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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135512 51883234 1 SN2O3F4C19H20 AB2C3D4E19F20 -269.92 2.12 -9.41 -1.38 0
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135513 51883235 1 SN2O3F4C19H20 AB2C3D4E19F20 -270.5 3.16 -9.43 -1.35 0
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135514 51883285 1 SN4O4H18C19 AB4C4D18E19 -52.36 5.15 -8.89 -0.83 0
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135515 51883489 1 Cl2N2O4H16C19 A2B2C4D16E19 -125.27 2.84 -8.96 -0.62 0
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135516 51883490 1 Cl2N2O4H16C19 A2B2C4D16E19 -125.73 2.44 -8.97 -0.61 0
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135517 51883876 1 Cl2N3O3C21H21 A2B3C3D21E21 -99.44 2.56 -9.64 -0.81 0
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135518 51884322 1 ClSO2N4H23C24 ABC2D4E23F24 12.84 4.26 -8.84 -0.69 0
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135519 51884913 1 Cl2S2N3O3C17H19 A2B2C3D3E17F19 -83.43 5.2 -8.73 -1.17 -1
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135520 51885299 1 NO3H14C15 AB3C14D15 -55.84 7.84 0.0 0.0 0
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135521 51885300 1 NO3C15H15 AB3C15D15 -70.69 4.02 -8.33 -0.8 -1
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135522 51885301 1 NO3H14C15 AB3C14D15 -55.77 7.95 0.0 0.0 0
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135523 51885470 1 ClNO2C12H16 ABC2D12E16 -87.56 3.19 -8.98 0.0 0
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135524 51885471 1 ClNO2C12H16 ABC2D12E16 -87.42 2.93 -9.04 -0.09 0
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135525 51885748 1 NO5H23C26 AB5C23D26 -129.46 4.6 -9.33 -0.47 0
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135526 51886551 1 FSN2O4H21C22 ABC2D4E21F22 -122.29 4.82 -9.36 -1.42 0
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135527 51886710 1 SN3O4C19H31 AB3C4D19E31 -170.1 4.55 -8.54 0.0 1
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135528 51886858 1 O2N4C22H27 A2B4C22D27 -27.66 3.14 0.0 0.0 0
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135529 51886883 1 N2O2C21H28 A2B2C21D28 -49.75 2.79 -8.49 0.15 -1
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135530 51887363 1 NS2O4C14H14 AB2C4D14E14 -65.29 6.75 0.0 0.0 0
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135531 51887990 1 O3C14H20 A3B14C20 -134.97 4.6 -9.28 -0.01 -1
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135532 51888427 1 F2N2O2H5C9 A2B2C2D5E9 -69.52 2.88 0.0 0.0 -1
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135533 51888428 1 O2N4H9C12 A2B4C9D12 76.92 18.87 0.0 0.0 2
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135534 51888429 1 N2C13H28 A2B13C28 -20.5 2.34 -8.75 1.41 0
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135535 51888430 2 ClNH3C4 ABC3D4 38.39 3.59 -10.15 -1.02 0
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135536 51888431 2 ClNH3C4 ABC3D4 38.13 1.62 -10.01 -0.85 1
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135537 51888432 1 N2F3C5H12 A2B3C5D12 -138.02 4.67 0.0 0.0 1
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135538 51888433 1 ClFNOC10H12 ABCDE10F12 -47.13 4.77 0.0 0.0 1
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135539 51888888 1 N3O4C22H28 A3B4C22D28 -112.85 5.67 0.0 0.0 0
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135540 51888889 1 N3O4C22H27 A3B4C22D27 -125.92 2.89 -9.12 -0.39 0
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135541 51889024 1 FSO2N4C25H33 ABC2D4E25F33 -89.0 4.84 -9.18 -0.88 1
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135542 51889026 1 O2N4C23H37 A2B4C23D37 -78.35 4.15 0.0 0.0 0
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135543 51889027 1 O2N4C23H36 A2B4C23D36 -90.38 5.12 -8.64 0.23 1
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135544 51889346 1 FON2C16H24 ABC2D16E24 -62.86 3.77 0.0 0.0 0
