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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14545 414389 1 N2C17H34 A2B17C34 -17.54 1.28 -8.48 1.83 2
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14546 414471 1 N2O2Cl3C9H10 A2B2C3D9E10 -78.62 3.07 0.0 0.0 1
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14547 414478 1 N3O3H16C17 A3B3C16D17 3.87 5.46 0.0 0.0 1
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14548 414479 1 O2N3H12C16 A2B3C12D16 28.66 4.48 0.0 0.0 1
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14549 414483 2 OC9H13 AB9C13 -118.21 5.36 -9.74 0.01 0
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14550 414486 1 SO4C15H31 AB4C15D31 -234.02 7.33 0.0 0.0 0
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14551 414523 1 ClNO2C13H19 ABC2D13E19 -44.9 14.19 0.0 0.0 1
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14552 414534 1 NOC10H13 ABC10D13 -18.79 2.15 -9.51 -0.47 0
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14553 414565 1 NO5C30H32 AB5C30D32 -132.0 2.15 0.0 0.0 1
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14557 414607 1 NCl2F3C13H16 AB2C3D13E16 -174.3 5.16 -9.49 -0.64 0
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14558 414613 1 NO5H12C14 AB5C12D14 -145.52 3.06 0.0 0.0 1
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14559 414673 2 SO2H4C6 AB2C4D6 -105.33 5.98 -8.59 -1.17 0
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14560 414755 2 ON4C13H15 AB4C13D15 21.31 5.01 -8.83 -0.4 0
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14561 414826 1 ON3C13H20 AB3C13D20 21.68 4.71 0.0 0.0 1
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14562 414830 1 ON3C15H22 AB3C15D22 39.18 2.83 0.0 0.0 1
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14563 414833 1 N5O8C29H29 A5B8C29D29 -260.16 5.28 -8.69 -0.96 0
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14564 414848 1 O2N4C13H19 A2B4C13D19 18.64 12.5 0.0 0.0 1
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14566 414929 1 SN4O7H16C20 AB4C7D16E20 -124.64 4.07 -9.19 -2.03 0
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14567 414963 1 NCl2C10H19 AB2C10D19 -45.96 2.29 -9.24 0.54 0
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14568 415025 1 S2C5H5N5O5 A2B5C5D5E5 -63.71 4.74 -11.2 -2.85 0
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14569 415091 1 O3N10H34C36 A3B10C34D36 43.56 8.14 -8.89 -1.35 0
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14570 415104 1 ClO2N8H25C26 AB2C8D25E26 41.21 1.45 -8.38 -1.12 0
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14571 415128 1 SO2N4C13H19 AB2C4D13E19 -47.04 4.52 0.0 0.0 1
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14572 415134 1 P3N9C32H40 A3B9C32D40 23.79 2.96 -7.23 -0.2 0
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14573 415152 1 ON2C26H26 AB2C26D26 32.62 4.52 -8.52 -0.67 0
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14574 415165 1 OS2N4C20H20 AB2C4D20E20 71.42 4.84 -8.81 -0.75 0
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14575 415237 1 N2C16H33 A2B16C33 -3.16 1.54 0.0 0.0 1
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14576 415245 1 NO3H17C22 AB3C17D22 -34.69 2.81 -9.36 -0.78 0
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14577 415248 2 NO2C13H18 AB2C13D18 -139.21 5.41 -8.8 0.08 0
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14578 415249 1 OCl2N2C24H24 AB2C2D24E24 15.81 6.04 -8.76 -0.31 0
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14579 415254 2 NO2C11H14 AB2C11D14 -135.65 0.66 -9.92 -0.27 0
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14580 415334 1 OPCl3N3C23H23 ABC3D3E23F23 -61.15 6.02 -8.79 -0.31 0
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14581 415340 1 O3N4C6H8 A3B4C6D8 4.88 1.33 -9.61 -1.23 0
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14582 415362 1 ClON2H15C16 ABC2D15E16 28.42 4.68 -7.74 -0.48 0
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14583 415387 1 ClON3C5H6 ABC3D5E6 -6.14 5.23 -8.5 -0.53 0
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14584 415398 1 O2N5C9H13 A2B5C9D13 -19.66 3.46 -8.87 -0.82 0
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14585 415416 1 SN2O4C8H11 AB2C4D8E11 -138.37 6.1 0.0 0.0 1
