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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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178261 76306414 2 O2N3C13H19 A2B3C13D19 -154.51 6.38 -8.42 0.14 0
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178262 76306415 1 SN4O4C25H32 AB4C4D25E32 -130.38 5.33 -8.56 -0.54 1
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178263 76306416 1 O4N5C20H32 A4B5C20D32 -180.64 8.06 0.0 0.0 0
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178264 76306651 1 ON5C21H29 AB5C21D29 48.57 4.34 -8.64 0.46 1
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178265 76306668 1 N4O4H17C18 A4B4C17D18 41.07 3.73 0.0 0.0 0
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178266 76306669 1 O5N6C23H38 A5B6C23D38 -218.47 4.51 -9.5 -0.2 0
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178267 76307120 1 BrN2S2O3H15C16 AB2C2D3E15F16 -41.14 8.11 -9.15 -1.62 0
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178268 76307405 1 S2N3O7C19H27 A2B3C7D19E27 -273.76 7.86 -9.28 -1.0 0
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178269 76307406 1 FNSO6H18C19 ABCD6E18F19 -242.93 1.93 -9.49 -1.18 0
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178270 76307407 1 S2N3O6C20H21 A2B3C6D20E21 -160.59 3.72 -8.98 -0.89 0
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178271 76307505 1 N2O5C29H34 A2B5C29D34 -184.59 3.97 -9.18 -0.34 0
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178272 76307720 1 SN3O6C24H29 AB3C6D24E29 -228.41 2.9 -8.98 -0.92 0
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178273 76307721 1 ClNS2O7C17H18 ABC2D7E17F18 -270.47 5.2 -9.57 -1.27 0
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178274 76307722 1 NSCl3O6H16C17 ABC3D6E16F17 -238.58 3.71 -9.2 -0.96 0
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178275 76307723 1 NSO7H19C24 ABC7D19E24 -205.68 4.16 -9.57 -1.75 0
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178276 76307724 1 NSO6C17H19 ABC6D17E19 -218.92 4.8 -9.3 -0.78 0
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178277 76307725 1 SN2O5H18C19 AB2C5D18E19 -147.75 3.7 -9.48 -1.07 1
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178278 76307726 1 N3O7C18H22 A3B7C18D22 -248.32 6.63 0.0 0.0 1
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178279 76307727 1 O6N8C21H25 A6B8C21D25 -136.6 4.58 0.0 0.0 0
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178280 76307728 1 O5N9C21H25 A5B9C21D25 -73.36 7.41 -9.68 -1.28 0
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178281 76307729 1 N4O8C23H34 A4B8C23D34 -333.39 5.97 -8.23 -0.05 0
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178282 76307730 1 FSN3O3C18H18 ABC3D3E18F18 -81.89 6.96 -9.7 -0.94 0
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178283 76308474 1 N5O5C24H29 A5B5C24D29 -105.1 6.09 -8.11 -0.45 0
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178284 76308475 1 F3N3O4H16C21 A3B3C4D16E21 -215.27 7.3 -9.38 -1.62 0
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178285 76308476 1 SN2F3O7H23C30 AB2C3D7E23F30 -334.13 8.33 -8.68 -1.43 0
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178286 76308477 1 SN2F6O7H22C31 AB2C6D7E22F31 -496.47 7.35 -9.25 -1.65 0
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178287 76308478 1 N2S2F3O7H23C30 A2B2C3D7E23F30 -345.75 11.27 -9.01 -1.45 0
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178288 76308485 1 Cl2N3O4S4H9C14 A2B3C4D4E9F14 -52.46 10.99 -9.58 -2.18 0
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178289 76309215 1 F3N3O4H22C24 A3B3C4D22E24 -224.33 7.01 -8.97 -0.81 0
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178290 76309519 2 NOSC7H8 ABCD7E8 -10.34 5.52 -8.94 -1.16 0
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178291 76309520 1 SN2O4C15H18 AB2C4D15E18 -110.34 3.6 -9.25 -1.31 0
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178292 76309521 1 N2S2O3C17H22 A2B2C3D17E22 -75.55 6.84 -9.16 -1.3 0
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178293 76309522 1 SN2O4C17H22 AB2C4D17E22 -130.24 4.37 -9.41 -1.13 0
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178294 76309523 2 NOSC6H6 ABCD6E6 1.33 5.78 -8.96 -1.16 0
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178295 76309524 1 SN2O3C15H18 AB2C3D15E18 -72.6 4.92 -9.05 -1.06 0
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178296 76309595 1 FSN3C22H22 ABC3D22E22 25.29 4.8 -8.19 -0.89 0
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178297 76310009 1 N2O2H20C25 A2B2C20D25 7.7 1.87 -8.52 -0.55 0
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178298 76310010 1 ClN2S2O3H11C20 AB2C2D3E11F20 13.83 8.26 -9.39 -2.29 0
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178299 76310011 1 NC29H29 AB29C29 89.09 1.18 -9.14 0.24 0
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178300 76310012 1 ClN2S2O3H9C15 AB2C2D3E9F15 -15.15 4.44 -9.36 -2.18 0
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178301 76310013 1 ON2S2H10C14 AB2C2D10E14 61.97 4.48 -9.36 -1.89 0
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178302 76310014 1 ClF4N5O6H26C31 AB4C5D6E26F31 -343.21 21.19 -9.17 -1.62 0
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178303 76310015 1 F5N5O6H24C30 A5B5C6D24E30 -379.64 3.91 -8.7 -1.01 0
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178304 76310016 1 F5N6O6H25C30 A5B6C6D25E30 -359.42 13.84 -8.68 -1.26 0
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178305 76310017 1 BrN2C20H45 AB2C20D45 -18.24 61.56 -4.86 -2.58 1
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178306 76310018 1 N2C20H45 A2B20C45 -40.71 1.48 0.0 0.0 0
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178307 76310019 2 BrNC19H41 ABC19D41 17.68 149.28 -5.66 -5.15 2
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178308 76310020 2 NC19H41 AB19C41 -147.08 0.71 -8.53 1.85 0
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178309 76310163 1 ON2S2H12C15 AB2C2D12E15 22.79 5.68 -8.47 -1.11 0
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178310 76310164 1 Cl2O3N4C31H40 A2B3C4D31E40 -136.07 9.8 -9.0 -0.19 0