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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391553 135006459 1 NPF6H12C15 ABC6D12E15 -378.03 14.12 -10.08 -1.97 0
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391554 135006462 1 S2O3C8H14 A2B3C8D14 -140.03 1.76 -8.99 -0.08 0
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391555 135006480 1 Sn2C13H30 A2B13C30 -5.18 0.56 -8.61 1.0 0
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391556 135006487 1 SSiN2O4C32H42 ABC2D4E32F42 -154.51 4.66 -8.66 -0.68 0
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391557 135006490 1 NSO2F3C10H14 ABC2D3E10F14 -214.87 2.25 -8.75 -0.05 0
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391558 135006491 1 NF3H12C17 AB3C12D17 -42.3 4.81 -9.2 -1.24 0
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391559 135006492 1 ClOF3N3C28H29 ABC3D3E28F29 -155.48 5.63 -9.33 -0.79 0
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391560 135006493 2 N3C11H11 A3B11C11 108.47 4.58 -8.68 -0.59 0
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391561 135006556 1 Br2O3H10C12 A2B3C10D12 -77.74 4.68 -9.73 -1.14 0
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391562 135006558 1 OSSnC26H40 ABCD26E40 -28.71 4.6 -8.1 0.14 0
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391564 135006562 2 OC8H8 AB8C8 -7.5 6.29 -9.02 -0.38 0
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391565 135006565 1 NSO2C20H21 ABC2D20E21 -12.88 5.81 -8.57 -0.53 0
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391566 135006566 1 NPSO2C13H30 ABCD2E13F30 -163.34 0.84 -7.97 0.62 0
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391567 135006568 2 FNOSC11H15 ABCDE11F15 -135.41 0.95 -8.54 -0.07 0
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391568 135006571 1 OC14H16 AB14C16 9.59 3.61 -9.64 0.14 0
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391569 135006575 1 BrNOS17C139H168 ABCD17E139F168 25.41 1.47 -8.5 -1.05 0
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391570 135006587 1 NSSiO3C21H29 ABCD3E21F29 -104.81 5.74 -8.51 -0.44 0
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391571 135006588 2 O2C7H7 A2B7C7 -98.81 4.3 -9.46 -0.78 0
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391572 135006605 1 NSF3O3H10C11 ABC3D3E10F11 -222.65 15.34 -10.22 -2.14 0
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391573 135006608 1 ClO2N3C15H16 AB2C3D15E16 -51.19 3.13 -9.11 -1.08 1
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391574 135006620 1 NOC21H28 ABC21D28 10.35 3.08 0.0 0.0 0
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391575 135006626 1 SO2C15H28 AB2C15D28 -128.61 3.49 -8.81 -0.33 0
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391576 135006628 2 NO2C7H9 AB2C7D9 -141.25 3.41 -9.53 -0.56 0
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391577 135006630 1 ON2C15H20 AB2C15D20 -6.06 6.77 -8.97 -0.79 0
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391578 135006652 1 OCl3C6H9 AB3C6D9 -66.52 1.32 -10.52 -0.54 0
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391579 135006673 1 SiO10C45H60 AB10C45D60 -421.85 3.06 -8.81 0.01 0
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391580 135006689 1 NSSiO3C31H41 ABCD3E31F41 -126.18 2.87 -8.48 -0.06 0
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391581 135006693 1 NSF3O3C10H10 ABC3D3E10F10 -242.09 6.74 -8.36 -0.88 0
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391582 135006694 1 O4C15H28 A4B15C28 -230.55 3.63 -10.06 0.69 0
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391583 135006695 1 PRbSSeO6C22H38 ABCDE6F22G38 -274.59 8.02 -7.46 -0.89 0
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391584 135006697 1 SN2O2C23H34 AB2C2D23E34 -34.88 4.57 -8.58 0.44 0
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391585 135006699 1 NOH23C24 ABC23D24 54.61 1.79 -9.23 0.08 0
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391586 135006701 1 BrNOF2H12C15 ABCD2E12F15 -70.45 4.61 -8.84 -0.9 0
