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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147573 53787229 2 OC8H14 AB8C14 -79.31 1.31 -10.09 2.09 0
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147574 53787230 1 O2N3C15H23 A2B3C15D23 -74.56 2.94 -9.28 -0.86 0
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147575 53787231 1 NO4C8H15 AB4C8D15 -173.34 2.89 -10.04 -0.25 0
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147576 53787232 1 S9N19O25C122H135 A9B19C25D122E135 -620.02 17.55 -8.1 -1.25 0
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147577 53787233 1 S2N4O5C23H26 A2B4C5D23E26 -132.27 6.45 -9.41 -1.07 0
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147578 53787234 1 S2N3O5C24H27 A2B3C5D24E27 -150.72 3.48 -8.99 -0.84 0
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147579 53787235 1 SN3O5C27H27 AB3C5D27E27 -91.05 4.43 -9.2 -0.94 0
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147580 53787236 1 S2N4O5C25H28 A2B4C5D25E28 -119.56 5.18 -9.42 -0.92 0
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147581 53787237 1 O3C12H16 A3B12C16 -134.96 4.19 -9.91 -0.59 0
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147582 53787238 1 O2N5C18H31 A2B5C18D31 -61.3 2.35 -8.33 0.62 0
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147583 53787239 1 NOC12H15 ABC12D15 12.01 1.85 -10.27 0.32 0
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147584 53787240 1 N3O4C22H23 A3B4C22D23 -62.42 3.87 -9.57 -0.76 0
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147585 53787241 1 SN3O6C34H39 AB3C6D34E39 -179.54 7.86 -8.95 -0.72 0
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147586 53787242 1 NO4C28H55 AB4C28D55 -296.57 3.13 -10.06 0.4 0
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147587 53787243 1 PSO5C13H21 ABC5D13E21 -268.63 2.84 -9.31 -0.46 0
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147588 53787244 2 NSC12H19 ABC12D19 -14.35 6.93 -8.23 -0.81 0
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147589 53787245 1 N4O9C30H34 A4B9C30D34 -302.55 5.6 -9.2 -1.62 0
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147590 53787246 1 N4O9C30H34 A4B9C30D34 -302.35 11.92 -9.37 -1.87 0
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147591 53787247 1 N4O9C30H34 A4B9C30D34 -302.25 5.1 -8.94 -1.44 0
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147592 53787248 1 OC20H34 AB20C34 -41.68 1.72 -9.09 0.56 0
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147593 53787249 1 ClN2O4C19H19 AB2C4D19E19 -79.69 5.66 -8.66 -0.46 0
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147594 53787250 1 ClOH11C12 ABC11D12 25.91 4.0 -9.63 -0.41 0
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147595 53787251 1 OCl2N3C15H15 AB2C3D15E15 -11.15 7.87 -9.45 -0.54 0
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147596 53787252 1 N3O3C13H25 A3B3C13D25 -162.97 4.82 -9.6 0.54 0
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147597 53787253 1 FO5C26H41 AB5C26D41 -329.76 3.97 -9.27 0.24 0
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147598 53787254 1 SO5N7C13H13 AB5C7D13E13 -36.57 3.03 -9.82 -1.27 1
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147599 53787255 1 SO6N7H20C22 AB6C7D20E22 -28.48 6.84 0.0 0.0 0
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147600 53787256 1 O3N4C15H18 A3B4C15D18 -85.16 4.54 -9.16 -0.86 0
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147601 53787257 1 O5C22H40 A5B22C40 -292.35 5.26 -10.07 0.49 0
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147602 53787258 1 O3C28H48 A3B28C48 -208.05 1.29 -8.69 0.04 0
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147603 53787259 1 O2N5H17C18 A2B5C17D18 9.26 4.37 -8.62 -0.67 0
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147604 53787260 1 NPO4C17H34 ABC4D17E34 -257.53 3.26 -8.7 0.2 0
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147605 53787261 1 ClSN4O6H25C30 ABC4D6E25F30 -76.8 7.29 -8.72 -1.32 0
