#Rank Qurey Match_nscID Match_pubchemSID Mean_logGI50 Match_RFW_TC Match_kernel_minmax Cdrug_score p_value 1 Nimbolide 309909 454861 -5.908 1.000 1.000 1.000 0 2 Etoposide 141540 427063 -5.167 1.000 1.000 1.000 0 3 Lovastatin 633781 496591 -5.103 1.000 1.000 1.000 0 4 Bortezomib 681239 518755 -8.343 1.000 1.000 1.000 0 5 Vorinostat 701852 48426290 -5.980 1.000 1.000 1.000 0 6 Flavopyridol 642740 501315 -7.253 1.000 1.000 1.000 0 7 Paclitaxel 125973 418145 -7.740 1.000 1.000 1.000 0 8 Dasatinib 732517 48429642 -6.428 1.000 1.000 1.000 0 9 Docetaxel 628503 494081 -7.656 1.000 1.000 1.000 0 10 Mitomycin 26980 87663 -6.133 1.000 1.000 1.000 0 11 15-deoxyprostaglandin J2 720093 535266 -5.464 1.000 1.000 1.000 0 12 Gemcitabine 613327 486649 -6.883 1.000 1.000 1.000 0 13 4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate 728073 48427687 -7.007 1.000 1.000 1.000 0 14 Tanespimycin 330507 574817 -6.900 1.000 1.000 1.000 0 15 Belinostat 726630 48426953 -6.749 1.000 1.000 1.000 0 16 CHEMBL1358722 185 67121 -7.277 1.000 1.000 1.000 0 17 Depsipeptide 630176 494874 -8.712 1.000 1.000 1.000 0 18 Cucurbitacin B 49451 101605 -7.863 1.000 1.000 1.000 0 19 LY-294002 697286 525433 -5.208 1.000 1.000 1.000 0 20 Fenretinide 374551 577595 -5.474 1.000 1.000 1.000 0 21 NSC 680410 680410 518343 -6.118 1.000 1.000 1.000 0 22 Camptothecin 94600 399733 -7.419 1.000 1.000 1.000 0 23 Beta-lapachone 629749 494711 -6.233 1.000 1.000 1.000 0 24 Digitoxin 7529 73375 -7.492 1.000 1.000 1.000 0 25 Phenethyl isothiocyanate 87868 124400 -6.234 1.000 1.000 1.000 0 26 Alantolactone 93131 398983 -5.218 1.000 1.000 1.000 0 27 Solamargine 407810 579376 -5.412 1.000 1.000 1.000 0 28 ACMC-20mpup 104956 405772 -5.529 1.000 1.000 1.000 0 29 Goniothalamin 104956 405772 -5.529 1.000 1.000 1.000 0 30 Plumbagin 236613 133894 -5.708 1.000 1.000 1.000 0 31 Cepharanthine 629744 494706 -5.158 1.000 1.000 1.000 0 32 N6-isopentenyladenosine 105546 301163 -5.695 1.000 1.000 1.000 0 33 tripterine 70931 114102 -7.444 1.000 1.000 1.000 0 34 Gossypol 56817 106063 -5.529 1.000 1.000 1.000 0 35 Alpha-tomatine 9223 539594 -5.809 1.000 1.000 1.000 0 36 Trifluridine 75520 117087 -5.135 1.000 1.000 1.000 0 37 Colchicine 757 67636 -7.409 1.000 1.000 1.000 0 38 Nocodazole 238159 134122 -7.410 1.000 1.000 1.000 0 39 Tamoxifen 180973 447264 -5.140 1.000 1.000 1.000 0 40 Berbamine 93135 552854 -5.172 1.000 1.000 1.000 0 41 Sunitinib 750690 91148451 -5.628 1.000 1.000 1.000 0 42 Gefitinib 715055 532631 -5.489 1.000 1.000 1.000 0 43 Suillin 625110 492207 -6.291 1.000 1.000 1.000 0 44 Nelfinavir 722664 536635 -5.413 1.000 1.000 1.000 0 45 Tetrandrine 77037 118059 -5.238 1.000 1.000 1.000 0 46 Bullatacin 609700 485635 -5.849 1.000 1.000 1.000 0 47 Combretastatin a4 609397 485522 -6.037 1.000 1.000 1.000 0 48 Anisomycin 76712 117834 -7.664 1.000 1.000 1.000 0 49 Homoharringtonine 141633 427112 -7.152 1.000 1.000 1.000 0 50 SIROLIMUS 226080 131458 -7.536 1.000 1.000 1.000 0 51 Betulinic acid 113090 410497 -5.130 1.000 1.000 1.000 0 52 MLS003389283 287459 144476 -5.694 1.000 1.000 1.000 0 53 Cytarabine 63878 549052 -5.256 1.000 1.000 1.000 0 54 Polyphyllin I 706804 529208 -6.165 1.000 1.000 1.000 0 55 temsirolimus 683864 520036 -6.835 1.000 1.000 1.000 0 56 Aclarubicin 208734 125750 -7.962 1.000 1.000 1.000 0 57 Epirubicin 123127 301181 -7.015 0.998 1.000 0.998 2.304e-05 58 Irinotecan 728073 48427687 -7.007 0.998 1.000 0.998 2.304e-05 59 Topotecan 609699 580652 -7.126 0.998 1.000 0.998 2.304e-05 60 2'-Deoxy-2',2'-difluorocytidine 613327 486649 -6.883 0.989 1.000 0.989 0.0001289 61 Vinblastine 49842 101900 -9.288 0.999 0.952 0.950 0.0006338 62 Thapsigargin 299934 572741 -5.840 1.000 0.901 0.901 0.0014 63 Antofine 19912 82656 -8.292 0.984 0.875 0.861 0.0021 64 Geldanamycin 255104 138252 -6.106 0.983 0.866 0.851 0.0023 65 CHEMBL2372235 3053 538571 -8.891 1.000 0.829 0.829 0.0028 66 Chembl165274 747971 91148447 -5.633 1.000 0.806 0.806 0.0034 67 Murihexocin C 695406 524800 -5.755 0.995 0.792 0.788 0.0039 68 eupafolin 689466 522352 -5.242 0.982 0.785 0.771 0.0044 69 Corosolic acid 167406 440986 -5.124 0.961 0.795 0.763 0.0047 70 Berberine 119754 556018 -5.855 0.997 0.750 0.748 0.0052 71 28-deoxonimbolide 309909 454861 -5.908 0.953 0.779 0.742 0.0054 72 sappanchalcone 710264 530662 -5.615 0.964 0.767 0.740 0.0054 73 Pterostilbene 631363 495359 -5.236 0.972 0.746 0.725 0.0060 74 Oleanolic_acid 167406 440986 -5.124 1.000 0.707 0.707 0.0067 75 10-decarbamoylmitomycin C 26980 87663 -6.133 0.938 0.753 0.707 0.0067 76 Noscapine 740642 91145974 -5.398 0.912 0.760 0.693 0.0073 77 Cnicin 659936 509227 -5.083 0.975 0.710 0.692 0.0074 78 CHEMBL347114 26258 87142 -6.908 1.000 0.686 0.686 0.0077 79 Curcumin 734923 48430626 -5.240 0.974 0.697 0.679 0.0080 80 Squamocin 695400 524794 -5.911 0.969 0.692 0.671 0.0084 81 Estradiol 666605 511959 -5.092 0.954 0.685 0.653 0.0094 82 eurycomanone 126764 418674 -6.530 0.944 0.660 0.623 0.0112 83 Toosendanin 299117 147797 -6.355 0.865 0.699 0.605 0.0125 84 Aloe emodin 658578 508364 -5.631 0.927 0.648 0.601 0.0128 85 Chalcone 1990 68707 -5.159 0.895 0.650 0.582 0.0144 86 Chrysophanol 194618 449669 -5.145 0.879 0.658 0.578 0.0147 87 