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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228526 87565217 1 SO4H6C10 AB4C6D10 -69.58 5.72 -8.69 -1.18 0
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228527 87565218 1 SiH3O3C10F21 AB3C3D10E21 -1305.61 2.33 -12.01 -1.48 0
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228528 87565219 2 Cl2N3C4H7 A2B3C4D7 38.98 1.23 -9.97 -0.95 1
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228529 87565222 1 ClSF3O4N5C27H32 ABC3D4E5F27G32 -237.04 7.66 0.0 0.0 1
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228530 87565233 1 NO2C13H20 AB2C13D20 -39.74 2.41 0.0 0.0 0
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228531 87565235 1 PO2C30H41 AB2C30D41 -114.1 3.46 -9.04 0.23 0
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228532 87565236 1 PO2C12H29 AB2C12D29 -173.03 3.23 -8.78 1.94 0
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228533 87565237 1 S3N6O8C54H58 A3B6C8D54E58 -74.91 9.68 -8.53 -2.14 0
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228534 87565240 1 O2S2N6H18C19 A2B2C6D18E19 54.93 8.01 -8.56 -1.08 0
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228535 87565241 1 O2C13H22 A2B13C22 -103.52 0.97 -9.8 0.42 0
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228536 87565242 1 O2C13H22 A2B13C22 -97.79 3.65 -9.79 0.27 0
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228537 87565246 1 N2C7H18 A2B7C18 -33.26 3.21 -9.27 3.32 0
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228538 87565249 1 NSC5O5H13 ABC5D5E13 -209.46 14.1 -10.19 -0.8 0
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228539 87565250 1 O6N7C72H77 A6B7C72D77 -84.45 10.0 -8.69 -0.4 0
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228540 87565251 1 O3N4C36H38 A3B4C36D38 -36.55 7.09 -8.81 -0.32 0
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228541 87565253 1 N2O2C17H20 A2B2C17D20 -45.76 2.49 -9.36 -1.31 0
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228542 87565254 2 OH16C18 AB16C18 37.51 2.58 -7.66 -1.29 0
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228543 87565255 1 NSi2O4C13H30 AB2C4D13E30 -202.42 5.11 0.0 0.0 0
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228544 87565259 1 NOSiC5H13 ABCD5E13 -65.2 1.44 -7.17 0.73 0
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228545 87565260 1 N2O7C16H28 A2B7C16D28 -359.64 7.71 -10.2 0.15 0
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228546 87565261 1 H3O4N5C6 A3B4C5D6 97.11 5.82 -10.9 -2.42 0
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228547 87565262 1 H3O4N5C6 A3B4C5D6 90.75 6.96 -10.79 -2.58 0
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228548 87565263 1 N2O8C19H34 A2B8C19D34 -398.92 7.31 -9.97 0.11 1
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228549 87565264 1 SN3F6O6H14C19 AB3C6D6E14F19 -449.3 8.56 0.0 0.0 0
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228550 87565265 1 NaC7H9O9 AB7C9D9 -453.03 4.54 -10.44 -0.79 0
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228551 87565266 1 PN7O9C25H36 AB7C9D25E36 -256.84 6.46 -8.76 -1.11 0
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228552 87565271 1 SCl2N4O4H16C19 AB2C4D4E16F19 -57.52 8.18 -9.4 -1.29 1
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228553 87565274 1 N3O4F6C35H38 A3B4C6D35E38 -414.74 4.38 0.0 0.0 0
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228554 87565278 1 N2O4F6H24C25 A2B4C6D24E25 -411.0 8.99 -9.21 -1.65 0
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228555 87565280 1 SF3N5O7C41H46 AB3C5D7E41F46 -360.2 4.92 -8.89 -1.12 0
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228556 87565288 1 N2O3F7H25C27 A2B3C7D25E27 -434.38 6.25 -9.54 -0.74 0
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228557 87565292 2 O2F3H6C8 A2B3C6D8 -428.65 5.23 -9.73 -1.03 0
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228558 87565293 1 ClN3C27H58 AB3C27D58 -62.14 18.12 -7.2 -0.61 0
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228559 87565294 1 NCl2O5C12H13 AB2C5D12E13 -207.99 3.31 -10.87 -1.32 0
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228560 87565295 1 O6C9H20 A6B9C20 -288.87 5.13 -10.3 0.78 0
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228561 87565296 1 FS2O3N6H17C22 AB2C3D6E17F22 18.21 4.66 -8.76 -1.35 0
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228562 87565297 2 N3O3H4C7 A3B3C4D7 120.34 5.11 -9.76 -2.54 0
