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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403463 135060457 1 SO2N3H27C32 AB2C3D27E32 80.28 12.38 -7.86 -1.07 0
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403464 135060458 1 ClSO2N3H24C31 ABC2D3E24F31 74.7 14.58 -8.24 -1.15 0
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403465 135060459 1 SN3O4H27C33 AB3C4D27E33 0.76 13.55 -8.26 -1.15 0
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403466 135060460 1 SO2N3H27C32 AB2C3D27E32 79.31 7.62 -8.18 -0.98 0
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403467 135060461 1 SN3O3H27C33 AB3C3D27E33 39.85 4.59 -8.56 -1.24 0
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403468 135060462 1 SO2N3H27C32 AB2C3D27E32 76.34 4.32 -8.19 -0.98 0
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403469 135060465 1 SN3O4H29C33 AB3C4D29E33 11.61 10.27 -7.98 -1.04 0
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403470 135060466 1 SO2N3H27C35 AB2C3D27E35 103.18 5.47 -8.2 -1.0 0
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403471 135060467 1 SO2N3C29H29 AB2C3D29E29 41.82 12.11 -8.03 -1.07 0
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403472 135060468 1 OSN3H17C21 ABC3D17E21 82.45 4.24 -8.4 -1.26 0
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403473 135060471 1 N3O4C16H17 A3B4C16D17 -140.22 4.92 -8.95 -1.24 1
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403474 135060473 1 NC19H42 AB19C42 -65.22 3.09 0.0 0.0 0
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403475 135060474 1 N3O4H23C24 A3B4C23D24 -113.63 3.0 -8.78 -1.17 0
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403476 135060475 1 IO2N3H20C26 AB2C3D20E26 9.99 4.65 -8.28 -1.25 0
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403477 135060476 1 ClON2H13C18 ABC2D13E18 16.08 5.22 -8.47 -0.83 0
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403478 135060477 1 SN3H11C15 AB3C11D15 92.7 3.22 -8.2 -0.66 0
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403479 135060478 2 SC8H10 AB8C10 18.79 1.25 -8.62 -0.44 0
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403480 135060479 1 BrCFOS ABCDE -87.27 1.96 -10.23 -2.81 0
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403481 135060480 1 ClNSeH6C8 ABCD6E8 43.36 5.85 -8.43 -1.23 0
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403482 135060481 1 OC10H18 AB10C18 -37.15 2.41 -10.21 2.21 0
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403483 135060483 1 NO4C12H23 AB4C12D23 -223.44 5.38 -9.79 0.18 0
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403484 135060484 1 OC11H22 AB11C22 -82.62 1.32 -9.61 1.34 0
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403485 135060485 1 NO3C10H19 AB3C10D19 -166.89 2.86 -10.01 0.6 0
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403486 135060486 1 O4C13H26 A4B13C26 -156.0 0.94 -9.41 0.14 0
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403487 135060487 1 O3C10H20 A3B10C20 -109.34 3.09 -9.57 0.09 0
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403488 135060493 1 NSO2C11H17 ABC2D11E17 -98.72 4.02 -8.4 0.02 0
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403489 135060504 1 SN2O4C25H26 AB2C4D25E26 -104.92 6.47 -8.91 -0.92 0
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403490 135060509 1 BrSN2O2H15C19 ABC2D2E15F19 -10.18 4.1 -8.77 -0.83 0
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403491 135060562 1 O4C9H14 A4B9C14 -194.96 3.7 -11.41 -0.09 0
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403492 135060570 1 O2N3H29C34 A2B3C29D34 50.61 6.45 -8.42 -0.65 0
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403493 135060599 1 ClC6H13 AB6C13 -49.87 2.53 -10.36 1.09 0
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403494 135060600 1 OPdH6C7 ABC6D7 49.84 3.81 -7.91 0.79 0
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403495 135060601 1 SO2C8H14 AB2C8D14 -96.45 1.32 -9.28 -0.59 0
