target name atc score_pharm3D score_tanimoto best rank category classification
DB00114 Pyridoxal-phosphate A11HA06 NA -30.482 -30.482 1353.0 Other Approved
DB00118 Ademetionine A16AA02 -46.692 -38.718 -46.692 349.0 Other Approved
DB00120 Phenylalanine NA -18.184 -26.093000000000004 -26.093000000000004 1612.0 NA Approved
DB00121 Biotin A11HA05 -30.455 -28.43 -30.455 1356.0 Other Approved
DB00122 Choline NA -14.798 -15.923 -15.923 1988.0 NA Approved
DB00123 L-Lysine B05XB03 -26.573 -25.604 -26.573 1588.0 Other Approved
DB00126 Vitamin-C G01AD03,A11GA01,A11GB01,S01XA15 -16.042 -17.789 -17.789 1947.0 Other Approved
DB00128 Aspartic-acid NA -27.707 -18.932 -27.707 1515.0 NA Approved
DB00129 Ornithine A05BA06 -23.869 -21.264 -23.869 1711.0 Other Approved
DB00130 L-Glutamine A16AA03 -13.841 -20.862 -20.862 1863.0 Other Approved
DB00131 Adenosine-phosphate NA -40.749 -36.196 -40.749 715.0 NA Approved
DB00132 Linolenic-acid NA -45.624 -44.416 -45.624 405.0 NA Approved
DB00134 Methionine V03AB26 -15.576 -22.673 -22.673 1783.0 Other Approved
DB00135 Tyrosine NA -19.498 -24.012 -24.012 1705.0 NA Approved
DB00136 Calcitriol D05AX03,A11CC04 -42.13399999999999 -40.317 -42.13399999999999 631.0 Other Approved
DB00137 Lutein NA -37.751 -33.961 -37.751 908.0 NA Approved
DB00138 Cystine NA -23.372 -28.672 -28.672 1474.0 NA Approved
DB00139 Succinic-acid NA -21.384 -28.92 -28.92 1457.0 NA Approved
DB00140 Riboflavin A11HA04,S01XA26 -40.712 -37.659 -40.712 719.0 Other Approved
DB00141 N-Acetylglucosamine NA -21.743 -20.999 -21.743 1827.0 NA Approved
DB00142 Glutamic-acid A09AB01 -22.849 -20.759 -22.849 1771.0 Other Approved
DB00143 Glutathione V03AB32 -39.557 -31.982 -39.557 796.0 Other Approved
DB00144 Phosphatidyl-serine NA -42.398 -40.238 -42.398 611.0 NA Approved
DB00146 Calcifediol A11CC06 -40.331 -41.861 -41.861 645.0 Other Approved
DB00148 Creatine NA -18.58 -19.069000000000006 -19.069000000000006 1912.0 NA Approved
DB00150 Tryptophan N06AX02 -24.407 -27.926 -27.926 1508.0 Other Approved
DB00151 Cysteine NA -14.652 -15.952 -15.952 1987.0 NA Approved
DB00152 Thiamine A11DA01 -22.156 -32.316 -32.316 1256.0 Other Approved
DB00153 Ergocalciferol A11CC01 -41.628 -39.865 -41.628 663.0 Other Approved
DB00155 Citrulline NA -21.653 -24.737 -24.737 1676.0 NA Approved
DB00156 Threonine NA -19.601 -15.719 -19.601 1899.0 NA Approved
DB00157 NADH NA -46.973 -41.782 -46.973 340.0 NA Approved
DB00158 Folic-acid B03AE02,B03BB01,B03AE01,B03BB51 -44.25 -28.349 -44.25 507.0 Other Approved
DB00159 Icosapent NA -46.82 -40.486 -46.82 345.0 NA Approved
DB00161 Valine NA -19.534 -16.92 -19.534 1901.0 NA Approved
DB00162 Vitamin-A V04CB01,S01XA02,D10AD02,R01AX02,A11CA01 -35.434 -37.119 -37.119 949.0 Other Approved
DB00163 Vitamin-E NA -45.917 -39.871 -45.917 391.0 NA Approved
DB00165 Pyridoxine J04AM08,A11HA02 -18.042 -21.0 -21.0 1859.0 Antiinfectives Approved
DB00166 Lipoic-acid A16AX01 -23.492 -30.202 -30.202 1373.0 Other Approved
DB00169 Vitamin-D3 M05BB09,M05BX53,M05BB07,M05BB08,A11CC55,M05BB05,A11CC05,M05BB03,M05BB04 -42.442 -39.223 -42.442 608.0 Other Approved
DB00170 Menadione B02BA02 -18.316 -15.627 -18.316 1934.0 Other Approved
DB00173 Adenine NA -2.111 -19.951 -19.951 1888.0 NA Approved
DB00174 Asparagine NA -16.570999999999998 -22.997 -22.997 1763.0 NA Approved
DB00175 Pravastatin C10AA03,C10BA03,C10BX02 -42.557 -47.677 -47.677 303.0 Other Approved
DB00176 Fluvoxamine N06AB08 -23.408 -40.418 -40.418 739.0 Other Approved
DB00177 Valsartan C09DX05,C10BX10,C09DA03,C09CA03,C09DX02,C09DX01,C09DB08,C09DB01,C09DX04 -49.108 -53.21 -53.21 104.0 Other Approved
DB00178 Ramipril C09BX03,C10BX04,C09BB07,C10BX06,C09BB05,C09BA05,C09AA05 -45.587 -47.592 -47.592 308.0 Other Approved
DB00179 Masoprocol L01XX10 -34.26 -31.786 -34.26 1134.0 Other Approved
DB00180 Flunisolide R01AD04,R03BA03 -39.613 -38.762 -39.613 793.0 Other Approved
DB00181 Baclofen M03BX01 -24.42 -27.941 -27.941 1506.0 Other Approved
DB00182 Amphetamine N06BA01 -19.621 -23.872 -23.872 1710.0 Other Approved
DB00184 Nicotine N07BA01 -20.337 -21.946 -21.946 1819.0 Other Approved
DB00185 Cevimeline N07AX03 -21.1 -15.316 -21.1 1856.0 Other Approved
DB00186 Lorazepam N05BA56,N05BA06 -29.514 -32.059 -32.059 1271.0 Other Approved
DB00187 Esmolol C07AB09 -29.272 -23.574 -29.272 1436.0 Other Approved
DB00189 Ethchlorvynol N05CM08 -13.623 -15.999 -15.999 1986.0 Other Approved
DB00190 Carbidopa NA -26.915 -27.413 -27.413 1536.0 NA Approved
DB00191 Phentermine A08AA01 -20.001 -22.164 -22.164 1808.0 Other Approved
DB00192 Indecainide NA -31.755 -36.791 -36.791 971.0 NA Approved
DB00193 Tramadol N02AJ13,N02AJ14,N02AX02 -28.327 -28.847 -28.847 1465.0 Other Approved
DB00194 Vidarabine J05AB03,S01AD06 -28.025 -25.231 -28.025 1504.0 Antivirals Approved
DB00195 Betaxolol S01ED02,C07AB05,S01ED52 -33.46 -25.396 -33.46 1189.0 Other Approved
DB00196 Fluconazole J01RA07,J02AC01,D01AC15 -29.742 -31.149 -31.149 1315.0 Antiinfectives Approved
DB00197 Troglitazone A10BG01 -41.614 -37.306 -41.614 666.0 Other Approved
DB00198 Oseltamivir J05AH02 -35.775 -34.15 -35.775 1036.0 Antivirals Approved
DB00199 Erythromycin J01FA01,D10AF02,S01AA17,D10AF52 -44.358 -50.326 -50.326 177.0 Antiinfectives Approved
DB00201 Caffeine R03DA20,V04CG30,N06BC01 -4.918 -21.219 -21.219 1852.0 Other Approved
DB00202 Succinylcholine M03AB01 -22.836 -30.138 -30.138 1375.0 Other Approved
DB00203 Sildenafil G01AE10,G04BE03 -51.849 -34.042 -51.849 133.0 Other Approved
DB00204 Dofetilide C01BD04 -40.823 -38.215 -40.823 710.0 Other Approved
DB00205 Pyrimethamine P01BD01,P01BD51,P01BF04 -25.582 -20.763 -25.582 1642.0 Other Approved
DB00206 Reserpine C02LA51,C02AA02,C02LA01,C02LA71,C02AA52 -45.551 -49.68 -49.68 199.0 Other Approved
DB00207 Azithromycin J01RA07,S01AA26,J01FA10 -47.805 -52.452 -52.452 119.0 Antiinfectives Approved
DB00208 Ticlopidine B01AC05 -30.051 -27.46 -30.051 1379.0 Other Approved
DB00209 Trospium A03DA06,G04BD09 -41.87 -44.87 -44.87 469.0 Other Approved
DB00210 Adapalene D10AD03,D10AD53 -38.874 -33.695 -38.874 835.0 Other Approved
DB00211 Midodrine C01CA17 -37.055 -34.006 -37.055 956.0 Other Approved
DB00213 Pantoprazole A02BD11,A02BD04,A02BC02 -25.497 -30.459 -30.459 1355.0 Other Approved
DB00214 Torasemide C03CA04,G01AE10 -35.271 -35.826 -35.826 1034.0 Other Approved
DB00215 Citalopram N06AB04 -37.619 -41.41 -41.41 672.0 Other Approved
DB00216 Eletriptan N02CC06 -41.19 -42.773 -42.773 591.0 Other Approved
DB00217 Bethanidine C02CC01 -23.611 -19.827 -23.611 1727.0 Other Approved
DB00218 Moxifloxacin S01AE07,J01MA14 -41.872 -33.683 -41.872 644.0 Antiinfectives Approved
DB00219 Oxyphenonium A03AB53,A03AB03 -35.139 -32.811 -35.139 1072.0 Other Approved
DB00220 Nelfinavir J05AE04 -53.702 -44.378 -53.702 96.0 Protease-Inhibitors Approved
DB00221 Isoetharine NA -28.298 -27.151 -28.298 1491.0 NA Approved
DB00222 Glimepiride A10BD04,A10BB12,A10BD06 -44.721 -39.28 -44.721 477.0 Other Approved
DB00223 Diflorasone D07AC10 -34.853 -25.135 -34.853 1087.0 Other Approved
DB00224 Indinavir J05AE02 -59.839 -52.69 -59.839 12.0 Protease-Inhibitors Approved
DB00226 Guanadrel NA -19.402 -19.285 -19.402 1904.0 NA Approved
DB00227 Lovastatin C10AA02,C10BA01 -44.232 -42.385 -44.232 508.0 Other Approved
DB00228 Enflurane N01AB04 -12.462 -18.166 -18.166 1938.0 Other Approved
DB00229 Cefotiam J01DC07 -57.771 -49.901 -57.771 31.0 Antiinfectives Approved
DB00230 Pregabalin N03AX16 -28.235 -25.5 -28.235 1495.0 Other Approved
DB00231 Temazepam N05CD07 -31.41 -31.709 -31.709 1293.0 Other Approved
DB00232 Methyclothiazide C03AA08,C03AB08,G01AE10 -24.745 -16.984 -24.745 1675.0 Other Approved
DB00233 Aminosalicylic-acid J04AA02,J04AA03,J04AA01 -16.41 -21.405 -21.405 1847.0 Antiinfectives Approved
DB00234 Reboxetine N06AX18 -27.403 -32.562 -32.562 1236.0 Other Approved
DB00235 Milrinone C01CE02 -18.054 -23.828000000000007 -23.828000000000007 1713.0 Other Approved
DB00236 Pipobroman L01AX02 -26.941 -21.536 -26.941 1569.0 Other Approved
DB00237 Butabarbital NA -18.555 -16.21 -18.555 1928.0 NA Approved
DB00238 Nevirapine J05AG01,J05AR05,J05AR07 -26.551 -19.929 -26.551 1589.0 Antivirals Approved
DB00239 Oxiconazole D01AC11,G01AF17,G01AF20 -43.722 -40.881 -43.722 539.0 Other Approved
DB00240 Alclometasone D07AB10,S01BA10 -38.014 -27.327 -38.014 886.0 Other Approved
DB00241 Butalbital N05CB01 -24.214 -3.085 -24.214 1700.0 Other Approved
DB00242 Cladribine L04AA40,L01BB04 -26.274 -26.228 -26.274 1607.0 Other Approved
DB00243 Ranolazine C01EB18 -35.184 -21.392 -35.184 1068.0 Other Approved
DB00244 Mesalazine A07EC02 -15.732 -22.759 -22.759 1779.0 Other Approved
DB00245 Benzatropine N04AC01 -35.172 -39.607 -39.607 794.0 Other Approved
DB00246 Ziprasidone N05AE04 -44.668 -25.878 -44.668 484.0 Other Approved
DB00247 Methysergide N02CA04 -37.612 -41.206 -41.206 684.0 Other Approved
DB00248 Cabergoline N04BC06,G02CB03 -47.972 -55.371 -55.371 60.0 Other Approved
DB00249 Idoxuridine J05AB02,D06BB01,S01AD01 -26.857 -26.017 -26.857 1575.0 Antivirals Approved
DB00250 Dapsone D10AX05,J04BA02 -11.636 -25.785 -25.785 1632.0 Antiinfectives Approved
DB00251 Terconazole G01AG02 -48.049 -34.007 -48.049 280.0 Other Approved
DB00252 Phenytoin N03AB02,N03AB52 -23.88 -29.018 -29.018 1451.0 Other Approved
DB00253 Medrysone S01BA08 -31.92 -24.463 -31.92 1276.0 Other Approved
DB00254 Doxycycline J01AA02,A01AB22,J01AA20 -44.582 -41.687 -44.582 488.0 Antiinfectives Approved
DB00255 Diethylstilbestrol L02AA04,L02AA01,G03CC05,G03CB02 -28.846 -27.464 -28.846 1466.0 Other Approved
DB00256 Lymecycline J01AA04,J01AA20 -58.238 -48.051 -58.238 27.0 Antiinfectives Approved
DB00257 Clotrimazole D01AC01,A01AB18,G01AF02,G01AF20 -35.847 -31.17 -35.847 1033.0 Other Approved
DB00259 Sulfanilamide G01AE10,J01EB06,D06BA05 -11.024 -16.555 -16.555 1975.0 Antiinfectives Approved
DB00260 Cycloserine J04AB01 -19.354 -5.434 -19.354 1907.0 Antiinfectives Approved
DB00261 Anagrelide L01XX35 -17.208 -23.708 -23.708 1722.0 Other Approved
DB00262 Carmustine L01AD01 -21.384 -22.03 -22.03 1816.0 Other Approved
DB00263 Sulfisoxazole J01EB05,S01AB02,G01AE10 -28.997 -25.045 -28.997 1455.0 Antiinfectives Approved
DB00264 Metoprolol C07FB02,C07FX05,C07FX03,C07FB13,C07AB02,C07BB52,C07CB02,C07BB02 -26.121 -30.285 -30.285 1363.0 Other Approved
DB00265 Crotamiton NA -23.452 -18.135 -23.452 1739.0 NA Approved
DB00266 Dicoumarol B01AA01 -42.447 -32.488 -42.447 607.0 Other Approved
DB00267 Cefmenoxime J01DD05 -48.105 -46.825 -48.105 278.0 Antiinfectives Approved
DB00268 Ropinirole N04BC04 -37.777 -34.808 -37.777 906.0 Other Approved
DB00270 Isradipine C08CA03 -36.145 -34.613 -36.145 1019.0 Other Approved
DB00271 Diatrizoate V08AA01 -22.565 -17.316 -22.565 1787.0 Other Approved
DB00272 Betazole V04CG02 -12.417 -19.127 -19.127 1910.0 Other Approved
DB00273 Topiramate N03AX11 -23.849 -31.366 -31.366 1303.0 Other Approved
DB00274 Cefmetazole J01DC09 -42.222 -40.94 -42.222 620.0 Antiinfectives Approved
DB00275 Olmesartan C09DA08,C09DX03,C09CA08,C09DB02 -49.44 -54.081 -54.081 86.0 Other Approved
DB00276 Amsacrine L01XX01 -20.56 -36.952 -36.952 963.0 Other Approved
DB00277 Theophylline R03DA54,R03DA74,R03DA20,R03DA04,R03DB04 -22.22 -23.56 -23.56 1733.0 Other Approved
DB00278 Argatroban B01AE03 -49.779 -40.353 -49.779 194.0 Other Approved
DB00279 Liothyronine H03AA03,H03AA02 -39.665 -31.041 -39.665 789.0 Other Approved
DB00280 Disopyramide C01BA03 -38.436 -37.809 -38.436 859.0 Other Approved
DB00281 Lidocaine S01HA07,D04AB01,R02AD02,C01BB01,S02DA01,N01BB52,C05AD01,N01BB02 -23.609 -19.29 -23.609 1728.0 Other Approved
DB00282 Pamidronic-acid M05BA03 -23.62 -27.425 -27.425 1533.0 Other Approved
DB00283 Clemastine D04AA14,R06AA54,R06AA04 -36.682 -42.633 -42.633 598.0 Other Approved
DB00284 Acarbose A10BD17,A10BF01 -44.534 -45.432 -45.432 419.0 Other Approved
DB00285 Venlafaxine N06AX16 -30.467 -30.382 -30.467 1354.0 Other Approved
DB00287 Travoprost S01EE04 -47.757 -22.523000000000003 -47.757 299.0 Other Approved
DB00288 Amcinonide D07AC11 -46.08 -42.539 -46.08 381.0 Other Approved
DB00289 Atomoxetine N06BA09 -34.721 -34.624 -34.721 1093.0 Other Approved
DB00291 Chlorambucil L01AA02 -42.628 -35.267 -42.628 599.0 Other Approved
DB00292 Etomidate N01AX07 -29.064 -30.779 -30.779 1337.0 Other Approved
DB00293 Raltitrexed L01BA03 -56.789 -36.457 -56.789 40.0 Other Approved
DB00294 Etonogestrel G03AC08 -37.329 -27.707 -37.329 937.0 Other Approved
DB00295 Morphine A07DA52,N02AA51,N02AA01,N02AG01 -23.025 -23.712 -23.712 1721.0 Other Approved
DB00296 Ropivacaine N01BB09 -27.506 -23.722 -27.506 1527.0 Other Approved
DB00297 Bupivacaine N01BB01,N01BB51 -32.986 -26.854 -32.986 1213.0 Other Approved
DB00298 Dapiprazole S01EX02 -37.702 -24.578000000000007 -37.702 910.0 Other Approved
DB00299 Penciclovir D06BB06,J05AB13 -34.115 -31.557 -34.115 1143.0 Antivirals Approved
DB00300 Tenofovir-disoproxil J05AR09,J05AR12,J05AR24,J05AR06,J05AF07,J05AR03,J05AR08,J05AR11 -44.396 -43.052 -44.396 498.0 Antivirals Approved
DB00301 Flucloxacillin J01CR50,J01CF05 -45.172 -42.99 -45.172 445.0 Antiinfectives Approved
DB00302 Tranexamic-acid B02AA02 -16.714000000000002 -29.657 -29.657 1411.0 Other Approved
DB00303 Ertapenem J01DH03 -47.774 -62.967 -62.967 7.0 Antiinfectives Approved
DB00304 Desogestrel G03AC09,G03FB10,G03AB05,G03AA09 -31.095 -20.413 -31.095 1318.0 Other Approved
DB00305 Mitomycin L01DC03 -30.04 -22.229 -30.04 1380.0 Other Approved
DB00306 Talbutal N05CA07 -23.193 -13.122 -23.193 1749.0 Other Approved
DB00307 Bexarotene L01XX25 -44.212 -51.188 -51.188 147.0 Other Approved
DB00308 Ibutilide C01BD05 -37.558 -31.942 -37.558 919.0 Other Approved
DB00310 Chlorthalidone G01AE10,C03EA06,C03BB04,C03BA04 -36.868 -33.832 -36.868 964.0 Other Approved
DB00312 Pentobarbital N05CB01,N05CA01 -18.165 -10.22 -18.165 1939.0 Other Approved
DB00313 Valproic-acid N03AG01 -14.399 -22.648000000000003 -22.648000000000003 1784.0 Other Approved
DB00315 Zolmitriptan N02CC03 -38.016 -37.313 -38.016 885.0 Other Approved
DB00316 Acetaminophen N02BE71,N02BE01,N02AJ13,N02AJ17,N02BE51,N02AJ06,N02AJ01 -10.367 -21.402 -21.402 1848.0 Other Approved
DB00317 Gefitinib L01XE02 -46.585 -45.778 -46.585 360.0 Other Approved
DB00318 Codeine N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07 -29.007 -24.258000000000006 -29.007 1453.0 Other Approved
DB00319 Piperacillin J01CR50,J01CA12 -58.29600000000001 -53.691 -58.29600000000001 25.0 Antiinfectives Approved
DB00320 Dihydroergotamine N02CA51,N02CA01 -50.864 -51.758 -51.758 136.0 Other Approved
DB00321 Amitriptyline N06AA09,N06CA01 -36.354 -36.37300000000001 -36.37300000000001 1003.0 Other Approved
DB00322 Floxuridine L01BC09 -22.161 -27.645 -27.645 1518.0 Other Approved
DB00323 Tolcapone N04BX01 -26.871 -30.575 -30.575 1344.0 Other Approved
DB00324 Fluorometholone D07XB04,D07AB06,S01BA07,S01BB03,C05AA06,D07CB03,S01CB05,S01CA07,D10AA01 -26.824 -27.299 -27.299 1545.0 Other Approved
DB00327 Hydromorphone N02AA53,N02AA03,N02AG04 -27.293000000000006 -21.226 -27.293000000000006 1547.0 Other Approved
DB00328 Indomethacin S01CC02,M01AB51,S01BC01,M02AA23,M01AB01,C01EB03 -44.393 -39.851 -44.393 499.0 Other Approved
DB00330 Ethambutol J04AK02,J04AM03,J04AM06,J04AM07 -22.228 -20.518 -22.228 1804.0 Antiinfectives Approved
DB00331 Metformin A10BD23,A10BD02,A10BD18,A10BD11,A10BD25,A10BA02,A10BD22,A10BD14,A10BD16,A10BD17,A10BD05,A10BD15,A10BD07,A10BD10,A10BD13,A10BD20,A10BD08,A10BD03 -16.909000000000002 -16.699 -16.909000000000002 1968.0 Other Approved
DB00332 Ipratropium R03BB01,R01AX03,R03AL01,R03AL02 -34.381 -35.707 -35.707 1040.0 Other Approved
DB00333 Methadone N07BC02,N02AC52 -34.501 -31.179 -34.501 1111.0 Other Approved
DB00334 Olanzapine N05AH03 -34.969 -36.252 -36.252 1012.0 Other Approved
DB00335 Atenolol C07CB53,C07AB03,C07FB03,C07DB01,C07BB03,C07CB03 -24.45 -33.447 -33.447 1190.0 Other Approved
DB00336 Nitrofural D08AF01,S02AA02,B05CA03,S01AX04,D09AA03,P01CC02 -16.017 -16.913 -16.913 1966.0 Other Approved
DB00338 Omeprazole A02BC01,A02BD05,A02BD01 -37.927 -37.538 -37.927 894.0 Other Approved
DB00339 Pyrazinamide J04AK01,J04AM06,J04AM05 -21.688 -17.549 -21.688 1832.0 Antiinfectives Approved
DB00340 Metixene N04AA03 -34.559 -32.061 -34.559 1107.0 Other Approved
DB00341 Cetirizine R06AE07 -43.7 -46.604 -46.604 358.0 Other Approved
DB00342 Terfenadine R06AX12 -46.918 -46.596 -46.918 342.0 Other Approved
DB00343 Diltiazem C08DB01,C05AE03 -34.072 -30.823 -34.072 1146.0 Other Approved
DB00344 Protriptyline N06AA11 -33.343 -36.148 -36.148 1018.0 Other Approved
DB00345 Aminohippuric-acid V04CH30 -24.364 -27.546 -27.546 1524.0 Other Approved
DB00346 Alfuzosin G04CA01,G04CA51 -37.614 -34.253 -37.614 917.0 Other Approved
DB00347 Trimethadione N03AC02 -17.215 -13.622 -17.215 1963.0 Other Approved
DB00348 Nitisinone A16AX04 -26.501 -26.353 -26.501 1594.0 Other Approved
DB00349 Clobazam N05BA09 -31.251 -21.734 -31.251 1308.0 Other Approved
DB00350 Minoxidil D11AX01,C02DC01 -23.083 -18.665 -23.083 1756.0 Other Approved
DB00351 Megestrol-acetate G03FB04,G03DB02,G03FA08,G03AC05,G03AA04,L02AB01,G03AB01 -32.013000000000005 -26.471 -32.013000000000005 1274.0 Other Approved
DB00352 Tioguanine L01BB03 -14.58 -18.439 -18.439 1932.0 Other Approved
DB00353 Methylergometrine G02AC01,G02AB01 -38.14 -37.146 -38.14 876.0 Other Approved
DB00354 Buclizine R06AE51,R06AE01 -25.884 -37.002 -37.002 960.0 Other Approved
DB00355 Aztreonam J01DF01 -30.51 -45.382 -45.382 426.0 Antiinfectives Approved
DB00356 Chlorzoxazone M03BB03,M03BB53,M03BB73 -12.656 -13.107 -13.107 2011.0 Other Approved
DB00357 Aminoglutethimide L02BG01 -25.901 -30.574 -30.574 1345.0 Other Approved
DB00358 Mefloquine P01BF02,P01BC02 -38.905 -38.115 -38.905 831.0 Other Approved
DB00359 Sulfadiazine J01EE06,J01EC02,G01AE10,J01EE02 -19.684 -23.663 -23.663 1726.0 Antiinfectives Approved
DB00360 Sapropterin A16AX07 -26.056 -25.203000000000007 -26.056 1615.0 Other Approved
DB00363 Clozapine N05AH02 -31.84 -35.945 -35.945 1029.0 Other Approved
DB00365 Grepafloxacin J01MA11 -40.347 -32.21 -40.347 743.0 Antiinfectives Approved
DB00366 Doxylamine R06AA09,R06AA59 -15.9 -31.702 -31.702 1294.0 Other Approved
DB00367 Levonorgestrel G03AB03,G03AD01,G03AC03,G03FB09,G03AA07,G03FA11 -30.091 -33.985 -33.985 1154.0 Other Approved
DB00368 Norepinephrine C01CA03 -16.454 -22.088 -22.088 1811.0 Other Approved
DB00369 Cidofovir J05AB12 -28.037 -34.748000000000005 -34.748000000000005 1091.0 Antivirals Approved
DB00370 Mirtazapine N06AX11 -29.211 -35.147 -35.147 1071.0 Other Approved
DB00371 Meprobamate N05BC51,N05CX01,N05BC01 -18.752 -21.893 -21.893 1822.0 Other Approved
DB00372 Thiethylperazine R06AD03 -49.676 -34.906 -49.676 200.0 Other Approved
DB00373 Timolol C07AA06,S01ED51,C07BA06,C07DA06,S01ED01 -21.055 -28.877 -28.877 1460.0 Other Approved
DB00374 Treprostinil B01AC21 -41.149 -44.278 -44.278 505.0 Other Approved
DB00376 Trihexyphenidyl N04AA01 -32.497 -34.157 -34.157 1141.0 Other Approved
DB00377 Palonosetron A04AA55,A04AA05 -40.939 -33.83 -40.939 705.0 Other Approved
DB00378 Dydrogesterone G03FA14,G03DB01,G03FB08 -33.697 -30.216 -33.697 1171.0 Other Approved
DB00379 Mexiletine C01BB02 -5.15 -19.723 -19.723 1894.0 Other Approved
DB00380 Dexrazoxane V03AF02 -11.467 -22.241 -22.241 1803.0 Other Approved
DB00381 Amlodipine C09XA54,C10BX07,C09BB03,C09BB04,C07FB07,C09DB06,C07FB12,C09DB05,C09XA53,C10BX03,C07FB13,C08CA01,C09BX03,C09DB04,C09DX03,C08GA02,C09DB07,C09DX06,C09BX01,C10BX11,C09DB02,C10BX09,C09DX01,C09DB01,C10BX14,C09BB07 -42.117 -44.754 -44.754 474.0 Other Approved
DB00382 Tacrine N06DA01 -20.322 -26.767 -26.767 1581.0 Other Approved
DB00383 Oxyphencyclimine A03AA01,A03CA03 -39.213 -36.725 -39.213 813.0 Other Approved
DB00384 Triamterene C03DB02 -23.567 -19.765 -23.567 1731.0 Other Approved
DB00385 Valrubicin L01DB09 -48.334 -50.115 -50.115 182.0 Other Approved
DB00387 Procyclidine N04AA04 -31.787 -30.957 -31.787 1287.0 Other Approved
DB00388 Phenylephrine S01FB01,R01AB01,C01CA06,R01AA04,S01FB51,R01BA53,S01GA05,S01GA55,R01BA03 -13.909 -21.234 -21.234 1851.0 Other Approved
DB00389 Carbimazole H03BB01 -18.832 -25.027 -25.027 1664.0 Other Approved
DB00391 Sulpiride N05AL01 -30.832 -40.93 -40.93 707.0 Other Approved
DB00392 Profenamine N04AA05 -36.793 -21.143 -36.793 970.0 Other Approved
DB00393 Nimodipine C08CA06 -33.175 -35.302 -35.302 1062.0 Other Approved
DB00394 Beclomethasone-dipropionate D07CC04,R03BA01,R03AL09,D07AC15,R03AK08,R03AK13,R01AD01,A07EA07 -44.695 -40.172 -44.695 480.0 Other Approved
DB00395 Carisoprodol M03BA02,M03BA72,M03BA52 -27.123 -32.913000000000004 -32.913000000000004 1218.0 Other Approved
DB00396 Progesterone G03FA04,G03DA04 -39.389 -19.312 -39.389 806.0 Other Approved
DB00397 Phenylpropanolamine R01BA51,R01BA01 -19.283 -23.073 -23.073 1758.0 Other Approved
DB00398 Sorafenib L01XE05 -43.024 -45.097 -45.097 453.0 Other Approved
DB00399 Zoledronic-acid M05BB08,M05BA08 -20.937 -24.61 -24.61 1680.0 Other Approved
DB00400 Griseofulvin D01BA01,D01AA08 -19.156 -25.852 -25.852 1630.0 Other Approved
DB00401 Nisoldipine C08CA07 -35.79400000000001 -36.49 -36.49 996.0 Other Approved
DB00402 Eszopiclone N05CF04 -23.058000000000003 -42.684 -42.684 596.0 Other Approved
DB00404 Alprazolam N05BA12 -36.752 -35.005 -36.752 973.0 Other Approved
