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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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309294 126542779 1 FNH10C13 ABC10D13 -2.01 3.52 -9.03 -0.62 0
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309295 126542806 1 NO2H21C29 AB2C21D29 14.74 3.34 -9.19 -1.12 0
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309296 126542908 1 BrN2O2C14H23 AB2C2D14E23 -113.15 3.2 -9.1 -0.24 0
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309297 126542985 1 SO6N8C46H52 AB6C8D46E52 -170.32 8.42 -8.55 -0.84 0
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309298 126543220 2 O3N4C21H25 A3B4C21D25 -143.4 1.74 -8.86 -0.82 0
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309299 126543361 2 PN3O3H14C15 AB3C3D14E15 87.69 14.37 -7.66 -1.7 0
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309300 126543481 1 N2C9H20 A2B9C20 -11.88 1.97 -9.47 1.25 0
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309301 126543631 2 N2C9H16 A2B9C16 18.88 7.3 -8.51 0.98 0
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309302 126543655 1 N3H35C48 A3B35C48 203.94 1.04 -8.1 -0.75 0
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309303 126543752 1 N3H37C52 A3B37C52 277.17 0.4 -8.94 -1.06 0
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309304 126543839 1 SN3H33C44 AB3C33D44 191.42 0.98 -8.47 -1.06 0
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309305 126543911 1 N3H37C48 A3B37C48 205.51 1.02 -8.42 -1.14 0
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309306 126543975 1 NOC17H29 ABC17D29 -67.48 1.73 -8.69 0.47 0
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309307 126543977 1 NC12H23 AB12C23 -35.61 1.62 -8.26 1.58 0
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309308 126544279 1 NO3C10H17 AB3C10D17 -158.95 3.0 -9.76 0.29 0
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309309 126544304 1 O2F3N3H16C23 A2B3C3D16E23 -94.59 4.07 -9.24 -1.6 0
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309310 126544306 1 FN4O4C23H27 AB4C4D23E27 -157.9 2.55 -9.84 -0.92 0
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309311 126544329 1 SF3N4O4H19C21 AB3C4D4E19F21 -186.56 4.04 -9.32 -1.74 0
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309312 126544414 1 ON3C21H21 AB3C21D21 37.92 4.0 -9.19 -0.64 0
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309313 126544415 1 O3F4N4H18C22 A3B4C4D18E22 -195.15 2.18 -9.89 -1.92 0
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309314 126544466 1 F3O3N4C25H25 A3B3C4D25E25 -181.33 3.14 -9.23 -1.81 0
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309315 126544473 1 F3O3N4H17C22 A3B3C4D17E22 -150.31 3.32 -9.28 -1.1 0
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309316 126544495 1 N4C7H16 A4B7C16 29.44 3.47 -8.95 0.54 0
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309317 126544557 1 N3C23H29 A3B23C29 70.38 3.09 -8.33 -0.28 0
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309318 126544559 1 FC27H35 AB27C35 -62.37 1.47 -8.85 0.06 0
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309319 126544602 1 PN3O9C21H24 AB3C9D21E24 -372.91 10.35 -9.59 -0.44 0
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309320 126544723 2 OF2N4C13H14 AB2C4D13E14 -105.51 10.19 -8.25 -0.9 0
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309321 126544756 1 NS2O4C14H17 AB2C4D14E17 -114.94 5.8 -8.42 -1.19 0
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309322 126544813 2 O2N6C11H26 A2B6C11D26 -96.38 4.85 -8.96 -0.43 0
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309323 126544827 1 N4O4C27H30 A4B4C27D30 -113.2 3.87 -9.11 -1.01 0
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309324 126544966 1 ON3C9H9 AB3C9D9 17.48 0.15 -9.44 -0.72 0
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309325 126544987 1 O2N3C24H25 A2B3C24D25 -4.72 3.55 -8.78 -0.86 0
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309326 126545076 1 SO4N5C26H27 AB4C5D26E27 -90.59 4.73 -9.14 -1.21 0
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309327 126545108 1 SO4N7H25C27 AB4C7D25E27 -37.0 4.63 -9.05 -1.63 0
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309328 126545112 1 FO3N5H20C26 AB3C5D20E26 -27.99 2.21 -9.31 -1.46 0
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309329 126545198 1 O2N5H25C31 A2B5C25D31 87.08 3.65 -8.91 -1.04 0
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309330 126545224 1 BrN3O3C18H22 AB3C3D18E22 -114.2 6.07 -9.3 -1.12 0
