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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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312511 126606137 1 OSN6C20H24 ABC6D20E24 41.29 4.33 -8.53 -1.25 0
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312512 126606140 2 NOC5H6 ABC5D6 -52.81 2.06 -8.89 -0.61 0
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312513 126606146 1 O2N6C19H24 A2B6C19D24 25.09 4.56 -9.3 -1.18 0
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312514 126606165 1 INOC12H12 ABCD12E12 18.81 1.87 -8.29 -1.2 0
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312515 126606172 1 FSO3N5H12C15 ABC3D5E12F15 48.15 2.5 -9.09 -1.49 0
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312516 126606184 1 OF4N8H18C21 AB4C8D18E21 -121.22 5.45 -8.93 -1.62 0
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312517 126606202 1 FON6C20H21 ABC6D20E21 12.16 4.21 -8.76 -1.25 0
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312518 126606211 1 INF3H5C10 ABC3D5E10 -93.09 3.89 -9.9 -1.58 0
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312519 126606216 1 FON7C20H22 ABC7D20E22 36.79 2.97 -8.44 -1.17 0
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312520 126606218 1 N2F3C9H9 A2B3C9D9 -132.44 4.14 -8.94 -0.42 0
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312521 126606223 1 FSO2N6C22H27 ABC2D6E22F27 -40.99 3.63 -8.39 -1.4 0
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312522 126606233 1 ClO4C8H13 AB4C8D13 -201.58 2.85 -10.56 0.14 0
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312523 126606234 1 NO3C12H15 AB3C12D15 -96.08 2.68 -9.32 -1.09 0
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312524 126606243 1 PN4O4C15H17 AB4C4D15E17 -92.85 3.85 -8.75 -0.8 0
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312525 126606247 2 SO2C4H7 AB2C4D7 -71.16 1.25 -8.99 -0.7 0
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312526 126606250 1 OC12H18 AB12C18 -53.71 1.54 -8.2 0.58 0
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312527 126606255 1 P4S8O9C39H82 A4B8C9D39E82 -830.04 8.01 -9.0 -0.92 0
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312528 126606275 1 HNS2O4F14C20 ABC2D4E14F20 -667.29 5.21 -10.29 -2.58 0
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312529 126606285 1 N2S2F6O6C7H10 A2B2C6D6E7F10 -471.64 4.77 -11.1 -2.41 0
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312530 126606287 1 N2S2C5O5F6H8 A2B2C5D5E6F8 -487.18 4.23 -10.79 -1.95 1
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312531 126606297 1 P4S8O9C27H57 A4B8C9D27E57 -720.54 5.11 0.0 0.0 1
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312532 126606301 1 PN2S2O4F6C25H26 AB2C2D4E6F25G26 -406.72 20.78 0.0 0.0 0
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312533 126606304 2 NF2S2O4H6C7 AB2C2D4E6F7 -440.51 5.2 -10.39 -1.34 0
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312534 126606305 1 NS2O4H9C12 AB2C4D9E12 -96.61 6.21 -10.12 -1.14 0
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312535 126606309 2 NC2H2S2F4O4 AB2C2D2E4F4 -693.16 0.73 -11.55 -2.15 0
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312536 126606325 1 OSN2C5H12 ABC2D5E12 -15.77 3.53 -8.78 0.96 0
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312537 126606328 1 O5C24H24 A5B24C24 -151.3 6.07 -8.83 -1.08 0
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312538 126606333 1 NO2F6C10H11 AB2C6D10E11 -380.22 3.16 -11.17 -1.27 0
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312539 126606336 1 N2S2F6O6C7H12 A2B2C6D6E7F12 -502.07 5.33 -10.56 -2.0 0
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312540 126606337 1 OSN2C4H10 ABC2D4E10 -11.08 4.09 -9.27 0.98 0
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312541 126606344 1 P3O8S8C31H65 A3B8C8D31E65 -691.34 2.27 -9.1 -0.9 0
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312542 126606366 1 O5C36H50 A5B36C50 -267.09 6.65 -8.81 -0.76 0