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147606 53787262 1 N4O6C29H40 A4B6C29D40 -222.95 1.68 -8.96 -0.33 0
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147607 53787263 1 N2O6H14C15 A2B6C14D15 -137.07 2.36 -10.73 -1.82 0
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147608 53787264 1 OSN3C24H27 ABC3D24E27 17.68 1.59 -8.65 -1.25 0
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147609 53787265 1 NCl2O2C5H7 AB2C2D5E7 -111.05 2.55 -10.96 -0.92 1
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147610 53787266 1 ON4H27C28 AB4C27D28 82.4 5.1 0.0 0.0 0
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147611 53787267 1 N2S3O4H26C28 A2B3C4D26E28 -59.48 7.21 -9.14 -1.09 0
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147612 53787268 1 BrNOF2H8C11 ABCD2E8F11 -102.51 5.1 -9.92 -1.37 0
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147613 53787269 1 O6H10C11 A6B10C11 -226.59 5.88 -9.64 -1.17 0
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147614 53787270 1 NO2C24H35 AB2C24D35 -88.06 11.38 -7.48 -1.02 0
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147615 53787271 1 SN4O5C14H20 AB4C5D14E20 -143.8 6.92 -8.72 -1.27 0
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147616 53787272 1 NO3C16H17 AB3C16D17 -74.34 3.3 -8.8 -0.51 0
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147617 53787273 1 ClN2O2C19H25 AB2C2D19E25 -28.69 2.86 -8.97 -0.09 0
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147618 53787274 1 C2S2N3H5 A2B2C3D5 71.55 1.38 -9.08 -1.43 1
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147619 53787275 1 PO4C14H20 AB4C14D20 -171.86 2.51 0.0 0.0 0
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147620 53787276 1 BrN4H15C17 AB4C15D17 118.39 4.94 -8.44 -0.68 0
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147621 53787277 1 OCl2H20C22 AB2C20D22 -17.63 3.46 -8.66 -0.24 0
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147622 53787278 1 O2N4F6C23H24 A2B4C6D23E24 -285.78 6.96 -9.23 -1.12 0
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147623 53787279 1 O2N4F6C23H24 A2B4C6D23E24 -325.93 5.32 -9.3 -1.33 0
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147624 53787280 1 N3O6C29H43 A3B6C29D43 -257.8 3.09 -8.31 -0.19 0
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147625 53787281 1 ON3H9C10 AB3C9D10 25.91 2.33 -9.58 -1.2 0
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147626 53787282 1 C27H46 A27B46 -66.43 0.1 -9.4 1.45 0
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147627 53787283 1 N2O3C19H24 A2B3C19D24 -37.13 2.36 -8.6 0.05 0
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147628 53787284 1 SO3N6C15H24 AB3C6D15E24 -3.46 5.38 -8.56 -0.74 0
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147629 53787285 1 O2N4C19H20 A2B4C19D20 -20.74 5.57 -9.14 -0.84 0
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147630 53787286 1 ClSN2C10H13 ABC2D10E13 22.46 7.69 -8.62 -0.61 0
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147631 53787287 1 NO4C22H31 AB4C22D31 -13.18 8.14 -5.61 -3.54 0
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147632 53787288 1 SC12O12H22 AB12C12D22 -541.13 3.17 -10.17 -1.17 0
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147633 53787289 1 SC12O12H22 AB12C12D22 -535.9 5.83 -9.9 -0.9 0
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147634 53787290 1 NOH7C9 ABC7D9 24.82 3.04 -9.29 -0.58 0
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147635 53787291 1 O5C23H34 A5B23C34 -205.95 1.52 -10.08 0.23 0
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147636 53787292 1 PC5O5H9 AB5C5D9 -257.87 4.68 -10.86 -0.92 0
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147637 53787293 1 PN2O5C15H21 AB2C5D15E21 -261.1 7.39 -9.54 0.05 0
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147638 53787294 1 SN5O6C27H39 AB5C6D27E39 -222.08 4.42 -8.85 -1.03 0
