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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14467 412203 1 ON2C19H24 AB2C19D24 3.63 4.36 -8.0 0.4 0
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14469 412220 1 ON2C21H44 AB2C21D44 -109.47 3.04 -9.16 1.05 0
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14470 412314 1 SN2O4C7H16 AB2C4D7E16 -167.04 3.81 -9.06 -0.34 0
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14471 412405 1 N2O3C17H26 A2B3C17D26 -138.35 5.15 -9.09 -0.51 0
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14472 412406 1 N2O3C18H28 A2B3C18D28 -141.5 6.53 -9.09 -0.53 0
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14473 412407 1 ClN2O3C13H19 AB2C3D13E19 -129.95 1.01 -8.71 -1.04 0
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14474 412484 1 ClN2O2C11H15 AB2C2D11E15 -77.26 2.57 -9.01 -0.35 0
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14475 412523 1 N2O3C17H26 A2B3C17D26 -140.69 2.4 -9.18 -0.64 0
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14476 412570 1 ClNO2C17H18 ABC2D17E18 -49.61 3.25 -9.12 -0.17 0
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14477 412572 1 ClON2C18H25 ABC2D18E25 -4.22 0.66 -8.47 -0.48 0
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14478 412584 2 N3C5H8 A3B5C8 111.45 9.36 -9.57 -1.67 0
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14479 412744 1 N2O3C13H18 A2B3C13D18 -120.81 2.69 -9.0 -0.6 0
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14480 412757 1 ClN2O2C13H17 AB2C2D13E17 -76.97 4.73 -8.77 -0.23 0
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14481 412761 1 ClN2O3C17H27 AB2C3D17E27 -136.73 1.6 -8.73 -0.65 0
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14482 412773 1 NOC16H27 ABC16D27 -61.03 2.57 -9.0 0.36 0
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14483 412798 1 ClNC9H18 ABC9D18 -35.45 3.02 -8.8 0.91 0
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14484 412855 1 ON2C12H19 AB2C12D19 -32.52 4.85 0.0 0.0 1
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14485 412917 2 N2C9H12 A2B9C12 46.5 2.32 -8.32 -0.58 0
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14486 412954 1 PN2O2C10H21 AB2C2D10E21 -120.48 2.82 -9.71 1.02 0
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14487 413038 1 SO2N3C5H11 AB2C3D5E11 -74.85 1.03 -9.48 -0.28 0
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14488 413051 1 NOC10H19 ABC10D19 -62.96 2.51 -8.75 0.77 0
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14489 413114 1 N2C13H20 A2B13C20 23.15 2.07 -8.61 0.42 0
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14490 413163 1 S2N6O12H20C25 A2B6C12D20E25 -156.91 5.72 -8.45 -2.78 0
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14491 413263 1 OCl2N5H7C10 AB2C5D7E10 89.8 6.96 -9.98 -1.79 0
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14492 413264 1 ClON5H8C10 ABC5D8E10 92.8 6.85 -9.88 -1.62 0
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14493 413267 1 N2O3C21H35 A2B3C21D35 -148.76 3.05 0.0 0.0 1
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14494 413269 1 N2O3C27H47 A2B3C27D47 -116.98 3.93 0.0 0.0 1
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14495 413281 1 ClON2C17H19 ABC2D17E19 7.22 2.75 -7.98 -0.44 0
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14496 413323 1 ClSN5H12C13 ABC5D12E13 117.85 3.04 -9.24 -1.81 0
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14497 413352 1 N2C11H12 A2B11C12 58.38 0.9 -8.35 -0.37 0
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14498 413355 1 NC22H41 AB22C41 -49.37 2.84 -7.5 0.88 0
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14499 413356 1 NC24H44 AB24C44 -61.17 2.07 0.0 0.0 1
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14500 413369 1 ClNOC12H19 ABCD12E19 -3.24 2.88 0.0 0.0 1
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14501 413376 1 NO2C6H13 AB2C6D13 -104.72 5.85 -9.98 0.79 0
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14502 413378 1 NOC9H13 ABC9D13 -38.31 1.87 -8.76 0.12 0
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14503 413379 2 SN3O4C8H8 AB3C4D8E8 -199.24 1.82 -9.05 -1.14 0
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14504 413380 2 SN3O3C8H8 AB3C3D8E8 -99.39 7.62 -9.18 -1.38 0