Danthron 43970 98251 -6.447 0.928 0.615 0.571 0.0153 88 Maslinic acid 167406 440986 -5.124 0.961 0.583 0.560 0.0164 89 tetracycline CMT-3 683551 519824 -5.686 0.545 1.000 0.545 0.0179 90 Butein 710264 530662 -5.615 0.877 0.615 0.540 0.0185 91 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one 689466 522352 -5.242 0.883 0.607 0.536 0.0189 92 Quercetin 678106 517559 -5.011 0.818 0.643 0.526 0.0201 93 TANSHINONE I 618650 488815 -5.936 0.968 0.542 0.524 0.0204 94 (-)-anonaine 287451 571464 -5.233 0.955 0.537 0.512 0.0219 95 Nobiletin 642321 501111 -7.017 0.868 0.582 0.505 0.0229 96 Ginsenoside Rg3 626094 492784 -5.668 0.900 0.558 0.502 0.0233 97 23,24-Dihydrocucurbitacin B 308606 454578 -6.962 0.606 0.819 0.496 0.0242 98 Mahanine 654282 506289 -5.216 0.889 0.545 0.485 0.0259 99 Silymarin 648334 503911 -5.026 0.477 1.000 0.477 0.0273 100 cobaltiprotoporphyrin 635691 497793 -5.156 0.704 0.678 0.477 0.0273 101 Morusin 241010 134750 -5.512 0.723 0.643 0.465 0.0294 102 Costunolide 711176 531221 -5.527 0.849 0.544 0.462 0.0300 103 Inuviscolide 85237 122586 -5.195 0.906 0.500 0.453 0.0318 104 Staurosporine 618487 488656 -8.112 0.440 1.000 0.440 0.0346 105 Ergolide 129518 420387 -5.152 0.697 0.630 0.439 0.0348 106 Afimoxifene 180973 447264 -5.140 0.772 0.567 0.438 0.0350 107 Andrographolide 747447 131408624 -5.426 0.779 0.538 0.419 0.0397 108 Luteolin 689466 522352 -5.242 0.785 0.534 0.419 0.0397 109 Xanthohumol 51351 102784 -5.276 0.922 0.454 0.418 0.0400 110 Resveratrol 4184 70559 -5.411 0.693 0.597 0.414 0.0410 111 Kaempferol 641548 500809 -4.983 0.794 0.517 0.411 0.0419 112 tsIns(3,4)P2 626094 492784 -5.668 0.734 0.558 0.409 0.0424 113 18-beta-Glycyrrhetic acid 167406 440986 -5.124 0.736 0.546 0.402 0.0445 114 Deguelin 26258 87142 -6.908 0.555 0.723 0.401 0.0448 115 Equol 600285 483144 -4.768 0.757 0.520 0.393 0.0473 116 Fisetin 102057 404765 -5.263 0.810 0.484 0.392 0.0477 117 Baicalein 689466 522352 -5.242 0.782 0.483 0.378 0.0525 118 Alpinumisoflavone 5113 71273 -5.730 0.726 0.514 0.373 0.0544 119 grifolin 625110 492207 -6.291 0.671 0.556 0.373 0.0544 120 obacunone 113497 410685 -5.062 0.599 0.619 0.371 0.0552 121 Limonin 113497 410685 -5.062 0.668 0.545 0.364 0.0580 122 longilactone 267707 570087 -5.151 0.842 0.431 0.363 0.0584 123 Hyperforin 711978 531644 -5.272 0.617 0.572 0.353 0.0628 124 Galangin 641548 500809 -4.983 0.778 0.451 0.350 0.0642 125 Diosgenin 711181 531224 -5.808 0.644 0.538 0.346 0.0661 126 wogonin 689466 522352 -5.242 0.717 0.467 0.335 0.0717 127 Glaucocalyxin A 637460 498752 -5.503 0.643 0.515 0.331 0.0739 128 Farnesol 