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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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318468 126651457 1 FSN4O5C22H27 ABC4D5E22F27 -116.3 6.57 -8.86 -0.56 0
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318470 126651462 1 FIN2C12H16 ABC2D12E16 -15.19 1.83 -9.27 -0.82 0
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318474 126651468 1 FSN3O5C18H20 ABC3D5E18F20 -210.45 3.26 -8.41 -0.11 0
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318475 126651473 1 ClNO3C19H22 ABC3D19E22 -93.38 5.62 -9.56 -0.04 0
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318476 126651474 1 ClNO3C19H22 ABC3D19E22 -89.83 4.96 -9.48 0.11 -1
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318477 126651475 1 CO2H3S4 AB2C3D4 -60.82 4.52 0.0 0.0 0
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318478 126651477 1 SN4O7C26H34 AB4C7D26E34 -131.9 8.21 -8.83 -0.41 0
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318479 126651480 1 SN5O7C23H29 AB5C7D23E29 -128.37 4.07 -8.77 -0.6 0
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318480 126651481 1 SN5O7C23H29 AB5C7D23E29 -128.27 5.53 -8.78 -0.55 0
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318481 126651490 1 BrNOC6H8 ABCD6E8 25.92 2.45 -9.72 -0.06 0
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318482 126651494 1 NS2O5C12H15 AB2C5D12E15 -179.18 6.91 -9.31 -0.94 0
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318483 126651495 1 BrNOC10H14 ABCD10E14 24.52 3.0 -9.1 0.07 0
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318484 126651501 1 BrN2O2C9H13 AB2C2D9E13 -38.66 2.63 -8.89 -0.09 0
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318485 126651502 1 INO3C13H16 ABC3D13E16 -80.6 4.69 -9.67 -1.34 0
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318487 126651506 1 FINC10H11 ABCD10E11 4.22 2.22 -9.26 -1.03 0
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318488 126651510 1 BrClNC7H11 ABCD7E11 19.48 3.09 -9.28 0.12 0
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318489 126651515 2 SN4O5C22H27 AB4C5D22E27 -46.08 6.12 -8.8 -0.51 0
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318490 126651517 1 SN4O5C23H28 AB4C5D23E28 -13.06 6.5 -8.82 -0.45 0
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318492 126651521 1 BrNC6H8 ABC6D8 72.6 2.35 -9.1 0.14 0
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318493 126651522 1 BrSN2O5C12H15 ABC2D5E12F15 -179.59 7.69 -9.15 -0.37 0
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318494 126651526 1 FSN4O5C24H27 ABC4D5E24F27 -105.79 7.95 -8.67 -0.46 0
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318495 126651532 1 FSN4O5C23H25 ABC4D5E23F25 -104.4 7.13 -8.82 -0.7 0
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318496 126651534 1 BrFNC8H11 ABCD8E11 -14.53 2.43 -8.93 -0.18 0
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318497 126651536 1 SN4O7C22H24 AB4C7D22E24 -161.49 8.01 -8.82 -0.7 0
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318498 126651539 1 FSN4O5C21H25 ABC4D5E21F25 -96.5 9.17 -8.92 -0.6 0
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318499 126651540 1 SN4O5C25H32 AB4C5D25E32 -45.44 5.03 -8.75 -0.44 0
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318500 126651541 1 NF2O6C10H15 AB2C6D10E15 -368.61 3.92 -10.22 -0.01 0
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318501 126651543 1 NSO4C20H25 ABC4D20E25 -111.72 3.55 -9.25 -0.08 0
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318502 126651544 1 S2N8O11C46H56 A2B8C11D46E56 -138.38 2.27 -8.58 -0.56 0
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318503 126651546 1 SCl2F3N4O4C38H45 AB2C3D4E4F38G45 -294.05 1.42 -8.75 -1.19 0
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318504 126651547 2 N2H27C38 A2B27C38 325.54 1.65 -7.72 -0.73 0
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318505 126651550 1 NSH27C37 ABC27D37 198.6 7.54 -6.13 -0.82 0
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318506 126651576 1 NO4C23H29 AB4C23D29 -134.78 4.66 -8.0 0.03 0
