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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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389247 134991824 1 KSiO2C10H23 ABC2D10E23 -150.35 11.31 -4.54 -0.14 0
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389248 134991826 1 NOC9H17 ABC9D17 -57.94 3.24 -8.82 2.29 0
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389249 134991832 1 O4C13H16 A4B13C16 -130.02 2.0 -9.44 -1.01 0
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389250 134991833 1 NO2C13H19 AB2C13D19 -92.28 4.77 -9.53 0.23 0
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389251 134991834 1 OC12H22 AB12C22 -75.3 2.51 -9.5 1.36 0
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389253 134991854 1 BPdN3F4C12H15 ABC3D4E12F15 -229.84 13.38 0.0 0.0 0
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389254 134991863 1 P2H32C39 A2B32C39 124.95 2.41 -8.29 0.12 -1
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389255 134991865 1 BRhP2F4C30H48 ABC2D4E30F48 -349.33 17.37 -9.45 -3.35 0
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389256 134991872 2 FeNOPC31H34 ABCDE31F34 578.3 23.45 -6.31 -4.32 0
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389257 134991874 1 AlLiO2H12C20 ABC2D12E20 -32.09 10.53 -7.23 -0.5 0
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389258 134991879 1 FeNO2C24H24 ABC2D24E24 74.99 2.89 0.0 0.0 0
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389259 134991880 1 NO2C19H19 AB2C19D19 -7.29 2.29 -8.75 0.04 0
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389260 134991888 1 N12O13C79H110 A12B13C79D110 -537.85 4.45 -9.09 -0.29 0
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389262 134991900 1 ZrCl2H20C27 AB2C20D27 278.24 3.4 -6.3 -1.16 0
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389263 134991908 1 NSC12H19 ABC12D19 8.63 2.6 -8.33 0.15 0
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389268 134991948 1 PRhSN3O9H17C19 ABCD3E9F17G19 28.62 5.56 -8.95 -4.26 1
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389269 134991949 1 HPK3O4 ABC3D4 -300.27 13.21 0.0 0.0 0
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389270 134991958 1 VCl2O2C3H8 AB2C2D3E8 -165.6 6.22 0.0 0.0 0
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389271 134991960 1 BrMgC10H19 ABC10D19 -82.88 3.36 -8.8 -0.02 0
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389272 134991967 1 FeNOC29H31 ABCD29E31 82.63 7.12 -7.27 -0.25 0
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389273 134991969 1 BCuNC2H3F4 ABCD2E3F4 -282.77 14.99 -11.72 -1.43 0
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389274 134991976 1 ON2H28C32 AB2C28D32 75.03 3.69 -8.12 -0.44 0
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389275 134991978 1 FSnO3Cl4H27C35 ABC3D4E27F35 -153.83 2.44 -8.56 -2.93 0
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389276 134991983 1 ClNSiO5C24H30 ABCD5E24F30 -171.24 2.08 -9.01 -1.5 0
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389279 134991987 1 ON3C15H17 AB3C15D17 39.4 2.7 -8.96 0.2 -1
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389281 134991995 1 LiNC12H12 ABC12D12 79.55 9.42 -6.56 0.28 -2
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389283 134992000 1 LiNOC7H16 ABCD7E16 -66.13 4.58 -7.09 2.86 0
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389284 134992003 1 PRuN2F6C9H11 ABC2D6E9F11 -306.02 22.17 -10.36 -4.52 0
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389285 134992007 4 C3H4 A3B4 16.09 0.56 -9.25 0.49 0
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389286 134992011 1 SiC10H18 AB10C18 -13.01 0.67 -9.3 1.5 0
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389287 134992018 1 O2C13H20 A2B13C20 -88.9 1.19 -9.63 0.53 0
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389288 134992019 1 NOC9H11 ABC9D11 -1.25 1.89 -9.99 -0.24 0
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389289 134992027 1 TiN3O7C33H45 AB3C7D33E45 -207.51 6.33 -6.53 -1.76 0
