Rank,Formula,MW,LogP,DockScore,HPScore,HMScore,HSScore,Average,Name 1, C20H12NO5S, 378.3, 4.51, -26.46, 7.38, 5.94, 6.72, 6.68, best-05 2, C28H15NO4, 429.3, 4.43, -27.96, 6.22, 6.61, 5.77, 6.20, 626398 3, C19H17N3O6S, 415.3, 5.25, -26.46, 6.16, 5.84, 6.38, 6.13, best-02 4, C18H11NO4, 305.2, 2.59, -26.46, 6.17, 5.91, 5.90, 5.99, best-01 5, C18H12NO3, 290.2, 3.08, -26.46, 5.71, 5.20, 5.56, 5.49, best-08 6, C17H10N4O2, 302.2, 2.25, -26.46, 5.45, 4.99, 5.70, 5.38, best-06 7, C11H7N3O6, 277.1, 1.04, -26.46, 5.29, 4.72, 5.42, 5.14, best-07 8, C17H10NO5Cl, 343.6, 4.35, -30.54, 5.35, 4.80, 5.22, 5.12, 93076 9, C24H21N3O5, 431.3, 4.62, -26.91, 5.09, 5.18, 5.04, 5.10, 58904 10, C18H14N2O3, 306.2, 3.68, -26.96, 4.47, 5.63, 4.97, 5.02, 360506 11, C18H13O5Cl, 344.6, 1.13, -27.25, 4.91, 4.91, 5.06, 4.96, 362905 12, C19H18NO5SCl, 407.7, 2.96, -29.62, 5.03, 5.00, 4.74, 4.92, 618531 13, C30H23NO5, 477.3, 5.88, -28.95, 5.12, 3.97, 5.64, 4.91, 640985 14, C19H14N2O3, 318.2, 3.21, -28.55, 4.65, 5.11, 4.84, 4.87, 357778 15, C30H20N2O5S, 520.4, 5.94, -28.94, 4.94, 4.56, 5.07, 4.86, 641225 16, C20H22N4O4S, 414.3, 4.16, -27.45, 5.18, 4.21, 5.15, 4.85, 29867 17, C20H13NO4S, 363.3, 3.54, -27.08, 4.98, 4.48, 4.98, 4.81, 37620 18, C20H17NO5, 351.2, 5.38, -29.76, 4.94, 4.63, 4.86, 4.81, 357781 19, C27H15O6Br, 515.2, 5.61, -27.29, 4.58, 4.68, 4.72, 4.66, 152186 20, C18H11NO4, 305.2, 2.74, -27.40, 4.70, 4.42, 4.71, 4.61, 145889 21, C25H17NO6, 427.3, 3.63, -27.83, 5.16, 3.30, 4.99, 4.49, 245423 22, C21H15N2O4Cl, 394.7, 3.48, -27.26, 4.59, 4.18, 4.56, 4.44, 623757 23, C23H26N2O3S, 410.3, 4.37, -26.46, 4.12, 3.47, 4.65, 4.08, 635132 24, C28H29N3O6, 503.3, 3.32, -30.95, 4.79, 2.85, 4.41, 4.01, 169174 25, C19H21NO6S, 391.3, 3.00, -31.63, 3.96, 4.32, 3.72, 4.00, 126837 26, C20H20N6O5, 424.3, 1.72, -30.61, 3.92, 3.16, 4.72, 3.93, 642563 27, C18H18N2O6SCl2, 461.2, 2.14, -27.03, 3.46, 4.41, 3.85, 3.91, 160913 28, C21H23N3O6, 413.2, 1.47, -29.16, 3.60, 3.59, 3.72, 3.64, 522619 29, C21H23N3O6, 413.2, 1.35, -28.34, 3.48, 2.50, 3.59, 3.19, 120036 30, C23H28N4O6, 456.3, 3.91, -27.82, 3.39, 2.19, 3.54, 3.04, 634765 31, C22H26N4O6S2, 506.4, 1.71, -26.47, 3.30, 2.44, 3.23, 2.99, 401080 32, C32H46N4O6, 582.4, 5.11, -27.22, 2.87, 2.09, 2.92, 2.62, 71915 33, C31H23NO6, 505.3, 5.13, -26.67, 3.91, -0.32, 1.67, 1.75, 625350 34, C32H42N4O10S2, 706.5, 3.87, -29.13, 0.00, 0.00, 0.00, 0.00, 114531 35, C27H27N9O6, 573.4, 1.07, -29.13, 0.00, 0.00, 0.00, 0.00, 633713 36, C18H22N3O9P, 455.2, -2.13, -29.06, 0.00, 0.00, 