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318507 126651577 1 NO3C23H29 AB3C23D29 -107.79 3.42 -8.13 0.14 0
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318508 126651580 1 N2O3C22H28 A2B3C22D28 -99.16 4.42 -8.02 -0.14 0
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318509 126651581 1 BrN2O3C21H25 AB2C3D21E25 -93.0 6.66 -8.35 -0.44 0
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318510 126651582 1 FNO4C23H28 ABC4D23E28 -181.19 3.36 -8.02 -0.14 0
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318511 126651584 1 FNO4C28H30 ABC4D28E30 -149.87 2.18 -8.03 -0.17 0
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318514 126651593 1 N3O4C25H29 A3B4C25D29 -86.81 8.04 -8.15 -0.49 0
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318516 126651620 1 N2O3C27H30 A2B3C27D30 -66.54 6.35 -8.23 -0.25 0
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318517 126651627 1 N6H80C113 A6B80C113 479.72 3.29 -8.04 -0.69 0
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318519 126651643 1 F3C17H33 A3B17C33 -243.83 3.58 -10.8 1.73 0
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318525 126651664 1 N11H111C165 A11B111C165 780.42 4.74 -7.9 -1.17 0
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318532 126651778 1 SN2O2H46C73 AB2C2D46E73 269.37 1.21 -7.88 -0.96 1
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318533 126651781 1 N2C18H27 A2B18C27 52.28 5.27 0.0 0.0 0
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318534 126651783 2 NOC9H17 ABC9D17 -136.13 5.62 -8.89 1.13 0
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318535 126651784 2 ON2C9H15 AB2C9D15 -70.73 4.14 -9.16 -0.42 0
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318536 126651786 1 N2O2C19H28 A2B2C19D28 -91.29 5.24 -8.92 -0.32 0
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318537 126651790 1 N2O2C19H28 A2B2C19D28 -90.78 5.81 -9.2 -0.17 0
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318538 126651792 1 O2N3C11H23 A2B3C11D23 -106.86 1.73 -8.98 0.43 0
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318539 126651810 1 N3H11C12 A3B11C12 95.25 3.32 -9.22 -1.06 0
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318541 126651830 2 ON4H13C15 AB4C13D15 103.3 11.26 -8.72 -2.19 0
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318542 126651834 1 O3N8H28C32 A3B8C28D32 77.49 3.13 -8.58 -2.07 0
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318543 126651837 2 ON4H14C16 AB4C14D16 106.94 6.09 -8.63 -2.13 0
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318544 126651846 1 ON2F3C25H33 AB2C3D25E33 -188.96 4.6 -8.31 -0.47 0
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318545 126651847 1 N2O2F3C25H31 A2B2C3D25E31 -230.4 6.95 -8.84 -0.48 0
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318546 126651848 1 ON2F3C27H29 AB2C3D27E29 -147.74 5.93 -9.05 -0.4 0
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318547 126651849 1 O2F3N3C29H34 A2B3C3D29E34 -187.41 6.11 -8.53 -0.46 0
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318548 126651852 1 NS2F3O3H12C13 AB2C3D3E12F13 -235.23 2.47 -8.98 -1.2 0
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318549 126651853 1 N2F3O3C23H27 A2B3C3D23E27 -264.86 5.43 -8.94 -0.48 0
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318550 126651857 1 F3N3O5H26C27 A3B3C5D26E27 -229.6 10.4 -9.41 -1.34 0
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318551 126651862 1 ON3F6C27H27 AB3C6D27E27 -294.76 5.07 -8.77 -0.66 0
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318553 126651872 1 N2O2F6C23H26 A2B2C6D23E26 -361.4 4.78 -8.83 -0.8 0
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318555 126651885 1 OSN3C7H7 ABC3D7E7 31.02 2.66 -8.64 -1.04 0
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318556 126651886 1 F2O4N8C53H66 A2B4C8D53E66 -242.82 6.53 -8.05 -0.26 0
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318557 126651887 1 N3O4H29C31 A3B4C29D31 -68.49 5.99 -8.86 -1.42 0
