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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412390 135085281 1 MnN2O2H46C60 AB2C2D46E60 250.2 1.46 0.0 0.0 3
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412391 135085282 1 MnN2O2C36H54 AB2C2D36E54 -53.28 3.42 0.0 0.0 0
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412392 135085283 1 AuNPS2Si3F6O13C143H207 ABCD2E3F6G13H143I207 -857.57 32.3 -8.55 -1.08 0
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412393 135085284 2 ClRuSC37H38 ABCD37E38 221.29 5.22 -7.34 -2.28 1
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412394 135085285 1 ClPRuSO3C17H22 ABCDE3F17G22 117.28 17.33 -7.79 -4.95 0
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412397 135085288 1 LaC24H27 AB24C27 130.17 4.0 -5.73 0.26 -2
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412399 135085290 1 SN3O5C30H35 AB3C5D30E35 -103.47 5.79 -8.57 -0.64 0
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412400 135085291 1 SN3O4C35H45 AB3C4D35E45 -96.23 1.98 -8.56 -0.66 0
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412401 135085292 1 BrNSO3C10H12 ABCD3E10F12 -95.85 4.81 -10.05 -0.84 0
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412403 135085294 1 PdN2O3C21H29 AB2C3D21E29 -13.63 13.91 0.0 0.0 0
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412404 135085295 1 PdN2O3C21H30 AB2C3D21E30 2.39 4.43 -6.85 0.08 4
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412406 135085297 2 CoC3O3 AB3C3 -239.13 30.38 -10.74 -6.56 0
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412407 135085298 1 LaN2Si4C9H27 AB2C4D9E27 -63.17 12.47 -6.2 -0.59 3
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412410 135085301 1 BO2C18H21 AB2C18D21 -117.75 4.02 -9.12 0.39 0
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412411 135085302 1 NSO4H13C15 ABC4D13E15 -77.39 4.93 -9.08 -0.91 0
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412412 135085303 1 TiN4C16H28 AB4C16D28 105.9 12.8 -8.47 -3.8 0
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412413 135085304 1 ClNLi2C11H16 ABC2D11E16 -104.04 4.82 -8.51 0.11 0
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412414 135085305 1 O3F4C7H8 A3B4C7D8 -315.17 4.59 -10.78 -0.35 1
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412415 135085306 1 BrNC8H9 ABC8D9 26.53 3.88 0.0 0.0 0
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412416 135085307 1 O4C13H16 A4B13C16 -148.29 3.68 -9.68 -0.47 0
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412417 135085308 1 SO2C12H14 AB2C12D14 -32.26 6.67 -10.07 -0.4 1
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412418 135085309 1 PO4C10H12 AB4C10D12 -154.25 0.81 0.0 0.0 0
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412419 135085310 1 SO2C12H14 AB2C12D14 -56.09 7.44 -9.97 -0.4 0
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412420 135085311 1 O2C15H20 A2B15C20 -43.43 3.11 -9.55 0.35 0
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412421 135085312 1 O2S2H8C11 A2B2C8D11 -9.96 1.0 -9.51 -0.93 0
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412422 135085313 1 OSH10C11 ABC10D11 55.36 4.09 -9.49 -1.15 0
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412423 135085314 1 ClN2H9C12 AB2C9D12 45.92 2.04 -8.72 -0.74 0
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412424 135085315 1 LiN3H10C12 AB3C10D12 61.67 11.84 -7.64 -0.43 0
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412425 135085316 1 N3H11C12 A3B11C12 76.99 5.86 -8.59 -0.4 0
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412426 135085317 1 F3O3C21H25 A3B3C21D25 -280.74 5.3 -9.24 -0.86 0
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412427 135085318 2 OSC6H7 ABC6D7 -28.25 1.05 -8.43 -0.48 0
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412428 135085319 1 OCl3C10H17 AB3C10D17 -96.74 3.18 -10.61 -0.84 0
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412429 135085322 1 O4F24H26C41 A4B24C26D41 -1391.67 1.42 -11.08 -1.65 0
