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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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13678 396863 1 O2N5H17C20 A2B5C17D20 77.38 0.48 -9.25 -1.27 0
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13679 396866 1 ClO2N5H16C20 AB2C5D16E20 67.97 5.19 -9.11 -1.4 0
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13680 396870 1 ClN3O3C16H20 AB3C3D16E20 -121.08 8.8 -8.52 -0.39 0
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13681 396873 1 F3N3O3C17H20 A3B3C3D17E20 -278.49 8.16 -8.84 -0.33 0
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13682 396875 1 FN3O4C16H20 AB3C4D16E20 -197.4 7.87 -8.49 -0.38 0
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13683 396876 1 ClN3O4C16H20 AB3C4D16E20 -155.05 5.71 -8.82 -0.53 0
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13684 396878 1 N3O4C13H23 A3B4C13D23 -187.93 1.89 -9.16 -0.02 0
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13685 396879 1 ClO2N3C14H14 AB2C3D14E14 -60.68 9.81 -9.05 -0.39 0
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13686 396887 2 ClO3C13H16 AB3C13D16 -241.51 1.74 -8.85 -0.31 0
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13687 396890 1 Cl2O7C26H28 A2B7C26D28 -257.63 7.02 -9.2 -0.93 0
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13688 396903 1 SO2N4H18C23 AB2C4D18E23 42.16 8.18 -9.3 -0.99 0
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13689 396911 1 SN2O5C10H16 AB2C5D10E16 -184.2 4.18 -10.3 -1.13 0
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13690 396913 1 O4N10H33C41 A4B10C33D41 249.11 7.17 0.0 0.0 1
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13691 396916 1 ON5C24H25 AB5C24D25 104.4 4.56 -7.92 -0.95 0
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13692 396929 1 NOSC7H7 ABCD7E7 -2.6 1.85 -9.43 -0.8 0
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13693 396938 1 OSCl2N2C12H14 ABC2D2E12F14 -1.56 2.93 -8.55 -1.17 0
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13694 396948 1 SCl2H2O2C7 AB2C2D2E7 -35.35 2.25 -9.99 -1.6 0
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13695 396953 1 S2N3C10H11 A2B3C10D11 76.88 2.57 -9.08 -0.66 0
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13696 396960 1 O2S2N3H19C24 A2B2C3D19E24 57.77 7.11 -8.54 -1.21 0
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13697 396961 1 SN2O4H16C17 AB2C4D16E17 -39.28 4.31 -9.16 -1.59 0
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13698 396978 1 S2N4O9H24C26 A2B4C9D24E26 -95.2 8.19 -9.07 -2.38 0
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13699 396992 1 N2O3C16H18 A2B3C16D18 -101.97 9.8 -8.85 -0.36 0
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13700 397004 1 SN2O6C28H32 AB2C6D28E32 -163.06 6.12 -8.28 -0.64 0
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13701 397051 1 ClO3S3N4H11C13 AB3C3D4E11F13 -40.72 3.68 -9.0 -1.28 0
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13702 397053 1 Cl2O3S3N4H14C19 A2B3C3D4E14F19 -35.64 3.38 -8.87 -1.39 0
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13703 397055 1 ClO2S2N3C17H18 AB2C2D3E17F18 -21.65 4.72 -8.98 -0.98 0
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13704 397064 1 ON8C11H18 AB8C11D18 54.84 7.39 -8.59 -0.29 0
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13705 397068 1 S2N3O4F6C14H15 A2B3C4D6E14F15 -380.64 6.7 -8.59 -1.4 0
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13706 397092 1 N2O3C20H22 A2B3C20D22 -97.22 8.82 -8.93 -1.28 0
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13707 397095 2 ClNOH6C10 ABCD6E10 4.59 2.6 -8.49 -1.9 0
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13708 397098 1 FN2O2H17C23 AB2C2D17E23 -13.56 4.15 -8.9 -1.36 0
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13709 397099 1 N2O2F3H17C24 A2B2C3D17E24 -129.14 4.31 -9.24 -1.41 0
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13710 397100 1 N2O2F3H17C24 A2B2C3D17E24 -129.3 7.0 -9.25 -1.47 0