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309331 126545242 1 N5C50H79 A5B50C79 -24.95 7.43 -7.98 0.44 0
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309332 126545254 1 ON3C7H13 AB3C7D13 38.49 7.62 -8.34 -0.94 0
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309333 126545266 1 N2O5C38H44 A2B5C38D44 -136.03 7.31 -8.34 0.01 0
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309334 126545308 1 F2O4C19H22 A2B4C19D22 -231.98 4.81 -9.08 -0.4 0
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309335 126545310 1 F2O4C19H22 A2B4C19D22 -231.52 4.34 -9.12 -0.45 0
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309336 126545338 1 F2O3C17H18 A2B3C17D18 -197.86 4.92 -9.6 -0.49 0
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309337 126545375 1 FN4O5C22H23 AB4C5D22E23 -131.44 4.94 -9.64 -0.93 0
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309338 126545404 1 O4C21H26 A4B21C26 -130.24 5.41 -8.75 -0.43 0
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309339 126545412 1 F3O5C21H21 A3B5C21D21 -308.63 4.02 -9.44 -0.73 0
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309340 126545457 1 O2N7C21H35 A2B7C21D35 -94.35 3.08 -9.12 0.16 0
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309341 126545494 1 O5C24H30 A5B24C30 -175.04 5.11 -8.63 -0.19 0
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309342 126545519 1 F2O3C21H24 A2B3C21D24 -178.38 3.25 -9.05 -0.37 0
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309343 126545543 2 NOC9H15 ABC9D15 -116.06 7.01 -9.1 0.06 1
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309344 126545545 1 IN5C9H19 AB5C9D19 21.84 7.02 0.0 0.0 0
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309345 126545556 2 OF2N4H10C11 AB2C4D10E11 -75.22 6.77 -9.36 -1.18 0
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309346 126545561 1 N2O2F3C18H21 A2B2C3D18E21 -235.44 5.84 -9.14 -0.55 0
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309347 126545575 2 N4O4C25H31 A4B4C25D31 -242.36 2.37 -8.92 -0.55 0
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309348 126545586 1 ClN3O6C18H20 AB3C6D18E20 -198.09 4.65 -9.18 -1.06 0
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309350 126545597 1 SN2O7C23H28 AB2C7D23E28 -178.35 1.75 -8.75 -0.51 0
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309351 126545598 1 NSO5C19H23 ABC5D19E23 -118.99 7.52 -8.91 -0.62 0
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309352 126545599 1 SN2O6C14H18 AB2C6D14E18 -150.75 8.02 -9.03 -1.38 0
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309353 126545605 1 OCl4N5H17C19 AB4C5D17E19 32.1 6.34 -9.13 -1.33 0
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309354 126545610 1 SO4C12H16 AB4C12D16 -160.22 4.83 -9.86 -0.2 0
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309355 126545612 1 SN4O6C30H46 AB4C6D30E46 -186.24 4.67 -8.9 -0.64 0
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309356 126545623 1 SF2N3O5C19H21 AB2C3D5E19F21 -187.66 2.64 -9.59 -0.95 0
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309357 126545627 1 NSO3C17H21 ABC3D17E21 -92.18 4.37 -8.31 -0.78 0
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309358 126545637 1 OCl2N3H9C11 AB2C3D9E11 58.04 3.84 -8.85 -0.62 0
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309359 126545646 1 Cl2O5N8C34H36 A2B5C8D34E36 -102.76 10.0 -9.39 -1.22 0
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309360 126545650 1 Cl2O4N8C35H42 A2B4C8D35E42 -70.73 3.97 -8.22 -1.07 0
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309361 126545654 2 N2O3C16H20 A2B3C16D20 -209.21 5.22 -9.55 -0.44 0
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309362 126545656 2 N2O3C15H18 A2B3C15D18 -222.79 5.93 -9.49 -0.42 0
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309363 126545667 1 N4O5C29H36 A4B5C29D36 -170.11 3.28 -8.69 -0.24 0
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309364 126545676 2 ClON4C14H15 ABC4D14E15 32.13 4.83 -8.84 -1.34 0
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309365 126545681 1 FN3O4C23H30 AB3C4D23E30 -202.54 2.64 -9.25 -0.37 0
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309366 126545687 1 SN2O3C19H22 AB2C3D19E22 -19.14 2.68 -8.85 -0.6 0
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309369 126545720 1 ClC17H33 AB17C33 -85.69 2.4 -10.56 0.89 0
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309370 126545721 1 N3O7C24H25 A3B7C24D25 -216.88 16.08 -8.45 -1.76 0
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309372 126545752 1 N5C9H23 A5B9C23 30.99 1.42 -8.87 0.43 0