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	-42.398	654.0	NA	Approved
DB00146	Calcifediol	A11CC06	-41.883	-41.861	-41.883	693.0	Other	Approved
DB00148	Creatine	NA	-18.58	-19.069000000000006	-19.069000000000006	1934.0	NA	Approved
DB00150	Tryptophan	N06AX02	-30.215	-29.152	-30.215	1455.0	Other	Approved
DB00151	Cysteine	NA	-14.652	-15.952	-15.952	2001.0	NA	Approved
DB00152	Thiamine	A11DA01	-24.808000000000003	-32.733000000000004	-32.733000000000004	1296.0	Other	Approved
DB00153	Ergocalciferol	A11CC01	-41.628	-39.865	-41.628	713.0	Other	Approved
DB00155	Citrulline	NA	-21.653	-26.146	-26.146	1664.0	NA	Approved
DB00156	Threonine	NA	-19.601	-15.719	-19.601	1916.0	NA	Approved
DB00157	NADH	NA	-52.128	-45.826	-52.128	159.0	NA	Approved
DB00158	Folic-acid	B03AE02,B03BB01,B03AE01,B03BB51	-44.448	-31.668000000000006	-44.448	543.0	Other	Approved
DB00159	Icosapent	NA	-46.82	-42.228	-46.82	391.0	NA	Approved
DB00161	Valine	NA	-19.534	-20.438	-20.438	1891.0	NA	Approved
DB00162	Vitamin-A	V04CB01,S01XA02,D10AD02,R01AX02,A11CA01	-37.637	-37.119	-37.637	972.0	Other	Approved
DB00163	Vitamin-E	NA	-45.917	-41.143	-45.917	441.0	NA	Approved
DB00165	Pyridoxine	J04AM08,A11HA02	-18.042	-21.603	-21.603	1857.0	Antiinfectives	Approved
DB00166	Lipoic-acid	A16AX01	-23.492	-30.202	-30.202	1457.0	Other	Approved
DB00169	Vitamin-D3	M05BB09,M05BX53,M05BB07,M05BB08,A11CC55,M05BB05,A11CC05,M05BB03,M05BB04	-42.442	-39.223	-42.442	652.0	Other	Approved
DB00170	Menadione	B02BA02	-18.567	-15.627	-18.567	1946.0	Other	Approved
DB00173	Adenine	NA	-2.111	-19.951	-19.951	1910.0	NA	Approved
DB00174	Asparagine	NA	-16.570999999999998	-22.997	-22.997	1797.0	NA	Approved
DB00175	Pravastatin	C10AA03,C10BA03,C10BX02	-47.222	-47.677	-47.677	356.0	Other	Approved
DB00176	Fluvoxamine	N06AB08	-34.694	-40.418	-40.418	795.0	Other	Approved
DB00177	Valsartan	C09DX05,C10BX10,C09DA03,C09CA03,C09DX02,C09DX01,C09DB08,C09DB01,C09DX04	-49.108	-53.21	-53.21	128.0	Other	Approved
DB00178	Ramipril	C09BX03,C10BX04,C09BB07,C10BX06,C09BB05,C09BA05,C09AA05	-45.949	-47.592	-47.592	361.0	Other	Approved
DB00179	Masoprocol	L01XX10	-35.126999999999995	-31.786	-35.126999999999995	1149.0	Other	Approved
DB00180	Flunisolide	R01AD04,R03BA03	-39.613	-38.762	-39.613	848.0	Other	Approved
DB00181	Baclofen	M03BX01	-24.42	-29.826	-29.826	1479.0	Other	Approved
DB00182	Amphetamine	N06BA01	-19.621	-23.872	-23.872	1757.0	Other	Approved
DB00184	Nicotine	N07BA01	-20.59	-21.946	-21.946	1843.0	Other	Approved
DB00185	Cevimeline	N07AX03	-21.1	-15.316	-21.1	1873.0	Other	Approved
DB00186	Lorazepam	N05BA56,N05BA06	-30.693	-32.059	-32.059	1338.0	Other	Approved
DB00187	Esmolol	C07AB09	-29.272	-24.211	-29.272	1509.0	Other	Approved
DB00189	Ethchlorvynol	N05CM08	-13.623	-18.379	-18.379	1949.0	Other	Approved
DB00190	Carbidopa	NA	-28.503	-31.089	-31.089	1403.0	NA	Approved
DB00191	Phentermine	A08AA01	-20.001	-22.164	-22.164	1832.0	Other	Approved
DB00192	Indecainide	NA	-34.021	-36.791	-36.791	1037.0	NA	Approved
DB00193	Tramadol	N02AJ13,N02AJ14,N02AX02	-29.724	-28.866	-29.724	1485.0	Other	Approved
