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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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305 2551 1 N2O2C6H15 A2B2C6D15 -69.18 2.79 0.0 0.0 1
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306 2552 1 O4C21H34 A4B21C34 -216.35 3.18 -9.76 0.6 0
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307 2553 1 N4O4H10C11 A4B4C10D11 10.12 5.68 -9.17 -1.95 0
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308 2554 1 ON2H12C15 AB2C12D15 26.69 3.81 -8.71 -0.56 0
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309 2555 1 N2O2H12C15 A2B2C12D15 30.59 3.69 -9.08 -0.59 0
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310 2556 1 PC8O8H15 AB8C8D15 -436.05 3.98 -10.84 -0.13 0
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311 2559 1 SN2O6H16C17 AB2C6D16E17 -171.61 8.07 -9.51 -1.33 -2
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312 2560 1 SN2O6C17H18 AB2C6D17E18 -213.88 3.72 -9.75 -0.81 0
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313 2561 1 O7C34H50 A7B34C50 -375.23 10.64 -9.72 -0.08 0
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314 2563 2 NO2C5H7 AB2C5D7 -143.24 4.34 -8.76 -0.07 0
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315 2564 1 ClON2C16H19 ABC2D16E19 5.53 3.69 -8.95 -0.26 0
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316 2566 1 NO3C12H15 AB3C12D15 -111.35 3.04 -8.55 0.09 0
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317 2567 1 PtO4C6H8 AB4C6D8 -83.3 2.71 -10.14 -1.5 0
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318 2577 1 FN3O3C11H16 AB3C3D11E16 -183.2 4.42 -10.34 -1.1 0
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319 2581 1 ClNO2H12C15 ABC2D12E15 -52.35 2.81 -8.78 -0.91 0
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320 2582 1 NO2C8H18 AB2C8D18 -74.89 1.44 0.0 0.0 1
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321 2583 1 N2O3C16H24 A2B3C16D24 -141.13 4.44 -9.01 -0.16 0
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322 2584 2 SN3O5C6H7 AB3C5D6E7 -308.99 4.73 -9.56 -1.44 0
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323 2586 1 O8C31H38 A8B31C38 -327.57 5.01 -8.96 -0.79 0
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324 2587 1 O9C32H40 A9B32C40 -363.45 2.64 -9.01 -0.86 0
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325 2589 1 O9C31H38 A9B31C38 -368.16 4.06 -9.3 -0.81 0
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326 2592 1 NO4C8H15 AB4C8D15 -188.03 5.13 -9.52 1.53 0
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327 2599 1 ON3H9C10 AB3C9D10 39.75 7.48 -9.26 -1.51 0
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328 2600 1 O2N3C12H13 A2B3C12D13 -6.54 7.49 -9.18 -1.46 0
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329 2601 1 N2O5H16C17 A2B5C16D17 -133.6 4.78 -9.43 -1.48 0
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330 2602 2 NO2C5H5 AB2C5D5 -59.04 3.47 -9.68 -1.24 0
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331 2603 1 ClN4H5C9 AB4C5D9 120.43 6.08 -9.61 -1.64 0
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332 2604 2 NOC8H8 ABC8D8 -27.14 7.12 -8.18 -1.05 0
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333 2605 1 O3C26H26 A3B26C26 -88.97 4.87 -9.57 -1.41 0
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334 2606 2 NOC4H5 ABC4D5 -12.24 2.29 -9.52 0.32 0
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335 2607 1 ClON2H11C17 ABC2D11E17 39.3 1.78 -8.52 -0.92 0
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336 2609 1 ClSN3O4H14C15 ABC3D4E14F15 -102.97 7.75 -9.53 -0.96 0
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337 2611 1 S2N3O4H18C19 A2B3C4D18E19 -53.82 8.91 0.0 0.0 1