DB00405 Dexbrompheniramine R06AB06,R06AB56 -33.659 -32.82 -33.659 1172.0 Other Approved
DB00406 Gentian-Violet G01AX09,D01AE02 -40.238 -36.177 -40.238 750.0 Other Approved
DB00408 Loxapine N05AH01 -22.414 -37.021 -37.021 959.0 Other Approved
DB00409 Remoxipride N05AL04 -22.922 -36.616 -36.616 980.0 Other Approved
DB00410 Mupirocin R01AX06,D06AX09 -49.147 -45.62600000000001 -49.147 228.0 Other Approved
DB00411 Carbachol N07AB01,S01EB02 -18.373 -18.385 -18.385 1933.0 Other Approved
DB00412 Rosiglitazone A10BD04,A10BG02,A10BD03 -34.868 -21.464 -34.868 1086.0 Other Approved
DB00413 Pramipexole N04BC05 -18.321 -28.085 -28.085 1500.0 Other Approved
DB00414 Acetohexamide A10BB31 -27.713 -34.115 -34.115 1143.0 Other Approved
DB00415 Ampicillin J01CR50,J01CA51,J01CA01,S01AA19 -39.788 -40.633 -40.633 721.0 Antiinfectives Approved
DB00417 Phenoxymethylpenicillin J01CR50,J01CE10,J01CE02 -47.445 -28.896 -47.445 311.0 Antiinfectives Approved
DB00418 Secobarbital N05CB01,N05CA06 -28.205 -18.05 -28.205 1499.0 Other Approved
DB00419 Miglustat A16AX06 -18.781 -15.317 -18.781 1922.0 Other Approved
DB00420 Promazine N05AA03 -36.846 -35.08 -36.846 966.0 Other Approved
DB00421 Spironolactone C03DA01 -35.187 -33.872 -35.187 1067.0 Other Approved
DB00422 Methylphenidate N06BA04 -37.25 -24.097 -37.25 944.0 Other Approved
DB00423 Methocarbamol M03BA73,M03BA03,M03BA53 -15.84 -22.421 -22.421 1794.0 Other Approved
DB00424 Hyoscyamine A03BA03,A03CB31 -36.79 -37.976 -37.976 890.0 Other Approved
DB00425 Zolpidem N05CF02 -35.75 -34.271 -35.75 1038.0 Other Approved
DB00426 Famciclovir J05AB09,S01AD07 -30.712 -32.083 -32.083 1269.0 Antivirals Approved
DB00427 Triprolidine R06AX07 -36.779 -38.947 -38.947 827.0 Other Approved
DB00428 Streptozocin L01AD04 -23.595 -16.043 -23.595 1729.0 Other Approved
DB00430 Cefpiramide J01DD11 -47.05 -49.271 -49.271 215.0 Antiinfectives Approved
DB00431 Lindane P03AB02 -0.723 -19.063 -19.063 1913.0 Other Approved
DB00432 Trifluridine L01BC59,S01AD02 -27.362 -29.36 -29.36 1426.0 Other Approved
DB00433 Prochlorperazine N05AB04 -36.702 -32.516 -36.702 975.0 Other Approved
DB00434 Cyproheptadine R06AX02 -31.727 -27.753 -31.727 1292.0 Other Approved
DB00436 Bendroflumethiazide C03AB01,C03EA13,G01AE10,C03AA01 -40.092 -35.389 -40.092 761.0 Other Approved
DB00437 Allopurinol M04AA01,M04AA51 -10.768 -18.581 -18.581 1925.0 Other Approved
DB00438 Ceftazidime J01DD02 -57.453 -54.677 -57.453 33.0 Antiinfectives Approved
DB00439 Cerivastatin C10AA06 -49.187 -51.929 -51.929 130.0 Other Approved
DB00440 Trimethoprim J04AM08,J01EA01,J01EE03,J01EE01,J01EE04,J01EE02,J01EE07,J01EE05 -32.996 -21.404 -32.996 1212.0 Antiinfectives Approved
DB00441 Gemcitabine L01BC05 -22.915 -28.501 -28.501 1485.0 Other Approved
DB00442 Entecavir J05AF10 -27.418000000000006 -24.512 -27.418000000000006 1535.0 Antivirals Approved
DB00443 Betamethasone R01AD06,D07BC01,S01BA06,S01BB04,S01CB04,H02AB01,C05AA05,S03CA06,D07XC01,D07AC01,A07EA04,S02BA07,R03BA04,S03BA03,S01CA05,D07CC01 -28.024 -23.712 -28.024 1505.0 Other Approved
DB00444 Teniposide L01CB02 -50.617 -49.19 -50.617 169.0 Other Approved
DB00445 Epirubicin L01DB03 -49.15 -51.428 -51.428 140.0 Other Approved
DB00446 Chloramphenicol S03AA08,S02AA01,D10AF03,S01AA01,G01AA05,J01BA01,D06AX02 -26.736 -30.357 -30.357 1361.0 Antiinfectives Approved
DB00447 Loracarbef J01DC08 -43.157 -46.43600000000001 -46.43600000000001 367.0 Antiinfectives Approved
DB00448 Lansoprazole A02BC03,A02BD02,A02BD07,A02BD09,A02BD10,A02BD03,A02BC53 -37.36 -31.875 -37.36 934.0 Other Approved
DB00449 Dipivefrin S01EA02 -39.476 -44.131 -44.131 515.0 Other Approved
DB00450 Droperidol N05AD08 -30.753 -34.296 -34.296 1133.0 Other Approved
DB00452 Framycetin D09AA01,R01AX08,S01AA07 -48.962 -49.931 -49.931 190.0 Other Approved
DB00454 Meperidine N02AB02,N02AB72,N02AB52,N02AG03 -30.36 -30.539 -30.539 1349.0 Other Approved
DB00455 Loratadine R06AX13 -46.232 -41.09 -46.232 374.0 Other Approved
DB00456 Cefalotin J01DB03 -55.354 -46.76600000000001 -55.354 61.0 Antiinfectives Approved
DB00457 Prazosin C02LE01,C02CA01 -26.734 -34.209 -34.209 1136.0 Other Approved
DB00458 Imipramine N06AA02 -33.318000000000005 -31.224 -33.318000000000005 1196.0 Other Approved
DB00459 Acitretin D05BB02 -40.543 -33.198 -40.543 729.0 Other Approved
DB00460 Verteporfin S01LA01 -66.905 -54.423 -66.905 3.0 Other Approved
DB00461 Nabumetone M01AX01 -34.186 -25.303 -34.186 1138.0 Other Approved
DB00465 Ketorolac M01AB15,S01FB51,S01BC05 -39.24 -37.545 -39.24 810.0 Other Approved
DB00467 Enoxacin J01MA04 -32.998000000000005 -30.13 -32.998000000000005 1211.0 Antiinfectives Approved
DB00468 Quinine M09AA72,P01BC01 -36.74800000000001 -38.001 -38.001 888.0 Other Approved
DB00469 Tenoxicam M01AC02 -33.76 -31.67 -33.76 1165.0 Other Approved
DB00470 Dronabinol A04AD10 -39.224 -33.542 -39.224 812.0 Other Approved
DB00471 Montelukast R03DC03,R03DC53 -54.444 -48.486 -54.444 80.0 Other Approved
DB00472 Fluoxetine N06CA03,N06AB03 -36.492 -37.557 -37.557 920.0 Other Approved
DB00473 Hexylcaine NA -16.405 -35.453 -35.453 1053.0 NA Approved
DB00474 Methohexital N05CB01,N01AF01,N05CA15 -27.076 -24.939 -27.076 1561.0 Other Approved
DB00475 Chlordiazepoxide N05BA02 -34.894 -34.56 -34.894 1084.0 Other Approved
DB00476 Duloxetine N06AX21 -36.44 -32.067 -36.44 1001.0 Other Approved
DB00477 Chlorpromazine N05AA01 -37.934 -33.522 -37.934 892.0 Other Approved
DB00478 Rimantadine J05AC02 -17.565 -20.556 -20.556 1867.0 Antivirals Approved
DB00479 Amikacin S01AA21,D06AX12,J01GB06,J01RA06 -55.28100000000001 -53.65 -55.28100000000001 63.0 Antiinfectives Approved
DB00480 Lenalidomide L04AX04 -25.52 -31.049 -31.049 1324.0 Other Approved
DB00481 Raloxifene G03XC01 -37.718 -40.322 -40.322 745.0 Other Approved
DB00482 Celecoxib M01AH01,L01XX33,G01AE10 -38.277 -41.624 -41.624 664.0 Other Approved
DB00484 Brimonidine D11AX21,S01EA05 -23.762 -31.026 -31.026 1326.0 Other Approved
DB00485 Dicloxacillin J01CR50,J01CF01 -40.175 -37.968 -40.175 754.0 Antiinfectives Approved
DB00486 Nabilone A04AD11 -44.5 -38.396 -44.5 494.0 Other Approved
DB00487 Pefloxacin J01MA03 -26.902 -31.127 -31.127 1317.0 Antiinfectives Approved
DB00488 Altretamine L01XX03 -18.895 -23.441 -23.441 1740.0 Other Approved
DB00489 Sotalol C07AA07,C07BA07,C07FX02 -23.774 -29.281 -29.281 1432.0 Other Approved
DB00490 Buspirone N05BE01 -42.381 -24.421 -42.381 613.0 Other Approved
DB00491 Miglitol A10BF02 -14.048 -17.174 -17.174 1965.0 Other Approved
DB00492 Fosinopril C09BA09,C09AA09 -54.869 -46.208 -54.869 72.0 Other Approved
DB00493 Cefotaxime J01DD01 -48.892 -49.904 -49.904 191.0 Antiinfectives Approved
DB00494 Entacapone N04BX02 -34.339 -24.296 -34.339 1130.0 Other Approved
DB00495 Zidovudine J05AR04,J05AF01,J05AR05,J05AR01 -23.81 -28.544 -28.544 1480.0 Antivirals Approved
DB00496 Darifenacin G04BD10 -48.131 -39.637 -48.131 276.0 Other Approved
DB00497 Oxycodone N02AA56,N02AA05,N02AA55,N02AJ18,N02AJ17,N02AJ19 -18.428 -27.139 -27.139 1559.0 Other Approved
DB00498 Phenindione B01AA02 -21.71 -21.553 -21.71 1829.0 Other Approved
DB00499 Flutamide L02BB01 -27.069000000000006 -18.217 -27.069000000000006 1562.0 Other Approved
DB00500 Tolmetin M01AB03,M02AA21 -39.136 -41.077 -41.077 692.0 Other Approved
DB00501 Cimetidine A02BA51,A02BA01 -32.48 -24.35 -32.48 1243.0 Other Approved
DB00502 Haloperidol N05AD01 -39.616 -40.785 -40.785 713.0 Other Approved
DB00503 Ritonavir J05AP53,J05AR10,J05AE03,J05AR23,J05AP52 -55.4 -49.464 -55.4 59.0 Protease-Inhibitors Approved
DB00504 Levallorphan NA -27.061 -26.316 -27.061 1564.0 NA Approved
DB00507 Nitazoxanide P01AX11 -29.632 -28.722 -29.632 1414.0 Other Approved
DB00508 Triflupromazine N05AA05 -41.065 -38.152 -41.065 695.0 Other Approved
DB00513 Aminocaproic-acid B02AA01 -21.964 -21.596 -21.964 1817.0 Other Approved
DB00514 Dextromethorphan R05DA09,N07XX59 -26.047 -25.847 -26.047 1616.0 Other Approved
DB00518 Albendazole P02CA03 -26.439 -26.461 -26.461 1595.0 Other Approved
DB00519 Trandolapril C09AA10,C09BB10 -43.963 -38.13800000000001 -43.963 519.0 Other Approved
DB00521 Carteolol S01ED55,S01ED05,C07AA15 -27.999 -33.569 -33.569 1182.0 Other Approved
DB00523 Alitretinoin D11AH04,L01XX22 -40.607 -43.36600000000001 -43.36600000000001 561.0 Other Approved
DB00524 Metolazone C03EA12,C03BA08,G01AE10 -37.644 -39.49 -39.49 800.0 Other Approved
DB00525 Tolnaftate D01AE18 -38.922 -34.504 -38.922 829.0 Other Approved
DB00527 Cinchocaine D04AB02,S02DA04,S01HA06,N01BB06,C05AD04 -45.523 -45.438 -45.523 414.0 Other Approved
DB00528 Lercanidipine C09DB08,C09BB02,C08CA13 -42.062 -47.832 -47.832 293.0 Other Approved
DB00529 Foscarnet J05AD01 -15.473 -15.885 -15.885 1989.0 Antivirals Approved
DB00530 Erlotinib L01XE03 -40.735 -41.174 -41.174 687.0 Other Approved
DB00531 Cyclophosphamide L01AA01 -20.279 -26.508000000000006 -26.508000000000006 1593.0 Other Approved
DB00532 Mephenytoin N03AB04,N03AB54 -22.974 -20.871 -22.974 1765.0 Other Approved
DB00533 Rofecoxib M01AH02 -34.387 -30.928 -34.387 1125.0 Other Approved
DB00535 Cefdinir J01DD15 -41.022 -31.558000000000003 -41.022 698.0 Antiinfectives Approved
DB00537 Ciprofloxacin J01RA11,S03AA07,J01MA02,S02AA15,J01RA10,J01RA12,S01AE03 -25.517 -31.226 -31.226 1311.0 Antiinfectives Approved
DB00539 Toremifene L02BA02 -46.79 -29.345 -46.79 347.0 Other Approved
DB00540 Nortriptyline N06AA10 -31.759 -36.974 -36.974 962.0 Other Approved
DB00542 Benazepril C09BA07,C09AA07 -47.101000000000006 -37.815 -47.101000000000006 332.0 Other Approved
DB00543 Amoxapine N06AA17 -31.339 -32.955 -32.955 1216.0 Other Approved
DB00544 Fluorouracil L01BC52,L01BC02 -16.559 -20.245 -20.245 1878.0 Other Approved
DB00545 Pyridostigmine N07AA02 -9.773 -16.717 -16.717 1973.0 Other Approved
DB00547 Desoximetasone D07AC03,D07XC02 -29.288 -39.321 -39.321 808.0 Other Approved
DB00548 Azelaic-acid D10AX03 -31.735 -33.646 -33.646 1174.0 Other Approved
DB00549 Zafirlukast R03DC01 -51.78100000000001 -44.468 -51.78100000000001 135.0 Other Approved
DB00550 Propylthiouracil H03BA02 -15.906 -23.289 -23.289 1746.0 Other Approved
DB00552 Pentostatin L01XX08 -34.003 -31.535 -34.003 1150.0 Other Approved
DB00553 Methoxsalen D05BA02,D05AD02 -23.72 -21.412 -23.72 1719.0 Other Approved
DB00554 Piroxicam M01AC01,M02AA07,S01BC06 -33.763000000000005 -28.425 -33.763000000000005 1164.0 Other Approved
DB00555 Lamotrigine N03AX09 -24.121 -23.036 -24.121 1704.0 Other Approved
DB00557 Hydroxyzine N05BB01,N05BB51 -34.897 -42.201 -42.201 626.0 Other Approved
DB00558 Zanamivir J05AH01 -33.488 -33.867 -33.867 1159.0 Antivirals Approved
DB00559 Bosentan G01AE10,C02KX01 -44.074 -43.62600000000001 -44.074 517.0 Other Approved
DB00560 Tigecycline J01AA20,J01AA12 -59.182 -39.05 -59.182 16.0 Antiinfectives Approved
DB00561 Doxapram R07AB01 -40.521 -38.665 -40.521 731.0 Other Approved
DB00562 Benzthiazide G01AE10 -43.601000000000006 -38.452 -43.601000000000006 545.0 Other Approved
DB00563 Methotrexate L04AX03,L01BA01 -58.816 -29.053 -58.816 21.0 Other Approved
DB00564 Carbamazepine N03AF01 -25.949 -18.802 -25.949 1624.0 Other Approved
DB00566 Succimer NA -26.883000000000006 -19.579 -26.883000000000006 1574.0 NA Approved
DB00567 Cephalexin J01DB01 -44.65 -45.585 -45.585 409.0 Antiinfectives Approved
DB00568 Cinnarizine N07CA52,N07CA02 -46.076 -40.941 -46.076 382.0 Other Approved
DB00571 Propranolol C07FX01,C07AA05,C07BA05 -37.056 -29.451 -37.056 955.0 Other Approved
DB00572 Atropine S01FA01,A03CB03,A03BA01 -37.126 -38.4 -38.4 861.0 Other Approved
DB00573 Fenoprofen M01AE04 -39.063 -41.073 -41.073 693.0 Other Approved
DB00574 Fenfluramine A08AA02 -26.487 -30.633000000000006 -30.633000000000006 1342.0 Other Approved
DB00575 Clonidine S01EA04,C02LC01,C02AC01,N02CX02,C02LC51 -14.336 -23.471 -23.471 1738.0 Other Approved
DB00576 Sulfamethizole J01EB02,B05CA04,G01AE10,S01AB01,D06BA04 -28.069000000000006 -27.201 -28.069000000000006 1501.0 Antiinfectives Approved
DB00577 Valaciclovir J05AB11 -31.809 -39.65 -39.65 790.0 Antivirals Approved
DB00578 Carbenicillin J01CR50,J01CA03 -39.863 -43.062 -43.062 570.0 Antiinfectives Approved
DB00579 Mazindol A08AA05 -26.031 -25.707 -26.031 1618.0 Other Approved
DB00580 Valdecoxib M01AH03 -35.29 -36.077 -36.077 1021.0 Other Approved
DB00581 Lactulose A06AD61,A06AD11 -25.643 -26.812 -26.812 1578.0 Other Approved
DB00582 Voriconazole J02AC03 -34.013000000000005 -33.695 -34.013000000000005 1149.0 Antiinfectives Approved
DB00583 Levocarnitine A16AA01 -23.277 -19.715 -23.277 1747.0 Other Approved
DB00584 Enalapril C09BA02,C09BB06,C09BB02,C09AA02 -46.398 -41.73 -46.398 370.0 Other Approved
DB00585 Nizatidine A02BA04 -22.395 -37.357 -37.357 935.0 Other Approved
DB00586 Diclofenac S01CC01,S01BC03,M01AB55,M02AA15,M01AB05,D11AX18 -35.292 -36.565 -36.565 986.0 Other Approved
DB00588 Fluticasone-propionate NA -41.775 -35.495 -41.775 653.0 NA Approved
DB00589 Lisuride G02CB02,N02CA07 -41.63800000000001 -37.16 -41.63800000000001 662.0 Other Approved
DB00590 Doxazosin C02CA04 -29.91 -25.034 -29.91 1392.0 Other Approved
DB00591 Fluocinolone-acetonide S01CA10,D07BC02,S02BA08,C05AA10,S01BA15,D07AC04,S02CA05,D07CC02 -30.233 -22.179 -30.233 1371.0 Other Approved
DB00593 Ethosuximide N03AD01,N03AD51 -12.799 -14.604 -14.604 2002.0 Other Approved
DB00594 Amiloride C03DB01 -16.275 -21.535 -21.535 1840.0 Other Approved
DB00595 Oxytetracycline J01AA06,S01AA04,J01AA56,D06AA03,G01AA07,J01AA20 -45.316 -18.902 -45.316 430.0 Antiinfectives Approved
DB00596 Ulobetasol D07AC21 -36.368 -28.61 -36.368 1005.0 Other Approved
DB00598 Labetalol C07BG01,C07CG01,C07AG01 -43.57 -39.906 -43.57 549.0 Other Approved
DB00599 Thiopental N01AF03,N05CB01,N05CA19 -23.862 -8.982000000000003 -23.862 1712.0 Other Approved
DB00600 Monobenzone D11AX13 -13.103 -31.068 -31.068 1323.0 Other Approved
DB00601 Linezolid J01XX08 -23.916 -29.115 -29.115 1444.0 Antiinfectives Approved
DB00603 Medroxyprogesterone-acetate G03DA02,L02AB02,G03AC06 -29.962 -21.28 -29.962 1387.0 Other Approved
DB00604 Cisapride A03FA02 -43.489 -28.162 -43.489 554.0 Other Approved
DB00605 Sulindac M01AB02 -46.309 -27.111 -46.309 372.0 Other Approved
DB00606 Cyclothiazide G01AE10,C03AB09,C03AA09 -35.064 -41.235 -41.235 682.0 Other Approved
DB00607 Nafcillin J01CR50,J01CF06 -51.058 -44.823 -51.058 154.0 Antiinfectives Approved
DB00608 Chloroquine P01BA01 -42.051 -29.971 -42.051 636.0 Other Approved
DB00609 Ethionamide J04AD03 -5.591 -23.411 -23.411 1742.0 Antiinfectives Approved
DB00610 Metaraminol C01CA09 -13.504 -23.234 -23.234 1748.0 Other Approved
DB00611 Butorphanol N02AF01 -27.962 -29.913 -29.913 1390.0 Other Approved
DB00612 Bisoprolol C07FX04,C07BB07,C07AB07,C09BX02,C07FB07 -31.61 -44.709 -44.709 478.0 Other Approved
DB00613 Amodiaquine P01BF03,P01BA06 -32.464 -32.669000000000004 -32.669000000000004 1225.0 Other Approved
DB00617 Paramethadione N03AC01 -7.231 -13.437 -13.437 2010.0 Other Approved
DB00618 Demeclocycline J01AA01,D06AA01,J01AA20 -44.912 -43.526 -44.912 465.0 Antiinfectives Approved
DB00619 Imatinib L01XE01 -53.026 -68.018 -68.018 2.0 Other Approved
DB00620 Triamcinolone D07AB09,R01AD11,R03BA06,D07BB03,A01AC01,H02AB08,D07CB01,S01BA05,D07XB02,S02CA04,C05AA12 -34.174 -26.035 -34.174 1140.0 Other Approved
DB00621 Oxandrolone A14AA08 -24.492 -21.152 -24.492 1685.0 Other Approved
DB00622 Nicardipine C08CA04 -47.632 -41.682 -47.632 305.0 Other Approved
DB00623 Fluphenazine N05AB02 -38.83 -51.067 -51.067 152.0 Other Approved
DB00624 Testosterone G03BA03,G03EA02 -29.625 -18.082 -29.625 1415.0 Other Approved
DB00625 Efavirenz J05AR06,J05AG03,J05AR11 -31.509 -31.052 -31.509 1301.0 Antivirals Approved
DB00627 Niacin C10AD02,C10AD52,C10BA01,C04AC01 -18.513 -18.131 -18.513 1929.0 Other Approved
DB00628 Clorazepic-acid NA -37.004 -37.621 -37.621 915.0 NA Approved
DB00629 Guanabenz NA -20.824 -25.241 -25.241 1655.0 NA Approved
DB00630 Alendronic-acid M05BB03,M05BA04,M05BB06,M05BB05 -18.594 -36.541 -36.541 991.0 Other Approved
DB00631 Clofarabine L01BB06 -20.514 -27.746 -27.746 1512.0 Other Approved
DB00632 Docosanol D06BB11 -40.29 -40.478 -40.478 736.0 Other Approved
DB00633 Dexmedetomidine N05CM18 -27.173 -25.123 -27.173 1556.0 Other Approved
DB00634 Sulfacetamide D10AF06,S01AB04,G01AE10 -17.146 -18.162 -18.162 1940.0 Other Approved
DB00635 Prednisone A07EA03,H02AB07 -32.6 -30.98 -32.6 1234.0 Other Approved
DB00636 Clofibrate C10AB01 -22.76 -18.401 -22.76 1778.0 Other Approved
DB00637 Astemizole R06AX11 -54.898 -48.304 -54.898 71.0 Other Approved
DB00639 Butoconazole G01AF20,G01AF15 -41.672 -37.701 -41.672 659.0 Other Approved
DB00640 Adenosine C01EB10 -26.509 -25.319000000000006 -26.509 1591.0 Other Approved
DB00641 Simvastatin A10BH51,C10AA01,C10BA02,C10BX04,C10BX01,C10BA04 -44.75899999999999 -44.597 -44.75899999999999 472.0 Other Approved
DB00642 Pemetrexed L01BA04 -52.851000000000006 -30.288 -52.851000000000006 110.0 Other Approved
DB00643 Mebendazole P02CA51,P02CA01 -29.193 -34.648 -34.648 1102.0 Other Approved
DB00645 Dyclonine N01BX02,R02AD04 -32.467 -32.04 -32.467 1244.0 Other Approved
DB00647 Dextropropoxyphene N02AC04,N02AC54,N02AC74 -35.637 -35.383 -35.637 1043.0 Other Approved
DB00648 Mitotane L01XX23 -25.675 -28.536 -28.536 1482.0 Other Approved
DB00649 Stavudine J05AF04,J05AR07 -23.071 -24.318 -24.318 1692.0 Antivirals Approved
DB00650 Leucovorin V03AF06,V03AF03 -48.203 -30.638 -48.203 272.0 Other Approved
DB00651 Dyphylline R03DA20,R03DB01,R03DA51,R03DA01 -20.553 -24.401 -24.401 1688.0 Other Approved
DB00652 Pentazocine N02AD01 -33.324 -31.139 -33.324 1195.0 Other Approved
DB00654 Latanoprost S01EE01 -42.323 -35.617 -42.323 618.0 Other Approved
DB00655 Estrone G03CC04,G03CA07 -25.578000000000007 -18.802 -25.578000000000007 1643.0 Other Approved
DB00656 Trazodone N06AX05 -29.857 -24.782 -29.857 1396.0 Other Approved
DB00657 Mecamylamine C02BB01 -17.633 -12.607 -17.633 1953.0 Other Approved
DB00659 Acamprosate N07BB03 -24.173 -19.976 -24.173 1702.0 Other Approved
DB00660 Metaxalone NA -31.859 -24.833 -31.859 1280.0 NA Approved
DB00661 Verapamil C09BB10,C08DA51,C08DA01 -45.023 -42.794 -45.023 457.0 Other Approved
DB00662 Trimethobenzamide R06AA10 -31.148000000000003 -39.639 -39.639 791.0 Other Approved
DB00663 Flumethasone D07AB03,D07BB01,S02CA02,D07CB05,D07XB01 -34.66 -29.3 -34.66 1100.0 Other Approved
DB00664 Sulfametopyrazine G01AE10,J01ED02 -31.779 -29.482 -31.779 1289.0 Antiinfectives Approved
DB00665 Nilutamide L02BB02 -30.942 -17.502 -30.942 1329.0 Other Approved
DB00668 Epinephrine A01AD01,R03AK01,B02BC09,C01CA24,S01EA01,R01AA14,R03AA01,S01EA51 -19.415 -21.488000000000003 -21.488000000000003 1843.0 Other Approved
DB00669 Sumatriptan N02CC01,G01AE10 -34.433 -34.74 -34.74 1092.0 Other Approved
DB00670 Pirenzepine A02BX03 -39.194 -28.55 -39.194 815.0 Other Approved
DB00671 Cefixime J01DD08 -48.99800000000001 -47.15600000000001 -48.99800000000001 237.0 Antiinfectives Approved
DB00672 Chlorpropamide A10BB02 -25.28 -25.755 -25.755 1633.0 Other Approved
DB00673 Aprepitant A04AD12 -44.705 -45.708 -45.708 400.0 Other Approved
DB00674 Galantamine N06DA04 -32.626 -21.308000000000003 -32.626 1230.0 Other Approved
DB00675 Tamoxifen L02BA01 -44.231 -26.602 -44.231 509.0 Other Approved
DB00676 Benzyl-benzoate P03AX01 -27.743 -29.312 -29.312 1428.0 Other Approved
DB00678 Losartan C09CA01,C09DA01,C09DB06 -46.69 -46.553 -46.69 350.0 Other Approved
DB00679 Thioridazine N05AC02 -38.267 -39.753 -39.753 786.0 Other Approved
DB00680 Moricizine C01BG01 -28.853 -26.917 -28.853 1464.0 Other Approved
DB00682 Warfarin B01AA03 -36.264 -35.185 -36.264 1010.0 Other Approved
DB00683 Midazolam N05CD08 -31.139 -28.746 -31.139 1316.0 Other Approved
DB00684 Tobramycin S01AA12,J01GB01 -38.259 -43.823 -43.823 529.0 Antiinfectives Approved
DB00685 Trovafloxacin J01MA13 -48.227 -40.58 -48.227 268.0 Antiinfectives Approved
DB00686 Pentosan-polysulfate C05BA04,G04BX15 -28.623 -40.025 -40.025 765.0 Other Approved
DB00687 Fludrocortisone S02CA07,S01CA06,H02AA02,S03CA05 -31.815 -23.93 -31.815 1284.0 Other Approved
DB00688 Mycophenolate-mofetil L04AA06 -49.173 -45.144 -49.173 224.0 Other Approved
DB00689 Cephaloglycin NA -48.00899999999999 -48.635 -48.635 255.0 NA Approved
DB00690 Flurazepam N05CD01 -39.756 -25.603 -39.756 785.0 Other Approved
DB00691 Moexipril C09AA13,C09BA13 -44.663 -49.71100000000001 -49.71100000000001 198.0 Other Approved
DB00692 Phentolamine V03AB36,C04AB01 -41.167 -25.808000000000003 -41.167 688.0 Other Approved
DB00693 Fluorescein S01JA01,S01JA51 -33.866 -28.016 -33.866 1160.0 Other Approved
DB00694 Daunorubicin L01DB02,L01XY01 -47.92100000000001 -46.941 -47.92100000000001 287.0 Other Approved
DB00695 Furosemide C03EB01,C03CA01,C03CB01,G01AE10 -38.694 -35.067 -38.694 845.0 Other Approved
DB00696 Ergotamine N02CA02,N02CA52,N02CA72 -56.352 -53.293 -56.352 49.0 Other Approved
DB00697 Tizanidine M03BX02 -20.949 -28.59 -28.59 1478.0 Other Approved
DB00698 Nitrofurantoin J01XE01,J01XE51 -29.731 -22.984 -29.731 1406.0 Antiinfectives Approved
DB00699 Nicergoline C04AE02 -45.56 -49.113 -49.113 230.0 Other Approved
DB00700 Eplerenone C03DA04 -38.076 -32.828 -38.076 882.0 Other Approved
DB00701 Amprenavir J05AE05 -48.006 -40.324 -48.006 282.0 Protease-Inhibitors Approved