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135545 51890535 1 FNOC16H18 ABCD16E18 -56.47 1.12 -9.07 -0.2 0
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135546 51890536 1 ClNOC16H18 ABCD16E18 -17.07 4.19 -9.26 -0.15 1
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135547 51890552 1 N4C16H25 A4B16C25 63.51 2.09 0.0 0.0 0
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135548 51890773 1 O2N3C13H23 A2B3C13D23 -95.46 5.66 -9.17 0.17 0
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135549 51891352 1 FN2C12H15 AB2C12D15 -11.32 3.56 -8.76 -0.03 0
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135550 51891353 1 FN2C12H15 AB2C12D15 -11.67 3.69 -8.79 -0.05 1
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135551 51891354 1 Cl2N3C12H16 A2B3C12D16 66.67 4.14 0.0 0.0 0
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135552 51891355 1 Cl2N3C12H15 A2B3C12D15 44.14 5.67 -8.84 -0.86 1
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135553 51891356 1 Cl2N3C12H16 A2B3C12D16 64.67 3.96 0.0 0.0 0
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135554 51891867 1 N2O2C11H14 A2B2C11D14 -43.3 0.76 -8.81 -0.39 1
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135555 51892315 1 NOC10H14 ABC10D14 -10.25 2.97 0.0 0.0 0
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135556 51892316 1 NOC10H13 ABC10D13 -30.87 3.67 -9.31 0.28 1
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135557 51892317 1 NOC10H14 ABC10D14 -22.36 2.3 0.0 0.0 0
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135558 51892318 1 NOC10H13 ABC10D13 -30.98 1.98 -9.27 0.26 1
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135559 51892319 1 NOF3C10H13 ABC3D10E13 -176.95 4.91 0.0 0.0 0
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135560 51892320 1 NOF3C10H12 ABC3D10E12 -193.99 3.56 -9.94 -0.61 0
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135561 51892404 1 N5C13H19 A5B13C19 70.76 10.0 -10.16 -0.88 -1
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135562 51893695 1 FNH3O3C8 ABC3D3E8 -34.9 3.49 0.0 0.0 0
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135563 51893898 1 BrFOSN6H20C21 ABCDE6F20G21 40.87 3.74 -8.72 -0.82 0
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135564 51894097 1 O4N5C20H21 A4B5C20D21 -66.55 8.27 -8.68 -0.86 -1
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135565 51894098 1 O3N6H19C20 A3B6C19D20 48.96 5.9 0.0 0.0 -1
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135566 51894099 1 O3N5H16C18 A3B5C16D18 24.89 1.58 0.0 0.0 -1
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135567 51894100 1 SN4O5C17H19 AB4C5D17E19 -114.45 4.69 0.0 0.0 0
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135568 51894467 1 SN3O4C18H25 AB3C4D18E25 -162.09 9.24 -9.08 -0.45 0
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135569 51894540 1 N2S2O4C21H24 A2B2C4D21E24 -98.05 5.36 -9.32 -0.65 0
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135570 51894634 1 O4N5C19H19 A4B5C19D19 -54.98 6.13 -8.9 -1.07 -1
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135571 51894720 1 FOSN4H18C19 ABCD4E18F19 26.44 5.23 0.0 0.0 0
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135572 51894721 1 FOSN4C19H19 ABCD4E19F19 -4.15 6.87 -8.44 -0.77 0
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135573 51894943 1 N2O3S3C16H20 A2B3C3D16E20 -71.13 8.21 -9.3 -1.08 -1
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135574 51895250 1 ON5C11H12 AB5C11D12 75.45 5.35 0.0 0.0 -1
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135575 51895251 1 ON5C12H14 AB5C12D14 71.63 5.34 0.0 0.0 -1
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135576 51895252 1 ON5C13H16 AB5C13D16 66.47 5.34 0.0 0.0 0
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135577 51895592 1 S2N3O3C18H25 A2B3C3D18E25 -80.78 7.37 -8.98 -0.53 -1
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135578 51895956 1 BrFSO2N4H11C15 ABCD2E4F11G15 26.49 7.09 0.0 0.0 0
