List Systems

Back
Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
259600 103168984 3 NC6H9 AB6C9 36.64 2.88 -8.51 -0.15 0
259601 103169001 1 N4C13H24 A4B13C24 24.14 3.0 -9.08 0.4 0
259602 103169114 1 NOC14H25 ABC14D25 -58.29 3.07 -9.24 2.29 0
259603 103169150 1 ON3C17H31 AB3C17D31 -42.38 4.57 -8.68 0.97 0
259604 103169151 1 N3C16H29 A3B16C29 -3.36 3.34 -8.88 0.87 0
259605 103169156 1 NO2C12H25 AB2C12D25 -113.47 2.07 -9.35 2.07 0
259606 103169165 1 NSO3C15H29 ABC3D15E29 -157.17 4.76 -9.44 0.82 0
259607 103169185 1 BrFNOC16H23 ABCDE16F23 -81.98 1.48 -9.18 -0.52 0
259608 103169192 1 OSN2C17H30 ABC2D17E30 -48.05 2.22 -8.96 -0.13 0
259609 103169200 1 NOC18H33 ABC18D33 -84.41 1.33 -8.77 2.48 0
259610 103169255 1 SN2C14H24 AB2C14D24 1.19 1.81 -8.84 -0.14 0
259611 103169342 1 ON2C13H20 AB2C13D20 -19.09 4.23 -8.92 0.06 0
259612 103169373 1 NC14H29 AB14C29 -47.27 1.38 -8.69 3.12 0
259613 103169389 1 NOC14H23 ABC14D23 -30.55 2.26 -8.93 0.72 0
259614 103169414 1 O2N3C14H23 A2B3C14D23 -46.43 3.34 -8.89 -0.43 0
259615 103169456 1 ClN3C13H22 AB3C13D22 17.33 1.22 -8.88 0.51 0
259616 103169457 1 ClON3C15H26 ABC3D15E26 -32.21 1.83 -8.88 0.54 0
259617 103169477 1 NOC18H29 ABC18D29 -44.12 3.13 -8.54 0.26 0
259618 103169484 1 BrON2C16H25 ABC2D16E25 -28.29 1.57 -8.93 -0.58 0
259619 103169508 1 FON2C14H21 ABC2D14E21 -64.43 4.76 -9.39 -0.22 0
259620 103169566 1 ClON3C16H28 ABC3D16E28 -31.08 3.95 -9.0 0.45 0
259621 103169637 1 ClON3C13H22 ABC3D13E22 -20.11 5.59 -9.13 0.51 0
259622 103169676 1 ON3C13H23 AB3C13D23 -12.25 0.98 -8.65 0.7 0
259623 103169732 1 NC19H29 AB19C29 10.23 2.0 -8.78 0.44 0
259624 103169746 1 NOC14H19 ABC14D19 -24.71 3.83 -8.79 0.07 0
259625 103169826 1 NF3C16H22 AB3C16D22 -157.86 4.99 -9.1 -0.43 0
259626 103169829 1 NOSC16H27 ABCD16E27 -40.43 3.13 -8.83 0.06 0
259627 103169846 1 ON3C17H31 AB3C17D31 -33.83 4.08 -8.99 0.95 0
259628 103169851 1 NOC13H27 ABC13D27 -77.45 1.56 -8.81 2.32 0
259629 103169859 1 ClFNOC16H23 ABCDE16F23 -91.91 2.41 -9.13 -0.46 0
259630 103169867 1 ClFNOC15H21 ABCDE15F21 -93.38 0.5 -9.47 -0.51 0
259631 103169881 2 OC6H12 AB6C12 -126.36 2.35 -9.71 2.22 0
259632 103169903 1 N2O2C13H22 A2B2C13D22 -66.84 2.23 -9.47 0.66 0
259633 103169913 1 SO4C12H24 AB4C12D24 -202.44 6.11 -9.86 1.04 0
259634 103169925 2 OC9H14 AB9C14 -113.11 1.65 -8.91 0.54 0
259635 103169927 1 Cl2O2C15H20 A2B2C15D20 -103.92 0.74 -9.68 -0.42 0
259636 103169948 1 BrFOC13H16 ABCD13E16 -84.19 3.1 -9.63 -0.44 0