DB00703 Methazolamide S01EC05 -17.918 -17.434 -17.918 1942.0 Other Approved
DB00704 Naltrexone N02AA56,N07BB04,A08AA62 -28.156 -28.235 -28.235 1495.0 Other Approved
DB00705 Delavirdine J05AG02 -31.086 -48.929 -48.929 241.0 Antivirals Approved
DB00706 Tamsulosin G04CA52,G04CA02,G01AE10,G04CA53 -43.097 -45.597 -45.597 407.0 Other Approved
DB00708 Sufentanil N01AH03 -44.25899999999999 -30.107 -44.25899999999999 506.0 Other Approved
DB00709 Lamivudine J05AR02,J05AR11,J05AR07,J05AR01,J05AR13,J05AR12,J05AR24,J05AR04,J05AR16,J05AR05,J05AF05 -17.148 -29.197 -29.197 1440.0 Antivirals Approved
DB00710 Ibandronate M05BA06,M05BB09 -45.88800000000001 -40.603 -45.88800000000001 393.0 Other Approved
DB00711 Diethylcarbamazine P02CB02 -17.407 -19.568 -19.568 1900.0 Other Approved
DB00712 Flurbiprofen M02AA19,M01AE09,R02AX01,S01BC04 -40.435 -35.92800000000001 -40.435 738.0 Other Approved
DB00713 Oxacillin J01CR50,J01CF04 -45.371 -44.537 -45.371 429.0 Antiinfectives Approved
DB00714 Apomorphine G04BE07,N04BC07 -21.477 -18.901 -21.477 1844.0 Other Approved
DB00715 Paroxetine N06AB05 -36.557 -34.097 -36.557 990.0 Other Approved
DB00716 Nedocromil R03BC03,R01AC07,S01GX04 -30.243 -28.646 -30.243 1369.0 Other Approved
DB00717 Norethisterone G03DC02,G03AA05,G03AB04,G03AC01,G03FA01,G03FB05 -33.16 -24.577 -33.16 1201.0 Other Approved
DB00718 Adefovir-dipivoxil J05AF08 -41.291 -39.577 -41.291 680.0 Antivirals Approved
DB00719 Azatadine R06AX09 -34.439 -31.293000000000006 -34.439 1120.0 Other Approved
DB00720 Clodronic-acid M05BA02 -9.208 -27.508000000000006 -27.508000000000006 1526.0 Other Approved
DB00721 Procaine N01BA52,C05AD05,S01HA05,N01BA02 -21.511 -31.259 -31.259 1307.0 Other Approved
DB00722 Lisinopril C09BA03,C10BX07,C09AA03,C09BB03 -45.228 -49.12 -49.12 229.0 Other Approved
DB00723 Methoxamine C01CA10 -18.308 -24.373 -24.373 1690.0 Other Approved
DB00724 Imiquimod D06BB10 -28.858 -23.275 -28.858 1462.0 Other Approved
DB00726 Trimipramine N06AA06 -35.024 -27.016 -35.024 1076.0 Other Approved
DB00727 Nitroglycerin C01DA02,C01DA52,C05AE01 -7.042000000000002 -14.509 -14.509 2003.0 Other Approved
DB00728 Rocuronium M03AC09 -44.612 -26.866 -44.612 487.0 Other Approved
DB00730 Thiabendazole D01AC06,P02CA02 -27.414 -29.027 -29.027 1450.0 Other Approved
DB00731 Nateglinide A10BX03 -44.38 -43.467 -44.38 500.0 Other Approved
DB00733 Pralidoxime V03AB04 -15.192 -19.48 -19.48 1902.0 Other Approved
DB00734 Risperidone N05AX08 -36.672 -43.453 -43.453 556.0 Other Approved
DB00735 Naftifine D01AE22 -39.136 -33.149 -39.136 820.0 Other Approved
DB00736 Esomeprazole A02BD06,A02BC05,M01AE52 -36.686 -36.222 -36.686 976.0 Other Approved
DB00737 Meclizine R06AE55,R06AE05 -34.878 -42.803 -42.803 587.0 Other Approved
DB00738 Pentamidine P01CX01 -37.878 -30.41 -37.878 897.0 Other Approved
DB00739 Hetacillin J01CA18,J01CR50 -20.876 -26.28 -26.28 1606.0 Antiinfectives Approved
DB00740 Riluzole N07XX02 -11.218 -23.093000000000004 -23.093000000000004 1754.0 Other Approved
DB00741 Hydrocortisone S01CB03,A01AC03,S01BA02,S01CA03,D07AA02,S01BB01,D07XA01,D07BA04,S02CA03,A07EA02,S02BA01,R01AD60,H02AB09,D07CA01,S03CA04,C05AA01 -30.52 -29.843000000000004 -30.52 1350.0 Other Approved
DB00742 Mannitol B05CX04,A06AD16,R05CB16,B05BC01 -15.484000000000002 -16.722 -16.722 1972.0 Other Approved
DB00744 Zileuton NA -27.19 -23.075 -27.19 1555.0 NA Approved
DB00745 Modafinil N06BA07 -33.703 -32.302 -33.703 1170.0 Other Approved
DB00746 Deferoxamine V03AC01 -54.543 -32.478 -54.543 79.0 Other Approved
DB00747 Scopolamine N05CM05,S01FA02,A04AD01,A04AD51 -32.197 -38.752 -38.752 842.0 Other Approved
DB00748 Carbinoxamine R06AA08 -26.936 -37.075 -37.075 953.0 Other Approved
DB00749 Etodolac M01AB08 -38.734 -42.076 -42.076 634.0 Other Approved
DB00750 Prilocaine N01BB54,N01BB04 -30.476 -31.086 -31.086 1320.0 Other Approved
DB00751 Epinastine S01GX10,R06AX24 -29.795 -27.787 -29.795 1401.0 Other Approved
DB00752 Tranylcypromine N06AF04 -17.185 -19.944000000000006 -19.944000000000006 1889.0 Other Approved
DB00753 Isoflurane N01AB06 -12.822 -14.624 -14.624 2001.0 Other Approved
DB00754 Ethotoin N03AB01 -25.455 -22.589 -25.455 1649.0 Other Approved
DB00755 Tretinoin D10AD51,L01XX14,D10AD01 -40.091 -41.845 -41.845 646.0 Other Approved
DB00756 Hexachlorophene D08AE01 -34.105 -32.635 -34.105 1145.0 Other Approved
DB00757 Dolasetron A04AA04 -36.11 -37.842 -37.842 901.0 Other Approved
DB00758 Clopidogrel B01AC04 -33.492 -33.559 -33.559 1183.0 Other Approved
DB00759 Tetracycline S02AA08,A02BD02,A01AB13,J01AA07,S01AA09,J01AA20,J01RA08,S03AA02,D06AA04,A02BD08 -42.322 -29.419 -42.322 619.0 Antiinfectives Approved
DB00760 Meropenem J01DH02,J01DH52 -43.51600000000001 -39.08 -43.51600000000001 553.0 Antiinfectives Approved
DB00762 Irinotecan L01XX19 -56.816 -53.04600000000001 -56.816 38.0 Other Approved
DB00763 Methimazole H03BB52,H03BB02 -14.88 -14.439 -14.88 1998.0 Other Approved
DB00764 Mometasone D07AC13,R03BA07,D07XC03,R01AD09,R03AK09 -36.252 -28.033 -36.252 1012.0 Other Approved
DB00765 Metyrosine C02KB01 -30.508000000000006 -23.649 -30.508000000000006 1351.0 Other Approved
DB00766 Clavulanic-acid NA -22.905 -25.381 -25.381 1652.0 NA Approved
DB00768 Olopatadine S01GX09,R01AC08 -45.699 -45.132 -45.699 401.0 Other Approved
DB00769 Hydrocortamate NA -44.904 -40.855 -44.904 466.0 NA Approved
DB00770 Alprostadil C01EA01,G04BE01 -45.268 -42.169 -45.268 433.0 Other Approved
DB00771 Clidinium A03CA02 -37.057 -41.597 -41.597 667.0 Other Approved
DB00772 Malathion P03AX03 -25.672 -27.759 -27.759 1511.0 Other Approved
DB00773 Etoposide L01CB01 -43.773 -43.103 -43.773 535.0 Other Approved
DB00774 Hydroflumethiazide C03AA02,G01AE10,C03AH02,C03AB02 -28.899 -26.914 -28.899 1459.0 Other Approved
DB00775 Tirofiban B01AC17 -49.097 -47.386 -49.097 232.0 Other Approved
DB00776 Oxcarbazepine N03AF02 -23.404 -27.413 -27.413 1536.0 Other Approved
DB00777 Propiomazine N05CM06 -42.93 -26.541 -42.93 581.0 Other Approved
DB00779 Nalidixic-acid J01MB02 -22.473000000000006 -28.846 -28.846 1466.0 Antiinfectives Approved
DB00780 Phenelzine N06AF03 -19.455 -22.277 -22.277 1800.0 Other Approved
DB00782 Propantheline A03AB05,A03CA34 -36.204 -39.778 -39.778 783.0 Other Approved
DB00783 Estradiol G03FA16,G03FA06,G03FA09,G03FA14,G03CA53,G03FA12,G03FB12,G03FB03,G03FA15,G03FB02,G03FB10,G03FA10,G03EA01,G03FA04,G03FA01,G03FB11,G03FB09,G03FB08,G03EA03,G03AA14,G03AB08,G03FB01,G03FA03,G03FA08,G03FB06,G03EA02,G03FA11,G03AA17,G03FB07,G03FA17,G03FA07,G03FA02,G03HB01,G03FB04,G03FA13,G02BB01,G03CA03,G03FA05,G03FB05 -25.02 -20.581 -25.02 1666.0 Other Approved
DB00784 Mefenamic-acid M01AG01 -35.152 -34.469 -35.152 1070.0 Other Approved
DB00787 Acyclovir J05AB01,D06BB03,S01AD03,D06BB53 -25.064 -30.283 -30.283 1364.0 Antivirals Approved
DB00788 Naproxen G02CC02,M02AA12,M01AE56,M01AE52,M01AE02 -35.7 -28.908 -35.7 1041.0 Other Approved
DB00790 Perindopril C09BX01,C09BA04,C10BX11,C10BX13,C09AA04,C09BX02,C10BX12,C09BB04,C10BX15,C10BX14 -44.17 -39.441 -44.17 511.0 Other Approved
DB00791 Uracil-mustard L01AD08 -20.317 -19.573 -20.317 1874.0 Other Approved
DB00792 Tripelennamine R06AC04,D04AA04 -27.313 -32.236999999999995 -32.236999999999995 1263.0 Other Approved
DB00793 Haloprogin D01AE11 -25.417 -20.661 -25.417 1651.0 Other Approved
DB00794 Primidone N05CB01,N03AA03 -22.702 -6.146 -22.702 1780.0 Other Approved
DB00795 Sulfasalazine A07EC01,G01AE10 -34.87 -35.765 -35.765 1037.0 Other Approved
DB00796 Candesartan-cilexetil NA -51.957 -55.575 -55.575 56.0 NA Approved
DB00797 Tolazoline M02AX02,C04AB02 -22.676 -24.272 -24.272 1696.0 Other Approved
DB00798 Gentamicin S01AA11,S02AA14,D06AX07,S03AA06,J01GB03 -37.636 -45.488 -45.488 416.0 Antiinfectives Approved
DB00799 Tazarotene D05AX05 -40.389 -39.102 -40.389 742.0 Other Approved
DB00800 Fenoldopam C01CA19 -33.09 -32.177 -33.09 1207.0 Other Approved
DB00801 Halazepam N05BA13 -36.333 -20.308 -36.333 1007.0 Other Approved
DB00802 Alfentanil N01AH02 -29.685 -32.95 -32.95 1217.0 Other Approved
DB00804 Dicyclomine A03AA07 -15.938 -33.811 -33.811 1163.0 Other Approved
DB00805 Minaprine N06AX07 -38.672 -25.34 -38.672 848.0 Other Approved
DB00806 Pentoxifylline C04AD03,R03DA20 -29.401 -28.324 -29.401 1424.0 Other Approved
DB00807 Proparacaine S01HA04 -26.555 -36.598 -36.598 984.0 Other Approved
DB00808 Indapamide C03BA11,C09BX01,G01AE10,C10BX13 -37.789 -38.051 -38.051 883.0 Other Approved
DB00809 Tropicamide S01FA06,S01FA56 -36.21 -34.236999999999995 -36.21 1015.0 Other Approved
DB00810 Biperiden N04AA02 -35.499 -34.013000000000005 -35.499 1048.0 Other Approved
DB00811 Ribavirin J05AP01 -27.371 -24.344 -27.371 1543.0 Antivirals Approved
DB00812 Phenylbutazone M01BA01,M01AA01,M02AA01 -36.958 -38.182 -38.182 873.0 Other Approved
DB00813 Fentanyl N01AH01,N02AB03,N01AH51 -42.742 -37.887 -42.742 594.0 Other Approved
DB00814 Meloxicam M01AC56,M01AC06 -33.091 -28.961 -33.091 1206.0 Other Approved
DB00816 Orciprenaline R03AB03,R03CB03,R03CB53 -16.924 -24.753 -24.753 1674.0 Other Approved
DB00817 Rosoxacin J01MB01 -38.085 -35.396 -38.085 881.0 Antiinfectives Approved
DB00818 Propofol N01AX10 -16.757 -22.552 -22.552 1788.0 Other Approved
DB00819 Acetazolamide G01AE10,S01EC01 -17.075 -17.739 -17.739 1950.0 Other Approved
DB00820 Tadalafil G04BE08,C02KX52 -39.042 -37.142 -39.042 822.0 Other Approved
DB00821 Carprofen NA -29.392 -32.168 -32.168 1267.0 NA Approved
DB00822 Disulfiram P03AA04,P03AA54,N07BB01 -23.031 -18.987 -23.031 1761.0 Other Approved
DB00823 Ethynodiol-diacetate NA -41.646 -30.76 -41.646 661.0 NA Approved
DB00824 Enprofylline NA -8.524 -26.165 -26.165 1611.0 NA Approved
DB00825 Menthol NA -15.154000000000002 -18.821 -18.821 1921.0 NA Approved
DB00826 Natamycin G01AA02,D01AA02,A01AB10,S01AA10,A07AA03 -54.709 -58.119 -58.119 28.0 Other Approved
DB00827 Cinoxacin J01MB06 -21.737 -29.364 -29.364 1425.0 Antiinfectives Approved
DB00828 Fosfomycin J01XX01 -14.961 -17.688 -17.688 1952.0 Antiinfectives Approved
DB00829 Diazepam N05BA01 -32.276 -32.523 -32.523 1240.0 Other Approved
DB00830 Phenmetrazine NA -19.043 -23.438 -23.438 1741.0 NA Approved
DB00831 Trifluoperazine N05AB06 -40.508 -41.361 -41.361 675.0 Other Approved
DB00832 Phensuximide N03AD02 -23.37 -20.944000000000006 -23.37 1744.0 Other Approved
DB00833 Cefaclor J01DC04 -46.993 -44.115 -46.993 338.0 Antiinfectives Approved
DB00835 Brompheniramine R06AB51,R06AB01 -32.173 -34.036 -34.036 1147.0 Other Approved
DB00836 Loperamide A07DA53,A07DA03 -38.83 -33.328 -38.83 839.0 Other Approved
DB00838 Clocortolone D07AB21 -28.278 -23.005 -28.278 1492.0 Other Approved
DB00839 Tolazamide A10BB05 -28.292 -32.692 -32.692 1223.0 Other Approved
DB00841 Dobutamine C01CA07 -34.453 -36.054 -36.054 1022.0 Other Approved
DB00842 Oxazepam N05BA04 -29.37 -29.905 -29.905 1393.0 Other Approved
DB00843 Donepezil N06DA52,N06DA53,N06DA02 -41.313 -45.74 -45.74 398.0 Other Approved
DB00844 Nalbuphine N02AF02 -31.935 -33.971 -33.971 1155.0 Other Approved
DB00845 Clofazimine J04BA01 -43.812 -37.646 -43.812 532.0 Antiinfectives Approved
DB00846 Flurandrenolide D07CC03,D07AC07 -38.12 -39.976 -39.976 767.0 Other Approved
DB00848 Levamisole P02CE01 -26.273000000000003 -25.711 -26.273000000000003 1608.0 Other Approved
DB00849 Methylphenobarbital N03AA01,N05CB01 -25.438 -25.971 -25.971 1623.0 Other Approved
DB00850 Perphenazine N05AB03 -40.41 -33.512 -40.41 740.0 Other Approved
DB00851 Dacarbazine L01AX04 -23.674 -24.26 -24.26 1698.0 Other Approved
DB00852 Pseudoephedrine R01BA52,R01BA02 -21.66 -21.776 -21.776 1826.0 Other Approved
DB00853 Temozolomide L01AX03 -15.075 -17.715999999999994 -17.715999999999994 1951.0 Other Approved
DB00854 Levorphanol NA -17.27 -25.044 -25.044 1662.0 NA Approved
DB00855 Aminolevulinic-acid L01XD04 -17.311 -24.648000000000003 -24.648000000000003 1678.0 Other Approved
DB00856 Chlorphenesin D01AE07 -16.447 -15.629 -16.447 1978.0 Other Approved
DB00857 Terbinafine D01AE15,D01BA02 -37.025 -34.823 -37.025 958.0 Other Approved
DB00859 Penicillamine M01CC01 -17.374000000000002 -16.625 -17.374000000000002 1959.0 Other Approved
DB00860 Prednisolone S01CA02,D07AA03,D07XA02,A01AC54,R01AD02,S01BB02,R01AD52,S01CB02,V03AB05,S03BA02,D07BA01,D07CA03,S01BA04,S02BA03,A07EA01,H02AB06,S02CA01,C05AA04,S03CA02 -27.886 -28.033 -28.033 1503.0 Other Approved
DB00861 Diflunisal N02BA11 -33.247 -29.579 -33.247 1198.0 Other Approved
DB00862 Vardenafil G04BE09 -51.242 -31.698 -51.242 144.0 Other Approved
DB00863 Ranitidine A02BA07,A02BA02 -33.596 -39.497 -39.497 799.0 Other Approved
DB00865 Benzphetamine NA -32.296 -31.218000000000004 -32.296 1258.0 NA Approved
DB00867 Ritodrine G02CA01 -33.508 -34.769 -34.769 1090.0 Other Approved
DB00868 Benzonatate R05DB01 -44.584 -48.44 -48.44 262.0 Other Approved
DB00869 Dorzolamide S01EC03 -26.864 -27.428 -27.428 1532.0 Other Approved
DB00870 Suprofen M01AE07 -40.173 -40.511 -40.511 733.0 Other Approved
DB00871 Terbutaline R03CC53,R03CC03,R03AC03 -22.74 -25.629 -25.629 1639.0 Other Approved
DB00872 Conivaptan C03XA02 -54.727 -54.087 -54.727 75.0 Other Approved
DB00873 Loteprednol S01BA14 -31.842 -31.81 -31.842 1282.0 Other Approved
DB00874 Guaifenesin R05CA03 -18.343 -18.824 -18.824 1920.0 Other Approved
DB00875 Flupentixol N05AF01 -45.654 -44.346 -45.654 404.0 Other Approved
DB00876 Eprosartan C09DA02,C09CA02 -54.984 -47.383 -54.984 67.0 Other Approved
DB00878 Chlorhexidine R02AA05,S03AA04,D08AC52,D08AC02,S01AX09,D09AA12,B05CA02,A01AB03,S02AA09 -43.364 -40.552 -43.364 562.0 Other Approved
DB00879 Emtricitabine J05AR19,J05AR08,J05AR17,J05AF09,J05AR09,J05AR20,J05AR06,J05AR03,J05AR22,J05AR18 -21.007 -29.697 -29.697 1409.0 Antivirals Approved
DB00880 Chlorothiazide C03AB04,G01AE10,C03AA04,C03AH01 -17.668 -25.427 -25.427 1650.0 Other Approved
DB00881 Quinapril C09AA06,C09BA06 -48.89 -49.26 -49.26 216.0 Other Approved
DB00882 Clomifene G03GB02 -47.868 -30.561 -47.868 291.0 Other Approved
DB00883 Isosorbide-dinitrate C01DA08,C01DA58,C05AE02 -14.037 -18.484 -18.484 1930.0 Other Approved
DB00884 Risedronic-acid M05BB07,M05BB02,M05BB04,M05BA07 -19.793 -24.522 -24.522 1684.0 Other Approved
DB00885 Pemirolast NA -21.669 -25.572 -25.572 1644.0 NA Approved
DB00887 Bumetanide G01AE10,C03CB02,C03EB02,C03CA02 -47.802 -41.823 -47.802 297.0 Other Approved
DB00888 Mechlorethamine L01AA05 -15.31 -12.317 -15.31 1995.0 Other Approved
DB00889 Granisetron A04AA02 -24.845 -24.629 -24.845 1673.0 Other Approved
DB00890 Dienestrol G03CB01,G03CC02 -25.921 -24.47 -25.921 1626.0 Other Approved
DB00891 Sulfapyridine G01AE10,J01EB04 -18.078 -28.628 -28.628 1476.0 Antiinfectives Approved
DB00892 Oxybuprocaine S01HA02,D04AB03 -20.955 -42.219 -42.219 623.0 Other Approved
DB00894 Testolactone NA -20.136 -22.534 -22.534 1789.0 NA Approved
DB00896 Rimexolone H02AB12,S01BA13 -35.482 -27.955 -35.482 1051.0 Other Approved
DB00897 Triazolam N05CD05 -33.623000000000005 -37.113 -37.113 950.0 Other Approved
DB00899 Remifentanil N01AH06 -35.534 -33.431 -35.534 1047.0 Other Approved
DB00900 Didanosine J05AF02 -26.852 -30.299 -30.299 1362.0 Antivirals Approved
DB00902 Methdilazine R06AD04 -32.699 -25.229 -32.699 1222.0 Other Approved
DB00903 Etacrynic-acid C03CC01 -38.647 -25.684 -38.647 850.0 Other Approved
DB00904 Ondansetron A04AA01 -36.59 -36.646 -36.646 979.0 Other Approved
DB00905 Bimatoprost S01EE03 -46.603 -39.51300000000001 -46.603 359.0 Other Approved
DB00906 Tiagabine N03AG06 -45.984 -36.408 -45.984 389.0 Other Approved
DB00907 Cocaine S01HA01,S02DA02,N01BC01,R02AD03 -29.925 -37.447 -37.447 927.0 Other Approved
DB00908 Quinidine C01BA01,C01BA51,C01BA71 -37.501 -40.453 -40.453 737.0 Other Approved
DB00909 Zonisamide N03AX15,G01AE10 -21.528 -27.464 -27.464 1529.0 Other Approved
DB00910 Paricalcitol H05BX02 -43.82 -41.984 -43.82 530.0 Other Approved
DB00911 Tinidazole J01RA11,J01RA13,A02BD09,J01XD02,G01AF20,P01AB02 -18.339 -23.732 -23.732 1717.0 Antiinfectives Approved
DB00912 Repaglinide A10BD14,A10BX02 -50.806 -47.51600000000001 -50.806 165.0 Other Approved
DB00913 Anileridine N01AH05 -37.49 -42.58600000000001 -42.58600000000001 602.0 Other Approved
DB00914 Phenformin A10BA01,A10BD01 -23.141 -27.295 -27.295 1546.0 Other Approved
DB00915 Amantadine N04BB01 -15.705 -19.273 -19.273 1909.0 Other Approved
DB00916 Metronidazole A02BD11,A02BD02,D06BX01,A02BD03,J01XD01,G01AF01,J01RA04,A02BD01,P01AB51,J01RA03,A02BD08,A01AB17,P01AB01,G01AF20,J01RA10 -13.234000000000002 -20.129 -20.129 1881.0 Antiinfectives Approved
DB00917 Dinoprostone G02AD02 -44.35 -42.038 -44.35 502.0 Other Approved
DB00918 Almotriptan N02CC05 -39.534 -37.51 -39.534 798.0 Other Approved
DB00919 Spectinomycin J01XX04 -17.581 -23.728 -23.728 1718.0 Antiinfectives Approved
DB00920 Ketotifen S01GX08,R06AX17 -30.109 -28.723000000000006 -30.109 1376.0 Other Approved
DB00921 Buprenorphine N07BC01,N07BC51,N02AE01 -38.049 -35.478 -38.049 884.0 Other Approved
DB00922 Levosimendan C01CX08 -31.535 -25.884 -31.535 1299.0 Other Approved
DB00923 Ceforanide J01DC11 -59.476000000000006 -59.658 -59.658 13.0 Antiinfectives Approved
DB00924 Cyclobenzaprine M03BX08 -37.87 -38.891 -38.891 832.0 Other Approved
DB00925 Phenoxybenzamine C04AX02 -31.864 -26.524 -31.864 1279.0 Other Approved
DB00927 Famotidine A02BA53,A02BA03 -33.926 -36.482 -36.482 997.0 Other Approved
DB00928 Azacitidine L01BC07 -18.325 -18.872 -18.872 1919.0 Other Approved
DB00929 Misoprostol G02AD06,A02BB01,M01AE56 -43.593 -34.952 -43.593 546.0 Other Approved
DB00931 Metacycline J01AA05,J01AA20 -43.849 -31.535 -43.849 526.0 Antiinfectives Approved
DB00932 Tipranavir J05AE09 -49.594 -34.048 -49.594 206.0 Protease-Inhibitors Approved
DB00933 Mesoridazine N05AC03 -44.838 -39.732 -44.838 470.0 Other Approved
DB00934 Maprotiline N06AA21 -37.098 -33.689 -37.098 951.0 Other Approved
DB00935 Oxymetazoline S01GA04,R01AB07,R01AA05 -31.08 -30.678 -31.08 1321.0 Other Approved
DB00936 Salicylic-acid D01AE12,N02BA04,N02BA12,S01BC08 -23.173 -26.38 -26.38 1601.0 Other Approved
DB00937 Diethylpropion A08AA03 -22.229 -24.564 -24.564 1682.0 Other Approved
DB00938 Salmeterol R03AK06,R03AK12,R03AC12 -45.41 -42.021 -45.41 422.0 Other Approved
DB00939 Meclofenamic-acid M01AG04,M02AA18 -36.526 -33.76 -36.526 993.0 Other Approved
DB00940 Methantheline A03AB07 -33.959 -39.835 -39.835 778.0 Other Approved
DB00941 Hexafluronium M03AC05 -53.833 -45.414 -53.833 90.0 Other Approved
DB00942 Cycrimine NA -29.525 -33.361999999999995 -33.361999999999995 1192.0 NA Approved
DB00943 Zalcitabine J05AF03 -15.762 -27.384 -27.384 1541.0 Antivirals Approved
DB00944 Demecarium S01EB04 -44.878 -41.364 -44.878 468.0 Other Approved
DB00945 Aspirin B01AC06,C07FX04,C10BX04,M01BA03,N02BA71,C10BX02,B01AC56,N02AJ07,N02AJ02,N02BA01,C10BX05,N02BA51,A01AD05,C10BX01,C07FX03,N02AJ18,C10BX12,C10BX08,C10BX06,C07FX02 -18.967 -27.535 -27.535 1525.0 Other Approved
DB00946 Phenprocoumon B01AA04 -33.605 -31.874 -33.605 1179.0 Other Approved
DB00947 Fulvestrant L02BA03 -49.725 -35.594 -49.725 197.0 Other Approved
DB00948 Mezlocillin J01CR50,J01CA10 -49.94 -47.684 -49.94 189.0 Antiinfectives Approved
DB00949 Felbamate N03AX10 -21.743 -25.626 -25.626 1640.0 Other Approved
DB00950 Fexofenadine R06AX26 -47.519 -53.28 -53.28 101.0 Other Approved
DB00951 Isoniazid J04AM04,J04AM01,J04AM03,J04AM02,J04AC01,J04AM06,J04AM05,J04AM07,J04AM08,J04AC51 -10.789 -17.191 -17.191 1964.0 Antiinfectives Approved
DB00952 Naratriptan N02CC02 -38.682 -36.095 -38.682 847.0 Other Approved
DB00953 Rizatriptan N02CC04 -39.83 -36.042 -39.83 779.0 Other Approved
DB00955 Netilmicin S01AA23,J01GB07 -38.738 -48.827 -48.827 245.0 Antiinfectives Approved
DB00956 Hydrocodone R05DA03 -29.19 -22.51 -29.19 1441.0 Other Approved
DB00957 Norgestimate G03AA11,G03FA13,G03AB09 -36.183 -26.026 -36.183 1017.0 Other Approved
DB00959 Methylprednisolone D10AA02,H02AB04,H02BX01,D07CA02,S01CA08,D07AA01 -34.425 -26.379 -34.425 1121.0 Other Approved
DB00960 Pindolol C07CA03,C07AA03 -28.311 -31.551 -31.551 1298.0 Other Approved
DB00961 Mepivacaine N01BB53,N01BB03 -20.632 -33.489000000000004 -33.489000000000004 1186.0 Other Approved
DB00962 Zaleplon N05CF03 -42.803 -24.537 -42.803 587.0 Other Approved
DB00963 Bromfenac S01BC11 -37.288 -38.211 -38.211 871.0 Other Approved
DB00964 Apraclonidine S01EA03 -15.594 -23.683000000000003 -23.683000000000003 1724.0 Other Approved
DB00966 Telmisartan C09DB04,C09CA07,C09DA07 -50.497 -59.13 -59.13 17.0 Other Approved
DB00967 Desloratadine R06AX27 -32.55 -37.504 -37.504 925.0 Other Approved
DB00968 Methyldopa NA -26.296 -23.601 -26.296 1604.0 NA Approved
DB00969 Alosetron A03AE01 -32.981 -37.152 -37.152 946.0 Other Approved
DB00972 Azelastine R06AX19,S01GX07,R01AC03 -47.283 -45.408 -47.283 318.0 Other Approved
DB00973 Ezetimibe C10BA02,C10BA05,C10AX09,C10BA06 -39.481 -39.169 -39.481 801.0 Other Approved
DB00974 Edetic-acid NA -37.849 -29.842 -37.849 899.0 NA Approved
DB00975 Dipyridamole B01AC07 -32.14 -46.505 -46.505 363.0 Other Approved
DB00977 Ethinylestradiol G03AA15,G03AA11,L02AA03,G03AA12,G03AA16,G03AB02,G03CA01,G03AA03,G03AA10,G03AB04,G03AB01,G03AB07,G03AA13,G03AA06,G03AA08,G03AA02,G03AA04,G03AA09,G03AB09,G03AA07,G03AB03,G03AA05,G03AB05,G03AB06,G03AA01 -24.327 -25.364 -25.364 1653.0 Other Approved
