List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
246550 103061234 1 NO2C11H23 AB2C11D23 -116.3 1.02 -8.58 2.05 0
246551 103061235 2 N3C6H11 A3B6C11 55.47 3.15 -8.64 -0.61 0
246552 103061237 1 N5C13H23 A5B13C23 37.38 1.35 -8.74 -0.47 0
246553 103061239 1 ON5C11H19 AB5C11D19 4.91 1.51 -9.09 -0.63 0
246554 103061241 1 NO2C11H21 AB2C11D21 -88.53 1.58 -8.82 2.26 0
246555 103061242 1 N5C12H21 A5B12C21 38.7 3.33 -8.87 -0.42 0
246556 103061246 1 ON5C11H19 AB5C11D19 7.66 2.22 -8.75 -0.46 0
246557 103061251 1 NO2C11H23 AB2C11D23 -117.18 1.4 -8.72 2.24 0
246558 103061252 1 ON5C12H21 AB5C12D21 3.55 2.56 -8.79 -0.52 0
246559 103061271 1 O2N5C11H19 A2B5C11D19 -30.13 1.91 -8.88 -0.66 0
246560 103061275 1 ON5C12H21 AB5C12D21 8.0 3.11 -8.69 -0.41 0
246561 103061281 2 N3C7H14 A3B7C14 41.56 2.66 -8.57 -0.39 0
246562 103061284 4 N2C3H3 A2B3C3 172.11 3.26 -9.15 -1.08 0
246563 103061286 1 O2N7C8H9 A2B7C8D9 102.21 6.35 -9.69 -1.31 0
246564 103061291 1 ON6C9H10 AB6C9D10 57.32 6.36 -9.38 -1.03 0
246565 103061293 1 ON5C9H13 AB5C9D13 14.94 4.58 -8.92 -0.67 0
246566 103061294 1 N2O2C13H26 A2B2C13D26 -110.83 0.6 -8.24 2.21 0
246567 103061295 3 N2C3H4 A2B3C4 89.51 4.22 -9.19 -0.94 0
246568 103061303 1 NO3C12H23 AB3C12D23 -155.96 1.43 -8.92 2.12 0
246569 103061304 2 N3C4H5 A3B4C5 101.95 3.86 -9.42 -1.1 0
246570 103061305 1 NO3C12H23 AB3C12D23 -151.46 1.42 -8.7 2.03 0
246571 103061308 1 NO2C15H27 AB2C15D27 -127.49 1.54 -8.65 2.27 0
246572 103061309 2 N3C5H7 A3B5C7 87.72 1.76 -9.14 -0.77 0
246573 103061318 1 NO2C16H23 AB2C16D23 -79.33 1.38 -8.97 0.28 0
246574 103061320 1 ON5H13C14 AB5C13D14 68.89 6.14 -8.86 -1.15 0
246575 103061322 2 N3C5H7 A3B5C7 87.74 5.44 -9.09 -0.89 0
246576 103061344 1 O2N6C11H16 A2B6C11D16 -28.7 3.69 -8.96 -0.78 0
246577 103061380 1 O2N6C9H12 A2B6C9D12 -12.21 2.62 -9.2 -0.81 0
246578 103061381 1 NO2C15H27 AB2C15D27 -121.64 1.42 -8.67 2.24 0
246579 103061382 1 O2N6C9H10 A2B6C9D10 -8.78 5.66 -9.24 -1.05 0
246580 103061383 1 NO2C13H25 AB2C13D25 -97.45 1.46 -8.79 2.26 0
246581 103061384 1 ClO2N5H12C13 AB2C5D12E13 7.39 2.87 -8.96 -0.82 0
246582 103061385 1 BrNSO2C12H18 ABCD2E12F18 -67.3 2.84 -9.16 -0.42 0
246583 103061387 1 O2N5C14H15 A2B5C14D15 9.79 3.2 -8.74 -0.71 0
246584 103061388 1 NO2C15H23 AB2C15D23 -88.06 0.8 -7.96 0.59 0
246585 103061389 1 ON5C15H17 AB5C15D17 37.3 4.27 -8.85 -0.64 0
246586 103061391 1 FNO2C13H18 ABC2D13E18 -120.79 3.87 -8.26 0.09 0