700514 527032 -5.243 0.544 0.609 0.331 0.0739 129 Poly I-C 708446 529826 -5.606 0.750 0.438 0.328 0.0756 130 Niclosamide 82020 120816 -5.765 0.579 0.553 0.320 0.0803 131 Indole-3-carbinol 631390 495386 -5.281 0.736 0.429 0.316 0.0828 132 Bisindolylmaleimide ix 724626 537698 -7.014 0.688 0.441 0.303 0.0916 133 CHEMBL316139 35753 92665 -5.034 0.668 0.452 0.302 0.0924 134 Naringenin 720872 535801 -5.152 0.720 0.418 0.301 0.0931 135 3,3',4,5'-tetrahydroxystilbene 381864 470675 -5.178 0.725 0.410 0.297 0.0961 136 Tectorigenin 641548 500809 -4.983 0.635 0.468 0.297 0.0961 137 (-)-Epicatechin 720872 535801 -5.152 0.703 0.419 0.295 0.0976 138 Hyperforin dicyclohexylammonium 711978 531644 -5.272 0.593 0.492 0.292 0.1000 139 Apigenin 737144 48431407 -5.137 0.688 0.424 0.292 0.1000 140 Licochalcone A 709097 530128 -5.843 0.755 0.383 0.289 0.1024 141 AGN-PC-005GX6 747885 131408428 -5.589 0.752 0.385 0.289 0.1024 142 CHEMBL218382 659853 509212 -5.605 0.572 0.500 0.286 0.1050 143 Zhankuic acid A 688223 521901 -5.918 0.649 0.434 0.282 0.1084 144 Pinocembrin 720872 535801 -5.152 0.731 0.385 0.281 0.1093 145 Biochanin 726392 48426800 -5.477 0.676 0.404 0.273 0.1167 146 Imatinib 747599 91148446 -5.535 0.531 0.490 0.260 0.1302 147 Zhankuic acid C 688223 521901 -5.918 0.607 0.424 0.258 0.1324 148 Daidzein 726392 48426800 -5.477 0.658 0.387 0.255 0.1358 149 Methyl zhankuic acid A 688223 521901 -5.918 0.600 0.424 0.255 0.1358 150 atranorin 646005 502843 -5.080 0.893 0.286 0.255 0.1358 151 Melatonin 710616 530932 -5.734 0.608 0.414 0.252 0.1394 152 Liquiritigenin 720872 535801 -5.152 0.714 0.340 0.243 0.1507 153 Grassystatin a 690969 522882 -8.165 0.513 0.472 0.242 0.1520 154 Tocopherols 627786 493722 -5.246 0.957 0.250 0.239 0.1560 155 gamma-Tocopherol 627786 493722 -5.246 0.957 0.250 0.239 0.1560 156 16-hydroxycleroda-3,13(14)-dien-15,16-olide 661428 509731 -6.014 0.592 0.388 0.230 0.1690 157 naphtho(1,2-b)furan-4,5-dione 628930 494298 -5.466 0.742 0.310 0.230 0.1690 158 Isoangustone a 710342 530722 -5.117 0.432 0.523 0.226 0.1752 159 fulvestrant 737524 48431482 -5.211 0.611 0.364 0.222 0.1816 160 CHEMBL23226 744338 91147372 -6.279 0.606 0.366 0.222 0.1816 161 Sesamin 701561 527379 -7.594 0.589 0.375 0.221 0.1833 162 6-Gingerol 659853 509212 -5.605 0.636 0.344 0.219 0.1867 163 Vitamin e 627786 493722 -5.246 0.860 0.253 0.218 0.1884 164 Epicatechin gallate 706482 529178 -5.027 0.482 0.453 0.218 0.1884 165 PURVALANOLA 736738 48431270 -5.480 0.474 0.459 0.218 0.1884 166 ALPHA-ENDOSULFAN 22205 84419 -5.375 0.531 0.407 0.217 0.1901 167 Alpha-Curcumene 626876 493178 -5.160 0.500 0.425 0.212 0.1990 168 4-methylene-2-octyl-5-oxofuran-3-carboxylic acid 85238 122587 -5.155 0.684 0.301 0.206 0.2104 169 Poncirin 5159 538981 -5.766 0.478 0.427 0.204 0.2144 170 Baicalin 639832 499864 -7.082 0.622 0.326 0.203 0.2164 171 procyanidin B2 706480 529176 -5.005 0.501 0.401 0.201 0.2205 172 Epigallocatechin gallate 720872 535801 -5.152 0.619 0.323 0.200 0.2226 173 Alpha-Mangostin 710342 530722 -5.117 0.402 0.489 0.196 0.2311 174 Geraniol 700514 527032 -5.243 0.498 0.391 0.195 0.2333 175 AC1L45LX 75783 117232 -5.438 0.656 0.293 0.193 0.2378 176 Beta-Ionone 374551 577595 -5.474 0.516 0.372 0.192 0.2401 177 Naringin 709380 530234 -5.713 0.446 0.431 0.192 0.2401 178 3,6-Epidioxy-1,10-bisaboladiene 682148 519177 -5.393 0.593 0.323 0.191 0.2424 179 Shogaol 630004 494819 -5.286 0.546 0.342 0.187 0.2518 180 Cinnamaldehyde 382767 470979 -5.414 0.426 0.440 0.187 0.2518 181 CHEMBL192959 733625 48430125 -5.948 0.549 0.335 0.184 0.2592 182 Genistein 726392 48426800 -5.477 0.625 0.293 0.183 0.2617 183 baohuoside I 5159 538981 -5.766 0.480 0.376 0.181 0.2668 184 Azadirachtin 267709 570088 -7.289 0.522 0.342 0.178 0.2747 185 Theaflavin 720872 535801 -5.152 0.613 0.289 0.177 0.2774 186 Matrine 194126 565223 -5.642 0.783 0.224 0.176 0.2801 187 Rubimaillin 700280 526889 -5.167 0.617 0.286 0.176 0.2801 188 Clivoline 354051 576261 -5.336 0.543 0.324 0.176 0.2801 189 Narirutin 7530 73376 -7.246 0.446 0.391 0.174 0.2856 190 benzoquinone 251682 137483 -5.382 0.666 0.260 0.173 0.2884 191 Dronabinol 731589 48429151 -5.304 0.560 0.306 0.171 0.2941 192 DDT 142496 427637 -5.625 0.430 0.395 0.170 0.2970 193 ICARISIDE II 5159 538981 -5.766 0.453 0.376 0.170 0.2970 194 Kaempferol-7-O-beta-d-glucoside 666126 511584 -5.392 0.596 0.286 0.170 0.2970 195 CHEMBL152133 726630 48426953 -6.749 0.568 0.294 0.167 0.3059 196 Chamaecypanone C 711978 531644 -5.272 0.610 0.270 0.165 0.3120 197 panduratin A 711978 531644 -5.272 0.411 0.396 0.163 0.3182 198 N-acetylsphingosine 696673 525138 -5.760 0.597 0.272 0.162 0.3214 199 HU 211 627786 493722 -5.246 0.535 0.299 0.160 0.3278 200 beta-caryophyllene oxide 690290 522631 -5.777 0.638 0.245 0.156 0.3411 201 Manumycin 330507 574817 -6.900 0.474 0.330 0.156 0.3411 202 Rosmanol 719244 534962 -5.740 0.268 0.565 0.152 0.3550 203 Cetrorelix trifluoroacetate 692753 523684 -6.884 0.436 0.348 0.152 0.3550 204 CHEMBL237310 620126 489604 -5.374 0.464 0.313 0.145 0.3808 205 Melitten 692753 523684 -6.884 0.471 0.306 0.144 0.3846 206 Scopoletin 689466 522352 -5.242 0.443 0.326 0.144 0.3846 207 CHEMBL34704 735165 48430700 -5.470 