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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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448449 135291032 1 H2N2O2F8C11 A2B2C2D8E11 -337.05 3.13 -10.95 -1.82 0
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448450 135291034 1 NC18H27 AB18C27 4.2 1.63 -8.77 0.46 0
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448451 135291036 1 N2O5C21H24 A2B5C21D24 -173.3 3.98 -8.83 0.06 0
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448452 135291038 1 O3C16H20 A3B16C20 -123.91 1.29 -9.68 0.07 0
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448453 135291042 1 ON2C17H22 AB2C17D22 22.6 3.4 -9.07 -1.29 0
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448454 135291063 1 O3C10H18 A3B10C18 -170.46 2.03 -9.95 0.88 0
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448455 135291064 1 O2C13H14 A2B13C14 -29.53 2.31 -9.43 0.31 0
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448456 135291066 1 O2N6C25H26 A2B6C25D26 41.39 5.97 -8.35 -1.0 0
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448457 135291067 1 FO4N7C30H32 AB4C7D30E32 -58.17 10.4 -8.32 -1.03 0
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448458 135291072 1 SN5O9C30H53 AB5C9D30E53 -421.06 19.93 -9.14 -0.42 0
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448459 135291075 1 S3N4O10C35H64 A3B4C10D35E64 -524.59 16.49 -8.04 -0.7 0
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448460 135291077 1 SO2N3C21H23 AB2C3D21E23 -12.56 9.23 -8.16 -0.7 0
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448461 135291092 1 NOC10H17 ABC10D17 -60.59 2.14 -9.57 1.24 0
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448462 135291093 1 F2N2S2O5C14H14 A2B2C2D5E14F14 -242.77 5.78 -9.92 -1.19 0
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448463 135291113 1 SN3O4C15H29 AB3C4D15E29 -220.26 3.89 -9.34 0.16 0
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448464 135291129 1 S2N5O6C39H47 A2B5C6D39E47 -66.92 7.33 -8.37 -0.64 0
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448465 135291132 1 NCl2C15H21 AB2C15D21 -18.89 2.02 -8.72 -0.37 0
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448467 135291152 1 SO4N6C29H34 AB4C6D29E34 -16.02 6.1 -8.04 -0.8 0
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448468 135291153 1 O2N3H21C22 A2B3C21D22 24.51 6.07 -8.78 -0.65 0
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448469 135291160 1 O2N3H21C23 A2B3C21D23 44.68 6.25 -8.82 -0.67 0
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448470 135291162 1 N3O3C35H71 A3B3C35D71 -222.94 2.29 -8.91 1.95 0
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448471 135291163 1 O3C13H24 A3B13C24 -180.94 8.3 -10.37 0.0 0
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448473 135291211 1 NO6C34H53 AB6C34D53 -312.23 1.7 -9.23 -0.31 0
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448474 135291215 1 N11O13C63H105 A11B13C63D105 -497.11 3.55 -8.63 -0.44 0
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448475 135291248 1 N11O12C61H111 A11B12C61D111 -660.94 1.53 -9.18 0.26 0
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448476 135291262 1 NO7C34H55 AB7C34D55 -373.71 4.52 -9.41 0.5 0
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448477 135291267 1 N11O12C66H113 A11B12C66D113 -635.1 17.04 -8.98 0.12 0
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448479 135291287 1 N11O12C62H113 A11B12C62D113 -662.45 7.05 -9.32 0.19 0
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448480 135291288 1 N11O13C65H109 A11B13C65D109 -300.83 41.11 -5.35 -3.1 0
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448481 135291291 1 NO8C32H55 AB8C32D55 -429.72 4.94 -9.76 -0.48 0
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448482 135291296 1 N11O12C67H115 A11B12C67D115 -642.17 12.97 -9.15 0.08 0
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448483 135291313 1 NO9C44H69 AB9C44D69 -437.89 3.8 -9.32 0.34 0