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14505 413391 1 AsC19H19 AB19C19 154.86 1.46 -8.05 0.16 0
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14506 413392 1 NSO2C21H29 ABC2D21E29 -61.91 2.2 -8.57 -0.1 0
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14507 413393 2 N3O6C7H12 A3B6C7D12 -441.85 2.56 -9.78 -1.18 0
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14508 413395 1 ClCo AB 73.5 2.33 -9.2 -7.85 2
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14509 413415 1 S2N9O16H17C28 A2B9C16D17E28 -128.05 3.03 -9.27 -3.08 0
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14511 413463 1 O3H18C25 A3B18C25 -19.14 5.86 -8.58 -0.83 0
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14512 413479 1 NO4C15H21 AB4C15D21 -150.99 2.82 -8.64 -0.78 0
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14513 413526 1 BrN5C8H10 AB5C8D10 49.65 2.31 -8.51 -0.28 0
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14514 413527 1 N5C14H15 A5B14C15 76.43 3.08 -8.33 -0.18 0
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14515 413540 2 NC9H10 AB9C10 60.87 2.69 -8.91 0.22 0
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14516 413541 1 SN2C8H10 AB2C8D10 44.66 2.5 -9.19 -0.3 0
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14517 413542 1 ON2C12H16 AB2C12D16 -8.28 3.02 -8.89 0.09 0
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14518 413546 1 N2C25H35 A2B25C35 64.04 2.84 0.0 0.0 1
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14519 413549 2 NC6H8 AB6C8 32.19 2.74 -8.88 0.24 0
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14520 413552 1 SO7C13H18 AB7C13D18 -289.48 3.17 -8.96 -0.28 0
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14521 413584 1 AsClN2O2C12H12 ABC2D2E12F12 -55.07 5.73 -8.5 -0.47 0
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14522 413586 1 AsOH23C26 ABC23D26 135.36 4.3 -8.32 -0.42 0
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14523 413599 1 N3O4C27H50 A3B4C27D50 -166.64 5.25 0.0 0.0 1
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14524 413600 3 NO3C11H14 AB3C11D14 -271.99 4.62 0.0 0.0 1
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14525 413652 1 SN6C12H12 AB6C12D12 126.9 6.58 -9.45 -1.4 0
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14526 413656 1 ClNO5C24H28 ABC5D24E28 -171.19 2.41 -8.49 -0.08 0
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14528 413659 1 N4O5H12C16 A4B5C12D16 -15.16 5.23 -9.57 -1.73 0
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14529 413672 1 ClN2O2C24H31 AB2C2D24E31 -78.59 2.9 -8.28 -0.57 0
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14530 413677 1 SN3O3C20H23 AB3C3D20E23 -23.38 7.98 -8.67 -1.0 0
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14531 413786 1 ClOPN2C5H10 ABCD2E5F10 -31.35 3.18 -9.96 0.44 0
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14532 413817 1 C4N5O5H7 A4B5C5D7 -56.3 4.66 -10.69 -1.47 0
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14533 413912 1 N4O5C11H14 A4B5C11D14 -50.47 7.24 -9.53 -1.49 0
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14534 413937 1 N5C13H19 A5B13C19 88.0 7.22 -9.46 -0.25 0
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14535 413938 1 NOC11H13 ABC11D13 -7.98 1.95 -8.9 -0.2 0
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14536 414019 1 BrH3N4C5 AB3C4D5 104.79 2.55 -10.82 -2.15 0
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14537 414066 2 N2O2C3H4 A2B2C3D4 -4.04 0.47 -9.56 -0.96 2
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14538 414073 2 NOC5H6 ABC5D6 -50.01 3.56 -9.79 -0.2 0
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14539 414076 1 BrNO2C8H10 ABC2D8E10 -55.27 4.46 -8.07 -0.04 0
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14540 414077 1 N2O4H8C11 A2B4C8D11 -35.95 6.17 -9.77 -1.55 0
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14541 414092 1 NOC8H19 ABC8D19 -79.02 1.67 -8.93 2.61 0
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14542 414139 1 NO3H12C13 AB3C12D13 -56.78 2.41 0.0 0.0 1
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14543 414149 1 PN2O2C14H15 AB2C2D14E15 -39.64 2.53 -8.85 -0.51 0
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14544 414194 1 NOC12H20 ABC12D20 -18.97 2.36 0.0 0.0 1