DB00194	Vidarabine	J05AB03,S01AD06	-28.548	-25.231	-28.548	1548.0	Antivirals	Approved
DB00195	Betaxolol	S01ED02,C07AB05,S01ED52	-33.46	-27.288	-33.46	1265.0	Other	Approved
DB00196	Fluconazole	J01RA07,J02AC01,D01AC15	-29.742	-37.117	-37.117	1008.0	Antiinfectives	Approved
DB00197	Troglitazone	A10BG01	-41.614	-42.162	-42.162	673.0	Other	Approved
DB00198	Oseltamivir	J05AH02	-35.775	-34.15	-35.775	1115.0	Antivirals	Approved
DB00199	Erythromycin	J01FA01,D10AF02,S01AA17,D10AF52	-44.358	-52.304	-52.304	153.0	Antiinfectives	Approved
DB00201	Caffeine	R03DA20,V04CG30,N06BC01	-5.061	-21.219	-21.219	1870.0	Other	Approved
DB00202	Succinylcholine	M03AB01	-26.688	-30.138	-30.138	1461.0	Other	Approved
DB00203	Sildenafil	G01AE10,G04BE03	-51.849	-34.352	-51.849	171.0	Other	Approved
DB00204	Dofetilide	C01BD04	-40.823	-40.966	-40.966	752.0	Other	Approved
DB00205	Pyrimethamine	P01BD01,P01BD51,P01BF04	-26.545	-25.526	-26.545	1642.0	Other	Approved
DB00206	Reserpine	C02LA51,C02AA02,C02LA01,C02LA71,C02AA52	-45.551	-49.68	-49.68	258.0	Other	Approved
DB00207	Azithromycin	J01RA07,S01AA26,J01FA10	-47.805	-57.027	-57.027	52.0	Antiinfectives	Approved
DB00208	Ticlopidine	B01AC05	-31.658	-28.481	-31.658	1368.0	Other	Approved
DB00209	Trospium	A03DA06,G04BD09	-41.87	-44.87	-44.87	522.0	Other	Approved
DB00210	Adapalene	D10AD03,D10AD53	-49.037	-45.127	-49.037	291.0	Other	Approved
DB00211	Midodrine	C01CA17	-37.055	-34.006	-37.055	1017.0	Other	Approved
DB00213	Pantoprazole	A02BD11,A02BD04,A02BC02	-25.497	-34.451	-34.451	1206.0	Other	Approved
DB00214	Torasemide	C03CA04,G01AE10	-35.271	-37.333	-37.333	991.0	Other	Approved
DB00215	Citalopram	N06AB04	-37.619	-41.41	-41.41	722.0	Other	Approved
DB00216	Eletriptan	N02CC06	-41.19	-45.236	-45.236	492.0	Other	Approved
DB00217	Bethanidine	C02CC01	-24.213	-19.827	-24.213	1745.0	Other	Approved
DB00218	Moxifloxacin	S01AE07,J01MA14	-41.872	-35.416	-41.872	694.0	Antiinfectives	Approved
DB00219	Oxyphenonium	A03AB53,A03AB03	-35.139	-37.613	-37.613	976.0	Other	Approved
DB00220	Nelfinavir	J05AE04	-53.702	-44.447	-53.702	119.0	Protease-Inhibitors	Approved
DB00221	Isoetharine	NA	-28.298	-27.151	-28.298	1555.0	NA	Approved
DB00222	Glimepiride	A10BD04,A10BB12,A10BD06	-48.063	-48.66	-48.66	308.0	Other	Approved
DB00223	Diflorasone	D07AC10	-34.853	-29.932	-34.853	1168.0	Other	Approved
DB00224	Indinavir	J05AE02	-59.839	-57.528	-59.839	22.0	Protease-Inhibitors	Approved
DB00226	Guanadrel	NA	-19.402	-19.285	-19.402	1920.0	NA	Approved
DB00227	Lovastatin	C10AA02,C10BA01	-44.232	-42.385	-44.232	556.0	Other	Approved
DB00228	Enflurane	N01AB04	-15.515	-18.166	-18.166	1955.0	Other	Approved
DB00229	Cefotiam	J01DC07	-57.771	-49.901	-57.771	43.0	Antiinfectives	Approved
DB00230	Pregabalin	N03AX16	-28.235	-25.5	-28.235	1556.0	Other	Approved
DB00231	Temazepam	N05CD07	-31.41	-31.709	-31.709	1364.0	Other	Approved
DB00232	Methyclothiazide	C03AA08,C03AB08,G01AE10	-24.745	-18.993	-24.745	1720.0	Other	Approved
DB00233	Aminosalicylic-acid	J04AA02,J04AA03,J04AA01	-16.41	-23.023000000000003	-23.023000000000003	1795.0	Antiinfectives	Approved