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448484 135291317 1 N11O12C58H103 A11B12C58D103 -328.13 17.73 -5.89 -2.23 0
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448485 135291320 1 N11O12C62H113 A11B12C62D113 -649.22 15.02 -8.96 0.1 0
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448486 135291324 1 ClC17H35 AB17C35 -97.41 2.46 -10.56 0.91 0
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448487 135291326 1 ClC16H33 AB16C33 -92.74 2.6 -10.51 0.95 0
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448488 135291327 2 O2C8H15 A2B8C15 -230.64 2.95 -10.81 0.32 0
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448489 135291334 1 OP2C9H22 AB2C9D22 -77.46 2.04 -8.87 1.92 2
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448490 135291338 2 NO4C23H31 AB4C23D31 -215.98 10.06 -9.07 -0.5 2
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448491 135291339 2 NO15C46H68 AB15C46D68 -1264.97 2.38 -8.23 -0.25 0
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448492 135291342 1 NF3C11H14 AB3C11D14 -155.06 2.67 -9.94 -0.71 0
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448493 135291360 1 NF3C11H14 AB3C11D14 -150.42 1.05 -9.85 -0.71 0
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448494 135291361 1 NF3C12H18 AB3C12D18 -144.38 4.75 -9.32 0.18 0
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448495 135291364 1 O2S2N3H17C19 A2B2C3D17E19 39.51 6.28 -8.55 -0.84 0
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448496 135291365 1 P4O13C129H182 A4B13C129D182 -817.21 4.66 -8.27 -0.11 0
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448497 135291367 2 O4C13H16 A4B13C16 -305.23 3.7 -8.81 -0.47 0
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448499 135291382 1 SN2O4C16H18 AB2C4D16E18 -151.03 4.89 -9.65 -1.33 0
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448500 135291385 1 O3C16H28 A3B16C28 -100.46 3.54 -9.23 -0.57 0
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448501 135291388 1 ClNOF3C16H21 ABCD3E16F21 -212.73 2.02 -8.9 -0.8 0
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448502 135291393 1 SO2N4C21H22 AB2C4D21E22 9.41 6.08 -9.71 -1.4 0
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448503 135291395 1 F3C26H35 A3B26C35 -191.27 4.18 -8.84 -0.26 0
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448504 135291407 1 ClSN4O4H17C19 ABC4D4E17F19 -120.79 3.61 -8.96 -1.32 0
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448505 135291409 1 ClS2O3N4H19C20 AB2C3D4E19F20 -67.21 4.84 -8.76 -1.54 0
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448506 135291416 1 FN6C34H39 AB6C34D39 30.74 3.6 -7.97 0.22 0
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448507 135291424 1 N4C9H14 A4B9C14 29.09 2.1 -8.95 -0.06 0
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448508 135291437 1 N2C11H22 A2B11C22 -5.4 2.16 -8.58 1.08 0
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448509 135291438 1 F4O6N10C51H60 A4B6C10D51E60 -356.19 4.44 -8.24 -0.63 0
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448510 135291444 2 NC5H8 AB5C8 -2.76 3.3 -8.43 0.28 0
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448511 135291446 1 SN2O2C22H26 AB2C2D22E26 -51.94 2.93 -8.57 -0.9 0
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448512 135291449 1 N2C9H16 A2B9C16 8.65 2.37 -9.4 0.73 0
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448513 135291453 1 PN2O8C9H19 AB2C8D9E19 -418.35 7.19 -9.02 0.22 0
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448514 135291455 1 F2O8N10C61H72 A2B8C10D61E72 -327.05 8.37 -8.5 -0.45 0
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448515 135291458 2 NO2C13H13 AB2C13D13 -79.12 5.48 -8.78 -0.48 0
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448516 135291469 1 SO7C21H24 AB7C21D24 -269.09 6.26 -8.93 -0.33 0
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448517 135291481 2 N2O4C7H11 A2B4C7D11 -231.46 6.24 -10.13 -1.35 0
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448518 135291491 2 NC6H9 AB6C9 56.93 2.78 -8.58 -0.33 0