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391587 135006711 1 SN3O3C22H31 AB3C3D22E31 -123.83 1.4 -8.82 -0.35 0
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391588 135006716 1 NOPH24C28 ABCD24E28 67.38 1.66 -8.61 0.07 0
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391589 135006717 2 NOC19H22 ABC19D22 3.22 2.77 -8.68 0.34 0
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391590 135006718 1 SiO4C22H34 AB4C22D34 -223.47 1.4 -8.74 0.18 0
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391591 135006758 1 NOF2H9C13 ABC2D9E13 -79.11 4.32 -8.64 -0.7 0
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391592 135006782 1 NCl3O4C11H14 AB3C4D11E14 -185.69 2.32 -11.07 -0.75 0
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391593 135006792 1 ClN2O6C28H37 AB2C6D28E37 -198.61 2.5 -9.6 -0.67 0
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391594 135006793 2 NO3C16H20 AB3C16D20 -174.34 3.35 -9.09 -0.73 0
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391595 135006875 1 N4O6C19H22 A4B6C19D22 -162.21 7.68 -9.72 -1.42 0
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391596 135006879 1 NSO4C29H29 ABC4D29E29 -74.76 5.7 -9.52 -0.8 0
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391597 135006880 1 NSO4H31C34 ABC4D31E34 -35.35 8.53 -9.43 -0.69 0
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391599 135006900 1 NC21H23 AB21C23 69.31 1.78 -8.79 0.28 0
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391600 135006902 1 ClSO2H15C18 ABC2D15E18 0.42 3.76 -8.91 -0.6 0
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391601 135006908 1 ION2C21H23 ABC2D21E23 32.66 13.63 -7.52 -1.96 0
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391602 135006913 1 NSF3O3C21H26 ABC3D3E21F26 -205.39 16.95 -9.6 -1.4 0
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391603 135007017 1 NO2C18H21 AB2C18D21 -31.24 1.5 -7.99 0.09 0
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391604 135007018 1 ClOC13H13 ABC13D13 -29.78 4.62 -9.6 -0.22 1
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391605 135007037 1 NO2C19H22 AB2C19D22 30.02 1.32 0.0 0.0 0
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391606 135007038 1 NO4C14H25 AB4C14D25 -213.37 3.49 -9.95 0.19 0
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391607 135007150 1 NSSiO2C34H45 ABCD2E34F45 -78.64 1.61 -8.36 0.16 0
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391608 135007168 1 NOSH7C8 ABCD7E8 30.89 6.71 -9.0 -1.04 0
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391609 135007171 1 S2O4C31H32 A2B4C31D32 -62.56 1.14 -9.27 -0.46 0
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391610 135007178 1 O7C14H22 A7B14C22 -308.39 2.59 -10.04 -0.22 0
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391611 135007180 1 O6C13H20 A6B13C20 -260.47 4.84 -10.04 -0.01 0
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391612 135007181 1 NaO4C18H21 AB4C18D21 -182.13 8.69 -9.04 0.42 0
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391613 135007184 1 O5C12H20 A5B12C20 -213.39 1.23 -9.9 1.0 0
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391615 135007222 1 O3C21H26 A3B21C26 -45.35 3.29 -9.19 0.1 0
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391616 135007252 1 SiC22H32 AB22C32 -2.8 0.65 -8.54 0.45 0
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391617 135007276 1 Sn2C33H64 A2B33C64 -74.45 1.77 -8.22 0.64 0
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391618 135007277 1 Sn2C33H64 A2B33C64 -73.28 1.38 -8.19 0.59 0
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391619 135007278 1 SnC26H28 AB26C28 86.63 0.96 -8.58 0.45 0
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391620 135007279 1 SnH22C23 AB22C23 123.85 1.08 -8.76 0.23 0
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391621 135007280 1 NOPSnC23H28 ABCDE23F28 2.3 3.92 -8.53 -0.05 0
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391622 135007287 1 OSiSnC18H30 ABCD18E30 -51.9 4.18 -8.38 -0.3 0