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228563 87565299 1 O7C10H22 A7B10C22 -325.4 2.46 -9.81 0.33 0
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228564 87565300 1 O9C10H18 A9B10C18 -417.06 1.96 -10.59 -0.28 1
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228565 87565302 1 NOC9H18 ABC9D18 -28.41 4.05 0.0 0.0 0
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228566 87565305 1 NSO4C14H21 ABC4D14E21 -131.34 17.44 -9.43 -0.67 0
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228567 87565311 1 O2N3C16H37 A2B3C16D37 -103.2 6.08 -8.63 1.27 0
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228568 87565312 1 ClNOC13H26 ABCD13E26 -89.49 12.66 -8.44 0.14 1
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228569 87565313 1 NOC13H26 ABC13D26 -48.33 4.0 0.0 0.0 0
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228570 87565318 1 N2O5C24H24 A2B5C24D24 -49.66 5.52 -8.51 -1.31 0
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228571 87565320 1 SF3N4O5C15H19 AB3C4D5E15F19 -304.71 4.81 -9.15 -0.49 0
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228572 87565321 1 SO3N4C13H18 AB3C4D13E18 -60.3 2.21 -8.79 -0.21 0
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228574 87565323 1 ClO3N7C20H22 AB3C7D20E22 -31.02 5.0 -8.82 -0.74 0
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228575 87565327 1 OCl2H6C7 AB2C6D7 -23.89 2.11 -9.64 -0.74 0
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228576 87565328 2 BrNSO2C31H44 ABCD2E31F44 -89.64 0.84 -9.62 -1.98 0
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228577 87565335 1 NOS2C12H15 ABC2D12E15 -7.29 3.29 -8.83 -0.31 0
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228578 87565336 1 O10C17H34 A10B17C34 -475.94 12.52 -10.03 -0.02 0
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228579 87565338 1 FSN4O4C24H27 ABC4D4E24F27 -96.02 1.66 -9.12 -0.46 1
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228580 87565342 1 NSO4C15H22 ABC4D15E22 -139.19 4.45 0.0 0.0 0
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228581 87565345 1 AsNH3I3O3C8 ABC3D3E3F8 30.83 8.86 -8.01 -2.38 0
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228582 87565348 1 ClO2N3C11H16 AB2C3D11E16 -61.07 1.71 -8.91 -0.99 0
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228583 87565349 1 ClO2N3C11H16 AB2C3D11E16 -59.83 3.73 -9.5 -0.88 0
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228584 87565351 1 ClN2O3H15C22 AB2C3D15E22 6.67 4.04 -8.91 -0.94 0
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228585 87565353 1 NO3C23H37 AB3C23D37 -141.81 6.74 -9.5 0.33 0
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228586 87565354 1 O9C16H32 A9B16C32 -430.96 3.11 -9.98 -0.57 0
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228587 87565355 1 ClFSO3N4C22H26 ABCD3E4F22G26 -96.34 0.78 -9.06 -0.45 0
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228588 87565366 1 O6C9H20 A6B9C20 -284.1 5.8 -10.16 0.4 0
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228589 87565369 1 BrNOC11H22 ABCD11E22 -67.73 10.48 -7.72 -0.77 0
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228590 87565372 1 S2N3O4F6H19C27 A2B3C4D6E19F27 -380.43 8.06 -8.94 -1.16 1
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228591 87565374 1 S2N3O4F6H18C27 A2B3C4D6E18F27 -332.73 6.26 0.0 0.0 0
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228592 87565375 1 FSN4O4C25H29 ABC4D4E25F29 -110.94 4.97 -9.01 -0.4 0
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228593 87565376 1 ClSH2N2C3F3 ABC2D2E3F3 -103.49 3.18 -9.06 -1.73 0
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228594 87565377 1 N3O6C23H25 A3B6C23D25 21.88 3.83 -9.5 -1.18 0
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228595 87565382 1 NSO3C5H13 ABC3D5E13 -147.9 3.94 -9.75 -0.16 0
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228596 87565383 1 O2N3F6H9C14 A2B3C6D9E14 -332.85 3.88 -10.44 -1.72 0
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228597 87565384 1 NSO2C5H11 ABC2D5E11 -91.49 3.14 -9.07 -0.59 0
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228598 87565385 1 ON3F6H11C14 AB3C6D11E14 -293.96 5.13 -10.1 -1.4 1
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228599 87565387 1 NSO4C15H22 ABC4D15E22 -136.43 4.6 0.0 0.0 0
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228600 87565389 2 O5C6H11 A5B6C11 -450.44 8.48 -10.72 -0.18 0
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228601 87565390 1 O7C8H12 A7B8C12 -307.19 8.45 -11.02 -0.36 0