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14586 415418 1 PCl2N3O4C16H18 AB2C3D4E16F18 -127.85 6.23 -9.28 -1.3 0
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14587 415419 1 NO4C10H13 AB4C10D13 -158.24 10.04 -9.01 -0.47 0
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14588 415438 1 ON7C9H13 AB7C9D13 55.82 5.28 -9.64 -1.39 0
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14589 415517 1 NO2C28H45 AB2C28D45 -150.17 1.89 -8.96 0.94 0
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14590 415523 1 O2N5C13H26 A2B5C13D26 -59.19 4.02 0.0 0.0 1
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14591 415621 2 N2C3H3 A2B3C3 91.95 5.89 -9.33 -1.16 0
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14592 415627 1 OC9H10 AB9C10 -16.81 1.62 -8.61 0.13 0
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14593 415683 1 S2N6O9H24C27 A2B6C9D24E27 -277.63 8.26 -8.73 -0.92 0
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14594 415734 1 PCl2N2O3C14H31 AB2C2D3E14F31 -278.79 1.98 -9.35 0.16 0
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14595 415737 1 C3N4H10 A3B4C10 31.64 2.24 -8.38 1.05 0
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14596 415747 1 PCl2N3O6C34H36 AB2C3D6E34F36 -247.29 6.04 -8.15 -0.8 0
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14598 415850 1 PC20H32 AB20C32 17.63 10.7 0.0 0.0 0
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14599 415865 2 NOC13H16 ABC13D16 -44.13 5.68 -8.99 -0.68 0
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14600 415873 2 NO3C10H18 AB3C10D18 -287.51 4.69 -8.68 -0.28 0
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14601 415876 1 NSH11C14 ABC11D14 69.57 1.35 -8.56 -0.76 0
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14602 415881 1 C3F3N4H5 A3B3C4D5 -114.25 5.95 -9.6 -0.66 0
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14603 415888 1 O3N6C26H40 A3B6C26D40 -97.07 3.07 -8.8 -0.42 0
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14604 415892 2 NOC7H14 ABC7D14 -118.05 1.58 -8.77 0.77 0
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14605 415893 1 O3N5C21H30 A3B5C21D30 -56.19 6.27 0.0 0.0 1
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14606 415894 1 N2O2C15H20 A2B2C15D20 -59.21 3.44 -8.62 -0.48 0
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14607 415898 1 PN3O7C18H36 AB3C7D18E36 -364.61 2.6 -8.73 0.42 0
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14608 416005 1 PCl2N2O2C16H25 AB2C2D2E16F25 -161.94 4.3 -9.46 0.12 0
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14609 416006 1 PCl2N2O3C15H23 AB2C2D3E15F23 -190.49 2.21 -9.6 0.06 0
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14610 416042 1 NO2C10H16 AB2C10D16 -58.84 11.95 0.0 0.0 1
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14611 416046 1 SO6N8H28C33 AB6C8D28E33 -19.3 7.71 -8.45 -1.57 0
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14612 416136 2 FN2H6C7 AB2C6D7 -2.16 3.73 -8.8 -0.56 0
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14613 416146 1 SN4C6H6 AB4C6D6 100.31 2.54 -9.83 -1.78 0
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14614 416148 3 ON3C10H11 AB3C10D11 -26.39 8.01 -8.71 -1.04 0
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14615 416149 3 ON3C10H11 AB3C10D11 -23.75 8.72 -8.69 -0.7 0
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14616 416150 1 NO4C9H17 AB4C9D17 -204.75 5.68 -10.5 0.01 0
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14617 416152 1 O6H7N7C8 A6B7C7D8 70.91 5.27 -9.86 -2.33 0
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14618 416153 1 O2N4C9H10 A2B4C9D10 11.46 4.42 -10.54 -1.8 0
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14619 416154 1 ON4C6H6 AB4C6D6 11.13 6.12 -8.36 -0.98 0
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14620 416167 2 N2C4H9 A2B4C9 13.68 0.99 -8.87 0.31 0
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14621 416177 1 NF2O3C14H21 AB2C3D14E21 -189.38 1.35 -8.69 0.07 0
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14622 416346 1 ClHgH4C6 ABC4D6 55.61 1.38 0.0 0.0 0
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14623 416347 1 ClO2C16H17 AB2C16D17 -46.29 0.72 -8.84 -0.18 0
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14624 416348 1 NO2C19H37 AB2C19D37 -154.6 1.55 -8.67 0.85 0