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389290 134992034 2 O2N3C28H30 A2B3C28D30 2.23 7.56 -8.63 -1.04 0
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389291 134992035 1 SnN2S2F6O6C18H20 AB2C2D6E6F18G20 -522.03 4.2 -8.0 -1.37 0
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389292 134992041 1 AlSF3O4C17H26 ABC3D4E17F26 -419.68 1.5 -8.39 -1.36 0
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389293 134992043 1 Fe2C9O9 A2B9C9 244.83 0.29 -7.69 0.94 0
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389295 134992060 1 PO8H31C32 AB8C31D32 -310.75 2.0 -8.58 -0.88 0
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389296 134992072 1 H2S3K4O13 A2B3C4D13 -785.68 5.45 -8.59 0.91 0
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389297 134992074 1 CuP2S2F6O6H40C50 AB2C2D6E6F40G50 -357.11 26.59 0.0 0.0 0
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389298 134992079 1 ClRuN3O3H42C52 ABC3D3E42F52 163.23 6.7 -8.24 -2.96 0
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389299 134992086 1 ZrB2N2C4H18 AB2C2D4E18 18.23 2.37 -6.88 -0.72 0
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389301 134992097 1 MgZnO6C16H27 ABC6D16E27 -511.24 8.86 0.0 0.0 -1
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389302 134992106 1 NSiTiCl2C19H21 ABCD2E19F21 62.46 17.43 -7.75 -1.42 0
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389303 134992112 1 O5C10H18 A5B10C18 -250.88 3.81 -10.18 1.12 0
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389304 134992116 1 CuK2H3C4N5 AB2C3D4E5 115.19 10.19 0.0 0.0 0
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389305 134992119 1 FO3H11C12 AB3C11D12 -146.79 3.63 -9.94 -0.92 0
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389306 134992125 1 MnN2O2C7H10 AB2C2D7E10 7.22 1.86 0.0 0.0 0
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389307 134992138 2 OC8H10 AB8C10 -71.51 2.65 -8.68 -0.08 0
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389308 134992139 2 OC7H12 AB7C12 -118.26 1.08 -8.66 1.72 0
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389309 134992145 1 OWCl3H3 ABC3D3 -68.64 4.82 -7.83 -1.04 -1
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389311 134992183 2 NC22H30 AB22C30 -19.06 2.2 -8.1 0.38 0
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389313 134992188 1 NOPC40H48 ABCD40E48 -12.37 4.21 -8.67 0.11 2
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389314 134992189 2 CuNO3H13C15 ABC3D13E15 3.41 20.3 -7.46 -1.69 0
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389315 134992208 1 LiNOC12H18 ABCD12E18 -32.96 5.42 -6.99 0.34 0
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389316 134992213 1 FeSF3O3N4H20C25 ABC3D3E4F20G25 -55.86 4.86 0.0 0.0 0
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389317 134992229 1 SiO3C12H20 AB3C12D20 -191.38 4.84 -9.28 0.81 0
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389318 134992233 2 OC6H10 AB6C10 -102.17 1.38 -9.39 1.45 0
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389319 134992242 1 FeNP2C39H39 ABC2D39E39 282.86 3.17 -7.71 -0.03 0
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389321 134992252 1 OPRuBr2H23C29 ABCD2E23F29 121.66 12.25 -8.43 -3.58 0
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389322 134992254 1 FeP2C31H39 AB2C31D39 190.98 2.81 0.0 0.0 0
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389324 134992266 1 AlC31H49 AB31C49 -60.6 0.34 -8.51 0.92 0
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389325 134992278 1 PN2C23H28 AB2C23D28 96.66 2.24 0.0 0.0 0
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389326 134992280 1 P2H36C43 A2B36C43 187.82 1.97 -8.43 -1.23 -1
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389328 134992291 1 ClNS2 ABC2 49.85 2.64 -9.16 -2.0 -2
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389329 134992295 2 BrNiC5H11 ABC5D11 291.84 4.53 -5.74 -3.8 0
