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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400533 135048260 1 BC19H36 AB19C36 -56.6 0.35 0.0 0.0 0
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400534 135048261 1 BLiC20H34 ABC20D34 -39.4 8.17 -8.47 1.67 0
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400535 135048263 1 BLiC20H32 ABC20D32 -30.25 6.72 -8.38 0.31 0
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400536 135048264 1 BClNO2C19H31 ABCD2E19F31 -194.48 5.48 -10.18 0.92 0
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400537 135048266 1 BClC18H34 ABC18D34 -97.64 1.81 -9.83 0.23 0
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400538 135048267 1 BLiOC19H32 ABCD19E32 -52.4 13.75 -7.4 1.01 -1
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400539 135048268 1 BOC19H32 ABC19D32 55.08 1.16 0.0 0.0 0
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400540 135048269 1 BLiSiO2C21H38 ABCD2E21F38 -143.03 9.59 -7.84 1.5 -1
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400541 135048272 1 BOC18H32 ABC18D32 -40.45 6.55 0.0 0.0 0
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400544 135048276 1 BrB2C21H37 AB2C21D37 -95.42 2.4 -9.28 0.04 0
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400545 135048289 1 AlO3C34H57 AB3C34D57 -224.99 4.68 -8.53 0.35 0
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400546 135048301 1 BO6C18H33 AB6C18D33 -326.18 1.68 -10.31 0.33 0
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400547 135048302 1 BC14H27 AB14C27 -65.32 0.19 -9.44 0.8 0
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400548 135048303 1 BLiC22H34 ABC22D34 -53.25 5.94 -8.55 0.09 -1
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400549 135048304 1 BC22H34 AB22C34 -16.67 0.13 0.0 0.0 0
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400550 135048305 1 BO2C26H43 AB2C26D43 -131.23 0.9 -9.07 0.38 0
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400551 135048306 1 BrLiB2C21H38 ABC2D21E38 -108.99 7.11 -8.28 -0.45 -1
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400552 135048307 1 BrB2C21H38 AB2C21D38 -67.0 2.6 0.0 0.0 -1
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400553 135048309 1 BrB2C22H40 AB2C22D40 -71.87 2.27 0.0 0.0 0
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400554 135048311 1 NOC12H23 ABC12D23 -82.07 3.91 -8.96 3.04 0
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400555 135048315 1 BC11H24 AB11C24 -18.72 0.77 0.0 0.0 0
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400556 135048318 1 BOC22H35 ABC22D35 -112.1 0.45 -8.79 0.27 0
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400557 135048320 1 OS2C17H26 AB2C17D26 -51.14 2.74 -8.66 0.65 0
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400558 135048321 1 NO5C24H33 AB5C24D33 -138.15 3.03 -9.58 0.15 0
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400559 135048322 2 NOC9H14 ABC9D14 -41.15 4.01 -8.93 0.15 0
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400560 135048323 1 NSO7C27H37 ABC7D27E37 -207.38 13.69 -8.85 -2.34 1
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400561 135048324 1 NO4C20H30 AB4C20D30 -104.75 3.74 0.0 0.0 0
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400562 135048338 1 BLiC4H9 ABC4D9 90.25 0.95 0.0 0.0 0
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400563 135048345 1 BBr2C3H5 AB2C3D5 -34.07 3.51 -10.31 -1.32 0
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400564 135048349 1 BBrC13H24 ABC13D24 -67.98 2.78 -9.53 0.24 -1
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400565 135048372 1 BSC22H42 ABC22D42 -42.9 0.72 0.0 0.0 0
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400566 135048378 1 BLiC20H32 ABC20D32 -14.27 6.32 -8.46 0.37 0
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400567 135048380 1 BC27H57 AB27C57 -145.93 0.24 -9.76 0.85 0
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400568 135048381 1 BO6C39H75 AB6C39D75 -432.42 2.42 -9.88 0.76 0
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400569 135048382 1 BOC14H21 ABC14D21 -74.62 1.72 -8.82 0.51 0
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400570 135048383 1 BLiOC20H36 ABCD20E36 -74.0 12.06 -7.17 1.8 -1
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400571 135048384 1 BOC20H36 ABC20D36 -47.85 6.83 0.0 0.0 0
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400572 135048385 2 BNC13H20 ABC13D20 18.94 1.62 -8.61 0.6 0
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400573 135048386 1 BCl2H13C15 AB2C13D15 6.44 2.74 -9.11 -0.51 0
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400574 135048387 1 BO5H13C15 AB5C13D15 -221.93 5.12 -9.34 -0.32 0
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400575 135048388 1 BOC22H35 ABC22D35 -111.02 0.32 -8.8 0.33 0
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400576 135048392 1 BLiC16H28 ABC16D28 -45.32 7.71 -7.99 1.19 -1
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400577 135048393 1 BC16H28 AB16C28 -23.77 1.04 0.0 0.0 0
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400578 135048394 1 BO5C16H27 AB5C16D27 -290.21 3.55 -8.72 0.78 0
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400579 135048395 1 BNC35H48 ABC35D48 30.03 0.95 -7.92 0.1 0
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400580 135048396 1 BNC36H48 ABC36D48 45.76 2.14 -8.65 -0.2 0
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400581 135048397 1 O3C17H22 A3B17C22 -71.3 3.81 -8.48 -0.07 0
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400582 135048399 1 N2O5C30H44 A2B5C30D44 -171.56 2.36 -8.03 0.07 0
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400583 135048404 1 BC16H27 AB16C27 -45.11 0.47 -9.27 0.77 0
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400584 135048406 1 SB2O3C27H42 AB2C3D27E42 -194.98 5.2 -8.98 -0.59 0