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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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13983 401309 2 N2O2C12H21 A2B2C12D21 -153.65 1.77 -8.7 0.14 0
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13984 401311 1 ClON4C30H33 ABC4D30E33 24.86 3.78 -8.79 -1.0 0
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13985 401313 1 ClN2O2C20H33 AB2C2D20E33 -135.86 6.87 -8.81 0.15 0
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13986 401317 1 ClON4C26H29 ABC4D26E29 31.13 5.29 -8.46 -0.76 0
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13987 401318 1 ON4C26H28 AB4C26D28 64.45 5.04 -8.5 -0.69 0
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13988 401322 1 S2O3C24H30 A2B3C24D30 -130.78 2.47 -8.45 -0.26 0
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13989 401339 1 SO2F3N4H17C24 AB2C3D4E17F24 -104.06 9.55 -9.43 -1.26 0
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13990 401340 1 O2S2N3H15C19 A2B2C3D15E19 29.38 8.84 -9.38 -1.01 0
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13991 401352 1 ClOSN3C29H30 ABCD3E29F30 37.01 2.79 -8.5 -0.46 0
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13992 401353 1 OSCl2N3H21C24 ABC2D3E21F24 45.32 4.1 -8.59 -0.83 0
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13993 401355 1 N3O3C25H25 A3B3C25D25 -32.9 5.39 -8.46 -0.37 0
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13994 401356 1 SN3O4C27H29 AB3C4D27E29 -47.47 6.55 -8.6 -0.56 0
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13995 401359 1 ClNSO2C24H24 ABCD2E24F24 -44.17 5.12 -8.79 -0.94 0
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13996 401362 1 NSO5C27H31 ABC5D27E31 -150.65 6.44 -8.39 -0.57 0
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13997 401367 1 SCl2O2N4H20C27 AB2C2D4E20F27 52.05 5.42 -9.18 -1.2 0
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13998 401375 1 SO2N4H26C35 AB2C4D26E35 105.06 6.72 -9.01 -1.13 0
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13999 401376 1 SO2N4H26C35 AB2C4D26E35 99.26 5.54 -8.98 -1.39 0
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14000 401379 2 NSO2H11C16 ABC2D11E16 5.07 5.08 -8.81 -1.44 0
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14001 401381 1 N3O4C17H23 A3B4C17D23 -133.31 2.62 -8.9 -0.18 0
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14002 401389 1 BrSN3O3C19H22 ABC3D3E19F22 -74.46 5.67 -8.49 -1.08 0
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14003 401420 1 NSO4H17C18 ABC4D17E18 -80.86 3.6 -9.22 -0.48 0
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14004 401452 1 ClN3O3H14C21 AB3C3D14E21 33.35 9.12 -9.61 -1.9 0
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14006 401455 1 NS2O3H13C15 AB2C3D13E15 17.26 3.18 -9.04 -1.14 0
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14007 401461 1 ClNO2S2H10C14 ABC2D2E10F14 50.32 6.8 -9.15 -1.3 0
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14008 401463 1 N2F3O3H13C17 A2B3C3D13E17 -185.24 4.41 -9.15 -1.59 0
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14009 401464 1 N2O3F6H12C18 A2B3C6D12E18 -346.27 5.5 -9.33 -1.94 0
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14010 401467 1 F2O2N3H15C18 A2B2C3D15E18 -101.38 5.28 -8.93 -1.35 0
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14011 401493 1 BrON3C13H16 ABC3D13E16 -9.82 6.89 -8.8 -0.24 0
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14012 401494 1 BrO2N3H12C14 AB2C3D12E14 -3.59 6.83 -8.87 -0.77 0
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14013 401499 1 BrON3H12C14 ABC3D12E14 41.31 5.01 -8.96 -0.82 0
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14014 401505 1 BrON3C17H24 ABC3D17E24 -27.94 7.24 -8.74 -0.19 0
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14015 401534 1 ClON2H13C15 ABC2D13E15 26.71 3.37 -9.22 -0.87 0