0.619 0.231 0.143 0.3885 208 Puerarin 734926 48430629 -6.691 0.423 0.336 0.142 0.3924 209 Orlistat 695409 524803 -5.311 0.421 0.333 0.140 0.4003 210 Troglitazone 627786 493722 -5.246 0.562 0.245 0.138 0.4085 211 Celecoxib 731805 48429235 -5.067 0.349 0.392 0.137 0.4126 212 24-epibrassinolide 720384 535457 -5.859 0.568 0.230 0.131 0.4382 213 Linalool 703216 527974 -5.291 0.525 0.240 0.126 0.4607 214 CHEMBL140808 735422 48430816 -7.136 0.340 0.371 0.126 0.4607 215 Capsaicin 704969 528672 -5.108 0.525 0.239 0.125 0.4653 216 CHEMBL143147 735422 48430816 -7.136 0.343 0.366 0.125 0.4653 217 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide 659853 509212 -5.605 0.361 0.337 0.122 0.4795 218 CHEMBL185356 744338 91147372 -6.279 0.526 0.227 0.120 0.4892 219 CHEMBL330535 744338 91147372 -6.279 0.284 0.422 0.120 0.4892 220 CHEMBL60190 717824 534350 -4.916 0.403 0.289 0.117 0.5040 221 2,5-dimethylcelecoxib 731805 48429235 -5.067 0.324 0.362 0.117 0.5040 222 Honokiol 603555 483931 -5.281 0.412 0.281 0.116 0.5090 223 Ritonavir 376128 469333 -8.934 0.416 0.275 0.115 0.5140 224 CHEMBL1329826 689466 522352 -5.242 0.347 0.328 0.114 0.5191 225 AC1OCV1V 708248 529762 -8.417 0.507 0.224 0.114 0.5191 226 anthra(1,9-cd)pyrazol-6(2H)-one 647348 503498 -5.409 0.354 0.320 0.113 0.5243 227 CHEMBL597754 288010 571500 -5.306 0.574 0.197 0.113 0.5243 228 CHEMBL62993 717824 534350 -4.916 0.363 0.296 0.108 0.5506 229 Ellagic acid 688259 521936 -5.202 0.354 0.301 0.106 0.5614 230 Dehydroxymethylepoxyquinomicin 720382 535455 -5.486 0.434 0.242 0.105 0.5669 231 28-homocastasterone 234714 301213 -4.951 0.477 0.217 0.103 0.5779 232 Ciprofloxacin 731095 48428913 -4.791 0.339 0.297 0.101 0.5891 233 pyrithione zinc 669393 582034 -5.882 0.293 0.327 0.096 0.6177 234 cilostazol 664999 510947 -5.223 0.272 0.350 0.095 0.6235 235 Trichostatin 374551 577595 -5.474 0.404 0.234 0.094 0.6293 236 trichostatin A 374551 577595 -5.474 0.404 0.234 0.094 0.6293 237 Thymol 30712 89839 -5.320 0.249 0.368 0.092 0.6411 238 Cerivastatin 654289 506296 -5.214 0.351 0.255 0.090 0.6529 239 Butylated hydroxyanisole 688275 521946 -5.048 0.332 0.269 0.089 0.6589 240 Navitoclax 636676 498229 -5.514 0.379 0.231 0.088 0.6649 241 Ochratoxin a 716056 533347 -5.464 0.333 0.256 0.085 0.6829 242 Bupivacaine hydrochloride 669356 513140 -8.753 0.320 0.264 0.085 0.6829 243 Sulfasalazine 251682 137483 -5.382 0.539 0.150 0.081 0.7072 244 Fludioxonil 93681 399320 -5.325 0.406 0.194 0.079 0.7193 245 PtsIns(3,4)P2 708446 529826 -5.606 0.404 0.193 0.078 0.7254 246 PIPP 708446 529826 -5.606 0.404 0.193 0.078 0.7254 247 