DB00234	Reboxetine	N06AX18	-27.617	-35.306	-35.306	1141.0	Other	Approved
DB00235	Milrinone	C01CE02	-21.941	-23.828000000000007	-23.828000000000007	1760.0	Other	Approved
DB00236	Pipobroman	L01AX02	-26.941	-23.044	-26.941	1624.0	Other	Approved
DB00237	Butabarbital	NA	-18.555	-20.261	-20.261	1901.0	NA	Approved
DB00238	Nevirapine	J05AG01,J05AR05,J05AR07	-26.551	-27.925	-27.925	1575.0	Antivirals	Approved
DB00239	Oxiconazole	D01AC11,G01AF17,G01AF20	-43.722	-44.006	-44.006	567.0	Other	Approved
DB00240	Alclometasone	D07AB10,S01BA10	-38.014	-29.095	-38.014	950.0	Other	Approved
DB00241	Butalbital	N05CB01	-24.214	-18.638	-24.214	1744.0	Other	Approved
DB00242	Cladribine	L04AA40,L01BB04	-26.274	-26.228	-26.274	1659.0	Other	Approved
DB00243	Ranolazine	C01EB18	-36.756	-39.668	-39.668	843.0	Other	Approved
DB00244	Mesalazine	A07EC02	-15.732	-24.644	-24.644	1726.0	Other	Approved
DB00245	Benzatropine	N04AC01	-35.172	-39.607	-39.607	849.0	Other	Approved
DB00246	Ziprasidone	N05AE04	-44.668	-31.012	-44.668	534.0	Other	Approved
DB00247	Methysergide	N02CA04	-37.946	-41.206	-41.206	735.0	Other	Approved
DB00248	Cabergoline	N04BC06,G02CB03	-47.972	-55.371	-55.371	79.0	Other	Approved
DB00249	Idoxuridine	J05AB02,D06BB01,S01AD01	-26.857	-28.472	-28.472	1551.0	Antivirals	Approved
DB00250	Dapsone	D10AX05,J04BA02	-16.666	-25.785	-25.785	1683.0	Antiinfectives	Approved
DB00251	Terconazole	G01AG02	-51.168	-39.34	-51.168	192.0	Other	Approved
DB00252	Phenytoin	N03AB02,N03AB52	-24.759	-29.083	-29.083	1518.0	Other	Approved
DB00253	Medrysone	S01BA08	-31.92	-28.332	-31.92	1343.0	Other	Approved
DB00254	Doxycycline	J01AA02,A01AB22,J01AA20	-44.582	-41.687	-44.582	537.0	Antiinfectives	Approved
DB00255	Diethylstilbestrol	L02AA04,L02AA01,G03CC05,G03CB02	-32.359	-30.455	-32.359	1320.0	Other	Approved
DB00256	Lymecycline	J01AA04,J01AA20	-58.238	-52.303	-58.238	38.0	Antiinfectives	Approved
DB00257	Clotrimazole	D01AC01,A01AB18,G01AF02,G01AF20	-35.847	-31.17	-35.847	1112.0	Other	Approved
DB00259	Sulfanilamide	G01AE10,J01EB06,D06BA05	-11.024	-21.674	-21.674	1855.0	Antiinfectives	Approved
DB00260	Cycloserine	J04AB01	-19.354	-15.893	-19.354	1925.0	Antiinfectives	Approved
DB00261	Anagrelide	L01XX35	-19.958	-23.708	-23.708	1765.0	Other	Approved
DB00262	Carmustine	L01AD01	-21.384	-22.03	-22.03	1841.0	Other	Approved
DB00263	Sulfisoxazole	J01EB05,S01AB02,G01AE10	-28.997	-25.045	-28.997	1524.0	Antiinfectives	Approved
DB00264	Metoprolol	C07FB02,C07FX05,C07FX03,C07FB13,C07AB02,C07BB52,C07CB02,C07BB02	-26.121	-30.285	-30.285	1449.0	Other	Approved
DB00265	Crotamiton	NA	-23.452	-19.442	-23.452	1776.0	NA	Approved
DB00266	Dicoumarol	B01AA01	-42.447	-36.0	-42.447	651.0	Other	Approved
DB00267	Cefmenoxime	J01DD05	-55.252	-51.964	-55.252	85.0	Antiinfectives	Approved
DB00268	Ropinirole	N04BC04	-37.777	-34.808	-37.777	968.0	Other	Approved
DB00270	Isradipine	C08CA03	-36.145	-34.669000000000004	-36.145	1093.0	Other	Approved
DB00271	Diatrizoate	V08AA01	-24.651	-21.085	-24.651	1723.0	Other	Approved
DB00272	Betazole	V04CG02	-12.417	-19.127	-19.127	1932.0	Other	Approved