DB00978 Lomefloxacin S01AE04,J01MA07 -36.804 -28.39 -36.804 969.0 Antiinfectives Approved
DB00979 Cyclopentolate S01FA54,S01FA04 -33.718 -30.438 -33.718 1168.0 Other Approved
DB00980 Ramelteon N05CH02 -32.441 -30.996 -32.441 1249.0 Other Approved
DB00981 Physostigmine S01EB05,V03AB19 -17.294 -26.022 -26.022 1620.0 Other Approved
DB00982 Isotretinoin D10AD04,D10AD54,D10BA01 -39.162 -44.161 -44.161 513.0 Other Approved
DB00983 Formoterol R03AL09,R03AL07,R03AK08,R03AC13,R03AL05,R03AK11,R03AK07,R03AK09 -35.26300000000001 -38.843 -38.843 838.0 Other Approved
DB00984 Nandrolone-phenpropionate NA -45.129 -37.23 -45.129 449.0 NA Approved
DB00986 Glycopyrronium A03AB02,R03AL09,R03AL07,A03CA05,R03AL04,R03BB06 -32.506 -31.896 -32.506 1241.0 Other Approved
DB00987 Cytarabine L01BC01,L01XY01 -18.769 -27.381 -27.381 1542.0 Other Approved
DB00988 Dopamine C01CA04 -18.419 -22.349 -22.349 1799.0 Other Approved
DB00989 Rivastigmine N06DA03 -22.101 -22.878 -22.878 1769.0 Other Approved
DB00990 Exemestane L02BG06 -30.73 -30.598000000000006 -30.73 1339.0 Other Approved
DB00991 Oxaprozin M01AE12 -44.624 -42.505 -44.624 485.0 Other Approved
DB00992 Methyl-aminolevulinate L01XD03 -16.667 -23.713 -23.713 1720.0 Other Approved
DB00993 Azathioprine L04AX01 -26.374 -29.354 -29.354 1427.0 Other Approved
DB00996 Gabapentin N03AX12 -23.557 -25.022 -25.022 1665.0 Other Approved
DB00997 Doxorubicin L01DB01 -47.244 -46.157 -47.244 321.0 Other Approved
DB00998 Frovatriptan N02CC07 -33.681 -35.878 -35.878 1031.0 Other Approved
DB00999 Hydrochlorothiazide C09BX03,C03AX01,C09DX03,C03AB03,C03EA01,C09DX06,C09XA52,G01AE10,C09DX01,C03AA03,C09XA54 -27.216 -24.94 -27.216 1552.0 Other Approved
DB01000 Cyclacillin J01CR50 -39.764 -39.879 -39.879 771.0 Antiinfectives Approved
DB01001 Salbutamol R03AK04,R03AC02,R03CC02,R03AK13,R03AL02 -28.037 -28.615 -28.615 1477.0 Other Approved
DB01002 Levobupivacaine N01BB10 -31.878 -28.499 -31.878 1277.0 Other Approved
DB01003 Cromoglicic-acid R03AK05,R03AK04,R03BC01,R01AC51,S01GX51,R01AC01,S01GX01,D11AH03,A07EB01 -51.358 -41.691 -51.358 141.0 Other Approved
DB01004 Ganciclovir J05AB06,S01AD09 -26.779 -31.579 -31.579 1297.0 Antivirals Approved
DB01006 Letrozole L02BG04 -39.385 -33.281 -39.385 807.0 Other Approved
DB01007 Tioconazole G01AF20,D01AC07,G01AF08 -36.784 -38.235 -38.235 868.0 Other Approved
DB01008 Busulfan L01AB01 -17.038 -27.599 -27.599 1522.0 Other Approved
DB01009 Ketoprofen M01AE03,M02AA10,M01AE53 -38.004 -36.968 -38.004 887.0 Other Approved
DB01010 Edrophonium NA -12.009 -21.628 -21.628 1834.0 NA Approved
DB01011 Metyrapone V04CD01 -26.379 -30.9 -30.9 1330.0 Other Approved
DB01012 Cinacalcet H05BX01 -47.217 -31.876 -47.217 324.0 Other Approved
DB01013 Clobetasol-propionate NA -37.827 -30.337 -37.827 903.0 NA Approved
DB01014 Balsalazide A07EC04 -47.731 -26.461 -47.731 300.0 Other Approved
DB01015 Sulfamethoxazole J04AM08,J01EE01,G01AE10,J01EC01 -17.942 -23.184 -23.184 1750.0 Antiinfectives Approved
DB01016 Glyburide A10BB01 -43.26300000000001 -45.049 -45.049 456.0 Other Approved
DB01017 Minocycline J01AA08,J01AA20,A01AB23 -45.24100000000001 -37.228 -45.24100000000001 437.0 Antiinfectives Approved
DB01018 Guanfacine C02AC02 -21.882 -21.71 -21.882 1824.0 Other Approved
DB01019 Bethanechol N07AB02 -21.702 -17.215 -21.702 1830.0 Other Approved
DB01020 Isosorbide-mononitrate C01DA14 -12.961 -16.421 -16.421 1979.0 Other Approved
DB01021 Trichlormethiazide G01AE10,C03AA06,C03EA02,C03AB06 -31.821 -14.671 -31.821 1283.0 Other Approved
DB01022 Vitamin-K1 B02BA01 -56.428 -42.67100000000001 -56.428 46.0 Other Approved
DB01023 Felodipine C07FB02,C08CA02,C09BB05 -38.999 -33.315 -38.999 825.0 Other Approved
DB01024 Mycophenolic-acid L04AA06 -40.847 -41.212 -41.212 683.0 Other Approved
DB01025 Amlexanox A01AD07,R03DX01 -33.999 -29.86 -33.999 1151.0 Other Approved
DB01026 Ketoconazole G01AF11,G01AF20,J02AB02,D01AC08 -45.598 -32.177 -45.598 406.0 Antiinfectives Approved
DB01028 Methoxyflurane N02BG09 -13.878 -13.856 -13.878 2007.0 Other Approved
DB01029 Irbesartan C09CA04,C09DB05,C09DA04 -55.117 -53.556 -55.117 65.0 Other Approved
DB01030 Topotecan L01XX17 -35.232 -41.072 -41.072 694.0 Other Approved
DB01031 Ethinamate NA -13.669 -21.106 -21.106 1855.0 NA Approved
DB01032 Probenecid M04AB01,G01AE10 -24.349 -29.913 -29.913 1390.0 Other Approved
DB01033 Mercaptopurine L01BB02,R03DA20 -19.943 -20.303 -20.303 1876.0 Other Approved
DB01035 Procainamide C01BA02 -23.378 -31.238000000000003 -31.238000000000003 1310.0 Other Approved
DB01036 Tolterodine G04BD07 -36.228 -36.616 -36.616 980.0 Other Approved
DB01037 Selegiline N04BD01 -25.612 -24.626 -25.612 1641.0 Other Approved
DB01039 Fenofibrate C10BA03,C10AB05,C10BA04 -35.181999999999995 -42.81399999999999 -42.81399999999999 585.0 Other Approved
DB01041 Thalidomide L04AX02 -22.103 -26.446 -26.446 1598.0 Other Approved
DB01042 Melphalan L01AA03 -32.55 -30.877 -32.55 1238.0 Other Approved
DB01043 Memantine N06DA52,N06DX01,N06DA53 -17.927 -22.042 -22.042 1812.0 Other Approved
DB01044 Gatifloxacin S01AE06,J01MA16 -38.091 -33.01 -38.091 880.0 Antiinfectives Approved
DB01046 Lubiprostone A06AX03 -46.127 -43.003 -46.127 378.0 Other Approved
DB01047 Fluocinonide C05AA11,D07AC08,D07CC05 -41.205 -39.892 -41.205 685.0 Other Approved
DB01048 Abacavir J05AR02,J05AR13,J05AR04,J05AF06 -19.403 -27.218000000000004 -27.218000000000004 1551.0 Antivirals Approved
DB01050 Ibuprofen G02CC01,C01EB16,M01AE01,M02AA13,R02AX02,N02AJ08,N02AJ19,M01AE51 -27.552 -35.805 -35.805 1035.0 Other Approved
DB01051 Novobiocin NA -48.233 -44.937 -48.233 267.0 NA Approved
DB01053 Benzylpenicillin J01CR50,J01CE01,S01AA14,J01CE08 -36.549 -41.063 -41.063 696.0 Antiinfectives Approved
DB01054 Nitrendipine C08CA08,C09BB06 -33.508 -34.338 -34.338 1131.0 Other Approved
DB01056 Tocainide C01BB03 -5.497000000000001 -27.636 -27.636 1519.0 Other Approved
DB01057 Echothiophate S01EB03 -27.867 -18.876 -27.867 1509.0 Other Approved
DB01058 Praziquantel P02BA01 -39.759 -38.262 -39.759 784.0 Other Approved
DB01059 Norfloxacin J01RA13,S01AE02,J01MA06 -23.36 -34.027 -34.027 1148.0 Antiinfectives Approved
DB01060 Amoxicillin A02BD11,J01CR50,A02BD07,A02BD04,A02BD10,A02BD03,A02BD05,A02BD01,A02BD06,J01CA04 -37.304 -34.931999999999995 -37.304 939.0 Antiinfectives Approved
DB01061 Azlocillin J01CR50,J01CA09 -50.853 -46.52 -50.853 162.0 Antiinfectives Approved
DB01062 Oxybutynin G04BD04 NA -39.956 -39.956 768.0 Other Approved
DB01063 Acetophenazine N05AB07 -40.616 -38.616 -40.616 723.0 Other Approved
DB01064 Isoprenaline C01CA02,R03AK02,R03AB02,R03CB01,R03CB51 -17.605999999999995 -23.995 -23.995 1707.0 Other Approved
DB01065 Melatonin N05CH01 -34.567 -31.919 -34.567 1106.0 Other Approved
DB01066 Cefditoren J01DD16 -50.403 -46.985 -50.403 175.0 Antiinfectives Approved
DB01067 Glipizide A10BB07 -40.938 -37.54 -40.938 706.0 Other Approved
DB01068 Clonazepam N03AE01 -26.185 -26.139 -26.185 1610.0 Other Approved
DB01069 Promethazine R06AD52,D04AA10,V03AB05,R06AD02 -29.837 -18.418 -29.837 1398.0 Other Approved
DB01070 Dihydrotachysterol A11CC02 -44.416 -35.141 -44.416 496.0 Other Approved
DB01072 Atazanavir J05AE08,J05AR15,J05AR23 -54.93899999999999 -54.709 -54.93899999999999 68.0 Protease-Inhibitors Approved
DB01073 Fludarabine L01BB05 -23.492 -25.212 -25.212 1656.0 Other Approved
DB01074 Perhexiline C08EX02 -32.615 -27.345 -32.615 1232.0 Other Approved
DB01075 Diphenhydramine D04AA32,R06AA02,D04AA33,R06AA52 -32.586 -34.984 -34.984 1079.0 Other Approved
DB01076 Atorvastatin C10BX15,C10AA05,C10BX03,C10BA05,C10BX11,C10BX08,C10BX06,C10BX12 -55.442 -53.714 -55.442 58.0 Other Approved
DB01077 Etidronic-acid M05BB01,M05BA01 -19.663 -12.15 -19.663 1898.0 Other Approved
DB01079 Tegaserod A06AX06 -39.869 -33.406 -39.869 772.0 Other Approved
DB01080 Vigabatrin N03AG04 -22.315 -23.803 -23.803 1714.0 Other Approved
DB01081 Diphenoxylate A07DA01 -42.75100000000001 -43.83600000000001 -43.83600000000001 527.0 Other Approved
DB01082 Streptomycin J04AM01,J01GA01,A07AA54,A07AA04 -38.676 -45.419 -45.419 421.0 Antiinfectives Approved
DB01083 Orlistat A08AB01 -49.44300000000001 -48.074 -49.44300000000001 211.0 Other Approved
DB01084 Emedastine S01GX06 -26.434 -29.233 -29.233 1439.0 Other Approved
DB01085 Pilocarpine N07AX01,S01EB01,S01EB51 -19.001 -23.565 -23.565 1732.0 Other Approved
DB01086 Benzocaine C05AD03,R02AD01,D04AB04,N01BA05 -9.415 -23.086 -23.086 1755.0 Other Approved
DB01087 Primaquine P01BA03 -25.835 -22.163 -25.835 1631.0 Other Approved
DB01088 Iloprost B01AC11 -47.269 -40.632 -47.269 320.0 Other Approved
DB01089 Deserpidine C02LA03,C02AA05 -48.174 -49.353 -49.353 214.0 Other Approved
DB01090 Pentolinium NA -1.822 -21.947 -21.947 1818.0 NA Approved
DB01091 Butenafine D01AE23 -26.508000000000006 -40.575 -40.575 727.0 Other Approved
DB01092 Ouabain C01AC01 -37.906 -39.433 -39.433 805.0 Other Approved
DB01095 Fluvastatin C10AA04 -51.23 -43.705 -51.23 146.0 Other Approved
DB01096 Oxamniquine P02BA02 -29.106 -20.658 -29.106 1446.0 Other Approved
DB01097 Leflunomide L04AA13 -30.722 -31.647 -31.647 1296.0 Other Approved
DB01098 Rosuvastatin C10BX10,C10BX05,C10BX07,C10AA07,A10BH52,G01AE10,C10BX13,C10BX09,C10BX14,C10BA06 -52.471 -41.806 -52.471 118.0 Other Approved
DB01099 Flucytosine J02AX01,D01AE21 -14.281 -20.338 -20.338 1873.0 Antiinfectives Approved
DB01100 Pimozide N05AG02 -43.291 -48.997 -48.997 238.0 Other Approved
DB01101 Capecitabine L01BC06 -30.895 -28.614 -30.895 1331.0 Other Approved
DB01102 Arbutamine C01CA22 -35.86400000000001 -38.121 -38.121 877.0 Other Approved
DB01104 Sertraline N06AB06 -33.062 -35.674 -35.674 1042.0 Other Approved
DB01105 Sibutramine A08AA10 -29.945 -20.972 -29.945 1388.0 Other Approved
DB01106 Levocabastine R01AC02,S01GX02 -39.843 -31.536 -39.843 775.0 Other Approved
DB01107 Methyprylon N05CE02 -15.37 -17.754 -17.754 1948.0 Other Approved
DB01110 Miconazole A07AC01,J02AB01,D01AC52,G01AF20,A01AB09,D01AC02,S02AA13,G01AF04 -37.415 -38.215 -38.215 870.0 Antiinfectives Approved
DB01112 Cefuroxime S01AA27,J01DC02,J01RA03 -53.918 -48.89 -53.918 88.0 Antiinfectives Approved
DB01113 Papaverine G04BE02,A03AD01,G04BE52 -36.626 -37.621 -37.621 915.0 Other Approved
DB01114 Chlorpheniramine R06AB54,R06AB04 -35.497 -33.465 -35.497 1050.0 Other Approved
DB01115 Nifedipine C08CA55,C08GA01,C08CA05,C07FB03 -29.286 -29.185 -29.286 1431.0 Other Approved
DB01116 Trimethaphan C02BA01 -43.084 -45.687 -45.687 402.0 Other Approved
DB01117 Atovaquone P01AX06 -21.487 -28.538 -28.538 1481.0 Other Approved
DB01118 Amiodarone C01BD01 -45.084 -23.505 -45.084 454.0 Other Approved
DB01119 Diazoxide G01AE10,C02DA01,V03AH01 -13.738 -18.932 -18.932 1914.0 Other Approved
DB01120 Gliclazide A10BB09 -32.197 -31.488000000000003 -32.197 1266.0 Other Approved
DB01121 Phenacemide N03AX07 -17.608 -24.874 -24.874 1672.0 Other Approved
DB01122 Ambenonium N07AA30 -45.43 -40.433 -45.43 420.0 Other Approved
DB01123 Proflavine NA -29.179 -21.588 -29.179 1442.0 NA Approved
DB01124 Tolbutamide V04CA01,A10BB03 -27.133000000000006 -29.67 -29.67 1410.0 Other Approved
DB01125 Anisindione NA -28.93 -27.867 -28.93 1456.0 NA Approved
DB01126 Dutasteride G04CB02,G04CA52 -45.207 -43.03100000000001 -45.207 440.0 Other Approved
DB01127 Econazole G01AF05,D01AC03,G01AF20 -38.162 -37.843 -38.162 875.0 Other Approved
DB01128 Bicalutamide L02BB03,L02AE51 -36.467 -33.041 -36.467 998.0 Other Approved
DB01129 Rabeprazole A02BC54,M01AA05,A02BC04,M02AA03 -38.572 -34.687 -38.572 855.0 Other Approved
DB01130 Prednicarbate D07AC18 -46.07 -38.745 -46.07 384.0 Other Approved
DB01131 Proguanil P01BB01,P01BB51 -30.44 -29.374 -30.44 1357.0 Other Approved
DB01132 Pioglitazone A10BD09,A10BG03,A10BD05,A10BD06,A10BD12 -39.841 -37.424 -39.841 777.0 Other Approved
DB01133 Tiludronic-acid M05BA05 -30.253 -29.432 -30.253 1367.0 Other Approved
DB01136 Carvedilol C07AG02,C07FX06 -40.126 -24.299 -40.126 757.0 Other Approved
DB01137 Levofloxacin J01MA12,A02BD10,J01RA05,S01AE05 -28.581 -30.788 -30.788 1336.0 Antiinfectives Approved
DB01138 Sulfinpyrazone M04AB02 -39.06800000000001 -30.577 -39.06800000000001 821.0 Other Approved
DB01139 Cefapirin J01DB08 -45.433 -32.753 -45.433 418.0 Antiinfectives Approved
DB01140 Cefadroxil J01DB05 -39.378 -45.265 -45.265 434.0 Antiinfectives Approved
DB01142 Doxepin N06AA12,D04AX01 -35.895 -36.46 -36.46 1000.0 Other Approved
DB01143 Amifostine V03AF05 -28.857 -28.473000000000006 -28.857 1463.0 Other Approved
DB01144 Diclofenamide G01AE10,S01EC02 -27.444000000000006 -25.038 -27.444000000000006 1531.0 Other Approved
DB01145 Sulfoxone J04BA03 -31.331 -39.18 -39.18 817.0 Antiinfectives Approved
DB01146 Diphenylpyraline R06AA57,R06AA07 -33.825 -39.197 -39.197 814.0 Other Approved
DB01147 Cloxacillin J01CR50,J01CF02 -47.097 -42.74800000000001 -47.097 333.0 Antiinfectives Approved
DB01148 Flavoxate G04BD02 -28.223000000000006 -49.475 -49.475 210.0 Other Approved
DB01149 Nefazodone N06AX06 -51.837 -32.242 -51.837 134.0 Other Approved
DB01150 Cefprozil J01DC10 -39.99800000000001 -49.163 -49.163 226.0 Antiinfectives Approved
DB01151 Desipramine N06AA01 -35.111999999999995 -31.483 -35.111999999999995 1073.0 Other Approved
DB01153 Sertaconazole G01AF19,G01AF20,D01AC14 -42.448 -43.94600000000001 -43.94600000000001 521.0 Other Approved
DB01154 Thiamylal N05CB01 -26.287 -12.748 -26.287 1605.0 Other Approved
DB01155 Gemifloxacin J01MA15 -50.455 -32.943000000000005 -50.455 172.0 Antiinfectives Approved
DB01156 Bupropion A08AA62,N06AX12 -26.048 -33.635 -33.635 1175.0 Other Approved
DB01157 Trimetrexate P01AX07 -40.968 -40.328 -40.968 702.0 Other Approved
DB01158 Bretylium C01BD02 -23.011 -15.245 -23.011 1762.0 Other Approved
DB01159 Halothane N01AB01 -0.762 -12.274 -12.274 2015.0 Other Approved
DB01161 Chloroprocaine N01BA04 -23.997 -33.151 -33.151 1203.0 Other Approved
DB01162 Terazosin G04CA03 -30.798 -35.951 -35.951 1028.0 Other Approved
DB01165 Ofloxacin J01MA01,J01RA09,S01AE01,S02AA16 -37.415 -31.763 -37.415 930.0 Antiinfectives Approved
DB01166 Cilostazol B01AC23 -49.652 -36.009 -49.652 203.0 Other Approved
DB01167 Itraconazole J02AC02 -46.83600000000001 -31.024 -46.83600000000001 344.0 Antiinfectives Approved
DB01168 Procarbazine L01XB01 -30.999 -21.551 -30.999 1328.0 Other Approved
DB01170 Guanethidine S01EX01,C02CC02,C02LF01 -21.363000000000003 -15.608 -21.363000000000003 1849.0 Other Approved
DB01171 Moclobemide N06AG02 -29.326 -34.999 -34.999 1078.0 Other Approved
DB01172 Kanamycin S01AA24,J01GB04,A07AA08 -38.207 -44.922 -44.922 461.0 Antiinfectives Approved
DB01173 Orphenadrine M03BC51,N04AB02,M03BC01 -29.466 -33.88 -33.88 1157.0 Other Approved
DB01174 Phenobarbital N05CB01,N03AA02 -21.605 -10.102 -21.605 1835.0 Other Approved
DB01175 Escitalopram N06AB10 -35.397 -39.163 -39.163 818.0 Other Approved
DB01176 Cyclizine R06AE03,R06AE53 -27.843000000000004 -29.004 -29.004 1454.0 Other Approved
DB01177 Idarubicin L01DB06 -47.387 -48.205 -48.205 271.0 Other Approved
DB01178 Chlormezanone M03BB02,M03BB72,M03BB52 -23.664 -24.374 -24.374 1689.0 Other Approved
DB01179 Podofilox D06BB04 -34.409 -28.509 -34.409 1124.0 Other Approved
DB01180 Rescinnamine C02LA52,C02LA02,C02AA01 -51.933 -50.152 -51.933 129.0 Other Approved
DB01181 Ifosfamide L01AA06 -21.973000000000006 -24.463 -24.463 1686.0 Other Approved
DB01182 Propafenone C01BC03 -44.164 -46.73 -46.73 348.0 Other Approved
DB01183 Naloxone A06AH04,N02AA53,V03AB15,N02AA55 -29.643 -25.683000000000003 -29.643 1412.0 Other Approved
DB01184 Domperidone A03FA03 -31.22 -26.594 -31.22 1313.0 Other Approved
DB01185 Fluoxymesterone G03BA01 -28.415 -20.324 -28.415 1488.0 Other Approved
DB01186 Pergolide N04BC02 -32.59 -35.535 -35.535 1046.0 Other Approved
DB01187 Iophendylate V08AD04 -36.228 -28.86 -36.228 1014.0 Other Approved
DB01188 Ciclopirox D01AE14,G01AX12 -19.023 -25.916 -25.916 1627.0 Other Approved
DB01189 Desflurane N01AB07 -16.497 -16.109 -16.497 1977.0 Other Approved
DB01190 Clindamycin D10AF01,J01FF01,D10AF51,G01AA10 -38.789 -38.824 -38.824 840.0 Antiinfectives Approved
DB01191 Dexfenfluramine A08AA04 -24.526 -31.077 -31.077 1322.0 Other Approved
DB01192 Oxymorphone NA -28.69 -29.277 -29.277 1433.0 NA Approved
DB01193 Acebutolol C07AB04,C07BB04 -41.753 -31.221 -41.753 654.0 Other Approved
DB01194 Brinzolamide S01EC54,S01EC04 -34.973 -27.401 -34.973 1080.0 Other Approved
DB01195 Flecainide C01BC04 -32.934 -43.701 -43.701 541.0 Other Approved
DB01196 Estramustine L01XX11 -43.543 -37.919 -43.543 551.0 Other Approved
DB01197 Captopril C09AA01,C09BA01 -30.008000000000006 -25.224 -30.008000000000006 1382.0 Other Approved
DB01198 Zopiclone N05CF01 -22.857 -41.024 -41.024 697.0 Other Approved
DB01199 Tubocurarine M03AA02 -42.44 -36.675 -42.44 609.0 Other Approved
DB01200 Bromocriptine N04BC01,G02CB01 -48.109 -51.16 -51.16 148.0 Other Approved
DB01202 Levetiracetam N03AX14 -18.71 -18.92 -18.92 1915.0 Other Approved
DB01203 Nadolol C07BA12,C07AA12 -37.897 -29.125 -37.897 895.0 Other Approved
DB01204 Mitoxantrone L01DB07 -42.662 -48.97 -48.97 240.0 Other Approved
DB01205 Flumazenil V03AB25 -33.166 -26.776 -33.166 1200.0 Other Approved
DB01206 Lomustine L01AD02 -26.609 -21.654 -26.609 1586.0 Other Approved
DB01208 Sparfloxacin J01MA09 -25.303 -34.922 -34.922 1083.0 Antiinfectives Approved
DB01209 Dezocine N02AX03 -25.725 -13.159 -25.725 1634.0 Other Approved
DB01210 Levobunolol S01ED03 -30.64 -34.177 -34.177 1139.0 Other Approved
DB01211 Clarithromycin A02BD11,A02BD04,A02BD07,A02BD09,A02BD06,A02BD05,J01FA09 -42.826 -47.236 -47.236 322.0 Antiinfectives Approved
DB01212 Ceftriaxone J01DD04,J01DD54 -55.629 -51.164 -55.629 55.0 Antiinfectives Approved
DB01214 Metipranolol S01ED54,C07BA68,S01ED04 -36.024 -26.736 -36.024 1024.0 Other Approved
DB01215 Estazolam N05CD04 -32.626999999999995 -36.271 -36.271 1009.0 Other Approved
DB01216 Finasteride D11AX10,G04CA51,G04CB01 -37.266 -23.54 -37.266 942.0 Other Approved
DB01217 Anastrozole L02BG03 -36.377 -36.978 -36.978 961.0 Other Approved
DB01218 Halofantrine P01BX01 -42.322 -42.949 -42.949 579.0 Other Approved
DB01219 Dantrolene M03CA01 -32.683 -37.251 -37.251 943.0 Other Approved
DB01221 Ketamine N01AX03 -26.442 -24.75 -26.442 1599.0 Other Approved
DB01222 Budesonide D07AC09,R01AD05,R03AK07,A07EA06,R03BA02,R03AK12 -38.15 -39.9 -39.9 769.0 Other Approved
DB01224 Quetiapine N05AH04 -41.797 -39.418 -41.797 650.0 Other Approved
DB01227 Levacetylmethadol N07BC03 -32.56 -28.026 -32.56 1237.0 Other Approved
DB01228 Encainide C01BC08 -39.947 -41.983 -41.983 638.0 Other Approved
DB01230 Pemoline N06BA05 -22.393 -21.98 -22.393 1797.0 Other Approved
DB01231 Diphenidol NA -39.13800000000001 -37.982 -39.13800000000001 819.0 NA Approved
DB01232 Saquinavir J05AE01 -57.464 -56.33 -57.464 32.0 Protease-Inhibitors Approved
DB01233 Metoclopramide A03FA01 -28.405 -38.239 -38.239 867.0 Other Approved
DB01234 Dexamethasone R01AD53,D07XB05,S03BA01,R01AD03,D10AA03,S01CB01,S02CA06,S03CA01,C05AA09,D07CB04,H02AB02,S01BA01,A01AC02,S01CA01,D07AB19,S02BA06 -27.707 -22.345 -27.707 1515.0 Other Approved
DB01235 Levodopa N04BA03,N04BA01,N04BA02 -31.269 -23.218000000000004 -31.269 1305.0 Other Approved
DB01236 Sevoflurane N01AB08 -17.814 -15.691 -17.814 1944.0 Other Approved
DB01237 Bromodiphenhydramine R06AA01 -32.61 -33.152 -33.152 1202.0 Other Approved
DB01238 Aripiprazole N05AX12 -28.281 -32.391 -32.391 1252.0 Other Approved
DB01239 Chlorprothixene N05AF03 -36.931 -37.764 -37.764 907.0 Other Approved
DB01240 Epoprostenol B01AC09 -47.567 -47.824 -47.824 295.0 Other Approved
DB01241 Gemfibrozil C10AB04 -38.613 -31.528 -38.613 853.0 Other Approved
DB01242 Clomipramine N06AA04 -36.561 -29.921 -36.561 987.0 Other Approved
DB01243 Chloroxine NA -21.891 -16.207 -21.891 1823.0 NA Approved
DB01244 Bepridil C08EA02 -44.552 -43.872 -44.552 490.0 Other Approved
DB01245 Decamethonium NA -2.242 -32.531 -32.531 1239.0 NA Approved
DB01246 Alimemazine R06AD01 -34.559 -33.026 -34.559 1107.0 Other Approved
DB01247 Isocarboxazid N06AF01 -30.553 -27.822 -30.553 1348.0 Other Approved
DB01250 Olsalazine A07EC03 -38.928 -40.41 -40.41 740.0 Other Approved
DB01251 Gliquidone A10BB08 -51.002 -50.191 -51.002 157.0 Other Approved
DB01253 Ergometrine G02AB03 -37.178 -37.861 -37.861 898.0 Other Approved
DB01254 Dasatinib L01XE06 -34.48 -30.439 -34.48 1113.0 Other Approved
DB01255 Lisdexamfetamine N06BA12 -38.533 -40.771 -40.771 714.0 Other Approved
DB01256 Retapamulin D06AX13 -47.155 -41.188 -47.155 329.0 Other Approved
DB01259 Lapatinib L01XE07 -64.314 -57.024 -64.314 5.0 Other Approved
DB01260 Desonide S01BA11,D07BB02,D07AB08 -26.853 -27.196 -27.196 1554.0 Other Approved
DB01261 Sitagliptin A10BH51,A10BD24,A10BD07,A10BH01,A10BD12 -41.808 -37.515 -41.808 648.0 Other Approved
DB01262 Decitabine L01BC08 -20.959 -19.917 -20.959 1860.0 Other Approved
DB01263 Posaconazole J02AC04 -45.157 -34.104 -45.157 447.0 Antiinfectives Approved
DB01264 Darunavir J05AR14,G01AE10,J05AR22,J05AE10 -45.246 -34.69 -45.246 435.0 Protease-Inhibitors Approved
DB01265 Telbivudine J05AF11 -26.835 -26.951 -26.951 1568.0 Antivirals Approved
DB01267 Paliperidone N05AX13 -43.803 -41.468 -43.803 533.0 Other Approved
DB01268 Sunitinib L01XE04 -44.543 -42.155 -44.543 492.0 Other Approved