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403496 135060603 1 N2O5C11H14 A2B5C11D14 -213.39 7.46 -9.4 -0.22 0
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403497 135060604 2 OC6H9 AB6C9 -64.72 2.05 -10.11 -0.15 0
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403498 135060605 1 OC13H22 AB13C22 -71.62 3.75 -9.67 0.83 0
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403499 135060606 3 OC4H8 AB4C8 -120.49 2.68 -9.45 0.01 0
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403500 135060608 1 NO3C12H21 AB3C12D21 -157.89 1.77 -9.93 0.51 0
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403501 135060609 1 OC13H18 AB13C18 -30.66 2.13 -9.38 0.36 0
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403502 135060611 2 NOH3C4 ABC3D4 13.27 7.87 -9.06 -1.69 0
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403503 135060612 1 SiN2Br3C11H21 AB2C3D11E21 -85.3 2.07 -7.69 -0.41 0
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403504 135060613 1 BSiC11H21 ABC11D21 -21.39 1.11 -8.94 -0.28 0
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403505 135060614 1 SiCl2N2C11H22 AB2C2D11E22 -107.98 0.92 -7.62 0.42 0
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403506 135060615 1 SeN2C8H17 AB2C8D17 25.92 3.85 0.0 0.0 0
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403507 135060616 2 SeN3C5H5 AB3C5D5 238.64 15.02 -6.82 -3.7 0
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403508 135060617 1 OSeC11H20 ABC11D20 -73.01 4.01 -8.09 0.43 0
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403509 135060618 1 NO3C7H13 AB3C7D13 -94.73 3.53 -9.27 -0.06 0
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403510 135060619 2 ClHOC3F4 ABCD3E4 -506.72 2.73 -11.6 -1.22 0
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403511 135060621 2 NO3C11H13 AB3C11D13 -202.98 2.57 -8.71 -0.81 0
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403512 135060622 1 SN4O4H26C28 AB4C4D26E28 -34.16 8.27 -8.81 -1.01 0
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403513 135060623 1 SN2O2H20C29 AB2C2D20E29 66.64 7.5 -8.67 -1.01 0
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403514 135060624 1 SN2O2H20C26 AB2C2D20E26 56.02 7.31 -8.67 -0.97 0
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403515 135060625 1 N2O5H26C30 A2B5C26D30 -57.36 1.17 -8.46 -0.88 0
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403516 135060626 2 N2C10H13 A2B10C13 70.98 2.47 -8.22 -0.56 1
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403517 135060627 1 N2H21C25 A2B21C25 103.15 1.57 0.0 0.0 0
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403518 135060628 1 N2F3O3H13C21 A2B3C3D13E21 -181.12 1.61 -9.09 -1.51 0
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403519 135060631 1 ON2H10C12 AB2C10D12 8.74 5.17 -8.45 -0.43 0
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403520 135060633 1 ON2H24C31 AB2C24D31 80.53 2.48 -7.99 -0.52 0
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403521 135060643 1 N2C19H22 A2B19C22 29.34 0.69 -7.64 0.08 0
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403522 135060646 1 BrIN2O4C29H32 ABC2D4E29F32 -115.41 3.22 -8.28 -0.9 0
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403523 135060650 1 BrN2H15C23 AB2C15D23 114.66 5.12 -8.52 -0.78 0
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403524 135060659 1 SiC14H22 AB14C22 -28.01 0.71 -9.13 0.37 0
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403525 135060660 1 NO2C11H21 AB2C11D21 -62.34 3.52 -9.24 0.43 0
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403526 135060678 1 BrSN2O2H17C20 ABC2D2E17F20 -17.92 3.49 -8.7 -0.96 0
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403527 135060741 1 SSiO2C18H22 ABC2D18E22 -63.33 6.96 -8.99 -0.38 0
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403528 135060742 1 BrSiC17H19 ABC17D19 22.14 4.07 -8.61 -0.17 0
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403529 135060744 1 OSiC15H22 ABC15D22 -45.65 4.5 -9.43 -0.23 0
