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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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34349 7890873 1 FN3O5H12C15 AB3C5D12E15 -128.82 12.22 -9.33 -1.39 0
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34350 7890877 1 SN2O5C19H26 AB2C5D19E26 -208.82 6.03 -8.93 -0.39 0
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34351 7890879 1 N2O5H16C21 A2B5C16D21 -74.23 4.47 -9.0 -1.13 0
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34352 7890887 2 ClNO2H6C9 ABC2D6E9 -112.02 2.19 -8.93 -1.23 0
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34353 7890895 1 N3O5H19C20 A3B5C19D20 -119.74 4.73 -8.66 -0.54 0
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34354 7890897 2 NO2H7C10 AB2C7D10 -50.03 3.15 -9.05 -1.14 0
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34355 7890900 1 NO5H19C21 AB5C19D21 -152.57 4.75 -9.02 -1.26 0
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34356 7890909 1 NS2O5C18H21 AB2C5D18E21 -191.61 1.56 -8.86 -0.79 0
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34357 7890910 1 NO4H21C22 AB4C21D22 -122.24 3.68 -9.14 -1.19 0
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34358 7890911 1 SN2O4C16H16 AB2C4D16E16 -120.89 3.12 -9.33 -0.41 0
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34359 7890914 1 NO3H13C19 AB3C13D19 -38.47 3.44 -9.05 -1.06 0
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34360 7890919 1 BrSN2O4H13C15 ABC2D4E13F15 -93.56 2.81 -9.37 -0.83 0
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34361 7890923 1 NSO6H17C19 ABC6D17E19 -198.58 5.77 -9.22 -1.14 0
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34362 7890924 1 SN2O4H16C21 AB2C4D16E21 -82.1 3.86 -8.66 -1.32 0
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34363 7890925 1 SN2O4H18C22 AB2C4D18E22 -96.43 3.6 -8.71 -1.32 0
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34364 7890932 1 N2O5C19H20 A2B5C19D20 -178.71 1.91 -8.95 -0.98 0
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34365 7890938 1 BrNSO3H14C15 ABCD3E14F15 -85.75 5.16 -8.93 -0.67 0
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34366 7890950 1 NS2O3H21C22 AB2C3D21E22 -69.28 3.97 -8.22 -0.56 0
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34367 7890968 1 NO4H19C20 AB4C19D20 -121.46 6.02 -8.68 -0.67 0
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34368 7890971 2 NSO3C8H8 ABC3D8E8 -193.98 8.47 -9.39 -1.56 0
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34369 7890973 1 NO4H19C21 AB4C19D21 -119.56 3.66 -9.05 -1.08 0
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34370 7890982 1 Cl2N2O4H14C19 A2B2C4D14E19 -117.23 2.5 -8.99 -1.18 0
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34371 7890984 1 NSO5C22H25 ABC5D22E25 -174.91 6.41 -9.28 -0.96 0
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34372 7890990 1 NO5H19C21 AB5C19D21 -154.51 5.56 -8.6 -1.11 0
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34373 7890996 1 NO4C19H21 AB4C19D21 -158.9 5.3 -9.08 -1.08 0
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34374 7890999 1 NO4C18H19 AB4C18D19 -145.17 4.36 -9.04 -1.05 0
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34375 7891001 1 NO4C18H19 AB4C18D19 -143.85 3.17 -8.82 -0.84 0
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34376 7891007 1 SN2O6H18C20 AB2C6D18E20 -192.66 8.67 -9.33 -1.36 0
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34377 7891015 1 SN2O5H16C20 AB2C5D16E20 -132.46 5.58 -8.8 -1.12 0
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34378 7891019 1 NO5H19C21 AB5C19D21 -157.64 2.84 -8.76 -1.18 0
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34379 7891020 1 NSO4C24H25 ABC4D24E25 -118.59 5.93 -8.75 -0.87 0
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34380 7891021 1 NS2O3C21H21 AB2C3D21E21 -55.54 5.15 -9.08 -0.97 0
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34381 7891022 1 NS2O5H19C20 AB2C5D19E20 -116.22 8.07 -8.78 -0.89 0