DB01273 Varenicline N07BA03 -26.291 -26.976 -26.976 1567.0 Other Approved
DB01274 Arformoterol R03AL09,R03AK07,R03AL07,R03AC13 -35.777 -40.856 -40.856 709.0 Other Approved
DB01275 Hydralazine C02DB02,C02LG02 -16.407 -19.681 -19.681 1896.0 Other Approved
DB01280 Nelarabine L01BB07 -27.035 -30.883000000000006 -30.883000000000006 1332.0 Other Approved
DB01283 Lumiracoxib M01AH06 -37.553 -33.023 -37.553 921.0 Other Approved
DB01288 Fenoterol R03CC04,R03AL01,G02CA03,R03AC04 -31.086 -35.35800000000001 -35.35800000000001 1058.0 Other Approved
DB01291 Pirbuterol R03CC07,R03AC08 -31.225 -28.096 -31.225 1312.0 Other Approved
DB01296 Glucosamine M01AX05 -12.386 -20.376 -20.376 1872.0 Other Approved
DB01297 Practolol C07AB01 -24.43 -15.712 -24.43 1687.0 Other Approved
DB01298 Sulfacytine G01AE10 -31.874 -27.459 -31.874 1278.0 Other Approved
DB01299 Sulfadoxine G01AE10 -32.328 -26.579 -32.328 1254.0 Other Approved
DB01301 Rolitetracycline J01AA20,J01AA09 -56.595 -46.375 -56.595 43.0 Antiinfectives Approved
DB01319 Fosamprenavir J05AE07 -60.014 -45.474 -60.014 10.0 Protease-Inhibitors Approved
DB01320 Fosphenytoin N03AB05 -46.035 -47.825 -47.825 294.0 Other Approved
DB01322 Kava NA -25.383000000000006 -26.087 -26.087 1613.0 NA Approved
DB01324 Polythiazide C03AA05,C03AB05,G01AE10 -29.294 -21.465 -29.294 1430.0 Other Approved
DB01325 Quinethazone C03BA02,G01AE10,C03BB02 -31.269 -30.795 -31.269 1305.0 Other Approved
DB01326 Cefamandole J01DC03 -52.71 -48.744 -52.71 112.0 Antiinfectives Approved
DB01327 Cefazolin J01DB04 -47.666 -37.302 -47.666 304.0 Antiinfectives Approved
DB01328 Cefonicid J01DC06 -47.05 -46.624 -47.05 335.0 Antiinfectives Approved
DB01329 Cefoperazone J01DD12 -59.077 -58.597 -59.077 19.0 Antiinfectives Approved
DB01330 Cefotetan J01DC05 -49.844 -42.99800000000001 -49.844 192.0 Antiinfectives Approved
DB01331 Cefoxitin J01DC01 -53.861 -50.744 -53.861 89.0 Antiinfectives Approved
DB01332 Ceftizoxime J01DD07 -40.476 -40.52 -40.52 732.0 Antiinfectives Approved
DB01333 Cefradine J01DB09 -45.396 -36.724 -45.396 423.0 Antiinfectives Approved
DB01336 Metocurine NA -43.742 -34.813 -43.742 536.0 NA Approved
DB01337 Pancuronium M03AC01 -47.13800000000001 -27.465 -47.13800000000001 330.0 Other Approved
DB01338 Pipecuronium M03AC06 -51.271 -42.184 -51.271 142.0 Other Approved
DB01339 Vecuronium M03AC03 -46.122 -28.514 -46.122 379.0 Other Approved
DB01340 Cilazapril C09BA08,C09AA08 -43.004 -50.481 -50.481 171.0 Other Approved
DB01348 Spirapril C09AA11 -47.986 -49.25899999999999 -49.25899999999999 217.0 Other Approved
DB01351 Amobarbital N05CA02,N05CB01 -23.706 -17.047 -23.706 1723.0 Other Approved
DB01353 Butobarbital N05CA03 -12.724 -19.957 -19.957 1887.0 Other Approved
DB01357 Mestranol NA -27.294 -28.315 -28.315 1489.0 NA Approved
DB01359 Penbutolol C07CA23,C07AA23 -26.046 -29.966 -29.966 1385.0 Other Approved
DB01364 Ephedrine S01FB02,R01AB05,C01CA26,R03CA02,A08AA56,R01AA03 -20.047 -22.932 -22.932 1768.0 Other Approved
DB01365 Mephentermine C01CA11 -20.447 -23.778 -23.778 1716.0 Other Approved
DB01366 Procaterol R03CC08,R03AC16 -28.763 -29.405 -29.405 1423.0 Other Approved
DB01367 Rasagiline N04BD02 -22.841 -23.145 -23.145 1752.0 Other Approved
DB01380 Cortisone-acetate NA -39.848 -35.465 -39.848 773.0 NA Approved
DB01382 Glymidine A10BC01,G01AE10 -31.25 -28.587 -31.25 1309.0 Other Approved
DB01392 Yohimbine G04BE04 -44.426 -29.033 -44.426 495.0 Other Approved
DB01393 Bezafibrate C10AB02 -44.777 -43.428 -44.777 471.0 Other Approved
DB01394 Colchicine M04AC01 -37.131 -32.802 -37.131 947.0 Other Approved
DB01395 Drospirenone G03AC10,G03FA17,G03AA12 -30.568 -26.217 -30.568 1346.0 Other Approved
DB01399 Salsalate N02BA06 -37.936 -33.777 -37.936 891.0 Other Approved
DB01400 Neostigmine N07AA01,S01EB06,N07AA51 -23.597 -27.249 -27.249 1549.0 Other Approved
DB01403 Methotrimeprazine N05AA02 -35.456 -39.633 -39.633 792.0 Other Approved
DB01406 Danazol G03XA01 -37.99 -25.537 -37.99 889.0 Other Approved
DB01407 Clenbuterol R03CC13,R03AC14,R03CC63 -29.267 -28.354 -29.267 1437.0 Other Approved
DB01409 Tiotropium R03AL06,R03BB04,R03BB54 -36.839 -34.976 -36.839 968.0 Other Approved
DB01410 Ciclesonide R03BA08,R01AD13 -51.258 -48.81399999999999 -51.258 143.0 Other Approved
DB01413 Cefepime J01DE01,J01RA06 -44.868 -51.231 -51.231 145.0 Antiinfectives Approved
DB01415 Ceftibuten J01DD14 -48.49 -43.567 -48.49 261.0 Antiinfectives Approved
DB01416 Cefpodoxime J01DD13 -47.757 -52.674 -52.674 113.0 Antiinfectives Approved
DB01418 Acenocoumarol B01AA07 -37.632 -36.829 -37.632 914.0 Other Approved
DB01419 Antrafenine NA -39.356 -53.556 -53.556 99.0 NA Approved
DB01420 Testosterone-propionate NA -37.381 -36.265 -37.381 933.0 NA Approved
DB01421 Paromomycin A07AA06 -45.918 -50.824 -50.824 164.0 Other Approved
DB01424 Aminophenazone N02BB53,N02BB03,N02BB73 -27.395 -30.428 -30.428 1358.0 Other Approved
DB01426 Ajmaline C01BA05 -25.131 -23.784 -25.131 1658.0 Other Approved
DB01427 Amrinone C01CE01 -20.529 -23.487 -23.487 1736.0 Other Approved
DB01428 Oxybenzone NA -28.505 -28.072 -28.505 1484.0 NA Approved
DB01430 Almitrine R07AB07 -47.802 -43.112 -47.802 297.0 Other Approved
DB01435 Antipyrine N02BB51,N02BB71,N02BB01,S02DA03 -23.369 -22.383000000000006 -23.369 1745.0 Other Approved
DB01436 Alfacalcidol A11CC03,M05BB06 -44.914 -40.149 -44.914 463.0 Other Approved
DB01437 Glutethimide N05CE01 -22.913 -25.995 -25.995 1622.0 Other Approved
DB01438 Phenazopyridine G04BX06 -30.273000000000003 -27.11 -30.273000000000003 1365.0 Other Approved
DB01440 gamma-Hydroxybutyric-acid NA -16.113 -21.946 -21.946 1819.0 NA Approved
DB01452 Diamorphine N07BC06 -38.591 -30.375 -38.591 854.0 Other Approved
DB01501 Difenoxin A07DA04 -50.192 -43.756 -50.192 179.0 Other Approved
DB01544 Flunitrazepam N05CD03 -30.56 -26.665 -30.56 1347.0 Other Approved
DB01551 Dihydrocodeine N02AA58,N02AA08,N02AJ02,N02AJ01 -25.465 -26.004 -26.004 1621.0 Other Approved
DB01558 Bromazepam N05BA08 -21.73 -26.93 -26.93 1570.0 Other Approved
DB01559 Clotiazepam N05BA21 -36.561 -32.479 -36.561 987.0 Other Approved
DB01563 Chloral-hydrate N05CC01 -11.314 -9.155 -11.314 2017.0 Other Approved
DB01576 Dextroamphetamine N06BA02 -19.633 -23.791 -23.791 1715.0 Other Approved
DB01577 Metamfetamine N06BA03 -20.901 -25.264 -25.264 1654.0 Other Approved
DB01579 Phendimetrazine NA -20.89 -24.271 -24.271 1697.0 NA Approved
DB01580 Oxprenolol C07BA02,C07AA02,C07CA02 -27.448 -27.181 -27.448 1530.0 Other Approved
DB01581 Sulfamerazine J01ED07,D06BA06,G01AE10,J01EE07 -21.961 -27.633000000000006 -27.633000000000006 1520.0 Antiinfectives Approved
DB01582 Sulfamethazine J01EB03,G01AE10,J01EE05 -19.498 -28.731 -28.731 1473.0 Antiinfectives Approved
DB01586 Ursodeoxycholic-acid A05AA02 -45.01600000000001 -42.036 -45.01600000000001 458.0 Other Approved
DB01587 Ketazolam N05BA10 -33.591 -31.194000000000006 -33.591 1180.0 Other Approved
DB01588 Prazepam N05BA11 -36.512 -26.308000000000003 -36.512 995.0 Other Approved
DB01589 Quazepam N05CD10 -31.853 -30.303 -31.853 1281.0 Other Approved
DB01591 Solifenacin G04BD08,G04CA53 -37.201 -42.368 -42.368 615.0 Other Approved
DB01595 Nitrazepam N05CD02 -27.619 -22.537 -27.619 1521.0 Other Approved
DB01597 Cilastatin J01DH51 -46.869 -38.896 -46.869 343.0 Antiinfectives Approved
DB01598 Imipenem J01DH51 -40.604 -32.859 -40.604 725.0 Antiinfectives Approved
DB01599 Probucol C10AX02 -42.749 -29.211 -42.749 593.0 Other Approved
DB01600 Tiaprofenic-acid M01AE11 -38.734 -38.744 -38.744 844.0 Other Approved
DB01601 Lopinavir J05AR10 -55.987 -52.593 -55.987 53.0 Protease-Inhibitors Approved
DB01602 Bacampicillin J01CR50,J01CA06 -44.35 -44.69300000000001 -44.69300000000001 482.0 Antiinfectives Approved
DB01603 Meticillin J01CR50,J01CF03 -36.079 -43.03 -43.03 574.0 Antiinfectives Approved
DB01604 Pivampicillin J01CR50,J01CA02 -47.053 -48.008 -48.008 281.0 Antiinfectives Approved
DB01605 Pivmecillinam J01CR50,J01CA08 -47.988 -46.648 -47.988 284.0 Antiinfectives Approved
DB01606 Tazobactam J01CG02 -29.54 -25.037 -29.54 1418.0 Antiinfectives Approved
DB01607 Ticarcillin J01CR50,J01CA13 -45.787 -43.619 -45.787 395.0 Antiinfectives Approved
DB01608 Periciazine N05AC01 -45.89 -44.324 -45.89 392.0 Other Approved
DB01609 Deferasirox V03AC03 -49.762 -43.514 -49.762 195.0 Other Approved
DB01610 Valganciclovir J05AB14 -42.09 -41.784 -42.09 633.0 Antivirals Approved
DB01611 Hydroxychloroquine P01BA02 -39.238 -28.292 -39.238 811.0 Other Approved
DB01612 Amyl-Nitrite V03AB22 NA -18.902 -18.902 1916.0 Other Approved
DB01613 Erythrityl-tetranitrate C01DA63,C01DA13 -12.373 -11.563 -12.373 2013.0 Other Approved
DB01616 Alverine A03AX08,A03AX58 -37.13 -36.022 -37.13 948.0 Other Approved
DB01618 Molindone N05AE02 -29.876 -32.751999999999995 -32.751999999999995 1221.0 Other Approved
DB01619 Phenindamine R06AX04 -32.428000000000004 -33.069 -33.069 1208.0 Other Approved
DB01620 Pheniramine R06AB05,D04AA16 -32.388000000000005 -32.46 -32.46 1245.0 Other Approved
DB01621 Pipotiazine N05AC04 -50.572 -45.242 -50.572 170.0 Other Approved
DB01623 Thiothixene N05AF04 -47.137 -35.154 -47.137 331.0 Other Approved
DB01624 Zuclopenthixol N05AF05 -41.273 -46.202 -46.202 375.0 Other Approved
DB01625 Isopropamide A03CA01,A03AB09 -34.765 -35.863 -35.863 1032.0 Other Approved
DB01626 Pargyline C02LL01,C02KC01 -22.371 -16.42 -22.371 1798.0 Other Approved
DB01627 Lincomycin J01FF02 -36.514 -34.504 -36.514 994.0 Antiinfectives Approved
DB01628 Etoricoxib M01AH05 -33.193000000000005 -33.622 -33.622 1177.0 Other Approved
DB01632 5-O-phosphono-alpha-D-ribofuranosyl-diphosphate NA -42.075 -39.537 -42.075 635.0 NA Approved
DB01638 Sorbitol B05CX02,V04CC01,A06AD18,A06AG07 -15.509 -16.408 -16.408 1980.0 Other Approved
DB01656 Roflumilast R03DX07 -40.48 -27.138 -40.48 735.0 Other Approved
DB01698 Rutin C05CA01,C05CA51 -50.407 -41.247 -50.407 174.0 Other Approved
DB01708 Prasterone G03EA03,G03XX01,A14AA07 -25.052 -30.426 -30.426 1359.0 Other Approved
DB01718 Cetrimonium D08AJ04,D11AC01,R02AA17,D08AJ02 -2.1630000000000003 -35.962 -35.962 1027.0 Other Approved
DB01744 Camphor C01EB02 -19.895 -18.301 -19.895 1891.0 Other Approved
DB01764 Dalfopristin NA -56.304 -41.765 -56.304 50.0 NA Approved
DB01783 Pantothenic-acid D03AX04,A11HA31 -28.307 -25.732 -28.307 1490.0 Other Approved
DB01914 D-glucose NA -16.715 -18.9 -18.9 1917.0 NA Approved
DB01956 Taurine NA -11.228 -17.349 -17.349 1960.0 NA Approved
DB01987 Cocarboxylase NA -38.749 -36.533 -38.749 843.0 NA Approved
DB02266 Flufenamic-acid M01AG03 -35.596 -32.655 -35.596 1045.0 Other Approved
DB02300 Calcipotriol D05AX52,D05AX02 -42.389 -39.779 -42.389 612.0 Other Approved
DB02362 Aminobenzoic-acid D02BA01,D11AX23 -19.999 -21.442 -21.442 1845.0 Other Approved
DB02513 Thymol NA -16.684 -20.527 -20.527 1869.0 NA Approved
DB02530 gamma-Aminobutyric-acid NA -22.038 -14.15 -22.038 1813.0 NA Approved
DB02546 Vorinostat L01XX38 -34.844 -35.26 -35.26 1063.0 Other Approved
DB02659 Cholic-Acid A05AA03 -41.566 -37.474 -41.566 668.0 Other Approved
DB02701 Nicotinamide A11HA01 -11.039 -18.454 -18.454 1931.0 Other Approved
DB02703 Fusidic-acid S01AA13,D09AA02,J01XC01,D06AX01 -46.58 -41.01600000000001 -46.58 361.0 Antiinfectives Approved
DB02709 Resveratrol NA -24.392 -26.705 -26.705 1583.0 NA Approved
DB02772 Sucrose NA -24.294 -21.711 -24.294 1695.0 NA Approved
DB02789 Pregnenolone NA -25.546 -27.066 -27.066 1563.0 NA Approved
DB02893 D-Methionine NA -13.099 -21.925 -21.925 1821.0 NA Approved
DB02925 Piretanide C03CA03,G01AE10 -33.845 -33.537 -33.845 1161.0 Other Approved
DB02959 Oxitriptan N06AX01 -31.802 -31.668000000000006 -31.802 1286.0 Other Approved
DB03017 Lauric-acid NA -33.441 -32.757 -33.441 1191.0 NA Approved
DB03088 Pidolic-acid A12CC08 -16.683 -20.317 -20.317 1874.0 Other Approved
DB03128 Acetylcholine S01EB09 -22.031 -16.123 -22.031 1815.0 Other Approved
DB03193 Stearic-acid NA -46.179 -47.813 -47.813 296.0 NA Approved
DB03209 Oteracil NA -13.996 -16.798 -16.798 1971.0 NA Approved
DB03247 Flavin-mononucleotide NA -53.57 -53.779 -53.779 92.0 NA Approved
DB03310 Glutathione-disulfide NA -49.484 -45.153 -49.484 209.0 NA Approved
DB03312 Brivudine J05AB15 -31.931 -29.594 -31.931 1275.0 Antivirals Approved
DB03585 Oxyphenbutazone M01AA03,M02AA04,S01BC02 -32.652 -33.336 -33.336 1194.0 Other Approved
DB03615 Ribostamycin J01GB10 -38.371 -44.618 -44.618 486.0 Antiinfectives Approved
DB03619 Deoxycholic-acid D11AX24 -41.401 -40.823 -41.401 673.0 Other Approved
DB03754 Tromethamine B05XX02,B05BB03 -18.066 -14.218 -18.066 1941.0 Other Approved
DB03756 Doconexent NA -46.504 -44.215 -46.504 364.0 NA Approved
DB03793 Benzoic-acid A16AX11,V04CG30 -20.216 -20.805 -20.805 1864.0 Other Approved
DB03796 Palmitic-Acid NA -42.002 -43.945 -43.945 522.0 NA Approved
DB03929 D-Serine NA -17.293 -10.092 -17.293 1962.0 NA Approved
DB04038 Ergosterol NA -40.913 -38.457 -40.913 708.0 NA Approved
DB04115 Berberine NA -34.369 -19.527 -34.369 1127.0 NA Approved
DB04160 Pyrophosphoric-acid NA -16.54 -23.944000000000006 -23.944000000000006 1708.0 NA Approved
DB04173 Fructose V06DC02 -14.723 -16.676 -16.676 1974.0 Other Approved
DB04209 Dequalinium D08AH01,R02AA02,G01AC05 -49.234 -38.319 -49.234 219.0 Other Approved
DB04221 Didecyldimethylammonium D08AJ06 -1.507 -27.701 -27.701 1517.0 Other Approved
DB04224 Oleic-Acid NA -47.18899999999999 -45.104 -47.18899999999999 326.0 NA Approved
DB04272 Citric-acid A09AB04 -29.029 -18.258 -29.029 1449.0 Other Approved
DB04339 Carbocisteine R05CB03 -32.305 -26.655 -32.305 1257.0 Other Approved
DB04348 Taurocholic-acid NA -40.964 -44.975 -44.975 460.0 NA Approved
DB04465 Lactose NA -26.696 -23.794 -26.696 1584.0 NA Approved
DB04540 Cholesterol NA -42.62 -40.99100000000001 -42.62 600.0 NA Approved
DB04564 Gluconolactone NA -14.367 -17.750999999999994 -17.750999999999994 1949.0 NA Approved
DB04570 Latamoxef J01DD06 -52.984 -50.00100000000001 -52.984 107.0 Antiinfectives Approved
DB04571 Trioxsalen D05BA01,D05AD01 -26.824 -23.194000000000006 -26.824 1577.0 Other Approved
DB04573 Estriol G03CC06,G03CA04 -28.838 -29.997 -29.997 1383.0 Other Approved
DB04574 Estrone-sulfate NA -32.613 -27.971 -32.613 1233.0 NA Approved
DB04575 Quinestrol NA -45.202 -28.714 -45.202 441.0 NA Approved
DB04657 Carboxin NA -27.844 -26.772 -27.844 1510.0 NA Approved
DB04703 Hesperidin NA -46.988 -43.413 -46.988 339.0 NA Approved
DB04743 Nimesulide M02AA26,M01AX17 -31.096 -34.358000000000004 -34.358000000000004 1128.0 Other Approved
DB04794 Bifonazole D01AC10,D01AC60 -41.103 -38.871 -41.103 690.0 Other Approved
DB04812 Benoxaprofen M01AE06 -31.835 -37.529 -37.529 922.0 Other Approved
DB04813 Bithionol D10AB01,P02BX01 -21.821 -35.332 -35.332 1059.0 Other Approved
DB04815 Clioquinol G01AC02,S02AA05,D09AA10,P01AA02,P01AA52,D08AH30 -12.569 -18.751 -18.751 1923.0 Other Approved
DB04816 Dantron A06AB53,A06AB03,A06AG03 -10.832 -27.149 -27.149 1558.0 Other Approved
DB04817 Metamizole N02BB72,N02BB02,N02BB52 -19.882 -36.676 -36.676 977.0 Other Approved
DB04820 Nialamide N06AF02 -38.478 -29.898000000000003 -38.478 858.0 Other Approved
DB04821 Nomifensine N06AX04 -25.528 -28.552 -28.552 1479.0 Other Approved
DB04822 Oxeladin R05DB09 -38.914 -37.849 -38.914 830.0 Other Approved
DB04824 Phenolphthalein A06AB04 -17.779 -28.808000000000003 -28.808000000000003 1471.0 Other Approved
DB04825 Prenylamine C01DX52,C01DX02 -40.151 -39.621 -40.151 755.0 Other Approved
DB04826 Thenalidine R06AX03,R06AX53,D04AA03 -31.15 -32.983000000000004 -32.983000000000004 1214.0 Other Approved
DB04832 Zimelidine N06AB02 -32.657 -32.619 -32.657 1226.0 Other Approved
DB04834 Rapacuronium NA -45.223 -28.477 -45.223 439.0 NA Approved
DB04835 Maraviroc J05AX09 -53.71100000000001 -49.847 -53.71100000000001 95.0 Antivirals Approved
DB04837 Clofedanol R05DB10 -34.453 -31.441 -34.453 1117.0 Other Approved
DB04838 Cyclandelate C04AX01 -29.405 -36.37 -36.37 1004.0 Other Approved
DB04839 Cyproterone-acetate G03HB01,G03HA01 -40.616 -23.244 -40.616 723.0 Other Approved
DB04840 Debrisoquine C02CC04 -19.359 -15.373 -19.359 1905.0 Other Approved
DB04841 Flunarizine N07CA03 -45.447 -39.13800000000001 -45.447 417.0 Other Approved
DB04842 Fluspirilene N05AG01 -34.118 -43.96100000000001 -43.96100000000001 520.0 Other Approved
DB04843 Mepenzolate A03AB12 -37.368 -40.484 -40.484 734.0 Other Approved
DB04844 Tetrabenazine N07XX06 -35.49800000000001 -30.299 -35.49800000000001 1049.0 Other Approved
DB04845 Ixabepilone L01DC04 -43.887 -34.245 -43.887 524.0 Other Approved
DB04846 Celiprolol C07AB08 -43.639 -37.39 -43.639 544.0 Other Approved
DB04854 Febuxostat M04AA03 -39.472 -31.596 -39.472 802.0 Other Approved
DB04855 Dronedarone C01BD07 -52.539 -52.778 -52.778 111.0 Other Approved
DB04861 Nebivolol C07FB12,C09DX05,C07BB12,C07AB12 -32.521 -34.947 -34.947 1082.0 Other Approved
DB04864 Huperzine-A NA -25.293000000000006 -26.449 -26.449 1597.0 NA Approved
DB04865 Omacetaxine-mepesuccinate L01XX40 -44.708 -47.206 -47.206 325.0 Other Approved
DB04868 Nilotinib L01XE08 -53.802 -50.853 -53.802 91.0 Other Approved
DB04871 Lorcaserin A08AA11 -22.647 -25.856 -25.856 1629.0 Other Approved
DB04876 Vildagliptin A10BH02,A10BD08 -29.137 -39.439 -39.439 804.0 Other Approved
DB04880 Enoximone C01CE03 -23.739 -29.075 -29.075 1447.0 Other Approved
DB04890 Bepotastine NA -44.205 -45.197 -45.197 442.0 NA Approved
DB04896 Milnacipran N06AX17 -31.783 -29.376 -31.783 1288.0 Other Approved
DB04898 Ximelagatran B01AE05 -34.476 -49.221 -49.221 221.0 Other Approved
DB04908 Flibanserin G02CX02 -32.632 -21.837 -32.632 1229.0 Other Approved
DB04918 Ceftobiprole NA -45.158 -44.398 -45.158 446.0 NA Approved
DB04920 Clevidipine C08CA16 -41.803 -38.523 -41.803 649.0 Other Approved
DB04930 Permethrin P03AC54,P03AC04 -39.532 -41.927 -41.927 639.0 Other Approved
DB04938 Ospemifene G03XC05 -42.572 -42.42100000000001 -42.572 604.0 Other Approved
DB04946 Iloperidone N05AX14 -37.834 -41.44600000000001 -41.44600000000001 670.0 Other Approved
DB04948 Lofexidine N07BC04 -14.431 -8.573 -14.431 2005.0 Other Approved
DB04951 Pirfenidone L04AX05 -24.642 -20.479 -24.642 1679.0 Other Approved
DB04953 Ezogabine N03AX21 -27.369 -32.886 -32.886 1220.0 Other Approved
DB05013 Ingenol-mebutate D06BX02 -40.537 -36.56 -40.537 730.0 Other Approved
DB05015 Belinostat L01XX49 -35.978 -33.188 -35.978 1026.0 Other Approved
DB05016 Ataluren M09AX03 -40.214 -38.105 -40.214 752.0 Other Approved
DB05018 Migalastat A16AX14 -12.608 -17.863 -17.863 1943.0 Other Approved
DB05039 Indacaterol R03AC18,R03AL04 -45.279 -47.93 -47.93 286.0 Other Approved
DB05057 Erdosteine R05CB15 -26.07 -32.962 -32.962 1215.0 Other Approved
DB05154 Pretomanid NA -31.047 -38.691 -38.691 846.0 NA Approved
DB05239 Cobimetinib L01XE38 -49.403 -47.341 -49.403 213.0 Other Approved
DB05246 Methsuximide N03AD03 -26.232 -22.281 -26.232 1609.0 Other Approved
DB05271 Rotigotine N04BC09 -36.179 -37.928 -37.928 893.0 Other Approved
DB05294 Vandetanib L01XE12 -40.824 -42.19300000000001 -42.19300000000001 627.0 Other Approved
DB05316 Pimavanserin N05AX17 -48.809 -46.387 -48.809 246.0 Other Approved
DB05351 Dexlansoprazole A02BC06 -34.506 -33.178000000000004 -34.506 1110.0 Other Approved
DB05381 Histamine L03AX14,V04CG03 -12.637 -23.076 -23.076 1757.0 Other Approved
DB05521 Telaprevir J05AP02 -56.025 -64.398 -64.398 4.0 Protease-Inhibitors Approved
DB05541 Brivaracetam N03AX23 -28.782 -24.663 -28.782 1472.0 Other Approved
DB05676 Apremilast L04AA32 -40.951 -30.744 -40.951 703.0 Other Approved
DB05812 Abiraterone L02BX03 -38.628 -30.679 -38.628 852.0 Other Approved
DB05990 Obeticholic-acid A05AA04 -48.113 -43.975 -48.113 277.0 Other Approved
DB06016 Cariprazine N05AX15 -42.462 -19.059 -42.462 606.0 Other Approved
DB06077 Lumateperone NA -44.174 -46.669 -46.669 353.0 NA Approved
DB06119 Cenobamate NA -25.509 -31.367 -31.367 1302.0 NA Approved
DB06144 Sertindole N05AE03 -40.212 -37.76 -40.212 753.0 Other Approved
DB06147 Sulfathiazole J01EB07,G01AE10,D06BA02 -18.653 -25.718000000000004 -25.718000000000004 1636.0 Antiinfectives Approved
DB06148 Mianserin N06AX03 -30.345 -32.326 -32.326 1255.0 Other Approved
DB06150 Sulfadimethoxine J01ED01,G01AE10 -34.685 -34.292 -34.685 1096.0 Antiinfectives Approved
DB06151 Acetylcysteine R05CB01,S01XA08,V03AB23 -21.942 -22.514 -22.514 1791.0 Other Approved
DB06152 Nylidrin C04AA02,G02CA02 -34.789 -35.324 -35.324 1060.0 Other Approved
DB06153 Pizotifen N02CX01 -33.578 -30.007 -33.578 1181.0 Other Approved
DB06154 Pentaerythritol-tetranitrate C01DA55,C01DA05 -12.261 -13.622 -13.622 2008.0 Other Approved
DB06155 Rimonabant A08AX01 -42.856 -41.284 -42.856 583.0 Other Approved
DB06174 Noscapine R05DA07 -34.078 -37.288 -37.288 940.0 Other Approved
DB06176 Romidepsin L01XX39 -35.547 -41.003 -41.003 701.0 Other Approved
DB06193 Pixantrone L01DB11 -50.99100000000001 -49.101000000000006 -50.99100000000001 158.0 Other Approved
DB06201 Rufinamide N03AF03 -17.721 -26.509 -26.509 1591.0 Other Approved
DB06202 Lasofoxifene G03XC03 -45.997 -44.628 -45.997 388.0 Other Approved
DB06203 Alogliptin A10BD13,A10BD09,A10BH04 -32.691 -30.363000000000003 -32.691 1224.0 Other Approved
DB06204 Tapentadol N02AX06 -32.459 -24.999 -32.459 1247.0 Other Approved