DB00273	Topiramate	N03AX11	-25.867	-31.366	-31.366	1381.0	Other	Approved
DB00274	Cefmetazole	J01DC09	-45.705	-41.533	-45.705	455.0	Antiinfectives	Approved
DB00275	Olmesartan	C09DA08,C09DX03,C09CA08,C09DB02	-49.44	-54.081	-54.081	106.0	Other	Approved
DB00276	Amsacrine	L01XX01	-20.56	-40.506	-40.506	788.0	Other	Approved
DB00277	Theophylline	R03DA54,R03DA74,R03DA20,R03DA04,R03DB04	-22.22	-25.858	-25.858	1681.0	Other	Approved
DB00278	Argatroban	B01AE03	-49.779	-45.892	-49.779	251.0	Other	Approved
DB00279	Liothyronine	H03AA03,H03AA02	-42.636	-36.003	-42.636	640.0	Other	Approved
DB00280	Disopyramide	C01BA03	-39.49800000000001	-37.809	-39.49800000000001	853.0	Other	Approved
DB00281	Lidocaine	S01HA07,D04AB01,R02AD02,C01BB01,S02DA01,N01BB52,C05AD01,N01BB02	-26.457	-19.29	-26.457	1648.0	Other	Approved
DB00282	Pamidronic-acid	M05BA03	-27.618	-37.459	-37.459	982.0	Other	Approved
DB00283	Clemastine	D04AA14,R06AA54,R06AA04	-41.832	-42.633	-42.633	641.0	Other	Approved
DB00284	Acarbose	A10BD17,A10BF01	-44.534	-45.432	-45.432	480.0	Other	Approved
DB00285	Venlafaxine	N06AX16	-31.225	-30.733	-31.225	1391.0	Other	Approved
DB00287	Travoprost	S01EE04	-47.757	-40.7	-47.757	352.0	Other	Approved
DB00288	Amcinonide	D07AC11	-46.08	-42.539	-46.08	429.0	Other	Approved
DB00289	Atomoxetine	N06BA09	-34.721	-34.624	-34.721	1176.0	Other	Approved
DB00291	Chlorambucil	L01AA02	-44.404	-35.267	-44.404	547.0	Other	Approved
DB00292	Etomidate	N01AX07	-29.359	-30.779	-30.779	1425.0	Other	Approved
DB00293	Raltitrexed	L01BA03	-57.76	-43.899	-57.76	44.0	Other	Approved
DB00294	Etonogestrel	G03AC08	-37.329	-31.899	-37.329	992.0	Other	Approved
DB00295	Morphine	A07DA52,N02AA51,N02AA01,N02AG01	-26.629	-27.296	-27.296	1604.0	Other	Approved
DB00296	Ropivacaine	N01BB09	-28.098000000000006	-27.489	-28.098000000000006	1567.0	Other	Approved
DB00297	Bupivacaine	N01BB01,N01BB51	-32.986	-27.852	-32.986	1288.0	Other	Approved
DB00298	Dapiprazole	S01EX02	-39.947	-28.487	-39.947	820.0	Other	Approved
DB00299	Penciclovir	D06BB06,J05AB13	-34.115	-31.557	-34.115	1224.0	Antivirals	Approved
DB00300	Tenofovir-disoproxil	J05AR09,J05AR12,J05AR24,J05AR06,J05AF07,J05AR03,J05AR08,J05AR11	-44.396	-43.052	-44.396	548.0	Antivirals	Approved
DB00301	Flucloxacillin	J01CR50,J01CF05	-45.172	-42.99	-45.172	501.0	Antiinfectives	Approved
DB00302	Tranexamic-acid	B02AA02	-16.714000000000002	-32.278	-32.278	1325.0	Other	Approved
DB00303	Ertapenem	J01DH03	-47.774	-62.967	-62.967	12.0	Antiinfectives	Approved
DB00304	Desogestrel	G03AC09,G03FB10,G03AB05,G03AA09	-31.095	-27.898000000000003	-31.095	1401.0	Other	Approved
DB00305	Mitomycin	L01DC03	-30.764	-27.116	-30.764	1427.0	Other	Approved
DB00306	Talbutal	N05CA07	-23.193	-20.146	-23.193	1786.0	Other	Approved
DB00307	Bexarotene	L01XX25	-44.212	-51.188	-51.188	190.0	Other	Approved
DB00308	Ibutilide	C01BD05	-37.558	-41.92100000000001	-41.92100000000001	687.0	Other	Approved
DB00310	Chlorthalidone	G01AE10,C03EA06,C03BB04,C03BA04	-36.868	-35.117	-36.868	1028.0	Other	Approved
DB00312	Pentobarbital	N05CB01,N05CA01	-18.165	-15.203	-18.165	1956.0	Other	Approved