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403530 135060745 1 BSiO5C27H35 ABC5D27E35 -289.3 4.91 -9.29 -0.43 0
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403531 135060746 1 BSiO5C26H35 ABC5D26E35 -286.42 5.16 -8.57 0.05 0
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403532 135060747 1 SiO2C18H20 AB2C18D20 -43.74 2.13 -8.31 0.08 0
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403533 135060749 1 BSiO2C21H35 ABC2D21E35 -200.39 2.2 -8.55 0.41 0
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403534 135060750 1 BSi2O3C29H49 AB2C3D29E49 -277.82 2.88 -8.64 0.36 0
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403535 135060751 1 OSiC18H22 ABC18D22 -19.43 2.15 -8.49 0.34 0
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403536 135060752 1 SiO2C19H28 AB2C19D28 -116.88 5.0 -9.12 0.19 0
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403537 135060753 1 NSSiO4C21H31 ABCD4E21F31 -154.28 3.24 -8.06 0.09 0
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403538 135060754 1 SiO2C22H28 AB2C22D28 -74.39 3.29 -8.28 0.14 0
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403539 135060755 1 OSiF3C22H25 ABC3D22E25 -199.44 4.15 -8.98 -0.34 0
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403540 135060756 1 OSiC15H24 ABC15D24 -64.51 3.84 -9.33 0.09 0
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403541 135060757 1 OSiC17H24 ABC17D24 -45.2 3.9 -9.4 -0.03 0
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403542 135060760 1 N3O3C16H29 A3B3C16D29 -146.52 5.14 -9.56 0.04 0
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403543 135060761 1 OH20C25 AB20C25 61.37 3.02 -9.24 -0.59 0
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403544 135060762 1 F3O4H13C19 A3B4C13D19 -248.43 4.71 -10.13 -1.38 0
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403545 135060763 2 NO3C8H8 AB3C8D8 -70.96 6.55 -9.47 -0.53 0
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403546 135060764 2 NO2C6H12 AB2C6D12 -74.52 7.32 -11.19 -0.62 0
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403547 135060765 1 O3H12C14 A3B12C14 -51.04 2.82 -9.56 -0.45 -4
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403549 135060768 2 NOH9C10 ABC9D10 30.28 3.37 -7.96 -0.02 -4
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403551 135060770 1 ON2H22C24 AB2C22D24 70.33 2.83 -7.79 -0.38 0
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403552 135060771 2 NO2C13H13 AB2C13D13 -105.17 5.52 -8.71 -0.1 0
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403553 135060772 1 OC18H28 AB18C28 -39.48 1.69 -8.5 1.21 0
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403554 135060773 1 OC23H34 AB23C34 -74.13 3.24 -8.79 0.49 0
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403555 135060774 1 O5C19H20 A5B19C20 -171.33 8.41 -10.05 -0.96 0
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403556 135060775 2 NSi6C18H46 AB6C18D46 -306.15 2.62 -6.84 -0.17 0
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403557 135060782 1 FSO2H19C21 ABC2D19E21 -49.76 5.87 -8.31 -0.27 0
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403558 135060786 1 FN2O14C37H49 AB2C14D37E49 -653.86 2.63 -8.82 -0.37 0
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403559 135060790 1 FNO3H16C18 ABC3D16E18 -114.87 2.84 -8.82 -0.66 0
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403560 135060791 1 FNO2H18C23 ABC2D18E23 -45.74 4.54 -9.01 -1.01 0
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403561 135060806 1 FSO2C19H23 ABC2D19E23 -96.09 4.64 -7.7 -0.12 0
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403562 135060807 1 FSN2O3C11H11 ABC2D3E11F11 -86.41 7.67 -9.84 -1.1 0
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403563 135060808 1 FSO2N3H14C16 ABC2D3E14F16 -19.51 5.05 -9.4 -0.93 0
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403565 135060842 1 ClS2H15C19 AB2C15D19 71.07 0.96 -8.67 -0.55 0