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34382 7891023 2 N2O3C10H11 A2B3C10D11 -155.19 6.16 -8.6 -1.43 0
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34383 7891024 1 NO4C17H17 AB4C17D17 -122.05 1.55 -8.93 -0.96 0
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34384 7891041 3 NO2C7H7 AB2C7D7 -221.74 5.44 -8.77 -0.76 0
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34385 7891042 1 N3O7C18H19 A3B7C18D19 -194.38 6.61 -9.2 -1.2 0
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34386 7891043 1 N3O4H15C22 A3B4C15D22 -55.16 3.43 -9.24 -1.27 0
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34387 7891046 1 NSO6C21H25 ABC6D21E25 -235.64 7.37 -8.95 -0.99 0
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34388 7891050 1 ClOS2N4C19H19 ABC2D4E19F19 38.05 5.81 -8.96 -1.1 0
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34389 7891052 1 N2O4H18C19 A2B4C18D19 -93.96 7.1 -9.27 -1.34 0
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34390 7891058 1 O5H16C20 A5B16C20 -139.23 3.34 -8.81 -0.82 0
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34391 7891059 1 ClOS2N4C19H19 ABC2D4E19F19 34.15 8.55 -8.57 -1.38 0
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34392 7891061 1 NO6C23H23 AB6C23D23 -197.7 2.38 -8.36 -1.14 0
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34393 7891062 1 N3O7H17C18 A3B7C17D18 -180.58 9.69 -9.06 -1.61 0
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34394 7891067 1 N3O7C19H19 A3B7C19D19 -186.25 7.97 -9.27 -1.58 0
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34395 7891068 1 FOS2N4C19H19 ABC2D4E19F19 -0.34 5.79 -8.83 -1.39 0
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34396 7891085 1 FN4O6H13C16 AB4C6D13E16 -174.86 4.99 -9.14 -1.44 0
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34397 7891098 1 OS2N3C22H23 AB2C3D22E23 45.88 3.81 -8.4 -1.0 0
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34398 7891108 1 NO4C23H25 AB4C23D25 -166.26 5.37 -9.15 -1.16 0
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34399 7891115 1 O2S2N3C15H19 A2B2C3D15E19 -29.33 2.56 -8.44 -1.02 0
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34400 7891116 1 NO4H19C21 AB4C19D21 -124.61 4.0 -9.03 -1.21 0
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34401 7891125 1 ClOS2N3H18C19 ABC2D3E18F19 49.78 5.42 -8.51 -1.17 0
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34402 7891133 1 N3O7H15C17 A3B7C15D17 -159.22 6.0 -8.43 -1.51 0
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34403 7891159 1 N4O6H16C17 A4B6C16D17 -139.01 9.75 -9.22 -1.68 0
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34404 7891161 1 S2N3O3H17C18 A2B3C3D17E18 -20.83 2.41 -8.43 -1.08 0
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34405 7891163 1 NO4H21C22 AB4C21D22 -125.93 5.9 -8.81 -1.25 0
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34406 7891191 1 OS2N3C21H23 AB2C3D21E23 43.7 4.36 -8.42 -1.01 0
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34407 7891204 1 NO4H19C21 AB4C19D21 -118.9 3.65 -9.16 -1.21 0
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34408 7891223 1 FOS2N4C19H19 ABC2D4E19F19 -0.8 6.62 -8.71 -1.28 0
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34409 7891225 1 OS2N4C20H28 AB2C4D20E28 -0.25 4.21 -8.39 -0.96 0
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34410 7891233 2 N2O3C9H9 A2B3C9D9 -130.42 5.44 -9.12 -1.55 0
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34411 7891234 1 OS2N4C21H26 AB2C4D21E26 27.71 4.81 -8.12 -0.7 0
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34412 7964547 1 O2N3C20H31 A2B3C20D31 -95.53 4.52 -8.59 -0.27 0
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34413 7964548 1 N3O4H15C17 A3B4C15D17 -24.1 5.28 -9.49 -1.46 1
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34414 7964549 1 O2N3C22H28 A2B3C22D28 -20.22 1.55 0.0 0.0 0
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34415 7964550 1 O2N3C22H27 A2B3C22D27 -43.09 2.53 -8.76 -0.2 1
