4C24H53 ABC4D24E53 -206.88 57.98 -7.36 -2.5 0