DB06207 Silodosin G04CA04 -38.658 -42.803 -42.803 587.0 Other Approved
DB06209 Prasugrel B01AC22 -41.445 -36.703 -41.445 671.0 Other Approved
DB06210 Eltrombopag B02BX05 -48.34 -45.205 -48.34 264.0 Other Approved
DB06211 Doripenem J01DH04 -46.43 -43.55 -46.43 368.0 Antiinfectives Approved
DB06212 Tolvaptan C03XA01 -49.257 -38.663 -49.257 218.0 Other Approved
DB06213 Regadenoson C01EB21 -35.767 -40.116 -40.116 758.0 Other Approved
DB06217 Vernakalant C01BG11 -25.092 -27.406 -27.406 1538.0 Other Approved
DB06218 Lacosamide N03AX18 -29.65 -33.652 -33.652 1173.0 Other Approved
DB06228 Rivaroxaban B01AF01 -44.916 -35.065 -44.916 462.0 Other Approved
DB06230 Nalmefene N07BB05 -27.709 -29.856 -29.856 1397.0 Other Approved
DB06237 Avanafil G04BE10 -48.132 -30.499 -48.132 275.0 Other Approved
DB06243 Eflornithine P01CX03,D11AX16 -22.801 -21.85 -22.801 1775.0 Other Approved
DB06249 Arzoxifene NA -35.177 -38.97 -38.97 826.0 NA Approved
DB06261 Hexaminolevulinate NA -37.058 -32.404 -37.058 954.0 NA Approved
DB06262 Droxidopa C01CA27 -29.797 -22.249 -29.797 1400.0 Other Approved
DB06267 Udenafil G04BE11 -50.089 -30.963 -50.089 185.0 Other Approved
DB06268 Sitaxentan C02KX03 -42.20399999999999 -31.254 -42.20399999999999 625.0 Other Approved
DB06274 Alvimopan A06AH02 -48.216 -43.827 -48.216 269.0 Other Approved
DB06282 Levocetirizine R06AE09 -42.14100000000001 -48.135 -48.135 274.0 Other Approved
DB06288 Amisulpride N05AL05 -22.986 -42.178 -42.178 628.0 Other Approved
DB06290 Simeprevir G01AE10,J05AP05 -62.839 -45.632 -62.839 8.0 Protease-Inhibitors Approved
DB06292 Dapagliflozin A10BK01,A10BD15,A10BD21,A10BD25 -41.378 -38.216 -41.378 674.0 Other Approved
DB06335 Saxagliptin A10BD21,A10BD25,A10BH03,A10BD10 -27.364 -33.092 -33.092 1205.0 Other Approved
DB06401 Bazedoxifene G03XC02,G03CC07 -45.287 -34.132 -45.287 431.0 Other Approved
DB06403 Ambrisentan C02KX02,C02KX52 -35.003 -37.424 -37.424 929.0 Other Approved
DB06410 Doxercalciferol H05BX03 -42.935 -39.792 -42.935 580.0 Other Approved
DB06412 Oxymetholone A14AA05 -29.022 -29.641 -29.641 1413.0 Other Approved
DB06413 Armodafinil N06BA13 -33.503 -35.231 -35.231 1064.0 Other Approved
DB06414 Etravirine J05AG04 -40.208 -43.815 -43.815 531.0 Antivirals Approved
DB06480 Prucalopride A06AX05 -28.197 -28.428 -28.428 1487.0 Other Approved
DB06589 Pazopanib L01XE11 -47.08600000000001 -47.99100000000001 -47.99100000000001 283.0 Other Approved
DB06590 Ceftaroline-fosamil J01DI02 -54.937 -40.696 -54.937 69.0 Antiinfectives Approved
DB06594 Agomelatine N06AX22 -34.666 -30.054 -34.666 1098.0 Other Approved
DB06595 Midostaurin L01XE39 -48.583 -42.959 -48.583 257.0 Other Approved
DB06603 Panobinostat L01XX42 -35.549 -44.368 -44.368 501.0 Other Approved
DB06605 Apixaban B01AF02 -45.545 -41.38399999999999 -45.545 412.0 Other Approved
DB06608 Tafenoquine NA -52.332 -38.02 -52.332 122.0 NA Approved
DB06614 Peramivir J05AH03 -34.638000000000005 -34.315 -34.638000000000005 1103.0 Antivirals Approved
DB06616 Bosutinib L01XE14 -46.902 -59.643 -59.643 14.0 Other Approved
DB06626 Axitinib L01XE17 -40.095 -40.085 -40.095 760.0 Other Approved
DB06636 Isavuconazonium NA -49.975 -41.972 -49.975 187.0 NA Approved
DB06654 Safinamide N04BD03 -34.441 -33.452 -34.441 1118.0 Other Approved
DB06684 Vilazodone N06AX24 -37.605 -25.414 -37.605 918.0 Other Approved
DB06691 Mepyramine D04AA02,R06AC01 -26.321 -29.275 -29.275 1434.0 Other Approved
DB06694 Xylometazoline R01AB06,R01AA07,S01GA53,S01GA03 -29.734 -29.252 -29.734 1405.0 Other Approved
DB06695 Dabigatran-etexilate B01AE07 -50.924 -40.255 -50.924 160.0 Other Approved
DB06697 Artemether P01BF01,P01BE02 -12.492 -22.41 -22.41 1796.0 Other Approved
DB06698 Betahistine N07CA01 -20.368 -23.664 -23.664 1725.0 Other Approved
DB06700 Desvenlafaxine N06AX23 -29.109 -28.189 -29.109 1445.0 Other Approved
DB06701 Dexmethylphenidate N06BA11 -36.528 -26.182 -36.528 992.0 Other Approved
DB06702 Fesoterodine G04BD11 -43.04 -41.486 -43.04 573.0 Other Approved
DB06704 Iobenguane V09IX01,V09IX02,V10XA02 -17.962 -24.686 -24.686 1677.0 Other Approved
DB06706 Isometheptene A03AX10 -20.155 -25.477 -25.477 1648.0 Other Approved
DB06707 Levonordefrin NA -18.522 -22.494 -22.494 1792.0 NA Approved
DB06708 Lumefantrine P01BF01 -39.923 -49.62 -49.62 204.0 Other Approved
DB06709 Methacholine NA -22.036 -17.889 -22.036 1814.0 NA Approved
DB06710 Methyltestosterone G03BA02,G03EA01,G03EK01 -35.449 -30.973000000000006 -35.449 1054.0 Other Approved
DB06711 Naphazoline R01AB02,S01GA01,S01GA51,R01AA08 -27.246 -28.224 -28.224 1497.0 Other Approved
DB06712 Nilvadipine C08CA10 -32.228 -34.422 -34.422 1122.0 Other Approved
DB06713 Norelgestromin G03AA13 -29.033 -30.082 -30.082 1378.0 Other Approved
DB06714 Propylhexedrine NA -21.435 -20.588 -21.435 1846.0 NA Approved
DB06716 Fospropofol NA -40.002 -28.937 -40.002 766.0 NA Approved
DB06717 Fosaprepitant A04AD12 -42.756 -46.676 -46.676 351.0 Other Approved
DB06718 Stanozolol A14AA02 -21.181 -26.339 -26.339 1602.0 Other Approved
DB06725 Lornoxicam M01AC05 -38.348 -30.533 -38.348 863.0 Other Approved
DB06729 Sulfaphenazole S01AB05,J01ED08,G01AE10 -33.15 -31.986 -33.15 1204.0 Antiinfectives Approved
DB06736 Aceclofenac M01AB16,M02AA25 -39.023 -38.438 -39.023 823.0 Other Approved
DB06742 Ambroxol R03CC63,R05CB06 -27.236 -20.569000000000006 -27.236 1550.0 Other Approved
DB06751 Drotaverine A03AD02 -42.669 -37.469 -42.669 597.0 Other Approved
DB06753 Triclofos N05CM07 -14.732 -26.545 -26.545 1590.0 Other Approved
DB06755 Beta-carotene A11CA02,D02BB01 -2.129 -41.275 -41.275 681.0 Other Approved
DB06756 Glycine-betaine A16AA06,A09AB02 -0.235 -13.472 -13.472 2009.0 Other Approved
DB06762 Pinacidil C02DG01,C02LX01 -33.06 -28.199 -33.06 1209.0 Other Approved
DB06764 Tetryzoline S01GA02,S01GA52,R01AB03,R01AA06 -20.151 -23.474 -23.474 1737.0 Other Approved
DB06766 Alcaftadine S01GX11 -39.626 -41.006 -41.006 700.0 Other Approved
DB06769 Bendamustine L01AA09 -51.562 -42.828 -51.562 138.0 Other Approved
DB06770 Benzyl-alcohol P03AX06 -17.555999999999994 -17.337 -17.555999999999994 1954.0 Other Approved
DB06771 Besifloxacin S01AE08 -42.56399999999999 -44.695 -44.695 480.0 Other Approved
DB06774 Capsaicin M02AB01,N01BX04 -37.332 -32.434 -37.332 936.0 Other Approved
DB06775 Carglumic-acid A16AA05 -32.393 -30.029 -32.393 1251.0 Other Approved
DB06777 Chenodeoxycholic-acid A05AA01 -41.383 -42.58 -42.58 603.0 Other Approved
DB06780 Desoxycorticosterone-acetate NA -39.544 -34.063 -39.544 797.0 NA Approved
DB06781 Difluprednate D07AC19 -45.19 -42.69600000000001 -45.19 444.0 Other Approved
DB06782 Dimercaprol V03AB09 -12.261 -16.910999999999998 -16.910999999999998 1967.0 Other Approved
DB06786 Halcinonide D07AD02 -35.157 -29.719 -35.157 1069.0 Other Approved
DB06787 Hexocyclium A03AB10 -23.121 -28.45 -28.45 1486.0 Other Approved
DB06789 Hydroxyprogesterone-caproate NA -43.776 -39.803 -43.776 534.0 NA Approved
DB06794 Lodoxamide S01GX05 -29.884 -18.773 -29.884 1395.0 Other Approved
DB06795 Mafenide G01AE10,D06BA03 -17.807000000000006 -22.947 -22.947 1767.0 Other Approved
DB06797 Mebutamate N05BC04 -23.545 -21.623 -23.545 1734.0 Other Approved
DB06799 Methenamine J01XX05 -27.022 -10.693 -27.022 1566.0 Antiinfectives Approved
DB06800 Methylnaltrexone A06AH01 -26.846 -28.861 -28.861 1461.0 Other Approved
DB06802 Nepafenac S01BC10 -34.882 -31.554 -34.882 1085.0 Other Approved
DB06803 Niclosamide P02DA01 -28.814 -18.901 -28.814 1470.0 Other Approved
DB06804 Nonoxynol-9 NA -50.717 -40.569 -50.717 167.0 NA Approved
DB06807 Phenyl-aminosalicylate NA -16.613 -30.185 -30.185 1374.0 NA Approved
DB06809 Plerixafor L03AX16 -53.524 -58.518 -58.518 23.0 Other Approved
DB06811 Polidocanol C05BB02 -34.046 -36.018 -36.018 1025.0 Other Approved
DB06813 Pralatrexate L01BA05 -55.052 -37.862 -55.052 66.0 Other Approved
DB06814 Protokylol NA -37.168 -38.234 -38.234 869.0 NA Approved
DB06815 Pyrithione D11AX12 -18.245 -8.957 -18.245 1935.0 Other Approved
DB06816 Pyrvinium P02CX01 -34.769 -35.629 -35.629 1044.0 Other Approved
DB06817 Raltegravir J05AR16,J05AX08 -45.379 -42.49800000000001 -45.379 428.0 Antivirals Approved
DB06819 Phenylbutyric-acid A16AX03 -26.154 -30.25 -30.25 1368.0 Other Approved
DB06820 Sulconazole D01AC09 -36.481 -37.317 -37.317 938.0 Other Approved
DB06821 Sulfameter J01ED04,G01AE10 -22.728 -25.724 -25.724 1635.0 Antiinfectives Approved
DB06823 Tiopronin G04BX16 -10.964 -20.498 -20.498 1870.0 Other Approved
DB06824 Triethylenetetramine A16AX12 -28.826 -20.658 -28.826 1469.0 Other Approved
DB06826 Unoprostone S01EE02 -49.658 -44.78100000000001 -49.658 202.0 Other Approved
DB06827 Viomycin NA -58.26300000000001 -57.88800000000001 -58.26300000000001 26.0 NA Approved
DB07565 Chloramphenicol-succinate NA -43.489 -40.403 -43.489 554.0 NA Approved
DB07776 Flavone NA -30.845 -22.347 -30.845 1334.0 NA Approved
DB08439 Parecoxib M01AH04 -33.206 -31.628 -33.206 1199.0 Other Approved
DB08604 Triclosan D08AE04,D09AA06 -27.489 -25.267 -27.489 1528.0 Other Approved
DB08797 Salicylamide N02BA75,N02BA55,N02BA05 -18.155 -19.31 -19.31 1908.0 Other Approved
DB08799 Antazoline R06AX05,R01AC04 -22.168000000000006 -33.992 -33.992 1153.0 Other Approved
DB08801 Dimetindene R06AB03,D04AA13 -39.539 -40.744 -40.744 716.0 Other Approved
DB08804 Nandrolone-decanoate NA -48.64 -41.35 -48.64 254.0 NA Approved
DB08809 Dichloroacetic-acid NA -10.445 -15.481 -15.481 1994.0 NA Approved
DB08814 Triflusal B01AC18 -22.896 -26.737 -26.737 1582.0 Other Approved
DB08815 Lurasidone N05AE05 -47.227 -36.023 -47.227 323.0 Other Approved
DB08816 Ticagrelor B01AC24 -48.642 -42.768 -48.642 253.0 Other Approved
DB08819 Tafluprost S01EE05 -44.282 -27.189 -44.282 504.0 Other Approved
DB08820 Ivacaftor R07AX31,R07AX02,R07AX30 -38.063 -42.139 -42.139 630.0 Other Approved
DB08822 Azilsartan-medoxomil C09CA09,C09DA09 -52.044 -50.284 -52.044 127.0 Other Approved
DB08824 Ioflupane-I-123 V09AB03 -32.701 -33.521 -33.521 1185.0 Other Approved
DB08826 Deferiprone V03AC02 -20.09 -18.684 -20.09 1883.0 Other Approved
DB08827 Lomitapide C10AX12 -50.115 -38.604 -50.115 182.0 Other Approved
DB08828 Vismodegib L01XX43 -46.107 -41.793 -46.107 380.0 Other Approved
DB08842 Acetylcarnitine N06BX12 -13.63 -21.592 -21.592 1837.0 Other Approved
DB08860 Pitavastatin C10AA08 -52.435 -50.026 -52.435 120.0 Other Approved
DB08864 Rilpivirine J05AR19,J05AR21,J05AR08,J05AG05 -52.11600000000001 -39.838 -52.11600000000001 125.0 Antivirals Approved
DB08865 Crizotinib L01XE16 -43.38800000000001 -43.32899999999999 -43.38800000000001 560.0 Other Approved
DB08867 Ulipristal G03AD02,G03XB02 -41.182 -35.586 -41.182 686.0 Other Approved
DB08868 Fingolimod L04AA27 -41.898 -33.945 -41.898 643.0 Other Approved
DB08871 Eribulin L01XX41 -52.548 -53.774 -53.774 93.0 Other Approved
DB08872 Gabapentin-enacarbil NA -32.598 -45.529 -45.529 413.0 NA Approved
DB08873 Boceprevir J05AP03 -46.418 -53.417 -53.417 100.0 Protease-Inhibitors Approved
DB08875 Cabozantinib L01XE26 -46.0 -31.484 -46.0 387.0 Other Approved
DB08877 Ruxolitinib L01XE18 -45.567 -41.31100000000001 -45.567 410.0 Other Approved
DB08880 Teriflunomide L04AA31 -19.357 -14.673 -19.357 1906.0 Other Approved
DB08881 Vemurafenib L01XE15,G01AE10 -50.83600000000001 -49.18899999999999 -50.83600000000001 163.0 Other Approved
DB08882 Linagliptin A10BH05,A10BD19,A10BD11 -53.613 -48.239 -53.613 97.0 Other Approved
DB08883 Perampanel N03AX22 -49.04 -41.045 -49.04 234.0 Other Approved
DB08887 Icosapent-ethyl NA -44.55 -35.341 -44.55 491.0 NA Approved
DB08889 Carfilzomib L01XX45 -58.919 -57.119 -58.919 20.0 Other Approved
DB08893 Mirabegron G04BD12 -40.359 -46.07100000000001 -46.07100000000001 383.0 Other Approved
DB08895 Tofacitinib L04AA29 -33.707 -26.44 -33.707 1169.0 Other Approved
DB08896 Regorafenib L01XE21 -47.343 -43.493 -47.343 314.0 Other Approved
DB08897 Aclidinium R03BB05,R03AL05 -43.886 -34.988 -43.886 525.0 Other Approved
DB08899 Enzalutamide L02BB04 -43.195 -48.843 -48.843 244.0 Other Approved
DB08901 Ponatinib L01XE24 -50.285 -50.619 -50.619 168.0 Other Approved
DB08903 Bedaquiline J04AK05 -48.295 -45.273 -48.295 266.0 Antiinfectives Approved
DB08905 Formestane L02BG02 -25.377 -30.747 -30.747 1338.0 Other Approved
DB08906 Fluticasone-furoate R03AL08,R01AD12,R03AK10,R03BA09 -41.899 -37.74 -41.899 642.0 Other Approved
DB08907 Canagliflozin A10BD16,A10BK02 -43.735 -27.748 -43.735 538.0 Other Approved
DB08908 Dimethyl-fumarate L04AX07 -10.272 -19.667 -19.667 1897.0 Other Approved
DB08909 Glycerol-phenylbutyrate A16AX09 -44.752 -42.668 -44.752 475.0 Other Approved
DB08910 Pomalidomide L04AX06 -32.239000000000004 -30.389 -32.239000000000004 1261.0 Other Approved
DB08911 Trametinib L01XE25 -49.026 -31.421 -49.026 236.0 Other Approved
DB08912 Dabrafenib L01XE23 -43.051 -40.346 -43.051 572.0 Other Approved
DB08916 Afatinib L01XE13 -47.596 -41.13399999999999 -47.596 307.0 Other Approved
DB08918 Levomilnacipran NA -27.168000000000006 -27.06 -27.168000000000006 1557.0 NA Approved
DB08930 Dolutegravir J05AX12,J05AR13,J05AR21 -36.056 -46.675 -46.675 352.0 Antivirals Approved
DB08931 Riociguat C02KX05 -47.851000000000006 -41.715 -47.851000000000006 292.0 Other Approved
DB08932 Macitentan C02KX04 -38.682 -41.017 -41.017 699.0 Other Approved
DB08933 Luliconazole D01AC18 -39.883 -38.566 -39.883 770.0 Other Approved
DB08934 Sofosbuvir J05AP08,J05AP51,J05AP55,J05AP56 -52.976000000000006 -48.398 -52.976000000000006 109.0 Antivirals Approved
DB08936 Chlorcyclizine R06AE04 -32.895 -32.029 -32.895 1219.0 Other Approved
DB08941 Isoxsuprine C04AA01 -32.598 -36.368 -36.368 1005.0 Other Approved
DB08942 Isoxicam NA -27.369 -22.556 -27.369 1544.0 NA Approved
DB08943 Isoconazole G01AF07,D01AC05,G01AF20 -38.023 -38.849 -38.849 837.0 Other Approved
DB08944 Isoaminile R05DB04 -26.89 -20.606 -26.89 1573.0 Other Approved
DB08946 Iopanoic-acid V08AC06 -36.84 -23.483 -36.84 967.0 Other Approved
DB08954 Ifenprodil C04AX28 -25.515 -40.337 -40.337 744.0 Other Approved
DB08958 Hexetidine G01AX16,A01AB12 -36.704 -30.061 -36.704 974.0 Other Approved
DB08964 Gemeprost G02AD03 -46.023 -39.314 -46.023 386.0 Other Approved
DB08965 Fusafungine R02AB03 -42.785 -33.891 -42.785 590.0 Other Approved
DB08966 Fursultiamine NA -39.583 -27.09 -39.583 795.0 NA Approved
DB08967 Dimetotiazine N02CX05 -41.685 -35.821 -41.685 657.0 Other Approved
DB08971 Fluocortolone D07AC05,D07BC03,D07CC06,S01CA04,D07XC05,H02AB03,C05AA08 -39.798 -26.164 -39.798 782.0 Other Approved
DB08973 Fluclorolone-acetonide NA -35.219 -30.337 -35.219 1065.0 NA Approved
DB08976 Floctafenine N02BG04 -39.474 -41.512 -41.512 669.0 Other Approved
DB08981 Fenbufen M01AE05 -36.968 -37.433 -37.433 928.0 Other Approved
DB08987 Etidocaine N01BB07,N01BB57 -29.484 -22.645 -29.484 1421.0 Other Approved
DB08988 Ethoheptazine NA -29.491 -28.582 -29.491 1419.0 NA Approved
DB08995 Diosmin C05CA03,C05CA53 -50.19 -35.085 -50.19 180.0 Other Approved
DB09009 Articaine N01BB58,N01BB08 -29.237 -34.488 -34.488 1112.0 Other Approved
DB09015 Canrenoic-acid C03DA02 -36.39 -38.3 -38.3 865.0 Other Approved
DB09016 Butriptyline N06AA15 -33.441 -35.014 -35.014 1077.0 Other Approved
DB09019 Bromhexine R05CB02 -27.402 -18.372 -27.402 1539.0 Other Approved
DB09020 Bisacodyl A06AB52,A06AB02,A06AG02 -43.023 -40.964 -43.023 577.0 Other Approved
DB09026 Aliskiren C09XA54,C09XA53,C09DX02,C09XA02,C09XA52 -52.158 -43.624 -52.158 124.0 Other Approved
DB09030 Vorapaxar B01AC26 -49.517 -39.16 -49.517 208.0 Other Approved
DB09031 Miltefosine L01XX09 -38.88 -32.538000000000004 -38.88 834.0 Other Approved
DB09034 Suvorexant N05CM19 -40.288 -49.666 -49.666 201.0 Other Approved
DB09038 Empagliflozin A10BD19,A10BD20,A10BK03 -46.039 -34.814 -46.039 385.0 Other Approved
DB09039 Eliglustat A16AX10 -45.947 -41.93 -45.947 390.0 Other Approved
DB09040 Efinaconazole D01AC19 -37.414 -37.639 -37.639 913.0 Other Approved
DB09042 Tedizolid-phosphate J01XX11 -30.709 -27.397 -30.709 1341.0 Antiinfectives Approved
DB09047 Finafloxacin NA -42.554 -26.893 -42.554 605.0 NA Approved
DB09048 Netupitant NA -45.099 -18.447 -45.099 452.0 NA Approved
DB09049 Naloxegol A06AH03 -55.63399999999999 -52.58 -55.63399999999999 54.0 Other Approved
DB09050 Ceftolozane J01DI54 -76.472 -72.721 -76.472 1.0 Antiinfectives Approved
DB09053 Ibrutinib L01XE27 -47.878 -45.122 -47.878 290.0 Other Approved
DB09054 Idelalisib L01XX47 -46.155 -45.272 -46.155 377.0 Other Approved
DB09055 Acipimox C10AD06 -17.436 -15.704 -17.436 1958.0 Other Approved
DB09056 Amorolfine D01AE16 -30.172 -37.785 -37.785 905.0 Other Approved
DB09060 Avibactam NA -28.207 -17.082 -28.207 1498.0 NA Approved
DB09061 Cannabidiol N03AX24 -40.817 -35.007 -40.817 711.0 Other Approved
DB09063 Ceritinib L01XE28 -53.173 -43.36 -53.173 105.0 Other Approved
DB09064 Ciprofibrate C10AB08 -32.46 -22.595 -32.46 1245.0 Other Approved
DB09068 Vortioxetine N06AX26 -33.753 -22.649 -33.753 1166.0 Other Approved
DB09069 Trimetazidine C01EB15 -29.49 -23.302 -29.49 1420.0 Other Approved
DB09070 Tibolone G03CX01 -27.621 -36.609 -36.609 982.0 Other Approved
DB09071 Tasimelteon N05CH03 -32.201 -31.372 -32.201 1265.0 Other Approved
DB09073 Palbociclib L01XE33 -43.644 -39.237 -43.644 542.0 Other Approved
DB09074 Olaparib L01XX46 -43.929 -47.095 -47.095 334.0 Other Approved
DB09075 Edoxaban B01AF03 -56.901 -52.916 -56.901 36.0 Other Approved
DB09076 Umeclidinium R03AL08,R03AL03,R03BB07 -44.027 -45.782 -45.782 396.0 Other Approved
DB09078 Lenvatinib L01XE29 -42.721 -41.249 -42.721 595.0 Other Approved
DB09079 Nintedanib L01XE31 -50.17100000000001 -48.57899999999999 -50.17100000000001 181.0 Other Approved
DB09080 Olodaterol R03AL06,R03AC19 -43.83600000000001 -41.787 -43.83600000000001 527.0 Other Approved
DB09081 Idebenone N06BX13 -46.663 -28.622 -46.663 354.0 Other Approved
DB09082 Vilanterol R03AL08,R03AK10,R03AL03 -45.717 -44.603 -45.717 399.0 Other Approved
DB09083 Ivabradine C01EB17,C07FX05,C07FX06 -43.92 -43.434 -43.92 523.0 Other Approved
DB09084 Benzydamine A01AD02,M01AX07,M02AA05,G02CC03,R02AX03 -41.705 -25.852 -41.705 655.0 Other Approved
DB09085 Tetracaine C05AD02,N01BA03,D04AB06,N01BA53,S01HA03 -32.236999999999995 -35.048 -35.048 1075.0 Other Approved
DB09086 Eugenol NA -21.696 -16.078 -21.696 1831.0 NA Approved
DB09088 Amylocaine NA -21.405 -32.617 -32.617 1231.0 NA Approved
DB09089 Trimebutine A03AA05 -36.122 -44.75899999999999 -44.75899999999999 472.0 Other Approved
DB09090 Pinaverium A03AX04 -45.195 -19.743 -45.195 443.0 Other Approved
DB09091 Tixocortol R01AD57,R01AD07,A07EA05 -36.19 -30.659 -36.19 1016.0 Other Approved
DB09092 Xanthinol C04AD02 -22.245 -34.851 -34.851 1088.0 Other Approved
DB09093 Chlortetracycline D06AA02,S01AA02,J01AA03,J01AA20,A01AB21 -44.33 -40.305 -44.33 503.0 Antiinfectives Approved
DB09095 Difluocortolone D07AC06,D07XC04,D07BC04 -30.727 -23.96 -30.727 1340.0 Other Approved
DB09096 Benzoyl-peroxide D10AE01,D10AE51 -32.083 -29.855 -32.083 1269.0 Other Approved
DB09097 Quinagolide G02CB04 -36.928 -41.617 -41.617 665.0 Other Approved
DB09101 Elvitegravir J05AR09,J05AX11,J05AR18 -50.952 -45.81800000000001 -50.952 159.0 Antivirals Approved
DB09102 Daclatasvir J05AP07 -39.018 -35.909 -39.018 824.0 Antivirals Approved
DB09110 Coenzyme-M R05CB05,V03AF01 -4.207 -21.682 -21.682 1833.0 Other Approved
DB09114 Colfosceril-palmitate R07AA01 -54.683 -48.92100000000001 -54.683 77.0 Other Approved
DB09115 Diiodohydroxyquinoline G01AC01 -12.312 -18.171 -18.171 1937.0 Other Approved
DB09117 Paraldehyde N05CC05 -16.271 -14.33 -16.271 1981.0 Other Approved
DB09118 Stiripentol N03AX17 -30.211 -17.487000000000002 -30.211 1372.0 Other Approved
DB09119 Eslicarbazepine-acetate N03AF04 -34.346 -31.537 -34.346 1129.0 Other Approved
DB09120 Zucapsaicin M02AB02 -32.262 -26.698 -32.262 1259.0 Other Approved
DB09123 Dienogest G03AB08,G03DB08,G03FA15,G03AA16 -30.007 -34.128 -34.128 1142.0 Other Approved
DB09124 Medrogestone G03FB07,G03DB03 -39.32 -34.826 -39.32 809.0 Other Approved
DB09128 Brexpiprazole N05AX16 -30.451 -34.477 -34.477 1114.0 Other Approved
DB09133 Iothalamic-acid V08AA04 -26.81 -26.507 -26.81 1579.0 Other Approved
DB09136 Isosulfan-blue NA -56.749 -50.622 -56.749 41.0 NA Approved
DB09143 Sonidegib L01XX48 -48.382 -36.542 -48.382 263.0 Other Approved
DB09144 Uridine-triacetate A16AX13 -25.523000000000003 -31.81 -31.81 1285.0 Other Approved
DB09148 Florbetaben-(18F) V09AX06 -40.622 -39.426 -40.622 722.0 Other Approved
DB09149 Florbetapir-(18F) V09AX05 -38.668 -37.935 -38.668 849.0 Other Approved
DB09151 Flutemetamol-(18F) V09AX04 -22.557 -26.635 -26.635 1585.0 Other Approved
DB09167 Dosulepin N06AA16 -37.089 -37.082 -37.089 952.0 Other Approved
DB09183 Dasabuvir J05AP09,J05AP52 -48.304 -34.456 -48.304 265.0 Antivirals Approved
DB09185 Viloxazine N06AX09 -23.011 -26.903 -26.903 1572.0 Other Approved
DB09195 Lorpiprazole NA -45.50100000000001 -29.728 -45.50100000000001 415.0 NA Approved
DB09205 Moxisylyte C04AX10,G04BE06 -32.239000000000004 -26.537 -32.239000000000004 1261.0 Other Approved
DB09209 Pholcodine R05DA08 -44.574 -28.455 -44.574 489.0 Other Approved
DB09210 Piracetam N06BX03 -18.674 -16.147000000000002 -18.674 1924.0 Other Approved
DB09212 Loxoprofen NA -34.243 -33.285 -34.243 1135.0 NA Approved