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412430 135085323 1 ClRuN3O3H46C60 ABC3D3E46F60 211.74 6.93 -7.43 -1.7 0
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412431 135085326 1 FeN2O2H50C60 AB2C2D50E60 108.02 2.17 -7.22 -0.62 -1
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412432 135085327 1 PN4O4F6C31H42 AB4C4D6E31F42 -590.48 9.49 0.0 0.0 0
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412433 135085328 1 N4O4C31H42 A4B4C31D42 -130.27 3.75 -8.24 0.13 0
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412434 135085329 1 BON3F4C21H22 ABC3D4E21F22 -316.28 12.03 -9.7 -1.26 0
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412435 135085330 1 ClON3C21H22 ABC3D21E22 42.65 8.83 -7.27 -0.66 0
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412436 135085331 1 ClN2O5C23H25 AB2C5D23E25 -9.78 14.4 -9.75 -2.3 1
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412437 135085332 1 ON2C23H25 AB2C23D25 17.95 1.55 0.0 0.0 0
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412439 135085334 1 ON3F6H20C26 AB3C6D20E26 -232.81 8.09 0.0 0.0 0
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412440 135085335 1 BOSiN3F4C30H36 ABCD3E4F30G36 -321.35 21.51 -9.13 -1.73 1
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412441 135085336 1 OSiN3C30H36 ABC3D30E36 26.33 4.86 0.0 0.0 0
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412442 135085337 1 BOSiN3F4C33H42 ABCD3E4F33G42 -343.72 24.62 -9.64 -1.95 1
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412443 135085338 1 OSiN3C33H42 ABC3D33E42 12.65 4.1 0.0 0.0 0
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412444 135085339 1 ClON3C21H22 ABC3D21E22 55.38 25.24 -7.14 -1.96 0
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412445 135085340 1 BON3F4C22H24 ABC3D4E22F24 -314.81 14.37 -9.93 -1.25 0
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412446 135085341 1 BN2F4C14H19 AB2C4D14E19 -319.47 31.94 -9.88 -2.02 1
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412447 135085342 1 N2C14H19 A2B14C19 31.04 2.23 0.0 0.0 0
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412448 135085343 1 BON3F10C32H32 ABC3D10E32F32 -590.74 23.69 -9.46 -2.81 1
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412449 135085344 1 ON3F6C32H32 AB3C6D32E32 -253.15 8.65 0.0 0.0 0
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412450 135085345 1 BON3F4H16C18 ABC3D4E16F18 -285.54 11.13 -9.48 -1.49 0
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412451 135085346 1 BON3F4C15H20 ABC3D4E15F20 -325.46 13.91 -9.98 -1.38 1
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412452 135085347 1 ON3C15H20 AB3C15D20 30.28 5.94 0.0 0.0 0
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412453 135085348 1 BON3F9H11C18 ABC3D9E11F18 -496.55 14.25 -10.14 -2.0 0
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412454 135085349 1 BON3F6H14C18 ABC3D6E14F18 -374.67 11.79 -10.0 -1.61 1
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412455 135085350 1 OF2N3H14C18 AB2C3D14E18 -16.84 4.01 0.0 0.0 0
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412456 135085351 1 AuClN2C5H8 ABC2D5E8 56.94 12.8 -9.57 -0.89 0
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412457 135085352 1 FePSi2C29H56 ABC2D29E56 46.41 1.41 0.0 0.0 0
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412458 135085353 1 PSi2C24H41 AB2C24D41 -68.8 7.07 -8.19 0.61 0
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412460 135085355 1 IrPSF3O4H15C20 ABCD3E4F15G20 -156.77 22.87 -9.3 -5.18 1
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412461 135085356 1 BRhN2F4C12H18 ABC2D4E12F18 -273.77 15.69 -8.89 -3.81 -2
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412464 135085359 1 ClON2H33C34 ABC2D33E34 82.59 21.61 -7.27 -2.17 0
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412466 135085361 1 AuClNPO2H46C68 ABCDE2F46G68 201.84 10.48 -8.5 -1.68 0
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412467 135085362 1 NPO2H46C68 ABC2D46E68 136.64 0.98 -8.21 -1.13 0