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147639 53787295 1 SN2O3C18H20 AB2C3D18E20 -60.22 2.53 -8.07 -0.35 0
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147640 53787296 2 OC6H10 AB6C10 -88.42 2.03 -9.72 -0.19 0
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147641 53787298 1 BrFSO2H16C22 ABCD2E16F22 -61.84 3.48 -8.3 -1.01 0
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147642 53787299 1 ClNSO3C8H10 ABCD3E8F10 -103.75 5.71 -9.38 -0.83 0
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147643 53787300 2 O2C3H4 A2B3C4 -115.06 1.44 -9.2 -0.22 0
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147644 53787301 1 ClSN4O5H13C15 ABC4D5E13F15 -107.38 4.74 -9.83 -1.42 0
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147645 53787302 1 BrSN2O5H21C29 ABC2D5E21F29 -69.49 6.2 -9.23 -1.73 0
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147646 53787303 1 NSO8C26H45 ABC8D26E45 -292.13 7.02 -9.17 -0.88 0
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147647 53787304 4 SiC6H10 AB6C10 -65.4 1.35 -8.29 -0.02 0
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147648 53787305 1 C21H22 A21B22 30.92 1.17 -8.75 -0.35 0
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147649 53787306 1 O2N3C8H13 A2B3C8D13 -70.99 4.12 -9.33 0.35 0
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147650 53787307 2 FNO2C12H12 ABC2D12E12 -181.38 2.94 -8.66 -0.8 0
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147651 53787308 1 NO3C12H13 AB3C12D13 -84.13 0.4 -8.27 -0.3 0
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147652 53787309 1 NSO7C14H15 ABC7D14E15 -264.03 4.51 -9.43 -1.7 0
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147653 53787310 1 SN4O7C33H56 AB4C7D33E56 -300.07 5.01 -8.54 -0.51 0
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147654 53787311 1 SN4O7C33H56 AB4C7D33E56 -293.34 2.34 -8.52 -0.5 0
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147655 53787312 1 OF5H15C17 AB5C15D17 -282.8 6.37 -9.84 -0.6 0
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147656 53787313 1 NOC9H17 ABC9D17 -62.6 3.6 -9.55 0.26 0
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147657 53787314 1 N2O7C37H70 A2B7C37D70 -372.82 4.04 -8.59 -0.31 0
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147658 53787315 2 NH16C17 AB16C17 74.18 0.76 -8.01 0.37 0
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147659 53787316 1 FNSO4C20H24 ABCD4E20F24 -188.73 4.74 -8.91 -0.34 0
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147660 53787317 1 FOH9C14 ABC9D14 8.54 4.26 -9.06 -1.17 0
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147661 53787318 1 SCl2N2H6C9 AB2C2D6E9 55.01 2.64 -9.3 -1.37 0
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147662 53787319 1 N5O6C12H15 A5B6C12D15 -32.98 6.32 -9.86 -1.77 0
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147663 53787320 2 C2H2O3 A2B2C3 -91.32 2.49 -11.03 -1.91 0
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147664 53787321 1 OC18H18 AB18C18 36.58 1.34 -9.0 -0.14 0
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147665 53787322 1 ClOF3N4H14C16 ABC3D4E14F16 -140.02 6.73 -8.86 -1.39 0
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147666 53787323 1 S2N5O7C15H15 A2B5C7D15E15 -175.91 8.33 -9.34 -1.12 1
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147667 53787324 1 ON2C13H15 AB2C13D15 -15.54 5.69 0.0 0.0 0
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147668 53787325 1 BNC30H34 ABC30D34 26.92 1.84 -8.2 -0.47 0
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147669 53787326 1 O2N3C13H19 A2B3C13D19 -67.35 4.0 -8.07 -0.03 0
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147670 53787327 1 ClSN4O6H15C17 ABC4D6E15F17 -106.56 7.44 -9.43 -1.91 0
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147671 53787328 1 ClN2O7C12H23 AB2C7D12E23 -330.91 4.65 -10.06 0.1 0
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147672 53787329 1 ClN2O7C12H23 AB2C7D12E23 -325.53 4.62 -9.85 0.4 0