DB00313	Valproic-acid	N03AG01	-14.399	-22.648000000000003	-22.648000000000003	1814.0	Other	Approved
DB00315	Zolmitriptan	N02CC03	-38.016	-37.313	-38.016	949.0	Other	Approved
DB00316	Acetaminophen	N02BE71,N02BE01,N02AJ13,N02AJ17,N02BE51,N02AJ06,N02AJ01	-10.367	-21.402	-21.402	1867.0	Other	Approved
DB00317	Gefitinib	L01XE02	-46.585	-45.778	-46.585	403.0	Other	Approved
DB00318	Codeine	N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07	-29.36	-31.005	-31.005	1411.0	Other	Approved
DB00319	Piperacillin	J01CR50,J01CA12	-58.29600000000001	-53.691	-58.29600000000001	36.0	Antiinfectives	Approved
DB00320	Dihydroergotamine	N02CA51,N02CA01	-50.864	-51.76600000000001	-51.76600000000001	175.0	Other	Approved
DB00321	Amitriptyline	N06AA09,N06CA01	-36.486	-36.37300000000001	-36.486	1072.0	Other	Approved
DB00322	Floxuridine	L01BC09	-22.161	-27.645	-27.645	1583.0	Other	Approved
DB00323	Tolcapone	N04BX01	-26.871	-30.575	-30.575	1433.0	Other	Approved
DB00324	Fluorometholone	D07XB04,D07AB06,S01BA07,S01BB03,C05AA06,D07CB03,S01CB05,S01CA07,D10AA01	-37.31800000000001	-29.193	-37.31800000000001	993.0	Other	Approved
DB00327	Hydromorphone	N02AA53,N02AA03,N02AG04	-27.293000000000006	-31.741	-31.741	1360.0	Other	Approved
DB00328	Indomethacin	S01CC02,M01AB51,S01BC01,M02AA23,M01AB01,C01EB03	-44.393	-43.297	-44.393	549.0	Other	Approved
DB00330	Ethambutol	J04AK02,J04AM03,J04AM06,J04AM07	-22.228	-20.518	-22.228	1828.0	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	1984.0	Other	Approved
DB00332	Ipratropium	R03BB01,R01AX03,R03AL01,R03AL02	-37.468	-35.707	-37.468	981.0	Other	Approved
DB00333	Methadone	N07BC02,N02AC52	-34.501	-33.621	-34.501	1200.0	Other	Approved
DB00334	Olanzapine	N05AH03	-34.969	-36.252	-36.252	1087.0	Other	Approved
DB00335	Atenolol	C07CB53,C07AB03,C07FB03,C07DB01,C07BB03,C07CB03	-28.477	-35.44300000000001	-35.44300000000001	1131.0	Other	Approved
DB00336	Nitrofural	D08AF01,S02AA02,B05CA03,S01AX04,D09AA03,P01CC02	-17.532	-16.913	-17.532	1966.0	Other	Approved
DB00338	Omeprazole	A02BC01,A02BD05,A02BD01	-38.144	-37.538	-38.144	935.0	Other	Approved
DB00339	Pyrazinamide	J04AK01,J04AM06,J04AM05	-21.688	-17.549	-21.688	1853.0	Antiinfectives	Approved
DB00340	Metixene	N04AA03	-34.559	-34.122	-34.559	1197.0	Other	Approved
DB00341	Cetirizine	R06AE07	-44.927	-46.604	-46.604	401.0	Other	Approved
DB00342	Terfenadine	R06AX12	-46.918	-49.163	-49.163	283.0	Other	Approved
DB00343	Diltiazem	C08DB01,C05AE03	-37.076	-32.31	-37.076	1012.0	Other	Approved
DB00344	Protriptyline	N06AA11	-33.343	-36.148	-36.148	1092.0	Other	Approved
DB00345	Aminohippuric-acid	V04CH30	-24.364	-27.546	-27.546	1591.0	Other	Approved
DB00346	Alfuzosin	G04CA01,G04CA51	-37.614	-40.399	-40.399	798.0	Other	Approved
DB00347	Trimethadione	N03AC02	-17.215	-13.622	-17.215	1978.0	Other	Approved
DB00348	Nitisinone	A16AX04	-31.141	-31.384	-31.384	1379.0	Other	Approved
DB00349	Clobazam	N05BA09	-31.251	-21.734	-31.251	1386.0	Other	Approved
DB00350	Minoxidil	D11AX01,C02DC01	-23.083	-18.665	-23.083	1790.0	Other	Approved