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34416 7964551 1 O2N3C22H28 A2B3C22D28 -18.71 1.66 0.0 0.0 0
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34417 7966560 1 Cl2O2N3H17C20 A2B2C3D17E20 -20.16 2.77 -9.42 -1.4 0
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34418 7968631 1 SN2O4C18H20 AB2C4D18E20 -123.92 3.53 -8.85 -0.22 0
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34419 7969855 1 S2O3N5C17H21 A2B3C5D17E21 7.99 6.14 -8.41 -0.75 0
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34420 7969961 1 N2F3O3H15C20 A2B3C3D15E20 -199.22 2.61 -9.61 -1.59 0
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34421 7970003 1 FSN2O2C17H23 ABC2D2E17F23 -119.8 4.27 -9.05 -0.82 0
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34422 7971514 1 N3O6C20H25 A3B6C20D25 -241.59 8.73 -10.2 -1.63 1
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34423 7971664 1 BrNOC11H17 ABCD11E17 -10.89 6.65 0.0 0.0 0
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34424 7972459 1 FSN2O4C14H17 ABC2D4E14F17 -209.94 2.25 -9.01 -0.61 1
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34425 7972817 1 SN3O3C22H30 AB3C3D22E30 -82.05 2.72 0.0 0.0 0
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34426 7973067 1 SN2O5C16H16 AB2C5D16E16 -99.46 6.85 -9.47 -1.62 0
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34427 7975211 1 ClSN2O5C18H19 ABC2D5E18F19 -165.96 3.6 -9.46 -1.59 0
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34428 7975373 1 SN3O6C16H23 AB3C6D16E23 -253.94 6.88 -10.05 -1.36 0
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34429 7975554 1 FSO2N3C20H20 ABC2D3E20F20 -4.98 3.11 -8.22 -0.4 0
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34431 7976210 1 FSN2O5C14H19 ABC2D5E14F19 -241.24 4.66 -9.93 -1.44 0
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34432 7977315 1 BrO2N3H32C35 AB2C3D32E35 28.85 6.56 -8.5 -1.52 0
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34433 7977359 1 NO5C24H27 AB5C24D27 -176.24 8.75 -8.38 -1.06 0
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34434 7978462 1 N3O3H17C18 A3B3C17D18 -27.84 4.96 -9.69 -0.79 0
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34435 7978463 1 ClN3O5C20H26 AB3C5D20E26 -170.06 9.61 -8.6 -0.6 0
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34436 7978464 2 N2O2H8C9 A2B2C8D9 -58.13 6.5 -9.65 -0.82 0
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34437 7978466 1 N3O5C21H21 A3B5C21D21 -108.9 5.44 -9.33 -0.75 0
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34438 7978467 1 ClF2N3O4C18H20 AB2C3D4E18F20 -236.12 4.08 -9.17 -0.54 0
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34439 7978468 1 ClN3O3C19H24 AB3C3D19E24 -107.99 4.55 -8.44 -0.62 0
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34440 7978469 1 O3N4H12C17 A3B4C12D17 18.86 2.91 -9.82 -1.44 0
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34441 7978470 1 ClN3O3C19H24 AB3C3D19E24 -108.34 4.19 -8.47 -0.62 0
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34442 7978471 1 N3O3C16H19 A3B3C16D19 -65.33 5.47 -9.69 -0.76 0
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34443 7978473 1 Cl2N3O3H13C17 A2B3C3D13E17 -38.44 4.2 -9.75 -0.86 0
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34444 7978474 1 ClO3N4C18H19 AB3C4D18E19 -31.98 2.41 -9.59 -0.91 0
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34445 7978475 1 N3O3H17C18 A3B3C17D18 -34.6 5.52 -9.46 -0.77 0
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34446 7978476 1 N3O3H17C22 A3B3C17D22 8.5 6.0 -9.6 -0.87 0
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34447 7978477 1 Cl2N3O3C19H23 A2B3C3D19E23 -118.46 5.71 -9.01 -0.63 0
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34448 7978478 1 ClN3O3H14C17 AB3C3D14E17 -32.64 4.13 -9.67 -0.82 0
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34449 7978479 1 Cl2O3N4C18H18 A2B3C4D18E18 -69.18 10.57 -9.49 -1.0 0