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448519 135291498 1 N2O3C16H26 A2B3C16D26 -113.8 2.29 -8.34 0.28 0
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448520 135291516 1 IN3C5H12 AB3C5D12 34.02 5.34 -9.26 -0.83 0
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448521 135291532 1 O5C12H20 A5B12C20 -256.67 2.24 -9.88 0.6 0
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448522 135291540 1 IN3C5H10 AB3C5D10 27.89 2.37 -9.02 -1.1 0
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448523 135291548 1 ION2C4H7 ABC2D4E7 4.6 2.0 -9.37 -1.43 0
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448524 135291578 1 IN2C5H13 AB2C5D13 -6.47 3.19 -9.16 -0.88 0
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448525 135291579 1 IN2C6H13 AB2C6D13 10.2 4.14 -8.97 -0.8 0
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448526 135291616 2 ON2H29C48 AB2C29D48 396.49 3.96 -7.91 -0.81 0
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448527 135291619 1 Cl2P2S2F3N5O9C18H26 A2B2C2D3E5F9G18H26 -628.47 7.39 -8.84 -0.78 0
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448528 135291639 2 OC12H12 AB12C12 -31.52 4.07 -8.91 -0.55 0
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448529 135291640 1 ION2H5C10 ABC2D5E10 70.0 3.19 -9.54 -1.44 0
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448530 135291645 1 FC10H11 AB10C11 -21.7 1.58 -9.34 -0.06 0
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448531 135291649 1 NO3C12H23 AB3C12D23 -191.11 5.31 -10.5 0.94 0
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448532 135291652 1 NO3C10H19 AB3C10D19 -152.7 5.61 -9.64 0.66 0
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448533 135291668 1 O2N3C26H43 A2B3C26D43 -74.32 2.06 -8.08 0.51 0
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448534 135291672 1 O2S2N4C19H36 A2B2C4D19E36 -68.64 2.64 -8.81 -1.04 0
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448535 135291683 1 ON2C14H30 AB2C14D30 -71.04 2.52 -9.1 2.22 0
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448536 135291705 1 N2O3C15H28 A2B3C15D28 -149.42 4.12 -9.25 1.31 0
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448537 135291708 1 FN2O3C15H25 AB2C3D15E25 -213.15 5.05 -9.65 0.46 0
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448538 135291721 1 NO3C11H21 AB3C11D21 -157.4 4.77 -9.64 0.67 0
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448539 135291726 1 FNOC17H24 ABCD17E24 -75.07 3.41 -8.99 0.05 0
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448540 135291728 1 FON3C15H28 ABC3D15E28 -86.46 4.83 -8.43 2.06 0
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448541 135291736 1 N2C11H16 A2B11C16 26.55 1.37 -8.29 0.32 0
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448542 135291738 1 NOC14H29 ABC14D29 -102.41 3.1 -9.02 2.84 0
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448543 135291739 1 ON2C11H22 AB2C11D22 -37.44 2.78 -8.46 2.0 0
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448544 135291747 1 SO4N7C25H31 AB4C7D25E31 -66.36 6.0 -8.12 -0.75 0
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448545 135291753 1 FN2O2C14H25 AB2C2D14E25 -163.73 3.03 -8.83 0.89 0
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448546 135291755 1 FN2O3C12H19 AB2C3D12E19 -191.06 7.21 -9.78 0.43 0
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448547 135291756 1 N2O3C12H22 A2B3C12D22 -163.67 2.35 -9.36 0.65 0
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448548 135291761 1 IC5S5H9 AB5C5D9 25.12 1.93 -8.46 -1.56 0
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448549 135291776 1 O2F3N7H26C27 A2B3C7D26E27 -119.11 3.72 -8.73 -1.04 0
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448550 135291787 1 ClFO2N3C17H31 ABC2D3E17F31 -163.9 6.93 -8.79 0.41 0
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448551 135291788 1 FO2N5C18H34 AB2C5D18E34 -143.63 3.79 -8.63 0.38 0
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448552 135291792 1 FON2C18H27 ABC2D18E27 -82.45 4.1 -8.54 0.0 0