0.00, 0.00, 168199 37, C32H27N3O11S, 661.4, 4.66, -29.04, 0.00, 0.00, 0.00, 0.00, 306874 38, C20H24N2O8S4, 548.5, 1.74, -28.95, 0.00, 0.00, 0.00, 0.00, 45715 39, C21H22N7O5Br, 532.2, 1.09, -31.32, 0.00, 0.00, 0.00, 0.00, 196560 40, C30H30N4O6, 542.3, 3.09, -31.32, 0.00, 0.00, 0.00, 0.00, 333735 41, C24H28N2O8S2, 536.4, 3.88, -28.73, 0.00, 0.00, 0.00, 0.00, 266765 42, C29H40N8O9, 644.4, 1.37, -28.59, 0.00, 0.00, 0.00, 0.00, 315836 43, C27H29N3O8, 523.3, 1.96, -31.31, 0.00, 0.00, 0.00, 0.00, 94213 44, C19H22N2O8S2, 470.4, 1.49, -28.51, 0.00, 0.00, 0.00, 0.00, 31864 45, C36H38N4O8, 654.4, 3.32, -28.43, 0.00, 0.00, 0.00, 0.00, 269997 46, C10H10N2O9S3, 398.3, -2.38, -28.36, 0.00, 0.00, 0.00, 0.00, 509514 47, C20H18N4O8, 442.2, -0.71, -31.27, 0.00, 0.00, 0.00, 0.00, 83082 48, C42H52NO16, 826.4, 2.14, -28.28, 0.00, 0.00, 0.00, 0.00, 243023 49, C54H73N11O10S2, 1099.8, 1.82, -28.22, 0.00, 0.00, 0.00, 0.00, 633656 50, C18H13N2O9, 401.2, 2.55, -28.22, 0.00, 0.00, 0.00, 0.00, 647085 51, C21H24N7O7Cl, 521.7, 0.04, -28.06, 0.00, 0.00, 0.00, 0.00, 309130 52, C29H39N9O9S, 689.5, 0.86, -28.02, 0.00, 0.00, 0.00, 0.00, 341924 53, C26H30N4O8S2, 590.4, 1.83, -33.13, 0.00, 0.00, 0.00, 0.00, 161603 54, C20H24N2O8S4, 548.5, 1.74, -27.95, 0.00, 0.00, 0.00, 0.00, 46041 55, C24H19N3O7S, 493.3, 2.55, -27.93, 0.00, 0.00, 0.00, 0.00, 630720 56, C42H52NO16, 826.4, 2.14, -27.92, 0.00, 0.00, 0.00, 0.00, 62490 57, C27H43N6O8, 579.3, -0.91, -27.88, 0.00, 0.00, 0.00, 0.00, 628627 58, C19H20N6O8S2F2, 562.4, 0.13, -27.87, 0.00, 0.00, 0.00, 0.00, 106423 59, C10H9NO9S3, 383.3, -1.95, -30.71, 0.00, 0.00, 0.00, 0.00, 227195 60, C33H39N3O6S3, 669.6, 5.58, -27.83, 0.00, 0.00, 0.00, 0.00, 227277 61, C38H36N2O11, 696.4, 6.14, -32.89, 0.00, 0.00, 0.00, 0.00, 120022 62, C21H27N7O6, 473.3, 0.98, -27.73, 0.00, 0.00, 0.00, 0.00, 139490 63, C10H9NO9S3, 383.3, -1.95, -27.69, 0.00, 0.00, 0.00, 0.00, 4460 64, C22H17N3O12S3, 611.5, 0.87, -27.68, 0.00, 0.00, 0.00, 0.00, 162533 65, C42H52NO16, 826.4, 2.14, -27.63, 0.00, 0.00, 0.00, 0.00, 18335 66, C29H35N9O11, 685.4, -1.29, -27.63, 0.00, 0.00, 0.00, 0.00, 324061 67, C22H23N5O5, 437.3, 2.04, -27.59, 0.00, 0.00, 0.00, 0.00, 296652 68, C38H54N8O12, 814.5, -2.20, -27.56, 0.00, 0.00, 0.00, 0.00, 266104 69, C43H51N6O13Cl, 894.9, 1.94, -27.49, 0.00, 0.00, 0.00, 0.00, 633091 70, C16H10N10O5, 422.3, -0.07, -30.59, 0.00, 0.00, 0.00, 0.00, 614439 71, C24H28N4O4Cl2, 507.2, 7.43, -27.42, 0.00, 0.00, 0.00, 0.00, 49490 72, C32H42N4O10S2, 706.5, 3.76, -30.59, 0.00, 0.00, 0.00, 