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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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36350 8002066 1 OSN3H13C16 ABC3D13E16 41.3 3.88 -8.86 -1.13 0
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36351 8002075 1 OSN4C22H26 ABC4D22E26 30.16 1.89 -8.65 -0.77 0
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36352 8002112 1 BrSO2N3H12C14 ABC2D3E12F14 1.06 4.53 -8.85 -1.15 0
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36353 8002113 1 SN4O4C16H16 AB4C4D16E16 -85.23 10.32 -8.42 -0.83 2
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36354 8002129 1 ClSO3N4C17H23 ABC3D4E17F23 2.08 2.47 -6.97 -0.35 0
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36355 8002193 1 ClO2N4C23H27 AB2C4D23E27 -13.87 5.06 -9.07 -0.19 0
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36356 8002197 1 SO2N4C21H22 AB2C4D21E22 6.53 6.51 -9.14 -0.68 0
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36357 8002237 1 SN2O3C21H30 AB2C3D21E30 -124.79 9.27 -9.14 0.27 0
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36358 8002288 1 ClFNO4H15C18 ABCD4E15F18 -157.06 5.27 -8.44 -1.34 0
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36359 8002301 1 SN3O3C21H23 AB3C3D21E23 -13.05 9.29 -8.6 -0.68 0
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36360 8002302 1 OS2N4H20C21 AB2C4D20E21 44.2 4.04 -8.34 -1.07 0
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36361 8002365 1 NO3C21H23 AB3C21D23 -71.38 1.84 -8.47 -0.52 0
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36362 8002366 3 NOC7H7 ABC7D7 -54.68 2.63 -8.03 -1.6 0
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36363 8002393 1 SO2N4H20C22 AB2C4D20E22 75.09 2.86 -8.23 -0.78 0
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36364 8002395 1 ClS2O3N4C15H17 AB2C3D4E15F17 -46.87 9.73 -9.32 -0.97 0
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36365 8002501 1 SN3O3C20H31 AB3C3D20E31 -132.47 3.74 -8.86 -0.39 0
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36366 8002521 1 NSO6C19H25 ABC6D19E25 -239.0 4.15 -9.38 -1.03 0
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36367 8002527 2 NO3H9C11 AB3C9D11 -94.15 8.69 -9.02 -1.61 0
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36368 8002802 2 FO2H7C9 AB2C7D9 -181.12 5.06 -9.13 -1.07 0
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36369 8002823 1 ClN4H11C16 AB4C11D16 105.89 4.83 -8.82 -1.07 0
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36370 8002829 1 N2O3H12C16 A2B3C12D16 24.55 7.63 -8.58 -1.25 0
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36371 8002968 1 N2F3O3C16H23 A2B3C3D16E23 -290.48 5.41 -9.23 -0.48 0
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36372 8004335 1 ClNO2C13H18 ABC2D13E18 -65.16 5.9 -8.98 -0.26 0
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36373 8004339 1 NO3C14H21 AB3C14D21 -91.67 1.72 -8.31 0.19 0
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36374 8004428 2 NO2C10H10 AB2C10D10 -136.75 3.3 -9.29 -0.77 0
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36375 8004466 1 SN3O3C20H23 AB3C3D20E23 -77.11 3.8 -8.72 -0.69 0
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36376 8004491 1 ClN3O3C16H20 AB3C3D16E20 -129.07 3.15 -9.69 -0.82 0
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36377 8004581 1 BrON2C17H19 ABC2D17E19 3.09 1.32 -9.91 -0.97 1
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36378 8004606 1 N3O3C21H28 A3B3C21D28 -85.46 2.68 0.0 0.0 0
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36379 8004629 1 ON2C13H20 AB2C13D20 -7.37 1.23 -8.29 0.0 0
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36380 8004764 1 SN2O4C19H26 AB2C4D19E26 -154.02 9.7 -9.71 -0.31 0
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36381 8004824 1 ClN2O3H17C19 AB2C3D17E19 -43.91 4.91 -8.98 -0.5 0
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36382 8004839 1 SO2N4C11H14 AB2C4D11E14 -65.26 7.39 -8.52 -0.46 1