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312543 126606372 1 O5C37H52 A5B37C52 -264.7 6.71 -8.94 -0.81 0
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312544 126606374 1 O5C22H24 A5B22C24 -151.65 4.9 -8.48 -0.45 0
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312545 126606396 1 O4F5H11C19 A4B5C11D19 -360.59 6.12 -9.47 -1.3 0
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312546 126606403 1 O5C33H42 A5B33C42 -194.29 5.47 -9.0 -0.92 0
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312547 126606415 1 O5C38H54 A5B38C54 -270.81 6.61 -8.9 -0.83 0
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312548 126606432 1 O5H20C22 A5B20C22 -150.76 5.85 -8.96 -0.93 0
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312549 126606442 1 O5C28H32 A5B28C32 -174.16 5.34 -8.99 -1.08 0
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312550 126606445 1 O3C22H24 A3B22C24 -103.68 3.58 -9.06 -1.02 0
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312551 126606481 1 N2O3C8H14 A2B3C8D14 -114.86 3.32 -9.92 0.85 0
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312552 126606486 1 ClO2N4C27H27 AB2C4D27E27 -8.32 5.71 -9.35 -0.89 0
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312553 126606487 1 OS2F3H19C21 AB2C3D19E21 -140.8 9.58 -8.72 -1.79 0
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312554 126606490 1 SO2H18C19 AB2C18D19 -19.67 9.29 -8.84 -1.51 0
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312555 126606496 1 F3O4H21C22 A3B4C21D22 -291.74 6.04 -9.37 -1.19 0
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312556 126606509 1 SN3O3C10H21 AB3C3D10E21 -138.03 6.47 -8.49 0.38 0
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312557 126606514 1 N2O2S2F3C25H25 A2B2C2D3E25F25 -170.87 4.11 -8.62 -1.72 0
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312558 126606515 1 OPF2H11C17 ABC2D11E17 47.06 3.73 -8.93 -1.24 0
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312559 126606518 1 SN2O3C8H14 AB2C3D8E14 -122.62 1.88 -9.43 -0.57 0
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312560 126606520 1 O2F3N3H12C14 A2B3C3D12E14 -159.07 4.28 -9.77 -1.37 0
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312561 126606523 1 NO4C8H17 AB4C8D17 -191.99 3.94 -9.18 1.61 0
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312562 126606525 1 ClF3O3N6C26H26 AB3C3D6E26F26 -188.96 1.81 -9.04 -1.27 0
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312563 126606528 1 SN3O3C11H21 AB3C3D11E21 -116.2 3.44 -9.07 -0.11 0
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312564 126606530 1 NC11H23 AB11C23 -41.07 1.64 -8.9 3.09 0
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312565 126606533 1 SN3O4C14H27 AB3C4D14E27 -190.76 6.2 -8.65 0.19 0
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312566 126606535 1 ClON5H22C24 ABC5D22E24 101.87 5.9 -9.6 -0.95 0
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312567 126606536 1 NC11H23 AB11C23 -37.21 1.57 -8.28 2.95 0
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312568 126606537 1 NOSC10H11 ABCD10E11 -9.69 4.9 -8.44 -0.72 0
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312569 126606538 1 SN2O5C17H26 AB2C5D17E26 -174.25 3.52 -8.41 -0.58 0
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312570 126606539 1 SN3O3C13H25 AB3C3D13E25 -127.32 4.27 -8.96 -0.02 0
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312571 126606540 1 SN2O4C10H18 AB2C4D10E18 -163.35 3.66 -9.35 -0.65 0
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312572 126606541 1 F3O5C33H41 A3B5C33D41 -393.83 5.5 -9.13 -1.05 0
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312573 126606542 1 FSO3N4C10H19 ABC3D4E10F19 -81.37 2.81 -9.11 -0.44 0
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312574 126606543 1 NO3C9H19 AB3C9D19 -153.47 2.08 -9.16 1.48 0
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312575 126606547 1 SN3O4C11H23 AB3C4D11E23 -176.04 4.08 -9.05 -0.1 0
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312576 126606548 1 SN3O3C9H17 AB3C3D9E17 -112.85 2.61 -9.28 -0.7 0