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13711 397103 1 ON3C13H13 AB3C13D13 9.37 5.27 -8.8 0.03 0
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13712 397108 1 ON3H9C14 AB3C9D14 170.28 8.69 -8.71 -1.75 0
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13713 397130 1 PSN6O11C49H83 ABC6D11E49F83 -622.99 9.19 -9.51 -0.99 0
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13714 397139 1 S2N3O9C37H37 A2B3C9D37E37 -238.22 5.3 -8.49 -0.72 0
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13715 397151 1 OSCl2N2H6C10 ABC2D2E6F10 33.32 3.46 -9.57 -1.54 0
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13716 397166 1 N3O4C23H29 A3B4C23D29 -173.09 4.8 -8.46 -0.06 0
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13717 397168 1 N4O4C29H34 A4B4C29D34 -146.6 1.01 -8.54 -0.15 0
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13718 397169 1 N3O3C25H27 A3B3C25D27 -80.58 3.44 -8.56 -0.19 0
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13719 397189 1 SN2O4C20H36 AB2C4D20E36 -245.9 4.32 -8.7 0.39 0
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13720 397217 1 ClS2N4O4H19C26 AB2C4D4E19F26 3.62 6.92 -8.8 -1.14 0
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13721 397223 1 ClS3N4O4H17C24 AB3C4D4E17F24 8.51 6.63 -8.84 -1.28 0
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13722 397225 1 BrS3N4O4H19C26 AB3C4D4E19F26 -7.71 6.1 -8.98 -1.16 0
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13723 397226 1 BrS3N4O4H19C26 AB3C4D4E19F26 -7.55 3.72 -8.96 -1.09 0
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13724 397227 1 S3N4O5H20C26 A3B4C5D20E26 -54.4 5.47 -8.66 -1.0 0
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13725 397229 1 S3N4O5H22C27 A3B4C5D22E27 -52.85 6.49 -8.54 -0.95 0
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13726 397247 1 S3N4O4H16C19 A3B4C4D16E19 -60.7 4.21 -9.02 -0.89 0
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13727 397249 1 ClOS2N4H15C19 ABC2D4E15F19 59.14 2.32 -8.8 -0.81 0
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13728 397251 1 Cl2S3N4O4H14C19 A2B3C4D4E14F19 -66.93 7.91 -9.12 -1.29 0
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13729 397259 1 SCl2N2O3H16C18 AB2C2D3E16F18 -64.38 2.76 -9.07 -0.78 0
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13730 397272 1 SN3O5C21H21 AB3C5D21E21 -117.75 4.25 -9.04 -1.23 0
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13732 397279 1 B2Cl2O10C59H74 A2B2C10D59E74 -573.0 8.07 -9.6 -1.42 0
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13733 397286 1 SN4C11H14 AB4C11D14 60.82 1.99 -8.56 -0.88 0
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13734 397292 1 OSN3C6H7 ABC3D6E7 11.84 6.1 -9.3 -1.04 0
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13735 397296 2 Cl2S3N5H16C22 A2B3C5D16E22 265.86 11.06 -8.4 -1.72 0
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13736 397317 2 ON2H7C8 AB2C7D8 39.87 4.26 -9.02 -0.85 0
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13737 397415 1 NO4C11H15 AB4C11D15 -102.96 4.36 -8.71 0.11 0
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13738 397416 1 NBr2O5C14H15 AB2C5D14E15 -181.71 4.47 -10.62 -1.7 0
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13739 397445 1 SN2O4C20H22 AB2C4D20E22 -136.13 2.67 -9.08 -0.44 0
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13740 397463 1 NSO7C22H27 ABC7D22E27 -261.09 0.64 -8.24 -1.08 0
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13741 397464 1 NO5C19H21 AB5C19D21 -147.05 3.81 -8.29 -0.04 0
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13742 397469 1 NSO3C21H23 ABC3D21E23 -58.34 2.94 -8.79 -0.41 0
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13743 397470 1 NSO2C23H27 ABC2D23E27 -47.47 1.24 -8.7 -0.38 0
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13744 397471 1 NSO3C20H21 ABC3D20E21 -65.08 4.6 -8.53 -0.54 0