DB09213 Dexibuprofen M01AE14 -27.267 -36.6 -36.6 983.0 Other Approved
DB09214 Dexketoprofen M02AA27,N02AJ14,M01AE17 -40.222 -36.669 -40.222 751.0 Other Approved
DB09216 Tolfenamic-acid M01AG02 -37.401 -34.727 -37.401 932.0 Other Approved
DB09219 Bisoxatin A06AB09 -23.016 -32.03 -32.03 1272.0 Other Approved
DB09220 Nicorandil C01DX16 -19.5 -22.202 -22.202 1806.0 Other Approved
DB09225 Zotepine N05AX11 -38.335 -36.685 -38.335 864.0 Other Approved
DB09236 Lacidipine C08CA09 -39.186 -41.325 -41.325 679.0 Other Approved
DB09237 Levamlodipine NA -42.375 -39.575 -42.375 614.0 NA Approved
DB09238 Manidipine C08CA11,C09BB12 -40.981 -56.00899999999999 -56.00899999999999 52.0 Other Approved
DB09242 Moxonidine C02AC05,C02LC05 -41.045 -41.669 -41.669 660.0 Other Approved
DB09256 Tegafur L01BC03,L01BC53 -19.518 -24.231 -24.231 1699.0 Other Approved
DB09257 Gimeracil NA -13.799 -20.419 -20.419 1871.0 NA Approved
DB09268 Picosulfuric-acid A06AB08,A06AB58 -47.51300000000001 -40.962 -47.51300000000001 309.0 Other Approved
DB09269 Phenylacetic-acid NA -22.048 -23.391 -23.391 1743.0 NA Approved
DB09272 Eluxadoline A07DA06 -58.054 -59.48 -59.48 15.0 Other Approved
DB09274 Artesunate P01BE03,P01BF02,P01BF03,P01BF06,P01BF04 -45.596 -45.32100000000001 -45.596 408.0 Other Approved
DB09280 Lumacaftor R07AX30 -49.61 -40.141 -49.61 205.0 Other Approved
DB09282 Molsidomine C01DX12 -24.899 -25.541 -25.541 1647.0 Other Approved
DB09291 Rolapitant A04AD14 -48.929 -47.369 -48.929 241.0 Other Approved
DB09292 Sacubitril C09DX04 -54.75899999999999 -51.476000000000006 -54.75899999999999 74.0 Other Approved
DB09299 Tenofovir-alafenamide J05AR19,J05AR20,J05AR17,J05AF13,J05AR22,J05AR18 -43.142 -39.855 -43.142 567.0 Antivirals Approved
DB09300 Butylscopolamine A03DB04,A03BB01 -40.58 -38.094 -40.58 726.0 Other Approved
DB09319 Carindacillin J01CR50,J01CA05 -52.582 -52.342 -52.582 116.0 Antiinfectives Approved
DB09324 Sulbactam J01CG01 -21.602 -20.418 -21.602 1836.0 Antiinfectives Approved
DB09330 Osimertinib L01XE35 -47.322 -36.925 -47.322 316.0 Other Approved
DB09333 Iopodic-acid V08AC08,V08AC10 -34.65 -33.196 -34.65 1101.0 Other Approved
DB09335 Alatrofloxacin J01MA13 -57.81 -51.128 -57.81 30.0 Antiinfectives Approved
DB09340 Tyropanoic-acid V08AC09 -43.425 -27.489 -43.425 558.0 Other Approved
DB09342 Propoxycaine NA -23.574 -36.256 -36.256 1011.0 NA Approved
DB09343 Tipiracil NA -25.663 -29.3 -29.3 1429.0 NA Approved
DB09345 Pramocaine D04AB07,C05AD07 -29.925 -33.925 -33.925 1156.0 Other Approved
DB09346 Metrizoic-acid V08AA02 -28.641 -20.162 -28.641 1475.0 Other Approved
DB09350 Piperonyl-butoxide NA -32.144 -31.467 -32.144 1268.0 NA Approved
DB09351 Levobetaxolol NA -33.625 -27.924 -33.625 1176.0 NA Approved
DB09352 Hydroxyamphetamine NA -20.733 -22.82 -22.82 1774.0 NA Approved
DB09355 Sulfabenzamide NA -18.549 -28.913 -28.913 1458.0 NA Approved
DB09357 Dexpanthenol D03AX03,S01XA12,A11HA30 -22.268 -16.798 -22.268 1802.0 Other Approved
DB09366 Propyliodone V08AD03 -18.196 -21.529 -21.529 1841.0 Other Approved
DB09371 Norethynodrel G03FA09 -28.526 -28.49 -28.526 1483.0 Other Approved
DB09376 Lapyrium NA -39.646 -43.737 -43.737 537.0 NA Approved
DB09378 Fluprednisolone NA -39.846 -26.4 -39.846 774.0 NA Approved
DB09383 Meprednisone H02AB15 -29.45 -22.885 -29.45 1422.0 Other Approved
DB09389 Norgestrel G03FA10,G03FB01,G03AA06 -29.784 -22.835 -29.784 1403.0 Other Approved
DB09401 Isosorbide NA -14.684 -12.154000000000002 -14.684 1999.0 NA Approved
DB09403 Iocetamic-acid V08AC07 -33.04 -31.52 -33.04 1210.0 Other Approved
DB09419 Xylose NA -15.079 -17.333 -17.333 1961.0 NA Approved
DB09421 Protirelin V04CJ02 -40.702 -41.682 -41.682 658.0 Other Approved
DB09477 Enalaprilat NA -43.303 -41.479 -43.303 563.0 NA Approved
DB09480 Iofetamine-I-123 V09AB01 -24.056 -26.33 -26.33 1603.0 Other Approved
DB09488 Acrivastine R06AX18 -46.804 -51.153 -51.153 149.0 Other Approved
DB09494 Cetyl-alcohol NA -35.175 -36.784 -36.784 972.0 NA Approved
DB09495 Avobenzone NA -34.693000000000005 -35.459 -35.459 1052.0 NA Approved
DB09496 Octinoxate D02BA02 -33.3 -33.993 -33.993 1152.0 Other Approved
DB09502 Fludeoxyglucose-(18F) V09IX04 -16.023 -21.559 -21.559 1838.0 Other Approved
DB09516 Mequinol D11AX06 -7.522 -12.87 -12.87 2012.0 Other Approved
DB09526 Hydroquinone D11AX11 -10.125 -16.023 -16.023 1985.0 Other Approved
DB09534 Ecamsule NA -45.381 -33.176 -45.381 427.0 NA Approved
DB09543 Methyl-salicylate NA -21.035 -20.484 -21.035 1858.0 NA Approved
DB09552 Thonzonium NA -49.408 -49.163 -49.408 212.0 NA Approved
DB09563 Choline-C-11 NA -14.649 -12.576 -14.649 2000.0 NA Approved
DB09571 Levmetamfetamine NA -20.418 -22.841 -22.841 1772.0 NA Approved
DB11071 Phenyl-salicylate G04BX12 -29.788 -28.946 -29.788 1402.0 Other Approved
DB11073 Cetylpyridinium D08AJ03,B05CA01,R02AA06,D09AA07 -42.787 -40.175 -42.787 589.0 Other Approved
DB11085 Resorcinol D10AX02,S01AX06 -14.874 -15.827 -15.827 1990.0 Other Approved
DB11089 Docusate NA -46.338 -40.955 -46.338 371.0 NA Approved
DB11096 Meradimate NA -34.327 -32.035 -34.327 1132.0 NA Approved
DB11100 Allantoin NA -12.356 -16.812 -16.812 1970.0 NA Approved
DB11102 N-acetyltyrosine NA -27.919 -31.747 -31.747 1290.0 NA Approved
DB11115 Ensulizole NA -33.621 -32.454 -33.621 1178.0 NA Approved
DB11117 Undecylenic-acid D01AE04,D01AE54 -33.28 -33.231 -33.28 1197.0 Other Approved
DB11121 Chloroxylenol D08AE05 -17.796 -17.462 -17.796 1946.0 Other Approved
DB11125 Benzethonium R02AA09,D08AJ58,D08AJ08 -40.563 -46.572 -46.572 362.0 Other Approved
DB11145 Oxyquinoline R02AA14,A01AB07,D08AH03,G01AC30 -13.653 -15.622 -15.622 1993.0 Other Approved
DB11148 Butamben NA -22.002 -26.909 -26.909 1571.0 NA Approved
DB11155 Triclocarban NA -34.962 -30.661 -34.962 1081.0 NA Approved
DB11156 Pyrantel P02CC01 -19.328 -24.371 -24.371 1691.0 Other Approved
DB11157 Anthralin D05AC01,D05AC51 -7.636 -27.127 -27.127 1560.0 Other Approved
DB11160 Phenyltoloxamine NA -35.405 -32.974000000000004 -35.405 1055.0 NA Approved
DB11164 Bicisate NA -29.888 -24.715 -29.888 1394.0 NA Approved
DB11176 Zeaxanthin NA -41.794 -40.225 -41.794 651.0 NA Approved
DB11180 Tetrofosmin NA -32.798 -40.11 -40.11 759.0 NA Approved
DB11181 Homatropine S01FA05 -19.878 -35.219 -35.219 1065.0 Other Approved
DB11184 Oftasceine NA -52.664 -52.597 -52.664 114.0 NA Approved
DB11185 Sulisobenzone NA -34.028 -35.881 -35.881 1030.0 NA Approved
DB11186 Pentoxyverine R05DB05 -31.215 -39.843 -39.843 775.0 Other Approved
DB11190 Pantethine A11HA32 -45.387 -27.807 -45.387 425.0 Other Approved
DB11201 Menthyl-salicylate NA -32.648 -34.668 -34.668 1097.0 NA Approved
DB11206 Bemotrizinol NA -58.547 -26.7 -58.547 22.0 NA Approved
DB11207 Amiloxate NA -27.58 -29.056 -29.056 1448.0 NA Approved
DB11217 Arbutin NA -27.934 -22.897 -27.934 1507.0 NA Approved
DB11219 Enzacamene NA -29.414 -29.611 -29.611 1417.0 NA Approved
DB11221 Dioxybenzone NA -29.62 -28.563 -29.62 1416.0 NA Approved
DB11226 Ethylhexyl-methoxycrylene NA -48.659 -45.565 -48.659 252.0 NA Approved
DB11231 Lycopene NA -1.534 -51.966 -51.966 128.0 NA Approved
DB11235 Thonzylamine D04AA01,R06AC06,R01AC06 -30.82 -31.026 -31.026 1326.0 Other Approved
DB11254 Hexylresorcinol R02AA12 -26.831 -22.827 -26.831 1576.0 Other Approved
DB11256 Levomefolic-acid NA -59.874 -32.117 -59.874 11.0 NA Approved
DB11260 Diacetyl-benzoyl-lathyrol NA -38.416 -31.339 -38.416 860.0 NA Approved
DB11262 Bisoctrizole NA -54.052 -54.13 -54.13 84.0 NA Approved
DB11263 Polydatin NA -41.913 -30.125 -41.913 640.0 NA Approved
DB11268 Protocatechualdehyde NA -12.136 -19.753 -19.753 1893.0 NA Approved
DB11269 Diethylamino-hydroxybenzoyl-hexyl-benzoate NA -52.56399999999999 -46.995 -52.56399999999999 117.0 NA Approved
DB11272 Methyl-undecenoyl-leucinate NA -38.189 -36.55 -38.189 872.0 NA Approved
DB11273 Dihydroergocornine NA -47.173 -46.407 -47.173 327.0 NA Approved
DB11274 Dihydro-alpha-ergocryptine NA -50.006 -49.659 -50.006 186.0 NA Approved
DB11275 Epicriptine NA -49.234 -47.505 -49.234 219.0 NA Approved
DB11278 DL-Methylephedrine NA -21.638 -22.442 -22.442 1793.0 NA Approved
DB11279 Brilliant-green NA -46.96 -46.672 -46.96 341.0 NA Approved
DB11282 Diethyltoluamide P03BX01 -24.99 -23.748 -24.99 1668.0 Other Approved
DB11283 DL-dimyristoylphosphatidylcholine NA -56.81399999999999 -45.31 -56.81399999999999 39.0 NA Approved
DB11284 DL-dimyristoylphosphatidylglycerol NA -46.663 -48.526 -48.526 259.0 NA Approved
DB11285 Ethyl-ferulate NA -20.027 -27.2 -27.2 1553.0 NA Approved
DB11299 Vanillyl-butyl-ether NA -18.663 -24.603 -24.603 1681.0 NA Approved
DB11304 Phenoxyethanol NA -13.91 -14.505999999999998 -14.505999999999998 2004.0 NA Approved
DB11315 Methscopolamine A03CB01,S01FA03,A03BB03 -38.824 -37.375 -38.824 840.0 Other Approved
DB11323 Glycol-salicylate NA -18.663 -22.601 -22.601 1786.0 NA Approved
DB11327 Dipyrithione NA -24.883000000000006 -19.487 -24.883000000000006 1671.0 NA Approved
DB11328 Tetradecyl-hydrogen-sulfate-(ester) NA -37.796 -38.515 -38.515 857.0 NA Approved
DB11331 1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)) NA -54.31 -44.052 -54.31 82.0 NA Approved
DB11336 Kinetin NA -28.964 -29.25 -29.25 1438.0 NA Approved
DB11359 Guaiacol NA -16.067 -11.499 -16.067 1984.0 NA Approved
DB11362 Selexipag B01AC27 -51.028 -27.222 -51.028 156.0 Other Approved
DB11363 Alectinib L01XE36 -54.1 -46.382 -54.1 85.0 Other Approved
DB11386 Chlorobutanol A04AD54,A04AD04 -11.078 -11.992 -11.992 2016.0 Other Approved
DB11431 Moxidectin NA -51.907 -40.716 -51.907 132.0 NA Approved
DB11496 2-mercaptobenzothiazole NA -21.171 -15.609000000000002 -21.171 1853.0 NA Approved
DB11560 Lesinurad M04AB05 -43.088 -39.04 -43.088 569.0 Other Approved
DB11570 Padimate-O NA -32.985 -33.875 -33.875 1158.0 NA Approved
DB11577 Indigotindisulfonic-acid V04CH02 -32.364000000000004 -26.472 -32.364000000000004 1253.0 Other Approved
DB11583 Cetalkonium NA -45.119 -38.218 -45.119 451.0 NA Approved
DB11584 Pipradrol N06BX15 -29.872 -30.099 -30.099 1377.0 Other Approved
DB11586 Asunaprevir J05AP06 -55.362 -59.104 -59.104 18.0 Protease-Inhibitors Approved
DB11587 Etafedrine NA -22.59 -26.453000000000007 -26.453000000000007 1596.0 NA Approved
DB11591 Bilastine R06AX29 -45.348 -57.381 -57.381 34.0 Other Approved
DB11594 Domiphen A01AB06 -41.32899999999999 -33.056 -41.32899999999999 678.0 Other Approved
DB11596 Levoleucovorin V03AF10,V03AF04 -48.852 -32.719 -48.852 243.0 Other Approved
DB11609 Normethadone R05DA06 -35.308 -32.068000000000005 -35.308 1061.0 Other Approved
DB11610 Oxilofrine NA -15.236 -21.152 -21.152 1854.0 NA Approved
DB11611 Lifitegrast S01XA25 -46.96 -56.644 -56.644 42.0 Other Approved
DB11614 Rupatadine R06AX28 -42.135 -42.334 -42.334 617.0 Other Approved
DB11619 Gestrinone G03XA02 -33.559 -31.846 -33.559 1183.0 Other Approved
DB11622 Dehydrocholic-acid NA -42.407 -39.182 -42.407 610.0 NA Approved
DB11629 Laropiprant C10AD52 -41.777 -36.389 -41.777 652.0 Other Approved
DB11630 Temoporfin L01XD05 -56.85 -52.374 -56.85 37.0 Other Approved
DB11632 Opicapone N04BX04 -33.353 -17.592 -33.353 1193.0 Other Approved
DB11633 Isavuconazole J02AC05 -37.764 -44.914 -44.914 463.0 Antiinfectives Approved
DB11636 Nomegestrol G03AA14,G03FB12,G03DB04 -34.193000000000005 -23.795 -34.193000000000005 1137.0 Other Approved
DB11637 Delamanid J04AK06 -38.554 -18.513 -38.554 856.0 Antiinfectives Approved
DB11640 Amifampridine N07XX05 -20.64 -19.663 -20.64 1866.0 Other Approved
DB11642 Pitolisant N07XX11 -33.525 -34.457 -34.457 1116.0 Other Approved
DB11644 Tafamidis N07XX08 -19.1 -34.712 -34.712 1094.0 Other Approved
DB11660 Latanoprostene-bunod NA -47.722 -38.502 -47.722 301.0 NA Approved
DB11672 Curcumin NA -40.298 -32.857 -40.298 746.0 NA Approved
DB11691 Naldemedine A06AH05 -43.581 -51.08600000000001 -51.08600000000001 151.0 Other Approved
DB11699 Tropisetron A04AA03 -36.13800000000001 -38.361 -38.361 862.0 Other Approved
DB11712 Tezacaftor R07AX31 -40.81800000000001 -41.332 -41.332 676.0 Other Approved
DB11718 Encorafenib L01XE46 -43.347 -43.999 -43.999 518.0 Other Approved
DB11730 Ribociclib L01XE42 -43.57100000000001 -37.442 -43.57100000000001 548.0 Other Approved
DB11732 Lasmiditan NA -51.115 -46.598 -51.115 150.0 NA Approved
DB11735 Galactose V08DA02,V04CE01 -16.618 -17.812 -17.812 1945.0 Other Approved
DB11738 Rilmenidine C02AC06 -22.176 -21.717 -22.176 1807.0 Other Approved
DB11742 Ebastine R06AX22 -34.068000000000005 -47.915 -47.915 288.0 Other Approved
DB11748 Benfotiamine A11DA03 -48.548 -43.937 -48.548 258.0 Other Approved
DB11750 Clobetasol D07AD01,D07CD01 -36.56 -31.399 -36.56 989.0 Other Approved
DB11753 Rifamycin S01AA16,S02AA12,J04AB03 -56.477 -27.581 -56.477 44.0 Antiinfectives Approved
DB11757 Istradefylline NA -38.928 -23.324 -38.928 828.0 NA Approved
DB11760 Talazoparib L01XX60 -36.848 -33.651 -36.848 965.0 Other Approved
DB11768 Zytron NA -27.048 -30.868 -30.868 1333.0 NA Approved
DB11791 Capmatinib NA -43.518 -39.109 -43.518 552.0 NA Approved
DB11793 Niraparib L01XX54 -42.109 -41.299 -42.109 632.0 Other Approved
DB11799 Bictegravir J05AR20 -45.258 -45.68600000000001 -45.68600000000001 403.0 Antivirals Approved
DB11815 Tilarginine NA -23.663 -29.273000000000003 -29.273000000000003 1435.0 NA Approved
DB11817 Baricitinib L04AA37 -36.065 -40.792 -40.792 712.0 Other Approved
DB11823 Esketamine N01AX14 -24.309 -21.521 -24.309 1694.0 Other Approved
DB11827 Ertugliflozin A10BD23,A10BK04,A10BD24 -41.909 -40.332 -41.909 641.0 Other Approved
DB11828 Neratinib L01XE45 -48.363 -50.102 -50.102 184.0 Other Approved
DB11855 Revefenacin NA -43.493 -56.102 -56.102 51.0 NA Approved
DB11859 Brexanolone NA -37.741 -25.604 -37.741 909.0 NA Approved
DB11901 Apalutamide L02BB05 -51.87600000000001 -53.029 -53.029 106.0 Other Approved
DB11915 Valbenazine N07XX13 -47.048 -42.51 -47.048 336.0 Other Approved
DB11921 Deflazacort H02AB13 -37.674 -37.169 -37.674 912.0 Other Approved
DB11942 Selinexor NA -40.944 -38.207 -40.944 704.0 NA Approved
DB11943 Delafloxacin J01MA23 -44.416 -34.144 -44.416 496.0 Antiinfectives Approved
DB11951 Lemborexant NA -40.51 -40.573 -40.573 728.0 NA Approved
DB11952 Duvelisib NA -42.823 -40.474 -42.823 584.0 NA Approved
DB11963 Dacomitinib L01XE47 -47.624 -45.09 -47.624 306.0 Other Approved
DB11967 Binimetinib L01XE41 -37.527 -34.589 -37.527 923.0 Other Approved
DB11978 Glasdegib NA -43.662 -48.524 -48.524 260.0 NA Approved
DB11979 Elagolix NA -61.135 -51.301 -61.135 9.0 NA Approved
DB11986 Entrectinib NA -50.922 -45.295 -50.922 161.0 NA Approved
DB11989 Benznidazole P01CA02 -25.045 -22.835 -25.045 1661.0 Other Approved
DB11994 Diacerein M01AX21 -41.004 -42.76 -42.76 592.0 Other Approved
DB11995 Avatrombopag B02BX08,C05AD06 -47.941 -38.915 -47.941 285.0 Other Approved
DB12001 Abemaciclib L01XE50 -58.04600000000001 -56.566 -58.04600000000001 29.0 Other Approved
DB12010 Fostamatinib B02BX09 -52.31399999999999 -43.843 -52.31399999999999 123.0 Other Approved
DB12015 Alpelisib NA -44.231 -34.971 -44.231 509.0 NA Approved
DB12020 Tecovirimat NA -40.275 -36.715 -40.275 747.0 NA Approved
DB12035 Sarecycline J01AA20 -47.82 -48.691 -48.691 251.0 Antiinfectives Approved
DB12070 Letermovir J05AX18 -55.129 -43.155 -55.129 64.0 Antivirals Approved
DB12095 Telotristat-ethyl NA -41.951 -47.301 -47.301 317.0 NA Approved
DB12097 Mannitol-busulfan NA -22.966 -14.512 -22.966 1766.0 NA Approved
DB12127 Sultamicillin J01CR50,J01CR04 -43.913 -48.697 -48.697 250.0 Antiinfectives Approved
DB12130 Lorlatinib L01XE44 -37.033 -23.986 -37.033 957.0 Other Approved
DB12141 Gilteritinib NA -56.437 -48.364 -56.437 45.0 NA Approved
DB12147 Erdafitinib NA -41.105 -41.139 -41.139 689.0 NA Approved
DB12153 Citicoline N06BX06 -31.751 -44.898 -44.898 467.0 Other Approved
DB12161 Deutetrabenazine NA -35.07 -23.453000000000007 -35.07 1074.0 NA Approved
DB12243 Edaravone N07XX14 -20.182 -12.502 -20.182 1879.0 Other Approved
DB12245 Triclabendazole P02BX04 -34.641 -38.093 -38.093 879.0 Other Approved
DB12267 Brigatinib L01XE43 -54.727 -39.772 -54.727 75.0 Other Approved
DB12278 Propiverine G04BD06 -43.237 -41.24100000000001 -43.237 565.0 Other Approved
DB12293 Nefopam N02BG06 -29.631 -29.831 -29.831 1399.0 Other Approved
DB12300 P-nitrobiphenyl NA -17.094 -20.174 -20.174 1880.0 NA Approved
DB12301 Doravirine J05AR24,J05AG06 -23.352 -29.99 -29.99 1384.0 Antivirals Approved
DB12313 Dopexamine C01CA14 -49.966 -33.711 -49.966 188.0 Other Approved
DB12328 Cantharidin NA -4.978 -22.697 -22.697 1782.0 NA Approved
DB12329 Eravacycline J01AA13,J01AA20 -47.357 -39.56 -47.357 313.0 Antiinfectives Approved
DB12332 Rucaparib L01XX55 -38.527 -40.255 -40.255 748.0 Other Approved
DB12343 Temocillin J01CR50,J01CA17 -48.07 -46.512 -48.07 279.0 Antiinfectives Approved
DB12362 Diaminopropanol-tetraacetic-acid NA -34.731 -36.398 -36.398 1002.0 NA Approved
DB12364 Betrixaban B01AF04 -48.727 -39.241 -48.727 248.0 Other Approved
DB12371 Siponimod NA -51.913 -48.257 -51.913 131.0 NA Approved
DB12377 Relebactam NA -41.33 -37.674 -41.33 677.0 NA Approved
DB12401 Bromperidol N05AD06 -40.026 -40.744 -40.744 716.0 Other Approved
DB12434 Steviolbioside NA -49.112 -49.092 -49.112 231.0 NA Approved
DB12455 Omadacycline J01AA20 -47.522 -50.42100000000001 -50.42100000000001 173.0 Antiinfectives Approved
DB12473 Taurolidine B05CA05 -5.421 -19.721 -19.721 1895.0 Other Approved
DB12474 Lynestrenol G03AB02,G03AA03,G03DC03,G03FA07,G03FB02,G03AC02 -21.719 -17.643 -21.719 1828.0 Other Approved
DB12483 Copanlisib L01XX61 -50.352 -41.622 -50.352 176.0 Other Approved
DB12492 Piritramide N02AC03 -44.655 -47.372 -47.372 312.0 Other Approved
DB12500 Fedratinib NA -56.403 -37.104 -56.403 47.0 NA Approved
DB12523 Mizolastine R06AX25 -50.264 -36.724 -50.264 178.0 Other Approved
DB12532 Oxetacaine A11HA07 -47.33600000000001 -44.035 -47.33600000000001 315.0 Other Approved
DB12537 Benzodiazepine NA -20.354 -20.533 -20.533 1868.0 NA Approved
DB12554 Mebeverine A03AA04 -44.152 -40.27 -44.152 514.0 Other Approved
DB12615 Plazomicin NA -55.566 -55.574 -55.574 57.0 NA Approved
DB12667 Protionamide J04AD01 -25.542 -23.686 -25.542 1646.0 Antiinfectives Approved
DB12710 Perazine N05AB10 -42.348 -37.361 -42.348 616.0 Other Approved
DB12728 Fenpropidin NA -31.595 -34.596 -34.596 1105.0 NA Approved
DB12767 Gaxilose NA -27.744 -24.295 -27.744 1513.0 NA Approved
DB12783 Benserazide NA -33.729 -25.394 -33.729 1167.0 NA Approved
DB12789 Dinoprost G02AD01 -44.702 -42.682 -44.702 479.0 Other Approved
DB12792 Boscalid NA -38.642 -40.695 -40.695 720.0 NA Approved
DB12808 Trifarotene D10AD06 -45.127 -43.135 -45.127 450.0 Other Approved
DB12825 Lefamulin NA -49.17100000000001 -43.692 -49.17100000000001 225.0 NA Approved
DB12834 Secnidazole P01AB07,J01RA07 -15.562 -19.123 -19.123 1911.0 Antiinfectives Approved
DB12839 Pegvaliase NA -43.03 -32.704 -43.03 574.0 NA Approved
DB12867 Benperidol N05AD07 -28.488000000000003 -32.655 -32.655 1227.0 Other Approved
DB12911 Nicoboxil NA -28.275 -30.789 -30.789 1335.0 NA Approved
DB12924 Ozenoxacin D06AX14 -44.683 -43.87 -44.683 483.0 Other Approved
DB12938 Isoxaflutole NA -31.163 -30.877 -31.163 1314.0 NA Approved
DB12941 Darolutamide NA -40.658 -40.715 -40.715 718.0 NA Approved
DB12945 Dihydralazine C02LG01,C02LG51,C02DB01 -16.021 -18.895 -18.895 1918.0 Other Approved
DB12952 Methylprednisone NA -36.106 -27.866 -36.106 1020.0 NA Approved
DB12954 Terizidone J04AK03 -24.561 -34.386 -34.386 1126.0 Antiinfectives Approved
DB12978 Pexidartinib NA -46.612 -46.067 -46.612 357.0 NA Approved
DB13063 Parthenolide NA -18.649 -22.639 -22.639 1785.0 NA Approved
DB13074 Macimorelin V04CD06 -53.18600000000001 -53.237 -53.237 103.0 Other Approved
DB13100 Biguanide NA -10.688 -10.315 -10.688 2019.0 NA Approved
DB13114 Amitriptylinoxide NA -34.898 -36.047 -36.047 1023.0 NA Approved
DB13116 Norflurane NA -10.068 -9.773 -10.068 2020.0 NA Approved
DB13117 Pentafluoropropane NA -0.241 -10.925999999999998 -10.925999999999998 2018.0 NA Approved
DB13125 Lusutrombopag B02BX07 -56.357 -51.989 -56.357 48.0 Other Approved
DB13136 Fluindione B01AA12 -27.405 -27.721 -27.721 1514.0 Other Approved
DB13139 Levosalbutamol NA -29.748 -29.246 -29.748 1404.0 NA Approved
DB13146 Fluciclovine-(18F) V09IX12 -15.783 -12.414 -15.783 1991.0 Other Approved
DB13153 Levomenol NA -25.292 -28.838 -28.838 1468.0 NA Approved
DB13154 Parachlorophenol NA -16.891 -17.495 -17.495 1956.0 NA Approved
DB13155 Esculin NA -34.778 -28.165 -34.778 1089.0 NA Approved
DB13158 Clobetasone D07AB01,S01CA11,S01BA09 -34.473 -26.528 -34.473 1115.0 Other Approved
DB13166 Zofenopril C09BA15,C09AA15 -49.219 -48.334 -49.219 223.0 Other Approved
DB13167 Alclofenac M01AB06 -23.519 -29.706 -29.706 1408.0 Other Approved
DB13178 Inositol R02AA03 -14.36 -12.057 -14.36 2006.0 Other Approved
DB13180 Gluconic-Acid NA -22.419 -21.73 -22.419 1795.0 NA Approved
DB13211 Guanoxan C02CC03 -10.949000000000002 -17.529 -17.529 1955.0 Other Approved
DB13213 Butaperazine N05AB09 -50.737 -40.988 -50.737 166.0 Other Approved
DB13216 Oxolamine R05DB07 -25.854 -38.119 -38.119 878.0 Other Approved
DB13218 Mandelic-acid B05CA06,J01XX06 -22.275 -25.895 -25.895 1628.0 Antiinfectives Approved
DB13219 Medifoxamine N06AX13 -25.664 -24.678 -25.664 1638.0 Other Approved