246587 103061392 1 O2N5H13C14 A2B5C13D14 6.71 4.34 -8.86 -0.85 0
246588 103061394 1 OSN5C9H11 ABC5D9E11 28.0 3.94 -8.92 -0.88 0
246589 103061395 1 NO3C14H21 AB3C14D21 -109.09 1.84 -8.59 0.18 0
246590 103061396 1 O2N5C11H15 A2B5C11D15 -28.95 3.13 -8.9 -0.67 0
246591 103061400 1 NO3C12H23 AB3C12D23 -151.07 1.19 -8.88 2.15 0
246592 103061405 1 O3N5C9H11 A3B5C9D11 -51.79 3.67 -8.99 -0.76 0
246593 103061407 1 N7C9H13 A7B9C13 96.75 1.93 -9.32 -0.88 0
246594 103061412 1 ON7H11C12 AB7C11D12 98.99 2.43 -8.96 -1.27 0
246595 103061414 1 SO2N5C8H13 AB2C5D8E13 -16.98 6.05 -8.99 -0.69 0
246596 103061415 1 NO3C13H25 AB3C13D25 -162.43 1.56 -8.89 2.13 0
246597 103061418 3 N2C3H4 A2B3C4 101.49 3.45 -9.04 -0.74 0
246598 103061419 1 NO2C15H23 AB2C15D23 -89.57 1.99 -8.8 0.48 0
246599 103061421 2 NOC7H14 ABC7D14 -111.19 2.78 -8.45 2.14 0
246600 103061422 1 BrN6C10H13 AB6C10D13 90.62 1.69 -9.16 -0.88 0
246601 103061428 1 ClN6C8H9 AB6C8D9 101.33 2.26 -9.34 -1.0 0
246602 103061429 1 NO3C11H23 AB3C11D23 -148.23 0.81 -8.85 1.98 0
246603 103061430 1 BrN6C8H9 AB6C8D9 111.5 2.2 -9.4 -1.01 0
246604 103061436 1 O2N5C10H13 A2B5C10D13 -29.58 2.19 -9.21 -0.78 0
246605 103061439 1 NO3C12H23 AB3C12D23 -153.62 1.4 -8.64 2.07 0
246606 103061440 2 N3C5H7 A3B5C7 84.01 4.98 -8.77 -0.77 0
246607 103061441 1 ON6C14H14 AB6C14D14 64.81 3.43 -8.97 -0.94 0
246608 103061442 1 NO2C14H27 AB2C14D27 -121.65 0.99 -8.5 2.05 0
246609 103061468 1 ON6C10H12 AB6C10D12 49.77 6.95 -9.35 -1.07 0
246610 103061469 1 O2N6C11H14 A2B6C11D14 8.28 1.62 -9.09 -0.96 0
246611 103061482 1 ON6C11H14 AB6C11D14 29.7 3.88 -9.31 -0.91 0
246612 103061495 1 NO3C14H27 AB3C14D27 -156.48 2.67 -8.57 2.29 0
246613 103061497 1 NO3C11H21 AB3C11D21 -128.33 2.79 -9.11 2.07 0
246614 103061498 1 O2N7C9H11 A2B7C9D11 101.24 8.27 -9.35 -1.15 0
246615 103061499 1 N2O2C13H24 A2B2C13D24 -81.02 0.38 -8.38 2.17 0
246616 103061501 1 NO3C12H25 AB3C12D25 -166.47 3.01 -8.88 2.11 0
246617 103061502 1 N6C11H16 A6B11C16 82.29 5.65 -9.03 -0.92 0
246618 103061505 1 ON5C14H15 AB5C14D15 43.7 4.22 -8.88 -0.63 0
246619 103061506 1 NO3C13H25 AB3C13D25 -151.24 2.68 -8.56 2.34 0
246620 103061528 1 O2N5C10H11 A2B5C10D11 9.79 2.61 -8.95 -0.66 0
246621 103061529 1 ON5C13H21 AB5C13D21 -7.8 4.35 -8.81 -0.55 0
246622 103061531 1 O2N5C11H15 A2B5C11D15 -36.78 2.63 -9.17 -0.76 0
246623 103061541 1 N7C11H17 A7B11C17 94.06 3.08 -8.96 -0.72 0
246624 103061546 1 ClNO2C15H22 ABC2D15E22 -90.27 2.71 -8.81 0.01 0