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338 2617 1 S3O4N8H13C14 A3B4C8D13E14 48.95 4.63 0.0 0.0 -1
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339 2618 1 S3O4N8C14H14 A3B4C8D14E14 7.81 6.37 -9.1 -1.09 0
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340 2619 1 S2N9O9C22H29 A2B9C9D22E29 -255.47 4.58 -9.47 -1.4 0
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341 2620 1 S2N5O5H13C14 A2B5C5D13E14 -51.68 13.21 -8.42 -1.39 0
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342 2621 1 S2N6O8C25H28 A2B6C8D25E28 -172.56 3.9 -8.81 -1.0 0
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343 2622 1 S2O5N6C19H24 A2B5C6D19E24 -68.96 14.35 -8.35 -0.77 0
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344 2623 1 S2O5N6C19H25 A2B5C6D19E25 -75.44 10.08 0.0 0.0 1
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345 2624 1 S3O5N9C16H17 A3B5C9D16E17 -2.5 8.92 -9.27 -1.02 0
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346 2625 1 S3O5N7C15H16 A3B5C7D15E16 -1.82 4.88 0.0 0.0 -1
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347 2627 1 S3N7O7C16H21 A3B7C7D16E21 -181.55 9.79 -9.51 -1.42 0
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348 2628 1 S4N6O7C20H20 A4B6C7D20E20 -138.23 6.89 -9.13 -1.25 0
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349 2630 1 S2O8N9C25H27 A2B8C9D25E27 -183.32 6.43 -9.56 -1.4 0
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350 2631 1 S2N5O7C16H16 A2B5C7D16E16 -136.29 4.03 0.0 0.0 -1
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351 2632 1 S2N5O7C16H17 A2B5C7D16E17 -171.65 9.2 -9.31 -1.09 0
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352 2636 1 S3O7N9C27H37 A3B7C9D27E37 -170.72 7.3 -8.94 -1.2 0
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353 2637 1 S2N3O7C16H16 A2B3C7D16E16 -182.84 8.61 0.0 0.0 -1
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354 2638 1 S2N3O7C16H17 A2B3C7D16E17 -231.69 3.65 -9.28 -0.93 0
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355 2644 1 S2N5O9C22H29 A2B5C9D22E29 -277.39 7.22 -9.11 -0.78 0
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356 2645 1 S2N5O9C21H27 A2B5C9D21E27 -266.83 1.87 -9.2 -0.92 0
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357 2647 1 SN3O5C16H19 AB3C5D16E19 -140.26 7.53 -9.33 -0.73 0
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358 2650 1 S2N6O7C22H22 A2B6C7D22E22 -117.41 15.3 -8.41 -2.24 0
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359 2652 1 S2O7N9C22H27 A2B7C9D22E27 -106.72 1.42 -9.18 -1.05 0
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360 2653 1 S3O4N8H12C13 A3B4C8D12E13 27.6 3.38 -9.38 -1.44 0
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361 2654 1 S2N4O6H14C15 A2B4C6D14E15 -171.67 4.85 -9.07 -0.85 0
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362 2655 1 S2N5O5C13H13 A2B5C5D13E13 -72.42 6.86 -9.11 -0.86 0
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363 2656 1 S3O7N8H16C18 A3B7C8D16E18 -12.29 7.91 -9.23 -2.99 -2
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364 2658 1 SN4O8H15C16 AB4C8D15E16 -170.51 5.77 0.0 0.0 -1
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365 2659 1 SN4O8C16H16 AB4C8D16E16 -208.94 2.34 -9.23 -0.95 0
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366 2660 1 SN4O10C20H22 AB4C10D20E22 -309.75 3.81 -9.35 -1.01 0
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367 2661 4 OC7H9 AB7C9 -167.63 6.77 -8.59 -1.39 0
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368 2662 1 SO2F3N3H14C17 AB2C3D3E14F17 -149.19 4.37 -9.68 -1.38 0
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369 2665 2 NO2C14H19 AB2C14D19 -133.81 6.11 -8.23 0.17 0
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370 2667 2 NSO2C7H8 ABC2D7E8 -123.51 7.21 -9.06 -0.69 0