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391623 135007288 1 ClO2N4C10H11 AB2C4D10E11 5.37 9.11 -9.74 -1.54 0
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391624 135007293 1 GeO2Si2C23H46 AB2C2D23E46 -189.12 4.55 -8.72 -0.01 0
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391625 135007296 1 NS2O4C7H13 AB2C4D7E13 -186.43 2.64 -9.68 -1.7 0
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391626 135007299 1 S2O3C14H26 A2B3C14D26 -169.63 3.27 -8.21 -0.6 0
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391627 135007307 1 NSO4C18H21 ABC4D18E21 -134.78 5.99 -9.04 -0.44 0
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391628 135007308 1 O3F6H12C17 A3B6C12D17 -383.37 2.2 -8.96 -1.08 0
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391629 135007309 1 NSO3C16H25 ABC3D16E25 -128.64 4.5 -8.33 0.24 0
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391630 135007310 1 NSO3C15H31 ABC3D15E31 -191.66 3.77 -8.24 0.82 0
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391631 135007325 1 O5C20H28 A5B20C28 -203.37 5.03 -9.83 -0.31 0
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391632 135007403 1 N2O3C18H18 A2B3C18D18 0.55 3.7 -8.9 -0.48 0
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391633 135007404 1 N2O2H16C17 A2B2C16D17 19.49 5.18 -9.84 -0.5 0
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391634 135007408 2 O2C11H11 A2B11C11 -107.63 4.66 -8.87 -0.32 0
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391635 135007413 1 SO3C23H34 AB3C23D34 -122.23 3.3 -8.74 -0.47 0
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391636 135007415 1 SO5C15H20 AB5C15D20 -191.36 1.96 -9.1 -0.55 0
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391637 135007423 1 O4H18C19 A4B18C19 -98.61 2.63 -9.45 -0.4 0
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391638 135007434 1 NOSC24H39 ABCD24E39 -34.22 4.0 -8.35 0.66 0
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391639 135007543 1 BrSiO9C29H49 ABC9D29E49 -415.85 3.53 -8.95 -0.6 0
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391640 135007545 1 NH15C22 AB15C22 116.88 4.99 -9.28 -0.85 0
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391641 135007657 1 N2O2C17H22 A2B2C17D22 -76.61 3.35 -8.49 0.27 0
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391642 135007658 1 BrNO2C14H14 ABC2D14E14 -54.08 4.31 -8.98 -0.02 0
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391643 135007659 1 NO3C16H23 AB3C16D23 -99.41 2.9 -8.38 0.98 0
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391644 135007675 1 ON3C25H31 AB3C25D31 79.02 1.61 -8.47 -0.92 0
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391645 135007676 1 NSiO2C19H33 ABC2D19E33 -138.52 6.0 -8.75 -0.06 0
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391646 135007684 1 SeN2O9C22H27 AB2C9D22E27 -338.34 8.22 0.0 0.0 -5
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391648 135007780 1 SiN2C19H38 AB2C19D38 -67.69 1.8 -8.26 0.66 0
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391650 135007795 1 BrSi2N4C33H49 AB2C4D33E49 -79.62 2.12 -7.14 -0.23 0
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391651 135007796 1 NOH17C19 ABC17D19 30.4 5.33 -8.6 -0.2 0
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391652 135007797 1 NO4C9H15 AB4C9D15 -169.92 3.84 -10.25 0.06 0
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391653 135007803 1 N4O8C47H48 A4B8C47D48 -209.79 4.6 -8.74 -0.92 0
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391654 135007807 1 BrN2O2C13H13 AB2C2D13E13 -31.27 2.99 -9.7 -1.43 0
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391655 135007904 1 BNOF4C18H18 ABCD4E18F18 -328.6 13.68 -9.61 -1.7 0
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391656 135007909 1 NSO2C18H27 ABC2D18E27 -86.11 5.59 -9.12 -0.3 0
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391657 135007911 1 Si2O5C53H70 A2B5C53D70 -234.64 4.78 -8.67 -0.03 0