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318560 126651892 1 F4O6N10C51H62 A4B6C10D51E62 -379.58 9.57 -8.39 -0.54 0
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318561 126651899 1 O5N6C25H32 A5B6C25D32 -154.67 7.35 -8.98 -0.76 0
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318562 126651900 1 N3F4H15C19 A3B4C15D19 -112.91 5.56 -9.33 -1.13 0
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318565 126651903 1 S4N10O15H26C38 A4B10C15D26E38 -205.37 7.52 -8.99 -2.59 0
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318566 126651904 1 FO3N6H17C21 AB3C6D17E21 7.09 5.25 -8.92 -1.7 0
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318567 126651905 1 S3N9O11H27C38 A3B9C11D27E38 -124.31 12.3 -8.94 -2.2 0
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318568 126651908 1 O3N4C10H14 A3B4C10D14 -63.92 3.4 -9.74 -0.25 0
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318572 126651926 1 OC12H22 AB12C22 -71.02 2.67 -9.58 0.78 0
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318573 126651938 1 O3N5H47C77 A3B5C47D77 302.07 3.34 -8.1 -1.3 0
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318574 126651990 1 O2N3C18H33 A2B3C18D33 -118.57 5.11 -8.95 0.96 0
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318577 126652061 2 FNOC8H9 ABCD8E9 -156.43 1.87 -9.91 -0.54 0
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318578 126652100 1 NOF2C6H11 ABC2D6E11 -168.88 0.77 -9.74 1.67 0
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318579 126652101 1 FO3N4C29H35 AB3C4D29E35 -106.04 4.88 -7.96 -0.44 0
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318580 126652105 1 FO2N3H16C20 AB2C3D16E20 -46.15 9.78 -8.82 -1.05 0
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318581 126652106 1 FN2O2C20H31 AB2C2D20E31 -167.35 2.31 -8.24 0.16 0
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318582 126652109 1 FNOC10H12 ABCD10E12 -56.53 4.42 -8.51 0.13 0
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318583 126652113 1 FON3C23H24 ABC3D23E24 -10.45 7.05 -8.32 -0.7 0
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318584 126652114 1 FON3C22H24 ABC3D22E24 -20.28 3.56 -8.23 -0.74 0
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318585 126652123 2 ON2C15H19 AB2C15D19 -44.75 7.93 -7.92 -0.12 3
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318587 126652127 1 NP3O21C73H102 AB3C21D73E102 -1043.73 8.18 -9.38 0.15 0
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318588 126652128 1 Cl2O2N5C29H39 A2B2C5D29E39 -63.91 1.49 -8.86 -0.45 0
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318589 126652129 2 N2O2H7C12 A2B2C7D12 -34.26 2.46 -10.35 -2.15 0
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318591 126652159 1 FNOC12H18 ABCD12E18 -100.34 4.66 -8.54 0.15 0
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318592 126652163 1 O2N5C27H31 A2B5C27D31 -4.14 10.6 -8.54 -0.76 0
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318595 126652179 1 BrFNO2H5C7 ABCD2E5F7 -31.57 6.53 -10.36 -1.6 0
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318596 126652185 1 IO3N4C15H17 AB3C4D15E17 -22.67 3.45 -8.7 -1.1 0
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318597 126652186 1 BrFN3H17C20 ABC3D17E20 54.18 6.39 -8.79 -0.86 0
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318598 126652194 1 BrFNO3H5C7 ABCD3E5F7 -68.09 5.02 -10.55 -1.82 0
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318599 126652195 1 FO3N5C30H32 AB3C5D30E32 -59.26 9.14 -8.76 -0.93 0
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318600 126652202 6 C3O3H4 A3B3C4 -743.24 4.57 -10.42 -0.54 0
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318601 126652207 1 N2O3C18H26 A2B3C18D26 -104.73 2.76 -8.96 -0.16 3
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318602 126652210 1 NP3O23C29H53 AB3C23D29E53 -1023.94 4.99 0.0 0.0 0
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318603 126652216 1 O2N4C25H30 A2B4C25D30 -24.22 6.37 -7.87 -0.23 0
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318604 126652218 1 FO2N4C30H37 AB2C4D30E37 -94.3 9.19 -8.37 -0.53 0