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135579 51896383 1 ClN2O2S2C15H19 AB2C2D2E15F19 -37.8 6.41 -9.09 -0.81 1
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135580 51896706 1 ClO2N4C15H18 AB2C4D15E18 -40.74 1.31 0.0 0.0 1
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135581 51896707 1 O2N4C12H21 A2B4C12D21 -74.05 1.81 0.0 0.0 0
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135582 51897107 1 ClON5H12C16 ABC5D12E16 68.77 7.38 -9.72 -1.58 0
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135583 51897108 1 O2N5H15C17 A2B5C15D17 36.9 7.81 -9.3 -1.43 0
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135584 51897109 1 O2N5H15C17 A2B5C15D17 36.92 7.68 -9.27 -1.43 0
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135585 51897110 1 ClN2O3H17C19 AB2C3D17E19 -86.62 3.04 -9.38 -1.19 0
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135586 51897111 1 ClN2O3H17C19 AB2C3D17E19 -86.57 2.84 -9.38 -1.19 0
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135587 51897112 1 FN2O3H17C19 AB2C3D17E19 -124.66 3.16 -9.37 -1.18 1
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135588 51897693 1 FSO2N4C20H22 ABC2D4E20F22 -1.81 7.75 0.0 0.0 0
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135589 51897757 1 N3C7H17 A3B7C17 -1.22 1.8 -8.15 2.6 1
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135590 51897758 1 NO4C31H46 AB4C31D46 -167.28 6.38 0.0 0.0 0
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135591 51897824 2 NOC7H7 ABC7D7 7.91 2.39 -9.57 -0.77 0
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135592 51897825 1 FNOC18H18 ABCD18E18 -51.62 3.84 -9.39 -0.21 1
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135593 51898014 1 ON4C33H35 AB4C33D35 91.27 7.45 0.0 0.0 0
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135594 51898028 1 SO5C17H18 AB5C17D18 -160.88 6.22 -8.63 -0.68 0
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135595 51898029 1 NOC9H9 ABC9D9 36.21 1.4 -9.96 -0.25 0
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135596 51898366 1 Cl2N2O4H22C25 A2B2C4D22E25 -120.14 5.96 -9.67 -0.61 0
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135597 51898526 1 ClN2O6C23H27 AB2C6D23E27 -229.87 3.83 -9.19 -0.49 0
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135598 51899274 1 N3O6C26H27 A3B6C26D27 -144.53 5.41 -9.0 -0.67 0
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135599 51899573 1 NCl2O5C21H21 AB2C5D21E21 -194.86 6.81 -9.16 -0.59 0
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135600 51899574 1 NCl2O5C21H21 AB2C5D21E21 -195.25 6.76 -9.19 -0.62 0
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135601 51899575 1 NO5C24H27 AB5C24D27 -178.29 6.22 -9.14 -0.32 0
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135602 51899576 1 NO5C24H27 AB5C24D27 -179.01 3.33 -9.27 -0.48 0
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135603 51899834 1 N2O5C24H24 A2B5C24D24 -145.11 4.85 -8.74 -0.65 0
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135604 51899913 1 N3O6C17H17 A3B6C17D17 -170.25 6.6 -9.96 -0.88 0
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135605 51900868 2 NO2C5H5 AB2C5D5 -68.76 4.46 -9.57 -1.61 0
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135606 51900869 1 O4C15H24 A4B15C24 -200.99 6.31 -10.38 0.31 0
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135607 51900870 1 O11C21H24 A11B21C24 -438.82 4.11 -9.47 -0.65 0
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135608 51900972 1 NO3C14H25 AB3C14D25 -183.74 3.36 -9.64 0.54 1
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135609 51901580 1 O2N5C20H30 A2B5C20D30 11.31 4.46 0.0 0.0 0
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135610 51901746 1 N2O5H24C29 A2B5C24D29 -68.05 4.69 -9.31 -0.87 0
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135611 51901747 1 N3O6H21C26 A3B6C21D26 -24.88 5.03 -9.02 -1.86 1