DB00351	Megestrol-acetate	G03FB04,G03DB02,G03FA08,G03AC05,G03AA04,L02AB01,G03AB01	-38.31800000000001	-32.816	-38.31800000000001	923.0	Other	Approved
DB00352	Tioguanine	L01BB03	-14.58	-20.182	-20.182	1905.0	Other	Approved
DB00353	Methylergometrine	G02AC01,G02AB01	-38.14	-39.213	-39.213	865.0	Other	Approved
DB00354	Buclizine	R06AE51,R06AE01	-27.833	-48.425	-48.425	321.0	Other	Approved
DB00355	Aztreonam	J01DF01	-34.225	-45.382	-45.382	484.0	Antiinfectives	Approved
DB00356	Chlorzoxazone	M03BB03,M03BB53,M03BB73	-12.681	-13.425999999999998	-13.425999999999998	2016.0	Other	Approved
DB00357	Aminoglutethimide	L02BG01	-26.384	-30.574	-30.574	1434.0	Other	Approved
DB00358	Mefloquine	P01BF02,P01BC02	-38.905	-38.115	-38.905	885.0	Other	Approved
DB00359	Sulfadiazine	J01EE06,J01EC02,G01AE10,J01EE02	-20.876	-27.817	-27.817	1578.0	Antiinfectives	Approved
DB00360	Sapropterin	A16AX07	-26.056	-25.203000000000007	-26.056	1668.0	Other	Approved
DB00363	Clozapine	N05AH02	-32.814	-35.945	-35.945	1107.0	Other	Approved
DB00365	Grepafloxacin	J01MA11	-40.527	-33.92	-40.527	784.0	Antiinfectives	Approved
DB00366	Doxylamine	R06AA09,R06AA59	-18.947	-33.444	-33.444	1267.0	Other	Approved
DB00367	Levonorgestrel	G03AB03,G03AD01,G03AC03,G03FB09,G03AA07,G03FA11	-38.236	-33.985	-38.236	926.0	Other	Approved
DB00368	Norepinephrine	C01CA03	-16.454	-22.088	-22.088	1836.0	Other	Approved
DB00369	Cidofovir	J05AB12	-28.037	-38.13	-38.13	936.0	Antivirals	Approved
DB00370	Mirtazapine	N06AX11	-29.211	-35.147	-35.147	1148.0	Other	Approved
DB00371	Meprobamate	N05BC51,N05CX01,N05BC01	-18.752	-21.893	-21.893	1846.0	Other	Approved
DB00372	Thiethylperazine	R06AD03	-49.676	-39.488	-49.676	260.0	Other	Approved
DB00373	Timolol	C07AA06,S01ED51,C07BA06,C07DA06,S01ED01	-21.055	-31.007	-31.007	1410.0	Other	Approved
DB00374	Treprostinil	B01AC21	-41.149	-46.82899999999999	-46.82899999999999	390.0	Other	Approved
DB00376	Trihexyphenidyl	N04AA01	-33.547	-39.136	-39.136	872.0	Other	Approved
DB00377	Palonosetron	A04AA55,A04AA05	-40.939	-35.01	-40.939	753.0	Other	Approved
DB00378	Dydrogesterone	G03FA14,G03DB01,G03FB08	-35.98699999999999	-34.75	-35.98699999999999	1102.0	Other	Approved
DB00379	Mexiletine	C01BB02	-15.079	-19.723	-19.723	1913.0	Other	Approved
DB00380	Dexrazoxane	V03AF02	-15.402	-26.24	-26.24	1660.0	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	529.0	Other	Approved
DB00382	Tacrine	N06DA01	-20.322	-26.767	-26.767	1635.0	Other	Approved
DB00383	Oxyphencyclimine	A03AA01,A03CA03	-39.213	-36.725	-39.213	864.0	Other	Approved
DB00384	Triamterene	C03DB02	-27.763	-23.105	-27.763	1579.0	Other	Approved
DB00385	Valrubicin	L01DB09	-48.334	-52.29600000000001	-52.29600000000001	154.0	Other	Approved
DB00387	Procyclidine	N04AA04	-32.839	-37.588	-37.588	977.0	Other	Approved
DB00388	Phenylephrine	S01FB01,R01AB01,C01CA06,R01AA04,S01FB51,R01BA53,S01GA05,S01GA55,R01BA03	-13.909	-21.234	-21.234	1869.0	Other	Approved
DB00389	Carbimazole	H03BB01	-18.832	-25.027	-25.027	1711.0	Other	Approved
DB00391	Sulpiride	N05AL01	-30.832	-40.93	-40.93	756.0	Other	Approved
DB00392	Profenamine	N04AA05	-36.793	-25.496	-36.793	1035.0	Other	Approved
