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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48984 11528580 1 SN2C11H16 AB2C11D16 24.88 1.28 -8.49 -0.26 0
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48985 11528581 1 SN2C11H16 AB2C11D16 1.94 1.24 -8.5 -0.1 0
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48986 11528583 1 SC13H20 AB13C20 -13.14 2.16 -8.51 0.13 0
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48987 11528584 1 ClN4C9H9 AB4C9D9 65.17 0.93 -8.77 -0.82 0
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48988 11528585 1 NPO5C6H12 ABC5D6E12 -229.5 4.45 -9.41 0.12 0
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48989 11528586 1 NO2C12H19 AB2C12D19 -80.71 4.22 -8.81 0.21 0
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48990 11528589 3 OC4H6 AB4C6 -141.91 3.87 -10.41 -0.37 0
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48991 11528590 2 NC7H7 AB7C7 48.43 3.29 -8.3 -0.45 0
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48992 11528592 1 O2C13H22 A2B13C22 -110.33 1.16 -10.37 -0.1 0
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48993 11528593 1 NO3C11H17 AB3C11D17 -139.42 2.2 -9.2 0.21 0
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48994 11528594 1 ClNOC11H14 ABCD11E14 -41.18 4.04 -9.35 -0.1 0
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48995 11528595 1 N2O3C10H16 A2B3C10D16 -60.11 5.97 -8.64 -0.87 0
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48996 11528596 4 NC3H3 AB3C3 98.24 2.7 -9.14 -0.64 0
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48998 11528598 1 SO2C11H16 AB2C11D16 -78.58 1.26 -9.05 -0.45 0
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48999 11528599 1 NO2H11C13 AB2C11D13 -21.62 5.83 -10.06 -0.94 0
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49000 11528600 1 NO2H11C13 AB2C11D13 -34.48 5.02 -10.11 -0.68 0
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49001 11528601 1 FNH12C14 ABC12D14 55.45 3.06 -8.74 -0.14 0
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49002 11528602 1 NO2C12H23 AB2C12D23 -118.68 3.12 -9.78 0.86 0
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49003 11528603 1 NC14H31 AB14C31 -65.27 1.6 -8.62 3.17 0
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49004 11528604 1 PO4C9H11 AB4C9D11 -186.6 4.95 -9.03 -0.52 0
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49005 11528605 1 FON2H7C12 ABC2D7E12 13.31 5.78 -9.55 -1.76 0
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49006 11528607 2 NOH5C6 ABC5D6 -34.13 6.48 -8.68 -0.69 0
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49007 11528608 1 SN2O3C8H10 AB2C3D8E10 0.65 2.89 -9.21 -1.01 0
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49008 11528609 1 SO3C10H14 AB3C10D14 -122.45 3.11 -9.07 -0.16 0
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49009 11528610 1 SN2H10C12 AB2C10D12 73.85 2.23 -8.52 -0.36 0
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49010 11528611 1 OSN2C10H18 ABC2D10E18 -68.86 3.43 -9.07 -0.1 0
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49011 11528612 1 Cl2H4N4C7 A2B4C4D7 93.62 5.55 -10.18 -1.62 0
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49012 11528613 1 NF3O4C6H8 AB3C4D6E8 -327.96 3.71 -10.82 -0.52 0
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49013 11528614 1 NO2C13H13 AB2C13D13 -47.1 2.87 -9.4 -0.75 0
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49014 11528615 1 NC15H21 AB15C21 4.28 3.04 -8.26 0.66 0
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49015 11528616 1 OF3C11H11 AB3C11D11 -168.8 3.26 -9.04 -0.02 0
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49016 11528617 2 NOC6H6 ABC6D6 -20.51 4.95 -8.83 -0.45 0
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49017 11528618 4 NC3H4 AB3C4 64.85 8.47 -8.23 -0.03 0
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49018 11528620 1 SiO2C11H24 AB2C11D24 -140.49 3.17 -8.71 1.41 0
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49019 11528621 1 ClN2H9C12 AB2C9D12 96.3 5.58 -8.82 -0.75 0
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49020 11528622 1 BrSiC8H13 ABC8D13 10.26 1.33 -9.22 0.01 0
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49021 11528623 1 O2N3C11H11 A2B3C11D11 -27.39 5.73 -8.99 -0.6 0
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49022 11528624 1 FNOH12C13 ABCD12E13 -29.62 5.22 -9.1 -0.92 0
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49023 11528625 1 NOC14H19 ABC14D19 -25.68 2.8 -7.99 0.43 0
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49024 11528626 2 ON2C5H5 AB2C5D5 46.67 10.31 -9.22 -1.47 1
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49025 11528627 1 O2N4C10H11 A2B4C10D11 39.82 8.68 0.0 0.0 0
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49026 11528628 1 SN2O4C7H10 AB2C4D7E10 -54.45 1.44 -9.44 -1.17 0
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49027 11528629 1 O5C10H18 A5B10C18 -248.91 2.9 -10.15 0.79 0
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49028 11528630 2 NOC6H7 ABC6D7 -56.83 4.91 -8.43 -0.49 0
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49029 11528631 2 OC7H9 AB7C9 -47.67 2.2 -9.42 0.32 0
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49030 11528632 1 ON2C13H18 AB2C13D18 -0.25 3.22 -9.21 0.22 0
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49031 11528633 2 NC7H11 AB7C11 25.09 1.7 -8.54 0.11 0
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49032 11528634 1 ClN2O2C9H15 AB2C2D9E15 -89.66 1.92 -9.08 -0.2 0
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49033 11528635 1 F2N3H7C11 A2B3C7D11 5.55 0.89 -9.73 -0.8 0
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49034 11528636 1 SN3O4C6H9 AB3C4D6E9 -25.93 3.64 -9.18 -1.06 0