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412468 135085363 1 PdN2O4C31H46 AB2C4D31E46 -148.72 5.82 -8.09 0.24 2
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412469 135085364 1 ClPdP2O4C21H37 ABC2D4E21F37 -149.15 16.08 -5.59 -0.07 0
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412472 135085367 1 O2Si2N3C49H59 A2B2C3D49E59 -58.67 3.96 -8.87 -0.88 0
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412486 135085381 1 BrFNSO3C10H11 ABCDE3F10G11 -154.17 7.32 -10.28 -1.21 0
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412487 135085382 1 N3O3F6H27C29 A3B3C6D27E29 -365.72 5.14 -9.08 -1.25 0
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412488 135085383 1 SN3O5C30H35 AB3C5D30E35 -99.26 6.11 -8.31 -0.71 0
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412489 135085384 1 CoN2O2C36H54 AB2C2D36E54 -134.64 53.02 0.0 0.0 0
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412490 135085385 1 AuClN2C13H20 ABC2D13E20 16.66 13.37 -9.03 -0.64 0
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412491 135085386 1 N2C13H20 A2B13C20 22.78 3.31 -8.08 0.58 0
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412492 135085387 1 NSF3O5C6H10 ABC3D5E6F10 -381.94 9.16 -11.42 -0.61 0
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412493 135085388 1 NOB2C17H19 ABC2D17E19 47.85 5.12 -7.28 -0.04 -1
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412494 135085389 1 NOB2C17H18 ABC2D17E18 36.15 3.83 0.0 0.0 0
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412496 135085391 1 P2N3C17O18H27 A2B3C17D18E27 -844.6 10.51 -10.31 -1.62 0
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412497 135085392 2 NPO7C8H13 ABC7D8E13 -759.7 7.44 -9.33 -0.34 0
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412498 135085393 1 OC14H16 AB14C16 22.32 1.18 -9.23 -0.19 1
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412499 135085394 1 NF3C9H9 AB3C9D9 -138.94 5.72 0.0 0.0 0
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412500 135085395 1 ISN2O2H9C11 ABC2D2E9F11 1.21 6.07 -8.82 -1.23 0
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412501 135085396 1 NaS2F3O3H4C7 AB2C3D3E4F7 -322.75 7.38 -9.39 -1.44 0
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412502 135085397 1 S2F3O3H5C7 A2B3C3D5E7 -255.62 2.81 -10.32 -1.85 0
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412503 135085398 1 STeC11H22 ABC11D22 -23.85 2.34 -7.8 0.14 0
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412504 135085399 1 OC11H14 AB11C14 -39.62 2.19 -9.28 0.46 0
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412505 135085400 1 OSiC13H20 ABC13D20 -79.53 1.79 -9.12 0.04 0
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412506 135085401 1 NSO3C12H17 ABC3D12E17 -108.95 7.03 -10.02 -0.72 0
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412507 135085402 1 NO2C13H15 AB2C13D15 -62.32 0.59 -8.43 -0.46 0
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412508 135085403 1 IO2C13H17 AB2C13D17 -51.08 3.33 -9.43 -0.7 1
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412509 135085404 1 FN2H12C13 AB2C12D13 8.4 2.6 0.0 0.0 0
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412510 135085405 1 OC16H16 AB16C16 71.25 5.13 -9.38 -0.57 0
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412511 135085406 1 ON2C14H16 AB2C14D16 1.1 7.29 -8.55 -0.22 2
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412512 135085407 1 PtSP2O4F8H32C35 ABC2D4E8F32G35 -427.65 22.3 -7.59 -1.03 0
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412513 135085408 1 FBr2N4O4C48H55 AB2C4D4E48F55 -82.67 11.3 -7.84 -1.06 2
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412514 135085409 1 FN4O4C48H55 AB4C4D48E55 -29.44 16.33 -5.93 -1.61 0
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412515 135085410 1 ClNORuC15H29 ABCDE15F29 29.26 5.35 0.0 0.0 0
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412516 135085411 1 AuClN2C33H40 ABC2D33E40 71.06 10.17 -8.85 -1.79 0
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412517 135085412 1 N2C33H40 A2B33C40 35.35 1.5 -8.07 0.23 0