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36383 8004842 1 O2N7C22H22 A2B7C22D22 44.95 7.96 0.0 0.0 0
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36384 8004859 1 OF2N2S2H12C16 AB2C2D2E12F16 -61.6 3.75 -9.04 -1.04 0
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36385 8004860 1 ClON2S2H15C17 ABC2D2E15F17 17.41 6.91 -9.05 -1.06 0
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36386 8004871 1 N2O2S2H16C17 A2B2C2D16E17 -7.2 3.5 -8.5 -0.71 0
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36387 8004878 1 N2S2O3H18C19 A2B2C3D18E19 -65.58 4.44 -8.91 -0.91 0
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36388 8004879 1 FON2S2H13C16 ABC2D2E13F16 -17.45 4.18 -8.91 -1.02 0
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36389 8004881 1 ON2S2C16H20 AB2C2D16E20 -21.74 5.84 -8.95 -0.98 0
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36390 8005113 1 ClFN2O4H18C21 ABC2D4E18F21 -116.75 3.18 -9.48 -0.75 0
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36391 8005150 1 SN3O3H17C21 AB3C3D17E21 10.65 4.31 -8.7 -1.36 0
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36392 8005177 1 SF3N3H10C17 AB3C3D10E17 -36.9 5.72 -9.38 -1.54 0
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36393 8005181 1 OSN6H14C18 ABC6D14E18 104.1 1.76 -8.85 -0.89 0
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36394 8005208 1 N3O3C14H27 A3B3C14D27 -168.49 1.92 -9.18 0.68 0
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36395 8005363 1 SN2O2F3C15H15 AB2C2D3E15F15 -187.44 4.68 -8.8 -1.17 0
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36396 8005364 1 SN2O2F3C15H15 AB2C2D3E15F15 -188.92 5.16 -8.72 -1.25 0
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36397 8005544 2 NO3C11H11 AB3C11D11 -197.27 5.67 -8.23 -0.99 0
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36398 8005546 1 NSO3C15H15 ABC3D15E15 -53.98 4.94 -9.4 -0.8 0
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36399 8005548 1 N2O5H18C22 A2B5C18D22 -145.97 6.17 -9.36 -1.12 0
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36400 8005637 1 ClNO2H14C18 ABC2D14E18 -6.52 2.03 -8.87 -0.59 0
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36401 8005643 1 SN3O5C19H21 AB3C5D19E21 -126.73 7.88 -9.15 -0.68 -1
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36402 8005740 1 OSN2H11C15 ABC2D11E15 64.48 10.22 0.0 0.0 0
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36403 8005746 1 S2N3O3H17C19 A2B3C3D17E19 -9.21 3.78 -9.23 -0.82 0
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36404 8005790 1 SO2N3C21H25 AB2C3D21E25 -33.87 4.66 -8.43 -0.32 0
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36405 8005843 1 ON2C21H26 AB2C21D26 -15.03 3.35 -9.47 0.02 -1
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36406 8005855 1 N2O3C14H21 A2B3C14D21 -129.83 2.91 0.0 0.0 0
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36407 8005934 1 N3O5C19H19 A3B5C19D19 -142.47 3.86 -8.89 -0.4 0
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36408 8006048 2 OSN2H9C10 ABC2D9E10 77.68 5.09 -9.02 -1.16 0
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36409 8006075 1 BrOSN4H15C17 ABCD4E15F17 66.07 5.52 -8.94 -1.0 0
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36410 8006083 1 SO3N5C18H19 AB3C5D18E19 -70.22 1.45 -8.57 -0.87 0
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36411 8006094 1 O4N5H19C22 A4B5C19D22 -28.97 3.6 -8.54 -1.17 0
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36412 8006164 1 ClFSN3O3H11C17 ABCD3E3F11G17 -10.82 4.62 -9.45 -2.18 0
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36413 8006206 1 ClSN3O4H16C17 ABC3D4E16F17 -62.02 7.3 -9.52 -1.13 0
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36414 8006208 1 ClOS2N4C17H19 ABC2D4E17F19 28.72 2.08 -8.92 -1.02 0
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36415 8006213 1 N2S2O5C18H22 A2B2C5D18E22 -163.18 3.42 -8.93 -0.66 0