DB00393	Nimodipine	C08CA06	-33.175	-39.692	-39.692	841.0	Other	Approved
DB00394	Beclomethasone-dipropionate	D07CC04,R03BA01,R03AL09,D07AC15,R03AK08,R03AK13,R01AD01,A07EA07	-44.695	-40.172	-44.695	532.0	Other	Approved
DB00395	Carisoprodol	M03BA02,M03BA72,M03BA52	-27.123	-32.913000000000004	-32.913000000000004	1291.0	Other	Approved
DB00396	Progesterone	G03FA04,G03DA04	-39.389	-26.608	-39.389	858.0	Other	Approved
DB00397	Phenylpropanolamine	R01BA51,R01BA01	-19.283	-23.073	-23.073	1792.0	Other	Approved
DB00398	Sorafenib	L01XE05	-43.024	-45.097	-45.097	506.0	Other	Approved
DB00399	Zoledronic-acid	M05BB08,M05BA08	-22.225	-28.164	-28.164	1564.0	Other	Approved
DB00400	Griseofulvin	D01BA01,D01AA08	-21.155	-30.129	-30.129	1462.0	Other	Approved
DB00401	Nisoldipine	C08CA07	-35.79400000000001	-36.49	-36.49	1071.0	Other	Approved
DB00402	Eszopiclone	N05CF04	-24.532	-42.684	-42.684	637.0	Other	Approved
DB00404	Alprazolam	N05BA12	-36.752	-35.005	-36.752	1039.0	Other	Approved
DB00405	Dexbrompheniramine	R06AB06,R06AB56	-33.659	-32.82	-33.659	1250.0	Other	Approved
DB00406	Gentian-Violet	G01AX09,D01AE02	-40.238	-43.137	-43.137	610.0	Other	Approved
DB00408	Loxapine	N05AH01	-28.88	-37.021	-37.021	1021.0	Other	Approved
DB00409	Remoxipride	N05AL04	-22.922	-36.616	-36.616	1053.0	Other	Approved
DB00410	Mupirocin	R01AX06,D06AX09	-49.147	-45.62600000000001	-49.147	286.0	Other	Approved
DB00411	Carbachol	N07AB01,S01EB02	-18.373	-18.385	-18.385	1948.0	Other	Approved
DB00412	Rosiglitazone	A10BD04,A10BG02,A10BD03	-34.868	-28.24	-34.868	1165.0	Other	Approved
DB00413	Pramipexole	N04BC05	-18.321	-28.085	-28.085	1568.0	Other	Approved
DB00414	Acetohexamide	A10BB31	-27.713	-41.277	-41.277	730.0	Other	Approved
DB00415	Ampicillin	J01CR50,J01CA51,J01CA01,S01AA19	-42.01600000000001	-40.633	-42.01600000000001	685.0	Antiinfectives	Approved
DB00417	Phenoxymethylpenicillin	J01CR50,J01CE10,J01CE02	-47.445	-28.896	-47.445	363.0	Antiinfectives	Approved
DB00418	Secobarbital	N05CB01,N05CA06	-28.205	-24.022	-28.205	1562.0	Other	Approved
DB00419	Miglustat	A16AX06	-18.781	-15.317	-18.781	1941.0	Other	Approved
DB00420	Promazine	N05AA03	-36.846	-35.08	-36.846	1030.0	Other	Approved
DB00421	Spironolactone	C03DA01	-36.836	-34.108000000000004	-36.836	1033.0	Other	Approved
DB00422	Methylphenidate	N06BA04	-37.25	-26.976	-37.25	1000.0	Other	Approved
DB00423	Methocarbamol	M03BA73,M03BA03,M03BA53	-15.84	-22.421	-22.421	1821.0	Other	Approved
DB00424	Hyoscyamine	A03BA03,A03CB31	-36.79	-37.976	-37.976	954.0	Other	Approved
DB00425	Zolpidem	N05CF02	-35.75	-36.525	-36.525	1068.0	Other	Approved
DB00426	Famciclovir	J05AB09,S01AD07	-30.712	-34.532	-34.532	1199.0	Antivirals	Approved
DB00427	Triprolidine	R06AX07	-36.779	-38.947	-38.947	882.0	Other	Approved
DB00428	Streptozocin	L01AD04	-23.595	-18.219	-23.595	1770.0	Other	Approved
DB00430	Cefpiramide	J01DD11	-53.865	-49.271	-53.865	111.0	Antiinfectives	Approved
DB00431	Lindane	P03AB02	-0.723	-19.365	-19.365	1922.0	Other	Approved
DB00432	Trifluridine	L01BC59,S01AD02	-27.362	-29.36	-29.36	1502.0	Other	Approved