259637 103169954 1 NO2C15H23 AB2C15D23 -82.5 3.93 -9.39 0.0 0
259638 103169974 2 OC7H14 AB7C14 -137.73 0.79 -9.66 2.24 0
259639 103170008 2 NOC7H12 ABC7D12 -82.57 3.7 -9.24 0.61 0
259640 103170019 2 FOC7H9 ABC7D9 -167.05 3.94 -9.78 -0.44 0
259641 103170022 2 OC8H15 AB8C15 -135.42 2.61 -9.75 2.2 0
259642 103170037 2 OC6H11 AB6C11 -95.53 0.73 -9.7 2.24 0
259643 103170049 1 N2O2C15H26 A2B2C15D26 -81.13 2.7 -9.3 0.74 0
259644 103170100 1 ON3C11H19 AB3C11D19 -20.6 3.39 -9.85 0.38 0
259645 103170197 1 NO3C14H21 AB3C14D21 -104.72 3.33 -9.25 -0.25 0
259646 103170209 2 OC7H14 AB7C14 -135.17 0.97 -9.67 2.24 0
259647 103170416 1 ON2C17H28 AB2C17D28 -36.43 2.0 -8.86 0.47 0
259648 103170467 1 BrFON2C15H22 ABCD2E15F22 -65.21 1.76 -8.73 -0.34 0
259649 103170471 2 NC8H13 AB8C13 12.03 0.75 -8.54 0.43 0
259650 103170479 2 NC6H13 AB6C13 -23.0 2.68 -9.03 2.6 0
259651 103170545 1 OF2N2C14H20 AB2C2D14E20 -102.45 0.72 -8.67 -0.3 0
259652 103170569 1 SN2O2C11H24 AB2C2D11E24 -94.22 7.04 -8.7 0.68 0
259653 103170579 2 NC7H14 AB7C14 -26.35 0.5 -8.42 2.62 0
259654 103170612 1 N3C16H21 A3B16C21 54.02 3.45 -8.72 -0.6 0
259655 103170619 1 ClON4C15H27 ABC4D15E27 -25.24 4.13 -8.58 0.73 0
259656 103170620 1 ClN4C13H23 AB4C13D23 21.57 2.55 -8.68 0.6 0
259657 103170804 1 ClON4C14H25 ABC4D14E25 -13.1 3.59 -9.32 0.23 0
259658 103170825 1 O2N4C13H24 A2B4C13D24 -25.83 3.88 -8.54 0.77 0
259659 103170838 1 ON2C15H22 AB2C15D22 -10.32 2.98 -8.41 0.19 0
259660 103170845 2 NC8H13 AB8C13 9.96 0.77 -8.56 0.36 0
259661 103170919 1 SN2O2C14H16 AB2C2D14E16 -53.29 4.59 -8.69 -0.27 0
259662 103171047 1 SN2O2C13H22 AB2C2D13E22 -101.9 4.98 -8.58 -0.13 0
259663 103171137 1 SN2O3C13H20 AB2C3D13E20 -128.4 4.73 -8.7 -0.25 0
259664 103171152 1 SN3O3C13H21 AB3C3D13E21 -133.67 5.01 -8.83 -0.4 0
259665 103171219 1 SN2O2C16H24 AB2C2D16E24 -83.31 4.66 -8.52 -0.05 0
259666 103171233 1 SN2O2F3C13H19 AB2C2D3E13F19 -252.75 6.77 -8.78 -0.35 0
259667 103171247 1 ClSN2O2C15H17 ABC2D2E15F17 -62.82 5.87 -8.65 -0.28 0
259668 103171270 1 SO2N3C15H21 AB2C3D15E21 -22.05 5.62 -8.66 -0.22 0
259669 103171284 1 ClN2O2S2C14H17 AB2C2D2E14F17 -52.97 5.09 -8.71 -0.48 0
259670 103171347 1 ClFSN2O2C14H14 ABCD2E2F14G14 -111.3 3.51 -8.88 -0.48 0
259671 103171472 1 SO2N3C15H25 AB2C3D15E25 -85.53 4.01 -8.57 -0.13 0
259672 103171565 2 NSO2C6H10 ABC2D6E10 -175.72 3.57 -8.85 -0.4 0
259673 103171578 1 SN2O3C13H22 AB2C3D13E22 -146.14 6.61 -8.58 -0.13 0
259674 103171590 1 SN3O3C13H17 AB3C3D13E17 -69.76 3.65 -8.66 -0.29 0