AGN-PC-09SGZ3 628441 494052 -6.942 0.273 0.262 0.072 0.7619 248 CHEMBL376408 640674 500283 -5.621 0.222 0.313 0.069 0.7799 249 styrene oxide 409749 479173 -5.204 0.244 0.279 0.068 0.7859 250 CHEMBL196215 667047 512125 -6.805 0.396 0.161 0.064 0.8095 251 HCV 796 709581 530403 -5.552 0.226 0.255 0.058 0.8435 252 Bicalutamide 634401 496989 -5.081 0.316 0.179 0.057 0.8490 253 CHEMBL180263 122870 556680 -6.551 0.226 0.234 0.053 0.8702 254 Sulforafan 87868 124400 -6.234 0.187 0.260 0.049 0.8902 255 Carboplatin 29070 88852 -5.343 0.157 0.203 0.032 0.9566 256 oxophenylarsine 48300 100912 -6.105 0.271 0.115 0.031 0.9594 257 Ziram 4114 70506 -4.964 0.209 0.132 0.028 0.9672 258 Maneb 4114 70506 -4.964 0.220 0.119 0.026 0.9717 259 Zineb 4114 70506 -4.964 0.213 0.119 0.025 0.9738 260 S-allylmercaptocysteine 109825 408914 -5.268 0.137 0.178 0.024 0.9757 261 Allicin 89074 396437 -5.097 0.386 0.063 0.024 0.9757 262 57248-88-1 669270 513070 -5.152 0.191 0.120 0.023 0.9776 263 Mancozeb 4114 70506 -4.964 0.205 0.105 0.022 0.9793 264 Methylnitronitrosoguanidine 157073 561211 -5.402 0.100 0.219 0.022 0.9793 265 Diallyldisulfide 748641 131408161 -5.617 0.103 0.148 0.015 0.9884 266 nickel acetate 696862 525202 -4.882 0.077 0.182 0.014 0.9893 267 Metformin 3080 538585 -4.998 0.062 0.182 0.011 0.9916 268 Nickel sulfate 1510 68310 -5.985 0.027 0.158 0.004 0.9947 269 Zinc Sulfate 1510 68310 -5.985 0.026 0.158 0.004 0.9947 270 Mercuric Chloride 174163 563587 -5.655 0.151 0.025 0.004 0.9947 271 methylarsonous acid 48300 100912 -6.105 0.076 0.029 0.002 0.9951 272 AGN-PC-00IJS0 62857 548964 -5.116 0.018 0.091 0.002 0.9951 273 Sodium arsenite 48300 100912 -6.105 0.019 0.030 0.001 0.9953 274 Caswell No. 059 734923 48430626 -5.240 0.974 0.697 0.000 0.9955 275 Arsenite 48300 100912 -6.105 0.011 0.045 0.000 0.9955 276 Zinc 613327 486649 -6.883 1.000 1.000 0.000 0.9955 277 Arsenic 167406 440986 -5.124 0.961 0.583 0.000 0.9955 278 chromic acid 330507 574817 -6.900 1.000 1.000 0.000 0.9955 279 Chromium 330507 574817 -6.900 1.000 1.000 0.000 0.9955 280 Titanium dioxide 26258 87142 -6.908 0.555 0.723 0.000 0.9955 281 Silver 641548 500809 -4.983 0.794 0.517 0.000 0.9955 282 Arsenic disulfide 142496 427637 -5.625 0.430 0.395 0.000 0.9955 283 Copper 113497 410685 -5.062 0.599 0.619 0.000 0.9955 284 Calo-Gran 174163 563587 -5.655 0.151 0.025 0.000 0.9955 285 Manganese 85237 122586 -5.195 0.906 0.500 0.000 0.9955 286 Ruthenium 26980 87663 -6.133 0.938 0.753 0.000 0.9955 287 Zinc Oxide 113090 410497 -5.130 1.000 1.000 0.000 0.9955 288 Nickel(2+) 382767 470979 -5.414 0.426 0.440 0.000 0.9955