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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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341534 127264227 1 ClO2N3C7H10 AB2C3D7E10 -69.54 8.58 -9.97 -0.52 0
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341535 127264228 1 ClN2O2C12H25 AB2C2D12E25 -167.46 2.45 -9.32 1.04 0
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341536 127264229 1 ClNO2C7H14 ABC2D7E14 -135.4 4.7 -10.16 1.27 0
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341537 127264230 1 ClO2N3C8H12 AB2C3D8E12 -76.77 6.73 -10.18 -0.44 0
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341538 127264231 1 ClN2O2C12H25 AB2C2D12E25 -171.03 3.43 -9.3 1.08 0
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341539 127264232 1 ClNC8H16 ABC8D16 -41.78 5.87 -9.89 1.81 0
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341540 127264233 1 NO3C6H13 AB3C6D13 -138.85 7.77 -10.01 0.98 0
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341541 127264234 2 NO5C9H16 AB5C9D16 -485.64 13.9 -9.17 -0.5 0
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341542 127264235 1 NO2C7H13 AB2C7D13 -95.3 3.51 -9.28 1.81 0
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341543 127264236 1 ClOSN3C9H20 ABCD3E9F20 -97.94 4.01 -9.26 -0.49 0
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341544 127264237 1 ClON3C10H14 ABC3D10E14 -54.28 3.07 -8.01 -0.1 0
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341545 127264238 1 ClNSO3C11H16 ABCD3E11F16 -148.78 5.24 -9.7 -1.15 0
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341546 127264239 1 BN2O6C10H17 AB2C6D10E17 -325.82 10.59 -10.01 -0.76 0
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341547 127264240 1 ClFN3C7H7 ABC3D7E7 -28.29 3.91 -8.56 -0.7 0
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341548 127264241 1 ClN3C8H10 AB3C8D10 1.44 4.94 -8.41 -0.55 0
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341549 127264242 1 ClFN3C7H7 ABC3D7E7 -26.65 3.14 -8.5 -0.85 0
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341550 127264243 1 ClN4C7H9 AB4C7D9 15.91 2.95 -8.3 -0.62 0
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341551 127264244 1 O2N3C9H13 A2B3C9D13 -14.6 2.04 -9.78 0.36 0
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341552 127264245 1 ClNO2C11H14 ABC2D11E14 -114.32 6.1 -9.56 -0.04 0
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341553 127264246 1 NO4C15H19 AB4C15D19 -166.43 3.65 -9.62 -0.01 0
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341554 127264247 1 NO4C15H19 AB4C15D19 -166.44 3.66 -9.61 -0.01 0
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341555 127264248 1 BaP2C6H16O16 AB2C6D16E16 -1258.76 6.75 -10.75 -2.06 0
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341556 127264249 2 NC7H7 AB7C7 65.69 2.54 -7.3 -0.32 -2
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341558 127264251 2 ClNC2H4 ABC2D4 -24.47 4.45 -10.08 -0.37 1
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341559 127264252 1 IPPdC20H37 ABCD20E37 13.45 7.17 0.0 0.0 3
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341562 127264255 1 PdP3H54C60 AB3C54D60 320.92 13.78 0.0 0.0 2
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341564 127264257 1 PdP2O4C30H34 AB2C4D30E34 -20.22 17.89 -6.12 -1.33 2
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341566 127264259 1 ClHPd ABC 35.91 1.29 -7.55 0.71 0
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341567 127264260 1 PdC2N2O2H10 AB2C2D2E10 -29.92 4.61 -7.7 1.32 2
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341568 127264261 1 PdP2C26H26 AB2C26D26 117.18 3.96 -7.07 0.18 2
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341569 127264262 1 BrPdP2H33C37 ABC2D33E37 158.13 5.59 -6.4 0.01 -3
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341570 127264263 1 PdC4N5O7H12 AB4C5D7E12 -12.32 6.44 0.0 0.0 2
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341573 127264266 1 OPdF3H30C31 ABC3D30E31 -28.67 4.16 0.0 0.0 2
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341575 127264268 1 PtN2O7C12H21 AB2C7D12E21 -162.16 5.83 0.0 0.0 0
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341576 127264269 1 C6O7H10 A6B7C10 -298.11 2.12 -10.5 -0.59 -4
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341577 127264270 1 PtCl2O2N4C8H20 AB2C2D4E8F20 5.11 11.47 -7.62 -1.88 2
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341585 127264278 1 PtN2Cl3C9H11 AB2C3D9E11 207.4 7.16 -8.67 -1.53 2