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14016 401540 1 O7C16H22 A7B16C22 -316.83 6.14 -10.18 -0.49 0
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14017 401550 1 N10H11O11C17 A10B11C11D17 108.31 11.68 0.0 0.0 1
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14018 401555 1 ClN3H14C17 AB3C14D17 103.99 1.69 -8.8 -1.21 0
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14019 401556 1 O2N3H17C19 A2B3C17D19 30.15 3.05 -8.84 -1.44 0
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14020 401567 1 NO2H13C15 AB2C13D15 -7.28 1.06 -8.84 -0.47 0
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14021 401576 1 ClSO3N5H6C10 ABC3D5E6F10 69.02 4.57 -9.78 -2.18 0
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14022 401580 1 ON2H12C14 AB2C12D14 36.55 4.05 -8.38 -0.63 0
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14023 401588 1 SN2O2H12C18 AB2C2D12E18 30.87 2.4 -8.79 -1.07 0
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14024 401604 1 N5O6H15C17 A5B6C15D17 -169.97 1.31 -9.88 -1.09 0
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14025 401605 1 BrN6O9H21C29 AB6C9D21E29 -37.34 4.93 -9.56 -1.95 0
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14026 401614 1 BrN2O4H21C22 AB2C4D21E22 -133.51 4.1 -9.35 -0.71 0
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14027 401639 1 SN2O4H20C22 AB2C4D20E22 -80.84 4.38 -9.25 -1.05 0
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14028 401685 1 N2O5C26H32 A2B5C26D32 -205.95 7.33 -9.47 0.16 0
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14029 401732 1 SiN3O3C27H51 AB3C3D27E51 -166.63 0.85 -8.67 0.16 0
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14030 401760 1 N2O4C13H20 A2B4C13D20 -102.99 3.68 -9.29 0.25 0
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14031 401786 1 NO5C24H31 AB5C24D31 -193.66 4.19 -8.7 0.15 0
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14032 401864 1 O2N5C35H45 A2B5C35D45 3.3 4.75 -8.46 -0.1 0
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14033 401916 2 FNOC14H16 ABCD14E16 -110.89 2.37 -8.8 -0.22 0
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14034 402010 1 N3O7C16H21 A3B7C16D21 -235.19 1.47 -10.47 -1.63 0
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14035 402020 1 ISO3N4H19C20 ABC3D4E19F20 -11.17 3.38 -9.1 -1.13 0
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14036 402021 1 ISN4O5H13C21 ABC4D5E13F21 58.66 0.56 -9.28 -2.52 0
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14037 402045 1 ISO2N4H19C24 ABC2D4E19F24 61.65 2.24 -9.21 -1.29 0
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14038 402048 1 ISO3N4H17C21 ABC3D4E17F21 -8.78 7.02 -8.98 -1.0 0
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14039 402059 1 ON3H15C20 AB3C15D20 77.45 5.6 -8.6 -0.8 0
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14040 402061 1 O2N5H15C16 A2B5C15D16 34.53 4.79 -8.78 -1.17 0
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14041 402065 1 O2N7H39C43 A2B7C39D43 117.32 5.66 -8.71 -0.72 0
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14042 402066 1 ClO2N7H36C41 AB2C7D36E41 97.96 8.45 -8.82 -0.77 0
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14043 402067 1 O2N7H35C41 A2B7C35D41 127.92 9.87 -8.64 -0.72 0
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14044 402069 1 O2Cl4N7H31C41 A2B4C7D31E41 98.3 5.47 -8.85 -1.18 0
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14045 402070 1 O2Cl5N7H36C43 A2B5C7D36E43 61.78 14.06 -8.93 -1.17 0
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14046 402266 1 I2N2O4H12C15 A2B2C4D12E15 -48.4 1.62 -8.76 -1.4 0
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14047 402426 1 O2Cl4N5H11C20 A2B4C5D11E20 35.56 5.2 -9.19 -1.6 0
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14048 402502 1 ClNO3H14C21 ABC3D14E21 -53.34 3.67 -8.55 -1.86 0
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14049 402513 2 ClNO2H6C8 ABC2D6E8 -120.13 10.0 -9.86 -2.01 0