0.00, 338497 73, C17H13N3O12S2, 515.3, 0.44, -27.39, 0.00, 0.00, 0.00, 0.00, 507490 74, C25H24N8O4, 500.3, 0.37, -32.10, 0.00, 0.00, 0.00, 0.00, 71310 75, C42H42N4O20, 922.5, 6.85, -30.50, 0.00, 0.00, 0.00, 0.00, 338310 76, C38H36N2O11, 696.4, 6.14, -29.95, 0.00, 0.00, 0.00, 0.00, 407215 77, C24H26N4O8, 498.3, 0.72, -27.24, 0.00, 0.00, 0.00, 0.00, 516951 78, C10H8O10S3, 384.3, -1.54, -29.90, 0.00, 0.00, 0.00, 0.00, 37044 79, C36H31N3O5S3, 681.6, 6.14, -27.17, 0.00, 0.00, 0.00, 0.00, 304143 80, C17H15NO9S3, 473.4, 0.92, -27.16, 0.00, 0.00, 0.00, 0.00, 16168 81, C10H9NO9S3, 383.3, -2.45, -31.98, 0.00, 0.00, 0.00, 0.00, 35345 82, C15H21N3O6S, 371.2, -0.21, -29.67, 0.00, 0.00, 0.00, 0.00, 148834 83, C22H17N3O16S4, 707.5, -1.01, -27.01, 0.00, 0.00, 0.00, 0.00, 162534 84, C21H23N7O5, 453.3, 0.30, -29.67, 0.00, 0.00, 0.00, 0.00, 142034 85, C40H36N4O4, 636.4, 7.07, -26.96, 0.00, 0.00, 0.00, 0.00, 615441 86, C27H24O18, 636.3, 2.23, -29.64, 0.00, 0.00, 0.00, 0.00, 69861 87, C29H23NO8, 513.3, 4.08, -26.89, 0.00, 0.00, 0.00, 0.00, 647087 88, C14H13N3O5, 303.2, -0.44, -26.88, 0.00, 0.00, 0.00, 0.00, 646359 89, C26H30N4O8S2, 590.4, 1.83, -26.86, 0.00, 0.00, 0.00, 0.00, 638606 90, C34H31NO5, 533.4, 7.60, -26.84, 0.00, 0.00, 0.00, 0.00, 641232 91, C19H18N7O5Cl, 459.7, 0.27, -26.83, 0.00, 0.00, 0.00, 0.00, 180962 92, C42H55N7O13, 865.5, 0.94, -26.73, 0.00, 0.00, 0.00, 0.00, 651849 93, C32H19N3O4Cl2, 580.3, 7.08, -31.64, 0.00, 0.00, 0.00, 0.00, 45739 94, C13H8N3O5F3, 343.2, -0.39, -26.61, 0.00, 0.00, 0.00, 0.00, 646375 95, C38H58N4O6, 666.4, 8.95, -26.54, 0.00, 0.00, 0.00, 0.00, 100772 96, C35H37N10O10, 757.5, 7.40, -26.49, 0.00, 0.00, 0.00, 0.00, 637611 97, C52H70N7O6, 888.6, 8.25, -26.48, 0.00, 0.00, 0.00, 0.00, 95226 98, C22H16N4O8, 464.3, -0.26, -26.47, 0.00, 0.00, 0.00, 0.00, 58384 99, C51H67N7O13, 985.6, 3.70, -29.56, 0.00, 0.00, 0.00, 0.00, 642601 100, C31H37N3O4, 515.3, 6.77, -29.52, 0.00, 0.00, 0.00, 0.00, 632238 101, C33H24O8, 548.3, 4.01, -29.31, 0.00, 0.00, 0.00, 0.00, 641174 102, C36H42N4O6, 626.4, 3.30, -29.30, 0.00, 0.00, 0.00, 0.00, 322778 103, C14H12N2O8, 336.2, -1.51, -26.46, 0.00, 0.00, 0.00, 0.00, best-03 104, C16H9N2O5, 309.2, 2.25, -26.46, 0.00, 0.00, 0.00, 0.00, best-04 105, C47H72N15O11S, 1054.7, -3.53, -29.27, 0.00, 0.00, 0.00, 0.00, 619152 106, C17H21N4O9P, 456.2, -2.98, -29.17, 0.00, 0.00, 0.00, 0.00, 77360 107, C54H70N6O12, 994.6, 8.61, -34.13, 0.00, 0.00, 0.00, 0.00, 341347 108, C18H23N3O7SBr, 505.2, -2.01, -29.15, 0.00, 0.00, 0.00, 0.00, 131123