DB13221 Apronalide N05CM12 -28.04 -21.947 -28.04 1502.0 Other Approved
DB13222 Tilbroquinol P01AA05 -22.162 -19.108 -22.162 1809.0 Other Approved
DB13225 Dibenzepin N06AA08 -14.355 -34.554 -34.554 1109.0 Other Approved
DB13228 Flosequinan C01DB01 -9.603 -25.174 -25.174 1657.0 Other Approved
DB13245 Thiram P03AA05 -18.057 -24.991 -24.991 1667.0 Other Approved
DB13246 Quinupramine N06AA23 -32.233000000000004 -24.895 -32.233000000000004 1264.0 Other Approved
DB13247 Pramiracetam N06BX16 -37.214 -27.993 -37.214 945.0 Other Approved
DB13248 Phthalylsulfathiazole G01AE10,A07AB02 -46.264 -38.871 -46.264 373.0 Other Approved
DB13253 Proxibarbal N05CA22 -21.334 -14.028 -21.334 1850.0 Other Approved
DB13256 Clothiapine N05AH06 -37.679 -35.6 -37.679 911.0 Other Approved
DB13258 Etofamide P01AC03 -40.087 -35.144 -40.087 762.0 Other Approved
DB13262 Aceclidine S01EB58,S01EB08 -20.373 -23.07 -23.07 1759.0 Other Approved
DB13265 Hexobendine C01DX06 -32.584 -24.857 -32.584 1235.0 Other Approved
DB13267 Ritiometan R01AX05 -18.386 -35.363 -35.363 1057.0 Other Approved
DB13269 Dichlorobenzyl-alcohol D06BB09 -18.844 -20.898000000000003 -20.898000000000003 1862.0 Other Approved
DB13270 Dibekacin J01GB09 -38.265 -41.697 -41.697 656.0 Antiinfectives Approved
DB13273 Sultopride N05AL02 -24.512 -39.817 -39.817 780.0 Other Approved
DB13274 Micronomicin S01AA22 -38.912 -42.928 -42.928 582.0 Other Approved
DB13277 Benziodarone C01DX54,C01DX04 -35.73 -34.317 -35.73 1039.0 Other Approved
DB13278 Bucetin N02BE04,N02BE74,N02BE54 -22.138 -15.885 -22.138 1810.0 Other Approved
DB13279 Carbocromen C01DX05 -38.179 -41.087 -41.087 691.0 Other Approved
DB13282 Benzododecinium D09AA05 -39.811 -35.835 -39.811 781.0 Other Approved
DB13284 Meticrane G01AE10,C03BA09 -22.701 -26.588 -26.588 1587.0 Other Approved
DB13286 Bumadizone M01AB07 -49.081 -41.488 -49.081 233.0 Other Approved
DB13288 Tromantadine J05AC03,D06BB02 -28.266 -26.278 -28.266 1493.0 Antivirals Approved
DB13292 Pimethixene R06AX23 -30.591 -34.704 -34.704 1095.0 Other Approved
DB13306 Chlorquinaldol P01AA04,R02AA11,G01AC03,D08AH02 -22.996 -13.822 -22.996 1764.0 Other Approved
DB13337 Pheneticillin J01CR50,J01CE05 -45.566 -30.386 -45.566 411.0 Antiinfectives Approved
DB13345 Dihydroergocristine C04AE54,C04AE04 -53.772 -50.703 -53.772 94.0 Other Approved
DB13346 Bufexamac M01AB17,M02AA09 -20.39 -27.571 -27.571 1523.0 Other Approved
DB13421 Edoxudine V08AA05 -29.966 -28.15 -29.966 1385.0 Other Approved
DB13444 Ioxitalamic-acid R03DA20 -32.419000000000004 -28.115 -32.419000000000004 1250.0 Other Approved
DB13501 Bendazac M02AA11,S01BC07 -23.493 -25.116 -25.116 1659.0 Other Approved
DB13520 Metergoline G02CB05 -48.778 -44.514 -48.778 247.0 Other Approved
DB13532 Cyclopenthiazide C03AB07,G01AE10,C03EA07,C03AA07 -32.78 -37.811 -37.811 904.0 Other Approved
DB13583 Mephenesin M03BX06 -14.084 -24.166 -24.166 1703.0 Other Approved
DB13624 Methoxyphenamine R03CB02 -23.791 -26.026 -26.026 1619.0 Other Approved
DB13628 Ethyl-hydroxybenzoate D01AE10 -16.801 -21.509 -21.509 1842.0 Other Approved
DB13657 Benorilate N02BA10 -20.912 -39.75 -39.75 787.0 Other Approved
DB13680 Naftazone C05CX02 -18.927 -20.72 -20.72 1865.0 Other Approved
DB13682 Cefpirome J01DE02 -52.746 -53.557 -53.557 98.0 Antiinfectives Approved
DB13711 Tritoqualine R06AX21 -44.162 -43.744 -44.162 512.0 Other Approved
DB13720 Diphemanil A03CA08,A03AB15 -33.82 -36.311 -36.311 1008.0 Other Approved
DB13747 Trolamine D03AX12 -12.345999999999998 -10.164 -12.345999999999998 2014.0 Other Approved
DB13766 Lidoflazine C08EX01 -37.515 -37.396 -37.515 924.0 Other Approved
DB13781 Xamoterol C01CX07 -25.595 -31.357 -31.357 1304.0 Other Approved
DB13783 Acemetacin M01AB11 -46.199 -44.00100000000001 -46.199 376.0 Other Approved
DB13801 Muzolimine C03CD01 -24.727 -31.534 -31.534 1300.0 Other Approved
DB13838 Noxytiolin B05CA07 -11.356 -15.701 -15.701 1992.0 Other Approved
DB13848 Fluorodopa-(18F) V09IX05 -28.262 -26.834 -28.262 1494.0 Other Approved
DB13851 Artemotil P01BE04 -14.800999999999998 -22.207 -22.207 1805.0 Other Approved
DB13853 Anethole-trithione A16AX02 -21.799 -18.28 -21.799 1825.0 Other Approved
DB13854 Gamolenic-acid D11AX02,D11AX52 -42.216 -38.114 -42.216 624.0 Other Approved
DB13858 Dimazole D01AE17 -22.289 -30.027 -30.027 1381.0 Other Approved
DB13867 Fluticasone R03BA05,D07AC17,R03AK11,R03AK06,R01AD58,R01AD08 -38.855 -32.076 -38.855 836.0 Other Approved
DB13872 Lormetazepam N05CD06 -31.295 -32.65 -32.65 1228.0 Other Approved
DB13873 Fenofibric-acid C10AB11 -36.048 -37.83 -37.83 902.0 Other Approved
DB13874 Enasidenib L01XX59 -48.149 -42.867 -48.149 273.0 Other Approved
DB13882 Methyl-nicotinate NA -16.942999999999998 -18.577 -18.577 1927.0 NA Approved
DB13908 Amylmetacresol NA -26.058000000000003 -25.838 -26.058000000000003 1614.0 NA Approved
DB13931 Netarsudil S01EX05 -49.221 -44.42 -49.221 221.0 Other Approved
DB13943 Testosterone-cypionate NA -43.708 -36.887 -43.708 540.0 NA Approved
DB13944 Testosterone-enanthate NA -43.26 -36.834 -43.26 564.0 NA Approved
DB13946 Testosterone-undecanoate NA -49.587 -42.599 -49.587 207.0 NA Approved
DB13947 Testosterone-enantate-benzilic-acid-hydrazone NA -63.33600000000001 -56.418 -63.33600000000001 6.0 NA Approved
DB13952 Estradiol-acetate NA -34.663000000000004 -21.836 -34.663000000000004 1099.0 NA Approved
DB13953 Estradiol-benzoate NA -46.429 -34.111 -46.429 369.0 NA Approved
DB13954 Estradiol-cypionate NA -40.028 -39.759 -40.028 764.0 NA Approved
DB13955 Estradiol-dienanthate NA -52.094 -51.802 -52.094 126.0 NA Approved
DB13956 Estradiol-valerate NA -40.07 -29.613000000000003 -40.07 763.0 NA Approved
DB13960 Bronopol NA -17.452 -12.614 -17.452 1957.0 NA Approved
DB13966 Isopropyl-myristate NA -34.753 -36.665 -36.665 978.0 NA Approved
DB13967 Patent-Blue NA -53.212 -54.771 -54.771 73.0 NA Approved
DB13970 Dioctyldimonium NA -1.812 -25.686 -25.686 1637.0 NA Approved
DB13972 Racemethionine NA -20.655 -22.839 -22.839 1773.0 NA Approved
DB13997 Baloxavir-marboxil NA -42.163 -38.283 -42.163 629.0 NA Approved
DB14001 alpha-Tocopherol-succinate NA -49.083 -51.06399999999999 -51.06399999999999 153.0 NA Approved
DB14002 D-alpha-Tocopherol-acetate NA -47.164 -35.28 -47.164 328.0 NA Approved
DB14007 Pentetic-acid NA -42.986 -19.669 -42.986 578.0 NA Approved
DB14018 Bromotheophylline R03DA20 -24.176 -23.706 -24.176 1701.0 Other Approved
DB14019 Fosnetupitant NA -45.052 -22.513 -45.052 455.0 NA Approved
DB14020 Benzoin NA -31.03 -27.983 -31.03 1325.0 NA Approved
DB14033 Acetyl-sulfisoxazole G01AE10 -16.776 -24.988000000000003 -24.988000000000003 1669.0 Other Approved
DB14075 Imidurea NA -29.167 -21.815 -29.167 1443.0 NA Approved
DB14078 Medronic-acid NA -5.438 -26.041 -26.041 1617.0 NA Approved
DB14082 Betiatide NA -33.466 -29.26 -33.466 1188.0 NA Approved
DB14083 Bisphenol-A-diglycidyl-ether NA -37.161 -39.19300000000001 -39.19300000000001 816.0 NA Approved
DB14084 Butylparaben NA -17.02 -25.945 -25.945 1625.0 NA Approved
DB14086 Cianidanol NA -26.392 -20.991 -26.392 1600.0 NA Approved
DB14089 Dimercaptosuccinic-acid NA -25.563 -21.06 -25.563 1645.0 NA Approved
DB14104 Linoleic-acid NA -45.269 -43.459 -45.269 432.0 NA Approved
DB14109 alpha-Arbutin NA -27.26 -20.15 -27.26 1548.0 NA Approved
DB14120 Phenylethyl-resorcinol NA -30.255 -26.791 -30.255 1366.0 NA Approved
DB14141 p-Phenylenediamine NA -12.715 -16.868 -16.868 1969.0 NA Approved
DB14143 Distearyldimonium NA -2.239 -33.817 -33.817 1162.0 NA Approved
DB14156 Synthetic-camphor NA -19.895 -18.301 -19.895 1891.0 NA Approved
DB14159 Oxidronic-acid NA -16.115 -14.815 -16.115 1983.0 NA Approved
DB14173 Diazolidinylurea NA -21.819000000000006 -22.273000000000003 -22.273000000000003 1801.0 NA Approved
DB14174 Dipentamethylenethiuram-disulfide NA -24.754 -32.488 -32.488 1242.0 NA Approved
DB14175 alpha-Amyl-cinnamaldehyde NA -29.177 -30.37 -30.37 1360.0 NA Approved
DB14176 Benzylparaben NA -22.184 -29.008000000000006 -29.008000000000006 1452.0 NA Approved
DB14177 Propylparaben NA -17.312 -23.51 -23.51 1735.0 NA Approved
DB14178 Tetramethylthiuram-monosulfide NA -21.439 -25.029 -25.029 1663.0 NA Approved
DB14183 Geraniol NA -21.802 -22.698 -22.698 1781.0 NA Approved
DB14184 Cinnamaldehyde NA -14.994000000000002 -20.072 -20.072 1885.0 NA Approved
DB14185 Aripiprazole-lauroxil NA -58.415 -41.362 -58.415 24.0 NA Approved
DB14186 Cinnamyl-alcohol NA -15.942 -19.907 -19.907 1890.0 NA Approved
DB14187 Hydroxycitronellal NA -21.776 -23.878 -23.878 1709.0 NA Approved
DB14188 Isoeugenol NA -20.118 -15.11 -20.118 1882.0 NA Approved
DB14191 Diphenylguanidine NA -31.089 -30.12 -31.089 1319.0 NA Approved
DB14195 4-(Isopropylamino)diphenylamine NA -25.704 -26.805 -26.805 1580.0 NA Approved
DB14196 N-Cyclohexyl-N'-phenyl-1,4-phenylenediamine NA -25.139 -37.41 -37.41 931.0 NA Approved
DB14197 Methylchloroisothiazolinone NA -16.211 -16.104 -16.211 1982.0 NA Approved
DB14199 Bromothalonil NA -0.463 -15.126 -15.126 1997.0 NA Approved
DB14200 Thiohexam NA -31.667 -28.607 -31.667 1295.0 NA Approved
DB14201 2,2'-Dibenzothiazyl-disulfide NA -31.074 -32.457 -32.457 1248.0 NA Approved
DB14202 Morpholinylmercaptobenzothiazole NA -22.529 -22.199 -22.529 1790.0 NA Approved
DB14203 Disperse-Blue-106 NA -38.272 -29.975 -38.272 866.0 NA Approved
DB14212 Methylparaben NA -13.028 -20.013 -20.013 1886.0 NA Approved
DB14476 DL-alpha-Tocopherol NA -43.548 -33.296 -43.548 550.0 NA Approved
DB14512 Mometasone-furoate NA -47.913 -39.262 -47.913 289.0 NA Approved
DB14539 Hydrocortisone-acetate NA -43.054 -35.59900000000001 -43.054 571.0 NA Approved
DB14541 Hydrocortisone-cypionate NA -40.948 -45.806 -45.806 394.0 NA Approved
DB14542 Hydrocortisone-phosphate NA -47.021 -44.302 -47.021 337.0 NA Approved
DB14543 Hydrocortisone-probutate D07AB11 -47.69600000000001 -47.13800000000001 -47.69600000000001 302.0 Other Approved
DB14544 Hydrocortisone-valerate NA -43.026 -38.277 -43.026 576.0 NA Approved
DB14545 Hydrocortisone-succinate NA -48.206 -45.63800000000001 -48.206 270.0 NA Approved
DB14555 Ursadiol NA -37.468 -32.404 -37.468 926.0 NA Approved
DB14568 Ivosidenib NA -43.967 -48.974 -48.974 239.0 NA Approved
DB14569 Tedizolid J01XX11 -19.903 -24.95 -24.95 1670.0 Antiinfectives Approved
DB14575 Eslicarbazepine N03AF04 -20.404 -29.913 -29.913 1390.0 Other Approved
DB14583 Segesterone-acetate NA -31.733 -29.6 -31.733 1291.0 NA Approved
DB14596 Loteprednol-etabonate NA -39.687 -43.64 -43.64 543.0 NA Approved
DB14627 Oxyphenisatin-acetate NA -43.097 -37.527 -43.097 568.0 NA Approved
DB14631 Prednisolone-phosphate NA -46.813 -43.813 -46.813 346.0 NA Approved
DB14632 Prednisolone-tebutate NA -45.155 -40.251 -45.155 448.0 NA Approved
DB14638 Diloxanide-furoate NA -24.543000000000006 -20.562 -24.543000000000006 1683.0 NA Approved
DB14643 Methylprednisolone-aceponate D07AC14 -46.643 -45.567 -46.643 355.0 Other Approved
DB14644 Methylprednisolone-hemisuccinate NA -51.59 -43.908 -51.59 137.0 NA Approved
DB14646 Prednisone-acetate NA -36.578 -36.362 -36.578 985.0 NA Approved
DB14649 Dexamethasone-acetate NA -40.243 -35.082 -40.243 749.0 NA Approved
DB14650 Menadiol-diphosphate NA -29.766 -38.886 -38.886 833.0 NA Approved
DB14655 Drostanolone-propionate NA -42.222 -32.97 -42.222 620.0 NA Approved
DB14656 Chlorphenesin-carbamate NA -18.581 -18.502 -18.581 1925.0 NA Approved
DB14657 Paramethasone-acetate NA -45.242 -39.041 -45.242 436.0 NA Approved
DB14658 Chloramphenicol-palmitate NA -51.03 -33.165 -51.03 155.0 NA Approved
DB14669 Betamethasone-phosphate NA -48.59 -47.057 -48.59 256.0 NA Approved
DB14674 Estramustine-phosphate NA -54.014 -43.808 -54.014 87.0 NA Approved
DB14677 Gestonorone-caproate NA -44.732 -41.496 -44.732 476.0 NA Approved
DB14703 Dexamethasone-metasulfobenzoate NA -54.19 -50.398 -54.19 83.0 NA Approved
DB14723 Larotrectinib NA -42.096 -42.603 -42.603 601.0 NA Approved
DB14725 Cefamandole-nafate NA -52.98 -48.996 -52.98 108.0 NA Approved
DB14753 Hydroxystilbamidine NA -33.467 -26.585 -33.467 1187.0 NA Approved
DB14754 Solriamfetol NA -24.313 -21.6 -24.313 1693.0 NA Approved
DB14763 Cycloguanil P01BB02 -23.587 -20.072 -23.587 1730.0 Other Approved
DB14783 Diroximel-fumarate NA -17.973 -22.796 -22.796 1776.0 NA Approved
DB14975 Voxelotor NA -42.021 -39.158 -42.021 637.0 NA Approved
DB15035 Zanubrutinib NA -49.028 -45.581 -49.028 235.0 NA Approved
DB15091 Upadacitinib NA -38.57 -39.452 -39.452 803.0 NA Approved
DB15328 Ubrogepant NA -45.74800000000001 -43.91 -45.74800000000001 397.0 NA Approved
DB15444 Elexacaftor NA -42.221 -32.806999999999995 -42.221 622.0 NA Approved
DB15465 Benzhydrocodone NA -49.154 -40.907 -49.154 227.0 NA Approved
DB15467 Cinoxate NA -27.385 -27.182 -27.385 1540.0 NA Approved
DB15477 Alloin NA -38.514 -38.644 -38.644 851.0 NA Approved
DB15480 Resorcinol-monoacetate NA -14.451 -19.424 -19.424 1903.0 NA Approved
DB15534 Colchiceine NA -37.286 -27.336 -37.286 941.0 NA Approved
DB15566 Prednisolone-acetate NA -38.167 -32.658 -38.167 874.0 NA Approved
DB15576 Ethyl-salicylate NA -22.778 -22.208 -22.778 1777.0 NA Approved
DB11574 Elbasvir J05AP54 -55.304 -48.646 -55.304 62.0 Antivirals Approved
DB11676 Galidesivir NA -34.638000000000005 -30.3 -34.638000000000005 1103.0 Antivirals Investigational
DB12466 Favipiravir J05AX27 -11.943 -18.213 -18.213 1936.0 Antivirals Approved
DB13609 Umifenovir J05AX13 -43.395 -39.314 -43.395 559.0 Antivirals Investigational
DB14761 Remdesivir NA -56.911 -46.65 -56.911 35.0 Antivirals Investigational
DB15622 Triazavirin NA -20.885 -21.54 -21.54 1839.0 Antivirals Investigational
DB15623 TMC-310911 NA -54.549 -48.601000000000006 -54.549 78.0 Protease-Inhibitors Investigational
DB15661 EIDD-2801 NA -29.822 -32.016 -32.016 1273.0 Antivirals Investigational
CID122068 desethylamodiaquine P01BF03,P01BA06 -32.505 -36.467 -36.467 998.0 Other Approved/Active-Metabolite
CID3715 indometacin M01AB11 -44.988 -39.78 -44.988 459.0 Other Approved/Active-Metabolite
CID71316501 ethionamide-sulphoxide J04AD03 -17.125999999999998 -32.243 -32.243 1260.0 Antiinfectives Approved/Active-Metabolite
CID5489029 codeine-6-glucuronide N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07 -45.392 -37.886 -45.392 424.0 Other Approved/Active-Metabolite
CID5816 adrenaline S01EA02 -19.421 -20.907 -20.907 1861.0 Other Approved/Active-Metabolite
CID129630270 5-fluoro-2-deoxyuridine-monophosphate L01BC06 -20.075 -18.256 -20.075 1884.0 Other Approved/Active-Metabolite
CID32176 6-methoxy-2-naphthylacetic-acid M01AX01 -34.419000000000004 -29.65 -34.419000000000004 1123.0 Other Approved/Active-Metabolite
CID23725128 GS-461203 J05AP08,J05AP51,J05AP55,J05AP56 -38.378 -51.527 -51.527 139.0 Antivirals Approved/Active-Metabolite
CID5360697 Dextrorphan R05DA09,N07XX59 -26.703000000000007 -30.501 -30.501 1352.0 Other Approved/Active-Metabolite
CID1032 propionic-acid M01AH04 -8.603 -15.229 -15.229 1996.0 Other Approved/Active-Metabolite
CID449381 oseltamivir-carboxylate J05AH02 -32.465 -37.88800000000001 -37.88800000000001 896.0 Antivirals Approved/Active-Metabolite
CID43260 desglymidodrine C01CA17 -15.618 -23.042 -23.042 1760.0 Other Approved/Active-Metabolite
CID10405534 R-138727 B01AC22 -36.711 -43.58600000000001 -43.58600000000001 547.0 Other Approved/Active-Metabolite
CID147525 tazarotenic-acid D05AX05 -32.933 -41.825 -41.825 647.0 Other Approved/Active-Metabolite
CID3034048 zofenoprilat C09BA15,C09AA15 -43.174 -37.591 -43.174 566.0 Other Approved/Active-Metabolite
CID5755 prednisolone A07EA03,H02AB07 -26.719 -30.236 -30.236 1370.0 Other Approved/Active-Metabolite
CID5271809 favipiravir-RTP J05AX27 -34.648 -54.326 -54.326 81.0 Antivirals Approved/Active-Metabolite
CID201587 5–aminosalicylic-acid A07EC04 -15.712 -23.174 -23.174 1751.0 Other Approved/Active-Metabolite
CID62956 fosinoprilat C09BA09,C09AA09 -54.909 -49.284 -54.909 70.0 Other Approved/Active-Metabolite
CID667490 6-mercaptopurine L04AX01 -19.927 -20.303 -20.303 1876.0 Other Approved/Active-Metabolite
CID76905 2-ethylisonicotinamide J04AD03 -16.872 -21.058000000000003 -21.058000000000003 1857.0 Antiinfectives Approved/Active-Metabolite
CID5464096 ramiprilat C09BX03,C10BX04,C09BB07,C10BX06,C09BB05,C09BA05,C09AA05 -42.661 -47.28100000000001 -47.28100000000001 319.0 Other Approved/Active-Metabolite
CID5484731 morphine-3-glucuronide N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07 -48.705 -41.806 -48.705 249.0 Other Approved/Active-Metabolite
CID76953 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide L01AX03 -22.854 -21.925 -22.854 1770.0 Other Approved/Active-Metabolite
CID130659 gemcitabine-triphosphate L01BC05 -37.902 -46.466 -46.466 365.0 Other Approved/Active-Metabolite
CID136721436 9-beta-D-arabinosylguanine L01BB07 -27.739 -30.631 -30.631 1343.0 Other Approved/Active-Metabolite
CID9908268 fingolimod-phosphate L04AA27 -49.81800000000001 -41.935 -49.81800000000001 193.0 Other Approved/Active-Metabolite
CID5463984 Benazeprilat C09BA07,C09AA07 -45.239 -34.646 -45.239 438.0 Other Approved/Active-Metabolite
CID9925873 norcodeine N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07 -27.027 -25.085 -27.027 1565.0 Other Approved/Active-Metabolite
CID183797 melagatran B01AE05 -52.418 -44.469 -52.418 121.0 Other Approved/Active-Metabolite
CID129734485 beta-hydroxy-lovastatin C10AA02,C10BA01 -46.44300000000001 -43.78100000000001 -46.44300000000001 366.0 Other Approved/Active-Metabolite
CID6420157 gemcitabine-diphosphate L01BC05 -31.081 -34.441 -34.441 1118.0 Other Approved/Active-Metabolite
CID64766 Cilazaprilat C09BA08,C09AA08 -45.924 -46.636 -46.636 356.0 Other Approved/Active-Metabolite
CID3034646 6-thioguanosine-5'-phosphate L04AX01 -43.444 -41.64 -43.444 557.0 Other Approved/Active-Metabolite
CID4075 mesalamine A07EC03 -15.725 -23.097 -23.097 1753.0 Other Approved/Active-Metabolite
CID719629 4–aminobenzoyl-beta-alanine L04AA13 -27.422 -19.77 -27.422 1534.0 Other Approved/Active-Metabolite
CID338 Salicylic-acid N02BA06 -23.173 -24.011 -24.011 1706.0 Other Approved/Active-Metabolite
CID104807 2-((3-Aminopropyl)amino)ethanethiol V03AF05 -13.481 -25.111 -25.111 1660.0 Other Approved/Active-Metabolite
CID44468216 GS-441524 Antivirals -19.801 -35.376 -35.376 1056.0 Investigational/Active-Metabolite NA
CID36273 mecillinam J01CR50,J01CA08 -37.848 -36.36 -37.848 900.0 Antiinfectives Approved/Active-Metabolite
CID10255482 5-fluorouridine-triphosphate L01BC06 -37.144 -44.505 -44.505 493.0 Other Approved/Active-Metabolite
CID9931891 ACT-333679 B01AC27 -52.653 -41.886 -52.653 115.0 Other Approved/Active-Metabolite
CID5464097 trandolaprilat C09AA10,C09BB10 -44.976000000000006 -49.743 -49.743 196.0 Other Approved/Active-Metabolite
CID104842 7-ethyl-10-hydroxy-camptothecin L01XX19 -35.532 -39.703 -39.703 788.0 Other Approved/Active-Metabolite
CID3033702 spiraprilat C09AA11 -45.545 -47.462 -47.462 310.0 Other Approved/Active-Metabolite
CID2136 amfenac S01BC10 -38.91 -40.128 -40.128 756.0 Other Approved/Active-Metabolite
CID3385 5-fluorouracil J02AX01,D01AE21 -16.535999999999998 -15.029000000000002 -16.535999999999998 1976.0 Antiinfectives Approved/Active-Metabolite
CID107994 Quinaprilat C09AA06,C09BA06 -53.247 -52.44 -53.247 102.0 Other Approved/Active-Metabolite
CID5991 ethynyl-estradiol Approved/Active-Metabolite -29.731 -26.068 -29.731 1406.0 NA NA
CID5360621 morphine-6-glucuronide N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07 -44.113 -37.161 -44.113 516.0 Other Approved/Active-Metabolite




target name atc score_pharm3D score_tanimoto best rank category classification
DB00114 Pyridoxal-phosphate A11HA06 NA -33.23 -33.23 1279.0 Other Approved
DB00118 Ademetionine A16AA02 -46.692 -43.47 -46.692 394.0 Other Approved
DB00120 Phenylalanine NA -18.184 -26.093000000000004 -26.093000000000004 1665.0 NA Approved
DB00121 Biotin A11HA05 -30.455 -28.43 -30.455 1441.0 Other Approved
DB00122 Choline NA -14.798 -15.923 -15.923 2002.0 NA Approved
DB00123 L-Lysine B05XB03 -27.406 -25.604 -27.406 1598.0 Other Approved
DB00126 Vitamin-C G01AD03,A11GA01,A11GB01,S01XA15 -16.042 -17.789 -17.789 1963.0 Other Approved
DB00128 Aspartic-acid NA -27.707 -18.932 -27.707 1582.0 NA Approved
DB00129 Ornithine A05BA06 -23.869 -21.264 -23.869 1758.0 Other Approved
DB00130 L-Glutamine A16AA03 -16.5 -20.862 -20.862 1879.0 Other Approved
DB00131 Adenosine-phosphate NA -40.749 -36.196 -40.749 766.0 NA Approved
DB00132 Linolenic-acid NA -45.624 -45.151 -45.624 463.0 NA Approved
DB00134 Methionine V03AB26 -15.576 -22.673 -22.673 1813.0 Other Approved
DB00135 Tyrosine NA -25.986 -24.012 -25.986 1674.0 NA Approved
DB00136 Calcitriol D05AX03,A11CC04 -42.13399999999999 -40.317 -42.13399999999999 676.0 Other Approved
DB00137 Lutein NA -43.254 -33.961 -43.254 606.0 NA Approved
DB00138 Cystine NA -23.372 -28.672 -28.672 1540.0 NA Approved
DB00139 Succinic-acid NA -21.384 -28.92 -28.92 1527.0 NA Approved
DB00140 Riboflavin A11HA04,S01XA26 -40.712 -37.659 -40.712 771.0 Other Approved
DB00141 N-Acetylglucosamine NA -21.743 -22.172 -22.172 1831.0 NA Approved
DB00142 Glutamic-acid A09AB01 -22.849 -20.759 -22.849 1803.0 Other Approved
DB00143 Glutathione V03AB32 -39.557 -35.379 -39.557 850.0 Other Approved
DB00144 Phosphatidyl-serine NA -42.398 -41.112