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312577 126606549 1 SO3N5C9H15 AB3C5D9E15 -48.79 4.37 -9.48 -0.61 0
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312578 126606550 1 SN3O3C13H23 AB3C3D13E23 -106.78 3.13 -9.06 -0.46 0
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312579 126606551 1 SN3O3C12H23 AB3C3D12E23 -121.41 5.52 -8.66 0.12 0
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312580 126606553 1 NO4C9H19 AB4C9D19 -184.04 1.83 -9.36 1.42 0
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312581 126606556 1 BrOC8H13 ABC8D13 -24.28 4.27 -10.18 0.06 0
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312582 126606558 1 SN3O4C14H27 AB3C4D14E27 -193.78 0.95 -9.18 -0.06 0
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312583 126606561 1 ClSN3O3C11H20 ABC3D3E11F20 -105.67 1.58 -9.05 -1.0 0
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312584 126606563 1 O3C20H22 A3B20C22 -74.64 4.48 -8.46 -0.39 0
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312585 126606564 1 OC22H30 AB22C30 -64.44 1.77 -8.46 0.66 0
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312586 126606565 1 IOC20H25 ABC20D25 -35.31 3.43 -8.49 -0.91 0
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312587 126606567 1 NOC11H23 ABC11D23 -69.14 0.87 -8.49 2.15 0
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312588 126606568 1 ClO3C22H23 AB3C22D23 -101.13 6.03 -8.94 -1.04 0
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312589 126606638 1 PO3N9C37H38 AB3C9D37E38 65.67 9.94 -8.65 -0.81 0
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312590 126606715 1 OC18H22 AB18C22 -18.47 1.75 -8.6 0.31 0
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312591 126606717 1 IOH19C25 ABC19D25 65.64 3.46 -9.14 -1.31 0
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312592 126606718 2 OC13H18 AB13C18 -24.46 2.65 -8.12 -0.32 0
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312593 126606720 1 PO2N6C37H37 AB2C6D37E37 53.67 5.6 -8.75 -1.08 0
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312594 126606721 1 OH22C26 AB22C26 54.64 1.51 -9.11 -0.02 0
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312595 126606727 1 PO3N9C37H38 AB3C9D37E38 14.83 3.33 -8.42 -0.86 0
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312596 126606734 2 OC11H13 AB11C13 -35.34 2.56 -8.39 -0.27 0
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312597 126606745 1 O3C24H28 A3B24C28 -68.37 2.51 -8.24 -0.34 0
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312598 126606746 1 O2C19H20 A2B19C20 0.83 4.25 -8.55 -0.45 0
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312599 126606747 1 IO3C13H13 AB3C13D13 -77.63 2.83 -8.35 -1.09 0
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312600 126606748 1 ON2C26H32 AB2C26D32 4.86 3.01 -7.94 -0.12 0
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312601 126606749 1 NO3C15H17 AB3C15D17 -49.76 4.37 -8.3 -0.98 0
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312602 126606750 1 NO4C18H23 AB4C18D23 -114.82 4.16 -8.39 -0.54 0
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312603 126606751 1 O3H18C20 A3B18C20 -37.88 4.59 -8.62 -0.53 0
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312604 126606762 1 O2H16C21 A2B16C21 -14.35 1.33 -8.48 -0.71 0
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312605 126606764 1 O2H12C13 A2B12C13 18.54 5.48 -9.23 -0.87 0
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312606 126606788 1 Cl2F2O2N3H27C30 A2B2C2D3E27F30 -127.07 3.72 -9.27 -0.95 0
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312607 126606789 2 NO2H5C7 AB2C5D7 -102.66 3.36 -8.82 -1.9 0
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312608 126606791 1 N2O4H12C13 A2B4C12D13 -133.57 3.31 -9.09 -1.48 0
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312609 126606792 1 O5C14H16 A5B14C16 -171.05 2.88 -8.45 -0.49 0
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312610 126606793 2 N2O3C13H16 A2B3C13D16 -221.09 6.04 -9.17 -1.0 0