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36416 8006237 1 N3O4H21C22 A3B4C21D22 -107.82 2.32 -8.56 -1.38 0
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36417 8006240 1 BrN2O4C16H17 AB2C4D16E17 -119.42 4.57 -9.66 -1.1 0
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36418 8006293 1 O2N3C20H21 A2B3C20D21 31.21 4.88 -8.75 -0.37 0
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36419 8006303 1 OSF3N5H12C17 ABC3D5E12F17 -40.35 5.71 -9.7 -1.44 0
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36420 8006309 1 FSO2N3H20C21 ABC2D3E20F21 -52.83 4.0 -9.02 -0.98 0
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36421 8006319 1 N2O3H18C19 A2B3C18D19 -66.95 2.29 -9.46 -1.32 0
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36422 8006327 1 SO2N3C13H15 AB2C3D13E15 -35.55 9.88 -9.43 -0.9 0
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36423 8006343 2 ON2C10H13 AB2C10D13 -65.21 4.67 -8.83 -0.13 0
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36424 8006366 1 ClSO2N3H16C19 ABC2D3E16F19 14.49 7.12 -8.91 -1.22 0
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36425 8006370 1 ClSO2N6C16H19 ABC2D6E16F19 -10.64 5.39 -9.6 -1.29 0
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36426 8006377 1 ClN2O2H13C19 AB2C2D13E19 4.38 2.49 -8.94 -1.23 0
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36427 8006430 1 OF3N6H15C17 AB3C6D15E17 -114.82 4.13 -9.02 -0.81 0
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36428 8006431 1 OSN7C18H21 ABC7D18E21 41.95 8.51 -9.18 -0.84 0
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36429 8006547 1 O2N5H11C13 A2B5C11D13 40.97 2.52 -9.16 -1.6 0
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36430 8006613 1 SN3O5C19H23 AB3C5D19E23 -165.96 4.92 -9.38 -1.41 0
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36431 8006678 1 ClNO2C15H18 ABC2D15E18 -102.78 5.11 -9.38 -0.17 0
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36432 8006719 1 FO2N3H20C21 AB2C3D20E21 -56.05 1.84 -8.86 -0.99 0
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36433 8006765 1 ON2C14H16 AB2C14D16 19.68 1.88 -8.62 -0.15 0
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36434 8006814 1 NO3C19H25 AB3C19D25 -108.83 4.68 -8.22 -0.16 -1
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36435 8006870 1 N3O7H18C19 A3B7C18D19 -155.83 11.05 0.0 0.0 0
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36436 8006927 1 O2N5C16H27 A2B5C16D27 -91.75 6.65 -8.97 -0.36 0
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36437 8006950 1 SO2N3C15H19 AB2C3D15E19 12.01 7.0 -9.32 -1.44 0
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36438 8006954 1 ClOSN2H15C16 ABCD2E15F16 1.01 1.45 -9.26 -0.66 0
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36439 8006958 2 N2C11H13 A2B11C13 83.25 5.37 -8.2 0.06 0
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36440 8006960 1 ON5C23H27 AB5C23D27 41.54 9.92 -8.14 0.23 0
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36441 8006962 1 SO2N3C17H17 AB2C3D17E17 53.83 6.21 -9.4 -1.45 0
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36442 8006964 1 ClNSO3H16C18 ABCD3E16F18 -87.1 3.07 -9.33 -0.98 0
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36443 8006969 1 N2O2F3H13C16 A2B2C3D13E16 -198.92 2.47 -9.2 -0.89 0
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36444 8006971 1 ClNO3C19H20 ABC3D19E20 -104.89 4.75 -9.23 -0.86 0
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36445 8006974 1 FSN2O4C20H23 ABC2D4E20F23 -182.84 9.96 -9.14 -0.92 0
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36446 8006976 1 ClS2O3H17C18 AB2C3D17E18 -78.31 3.29 -8.96 -0.54 0
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36447 8006978 1 ON2S3H18C19 AB2C3D18E19 29.81 5.21 -8.38 -0.58 0
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36448 8006980 1 Cl2N2O4H16C19 A2B2C4D16E19 -126.58 1.75 -9.16 -0.61 0
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36450 8006984 1 OCl2N2H14C16 AB2C2D14E16 -8.04 4.95 -9.56 -1.2 0