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371 2668 1 SN3O8C16H20 AB3C8D16E20 -281.95 4.82 0.0 0.0 -1
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372 2669 1 SN3O8C16H21 AB3C8D16E21 -325.84 5.1 -9.46 -0.94 0
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373 2670 1 N2S2O6H15C16 A2B2C6D15E16 -137.18 3.18 0.0 0.0 -1
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374 2673 1 SN3O4C16H19 AB3C4D16E19 -114.76 5.9 -9.22 -0.56 0
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375 2675 1 S2N5O7H15C16 A2B5C7D15E16 -143.62 3.64 -9.43 -1.28 0
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376 2676 1 FNO5C26H34 ABC5D26E34 -252.85 4.06 -9.49 -0.45 0
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377 2678 1 ClN2O3C21H25 AB2C3D21E25 -82.29 5.13 -8.96 -0.38 0
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378 2679 1 SN4O6C18H26 AB4C6D18E26 -241.64 3.05 -9.07 -0.98 0
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379 2680 1 NO4C17H23 AB4C17D23 -173.8 4.64 -9.35 -0.22 0
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380 2682 1 OC16H34 AB16C34 -124.76 2.14 -10.38 2.79 0
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381 2683 1 NC21H38 AB21C38 -40.47 2.35 0.0 0.0 1
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382 2685 1 F3N4O5C23H25 A3B4C5D23E25 -290.39 9.68 -8.87 -0.73 0
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383 2686 1 N5O5C31H51 A5B5C31D51 -251.44 6.28 -8.72 -0.19 0
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384 2687 1 N3O3C14H21 A3B3C14D21 -118.88 6.06 -8.68 -0.12 0
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385 2688 1 NOSCl2H11C15 ABCD2E11F15 -6.77 3.41 -8.98 -0.66 0
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386 2689 1 F3N4C17H17 A3B4C17D17 -88.07 4.71 -8.55 -1.1 0
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387 2692 1 O4N5C16H23 A4B5C16D23 -134.67 4.55 -8.98 -0.62 0
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388 2693 1 S4N6O6H30C31 A4B6C6D30E31 -66.6 8.63 -8.64 -2.3 0
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389 2694 1 N5O6C27H39 A5B6C27D39 -235.73 4.47 -9.36 -0.09 0
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390 2695 1 N5O7C29H43 A5B7C29D43 -278.32 6.57 -8.65 -0.03 0
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391 2696 1 N5O5C27H39 A5B5C27D39 -232.13 6.6 -9.24 0.18 0
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392 2698 1 N5O6C28H41 A5B6C28D41 -237.63 8.62 -9.24 -0.05 0
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393 2699 1 N5O6C26H37 A5B6C26D37 -216.61 5.32 -9.43 -0.32 0
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394 2705 1 O4C25H42 A4B25C42 -264.2 5.9 -10.1 0.58 0
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395 2706 2 N2O3C14H19 A2B3C14D19 -211.15 6.24 -9.44 -0.55 0
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396 2707 1 C2O2Cl3H3 A2B2C3D3 -120.3 1.74 -11.24 -0.58 0
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397 2708 1 NCl2O2C14H19 AB2C2D14E19 -101.25 3.86 -8.83 -0.13 0
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398 2709 1 Cl2N2O8C15H16 A2B2C8D15E16 -267.87 10.71 -10.42 -1.39 0
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399 2710 1 ClN2C18H21 AB2C18D21 40.7 2.28 -8.43 -0.14 0
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400 2711 2 Cl4H4C5 A4B4C5 -59.8 4.36 -10.22 -0.47 0
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401 2712 1 ClON3H14C16 ABC3D14E16 88.36 5.42 -8.77 -1.36 0
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402 2713 2 ClN5C11H15 AB5C11D15 83.61 2.86 -8.76 -0.52 0
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403 2714 1 ClO4C23H29 AB4C23D29 -190.27 6.95 -9.67 -0.81 0
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404 2716 1 ClHgN2O2C5H11 ABC2D2E5F11 -53.64 5.03 -9.96 -0.92 0