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13745 397475 1 NSO3C22H25 ABC3D22E25 -78.99 5.91 -7.78 -0.2 0
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13746 397477 1 NSO2C21H25 ABC2D21E25 -36.01 5.94 -8.74 -0.36 0
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13747 397478 1 NOSC23H27 ABCD23E27 11.0 2.97 -8.65 -0.32 0
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13748 397485 1 OSN4H18C21 ABC4D18E21 35.53 8.07 -7.86 -0.94 0
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13749 397489 1 OF2N2S2H10C13 AB2C2D2E10F13 -60.99 5.54 -9.01 -0.86 0
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13750 397507 1 ClOSN2C15H19 ABCD2E15F19 -40.0 3.77 -8.75 -0.52 0
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13751 397526 1 N3C10H13 A3B10C13 34.5 3.91 -7.89 0.17 0
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13752 397624 4 O2C12H19 A2B12C19 -494.66 4.93 -9.94 0.36 0
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13753 397636 1 Cl2N3H11C13 A2B3C11D13 45.42 6.75 -8.77 -0.47 0
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13754 397734 1 N2O2F3H13C20 A2B2C3D13E20 -137.3 3.51 -9.32 -1.53 0
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13755 397753 1 O3N4C25H30 A3B4C25D30 1.27 11.74 -8.97 -1.14 0
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13756 397908 2 NOC17H17 ABC17D17 1.18 4.29 -8.34 0.02 0
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13757 397930 1 N2O3C36H38 A2B3C36D38 -10.2 6.47 -9.0 -1.4 0
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13758 397937 1 O2S2N3C24H27 A2B2C3D24E27 -8.67 3.18 -8.77 -1.22 0
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13759 397946 2 NSO3C12H17 ABC3D12E17 -194.0 5.49 -9.3 -0.27 0
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13761 397954 1 NSC14H16 ABC14D16 36.22 2.84 0.0 0.0 1
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13762 397965 1 ClS2O3N4H13C16 AB2C3D4E13F16 7.45 6.31 -9.3 -1.48 0
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13763 397967 1 ClN3S3O5H14C17 AB3C3D5E14F17 -71.0 3.11 -9.3 -1.56 0
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13764 397968 1 ClN3S3O5H14C17 AB3C3D5E14F17 -73.65 4.76 -9.36 -1.47 0
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13765 397970 1 SCl2N4O6H14C19 AB2C4D6E14F19 -47.12 8.79 -9.14 -1.98 0
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13766 397976 1 BrNO3H8C11 ABC3D8E11 -73.25 2.88 -9.32 -1.57 0
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13767 397985 1 N3O4H13C14 A3B4C13D14 -11.52 4.78 -9.48 -2.36 0
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13768 397986 1 BrNO4H10C13 ABC4D10E13 -122.39 2.47 -9.44 -1.89 0
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13769 397988 2 O2C11H11 A2B11C11 -115.85 2.62 -9.12 -0.42 0
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13770 397989 2 FO2H6C9 AB2C6D9 -171.57 4.12 -9.52 -1.0 0
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13771 397990 1 N2O3C27H32 A2B3C27D32 -56.05 3.2 -8.72 -0.84 0
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13772 398008 2 N2C4H5 A2B4C5 68.09 2.75 -8.76 0.53 0
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13773 398013 1 NSO3H15C23 ABC3D15E23 -10.45 3.08 -8.61 -1.59 0
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13774 398015 1 NSO3H15C23 ABC3D15E23 7.75 5.14 -9.09 -1.23 0
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13775 398019 1 SN2O5H14C17 AB2C5D14E17 -144.15 5.8 -8.66 -0.72 0
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13776 398032 1 SO2N3H17C18 AB2C3D17E18 21.76 1.79 -8.07 -0.31 0
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13777 398051 1 PO5C16H17 AB5C16D17 -215.89 3.55 -9.55 -0.31 0
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13778 398053 1 PO6C18H23 AB6C18D23 -249.97 3.01 -9.37 -0.08 0
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13779 398055 1 O2C19H34 A2B19C34 -128.58 1.93 -8.86 0.56 0