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14050 402653 1 ON4H12C15 AB4C12D15 63.14 2.1 -9.22 -0.91 0
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14051 402685 1 NOSiC19H27 ABCD19E27 -65.76 3.54 -9.38 0.04 0
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14052 402825 1 ClSN2O2H11C13 ABC2D2E11F13 -15.96 3.53 -9.41 -0.96 0
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14053 402921 1 SN2O3C15H18 AB2C3D15E18 -91.41 3.65 -8.88 -0.64 0
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14054 402933 1 SN3O3C22H28 AB3C3D22E28 -88.61 2.68 0.0 0.0 1
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14055 402961 1 N3O3C19H19 A3B3C19D19 -18.47 6.86 -8.37 -0.81 0
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14056 403008 1 SN3C16H17 AB3C16D17 58.12 5.49 -8.44 -0.51 0
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14057 403018 1 Br2N3O3H17C22 A2B3C3D17E22 0.72 6.05 -8.38 -1.61 0
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14058 403019 1 BrN3O3H18C22 AB3C3D18E22 -4.75 4.28 -8.42 -1.24 0
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14059 403050 1 BrSO3N4C17H17 ABC3D4E17F17 -29.11 4.48 -8.89 -0.72 0
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14060 403058 1 ClN5H14C18 AB5C14D18 147.27 9.38 -8.85 -1.1 0
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14061 403132 1 NSO2Cl3H20C24 ABC2D3E20F24 -43.52 3.36 -9.07 -1.0 0
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14062 403145 1 NOC14H21 ABC14D21 -16.72 3.81 -9.34 0.64 0
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14063 403149 2 OC10H18 AB10C18 -151.37 1.86 -9.12 1.54 0
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14064 403294 5 OC6H6 AB6C6 -128.24 4.84 -9.58 -0.57 0
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14065 403296 1 O2C7H7N9 A2B7C7D9 162.84 1.68 -9.56 -1.6 0
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14066 403346 1 NS2O4H15C18 AB2C4D15E18 -78.66 4.17 -9.5 -1.69 0
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14067 403384 1 NO3C27H35 AB3C27D35 -77.13 3.98 -8.52 -0.07 0
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14068 403438 2 NOH9C11 ABC9D11 26.12 2.92 -9.12 -1.19 0
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14069 403440 1 N2O5H24C25 A2B5C24D25 -108.96 5.14 -8.14 -0.84 0
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14070 403462 2 N2O2C9H11 A2B2C9D11 -65.36 3.5 -9.14 -1.6 0
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14071 403474 1 N2O2C19H20 A2B2C19D20 -43.62 4.36 -8.31 -0.53 0
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14072 403488 1 N2O4H18C21 A2B4C18D21 -124.38 2.4 -9.95 -0.88 0
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14073 403545 1 ClNOH16C24 ABCD16E24 83.98 2.9 -8.03 -1.17 0
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14074 403561 2 ON2C8H10 AB2C8D10 -49.06 4.26 -8.59 -0.1 0
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14075 403568 1 SN2O2C13H14 AB2C2D13E14 -40.91 6.9 -9.03 -0.67 0
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14076 403575 1 N3O5H29C35 A3B5C29D35 -54.09 7.39 -8.62 -1.32 0
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14077 403584 1 BrSO2N4C18H19 ABC2D4E18F19 14.13 8.6 -8.56 -1.96 0
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14078 403585 1 BrSO2N4H15C19 ABC2D4E15F19 53.27 8.05 -8.55 -1.96 0
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14079 403590 1 FSO3N5H16C24 ABC3D5E16F24 -9.86 6.21 -8.99 -1.19 0
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14080 403734 1 OSCl2N2H12C16 ABC2D2E12F16 8.76 3.18 -9.4 -0.77 0
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14081 403738 1 FOSCl4N5H16C28 ABCD4E5F16G28 93.08 5.93 -8.6 -1.96 0
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14082 403756 1 N2O3C18H20 A2B3C18D20 -66.65 4.75 -8.4 -0.29 0
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14083 403777 1 N3O3H23C25 A3B3C23D25 -1.21 4.65 -8.39 -0.36 0