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341588 127264281 1 PtN3O6C13H15 AB3C6D13E15 89.6 11.21 -10.06 -2.94 2
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341591 127264284 1 PtCl2N2O2C14H14 AB2C2D2E14F14 4036.05 7.41 -6.45 -1.35 -4
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341592 127264285 1 ClPtN4O5C19H20 ABC4D5E19F20 109.98 3.99 0.0 0.0 3
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341593 127264286 1 PtP3C63H66 AB3C63D66 245.42 16.05 0.0 0.0 -3
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341594 127264287 1 PtN4O4C5H9 AB4C4D5E9 -28.31 2.57 0.0 0.0 0
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341596 127264289 1 PtP3C66H66 AB3C66D66 236.79 2.5 0.0 0.0 -1
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341597 127264290 1 PtCl2O2N4C19H23 AB2C2D4E19F23 114.71 2.46 0.0 0.0 -2
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341599 127264292 1 NO2C9H9 AB2C9D9 -35.25 6.39 -8.93 -0.82 -2
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341602 127264295 1 PdP3C63H66 AB3C63D66 210.64 13.47 0.0 0.0 2
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341603 127264296 1 ClNRuC5O5H7 ABCD5E5F7 -101.51 4.92 0.0 0.0 4
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341606 127264299 1 AuOPC22H23 ABCD22E23 131.29 8.01 0.0 0.0 1
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341607 127264300 1 AuPC17H27 ABC17D27 105.2 13.72 0.0 0.0 1
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341608 127264301 1 AuOPC21H21 ABCD21E21 139.16 6.64 0.0 0.0 1
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341609 127264302 1 AuPN2H23C32 ABC2D23E32 355.46 8.32 0.0 0.0 1
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341610 127264303 1 AuNPO2H24C34 ABCD2E24F34 360.84 13.14 0.0 0.0 2
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341612 127264305 1 AuOPH23C26 ABCD23E26 194.18 5.48 0.0 0.0 1
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341613 127264306 1 AuPH25C27 ABC25D27 266.95 2.14 0.0 0.0 1
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341614 127264307 1 AuOPH23C25 ABCD23E25 187.8 8.11 0.0 0.0 1
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341615 127264308 1 AuPC11H15 ABC11D15 135.27 13.08 0.0 0.0 -2
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341616 127264309 1 AuNF5H10C11 ABC5D10E11 -16.71 5.06 0.0 0.0 1
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341617 127264310 1 AuPC26H39 ABC26D39 139.49 5.01 0.0 0.0 1
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341618 127264311 1 AuPCl5C12H16 ABC5D12E16 84.68 21.59 0.0 0.0 1
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341619 127264312 1 AuNPH20C25 ABCD20E25 256.32 6.52 0.0 0.0 1
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341620 127264313 1 AuPH23C28 ABC23D28 244.52 17.6 0.0 0.0 1
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341621 127264314 1 AuPF5C12H16 ABC5D12E16 -94.8 16.35 0.0 0.0 1
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341622 127264315 1 AuNPH26C28 ABCD26E28 224.78 24.79 0.0 0.0 1
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341623 127264316 1 AuPH27C29 ABC27D29 217.43 20.9 0.0 0.0 1
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341624 127264317 1 AuFPH26C29 ABCD26E29 261.81 5.04 0.0 0.0 1
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341625 127264318 1 AuPH23C26 ABC23D26 227.8 7.21 0.0 0.0 1
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341626 127264319 1 AuClPC12H14 ABCD12E14 56.23 15.3 0.0 0.0 1
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341627 127264320 1 AuPH23C25 ABC23D25 244.13 1.02 0.0 0.0 1
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341628 127264321 1 AuFPH20C24 ABCD20E24 186.58 9.49 0.0 0.0 1
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341630 127264323 1 AuPF3H20C25 ABC3D20E25 61.84 7.3 0.0 0.0 4
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341632 127264325 1 CuPC17H27 ABC17D27 156.76 12.28 0.0 0.0 3
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341640 127264333 1 PdO2P2H48C49 AB2C2D48E49 242.49 15.4 -6.45 -2.36 0
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341641 127264334 1 OP2H26C31 AB2C26D31 70.92 3.33 -8.22 0.07 2
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341644 127264337 1 P2H26C31 A2B26C31 105.27 2.66 -8.21 0.09 2
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341646 127264339 1 ClP2H23C30 AB2C23D30 104.6 3.23 -8.35 -0.14 2