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389330 134992296 1 NNaSCl2O4C6H6 ABCD2E4F6G6 -91.5 11.31 -8.09 -0.96 0
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389331 134992299 1 ZnN2C20H30 AB2C20D30 192.41 3.14 -8.28 -1.68 0
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389332 134992315 1 O2C13H22 A2B13C22 -114.84 2.59 -8.82 1.84 0
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389333 134992322 1 O3C11H16 A3B11C16 -140.09 3.57 -9.38 0.05 0
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389335 134992329 1 C19H29 A19B29 -14.64 0.77 0.0 0.0 0
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389336 134992350 1 BLiC2H5 ABC2D5 31.0 3.49 0.0 0.0 0
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389338 134992364 2 O2H16C23 A2B16C23 15.53 2.21 -8.42 -1.14 0
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389341 134992401 2 LiS AB 373.56 134.17 -4.19 -3.01 0
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389342 134992402 1 KOC11H21 ABC11D21 -95.35 9.2 -7.36 0.42 0
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389343 134992404 1 ZrC11H12 AB11C12 50.17 1.98 -6.66 -1.15 0
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389344 134992412 1 BiC3S3O7F9 AB3C3D7E9 -729.61 5.77 -9.45 -2.9 0
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389345 134992420 1 F2O2C9H10 A2B2C9D10 -162.5 4.44 -10.32 0.46 0
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389346 134992421 1 OSiN4C13H14 ABC4D13E14 40.32 5.87 -10.01 -0.43 0
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389347 134992428 2 OC5H7 AB5C7 -94.23 4.81 -10.08 0.8 0
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389348 134992430 1 C9H14 A9B14 8.88 0.29 -9.32 1.45 0
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389349 134992445 1 LiN3C34H38 AB3C34D38 160.36 11.48 -6.18 -0.11 0
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389350 134992450 1 ClNNaSO3C7H7 ABCDE3F7G7 -85.49 15.56 -7.9 -0.53 0
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389351 134992452 1 FeNOSiC22H37 ABCDE22F37 -109.34 1.8 -8.32 0.16 0
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389353 134992468 1 CuN2S2F6O10C19H34 AB2C2D6E10F19G34 -738.62 8.23 0.0 0.0 4
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389355 134992478 4 RhC3O3 AB3C3 -336.18 5.73 -8.66 -4.47 0
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389356 134992482 2 NSCl2O3C9H9 ABC2D3E9F9 -250.7 6.1 -9.24 -1.52 0
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389357 134992483 1 SN3O3C39H53 AB3C3D39E53 -88.55 9.14 -8.79 -0.51 0
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389358 134992493 1 FeP2C44H48 AB2C44D48 -10.64 6.7 -7.26 0.09 0
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389359 134992500 1 N3O4C18H25 A3B4C18D25 -160.11 6.32 -9.06 -0.35 0
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389360 134992503 1 BNOC3H7 ABCD3E7 33.0 5.11 0.0 0.0 0
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389361 134992523 1 OC13H26 AB13C26 -92.43 2.1 -8.99 1.69 -1
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389363 134992534 1 BCuN2C4F4H6 ABC2D4E4F6 -225.3 11.29 -9.61 0.35 0
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389364 134992538 1 NBr3C4H10 AB3C4D10 -51.74 2.23 -9.65 -2.59 0
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389365 134992550 1 RuN3O6F9C15H24 AB3C6D9E15F24 -612.65 15.63 -8.6 -4.32 0
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389366 134992563 2 NOSiC14H22 ABCD14E22 -195.5 2.48 -8.78 -0.52 0
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389369 134992568 1 O2C13H16 A2B13C16 -54.94 3.16 -9.47 0.12 0
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389370 134992579 1 BrPO4C12H18 ABC4D12E18 -230.88 4.69 -9.53 -0.48 0
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389371 134992580 1 IOC12H15 ABC12D15 -28.65 2.19 -9.3 -0.81 0
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389372 134992583 1 BrO2C12H17 AB2C12D17 -103.8 2.58 -9.3 -0.36 0