DB00433	Prochlorperazine	N05AB04	-36.702	-35.421	-36.702	1043.0	Other	Approved
DB00434	Cyproheptadine	R06AX02	-31.727	-28.382	-31.727	1362.0	Other	Approved
DB00436	Bendroflumethiazide	C03AB01,C03EA13,G01AE10,C03AA01	-40.092	-35.389	-40.092	813.0	Other	Approved
DB00437	Allopurinol	M04AA01,M04AA51	-10.768	-19.297	-19.297	1929.0	Other	Approved
DB00438	Ceftazidime	J01DD02	-57.453	-55.389	-57.453	47.0	Antiinfectives	Approved
DB00439	Cerivastatin	C10AA06	-49.187	-51.929	-51.929	168.0	Other	Approved
DB00440	Trimethoprim	J04AM08,J01EA01,J01EE03,J01EE01,J01EE04,J01EE02,J01EE07,J01EE05	-32.996	-23.57	-32.996	1287.0	Antiinfectives	Approved
DB00441	Gemcitabine	L01BC05	-23.355	-28.501	-28.501	1550.0	Other	Approved
DB00442	Entecavir	J05AF10	-30.481	-27.047	-30.481	1440.0	Antivirals	Approved
DB00443	Betamethasone	R01AD06,D07BC01,S01BA06,S01BB04,S01CB04,H02AB01,C05AA05,S03CA06,D07XC01,D07AC01,A07EA04,S02BA07,R03BA04,S03BA03,S01CA05,D07CC01	-34.069	-27.175	-34.069	1227.0	Other	Approved
DB00444	Teniposide	L01CB02	-50.617	-49.19	-50.617	222.0	Other	Approved
DB00445	Epirubicin	L01DB03	-49.15	-51.428	-51.428	181.0	Other	Approved
DB00446	Chloramphenicol	S03AA08,S02AA01,D10AF03,S01AA01,G01AA05,J01BA01,D06AX02	-26.736	-30.357	-30.357	1446.0	Antiinfectives	Approved
DB00447	Loracarbef	J01DC08	-43.157	-46.43600000000001	-46.43600000000001	410.0	Antiinfectives	Approved
DB00448	Lansoprazole	A02BC03,A02BD02,A02BD07,A02BD09,A02BD10,A02BD03,A02BC53	-37.36	-34.787	-37.36	989.0	Other	Approved
DB00449	Dipivefrin	S01EA02	-39.476	-44.131	-44.131	564.0	Other	Approved
DB00450	Droperidol	N05AD08	-30.753	-35.972	-35.972	1105.0	Other	Approved
DB00452	Framycetin	D09AA01,R01AX08,S01AA07	-48.962	-50.398	-50.398	230.0	Other	Approved
DB00454	Meperidine	N02AB02,N02AB72,N02AB52,N02AG03	-30.36	-30.539	-30.539	1437.0	Other	Approved
DB00455	Loratadine	R06AX13	-46.232	-45.71	-46.232	420.0	Other	Approved
DB00456	Cefalotin	J01DB03	-55.354	-49.06	-55.354	80.0	Antiinfectives	Approved
DB00457	Prazosin	C02LE01,C02CA01	-26.734	-34.462	-34.462	1204.0	Other	Approved
DB00458	Imipramine	N06AA02	-36.525	-31.968000000000004	-36.525	1067.0	Other	Approved
DB00459	Acitretin	D05BB02	-40.543	-33.198	-40.543	783.0	Other	Approved
DB00460	Verteporfin	S01LA01	-66.905	-54.423	-66.905	3.0	Other	Approved
DB00461	Nabumetone	M01AX01	-34.186	-25.303	-34.186	1220.0	Other	Approved
DB00465	Ketorolac	M01AB15,S01FB51,S01BC05	-39.24	-41.733	-41.733	704.0	Other	Approved
DB00467	Enoxacin	J01MA04	-32.998000000000005	-30.13	-32.998000000000005	1286.0	Antiinfectives	Approved
DB00468	Quinine	M09AA72,P01BC01	-37.81	-38.001	-38.001	952.0	Other	Approved
DB00469	Tenoxicam	M01AC02	-33.76	-32.78	-33.76	1242.0	Other	Approved
DB00470	Dronabinol	A04AD10	-39.224	-37.236	-39.224	863.0	Other	Approved
DB00471	Montelukast	R03DC03,R03DC53	-54.715	-55.837	-55.837	71.0	Other	Approved
DB00472	Fluoxetine	N06CA03,N06AB03	-36.492	-37.557	-37.557	979.0	Other	Approved
DB00473	Hexylcaine	NA	-18.386	-35.453	-35.453	1129.0	NA	Approved
DB00474	Methohexital	N05CB01,N01AF01,N05CA15	-31.589	-24.939	-31.589	1370.0	Other	Approved
DB00475	Chlordiazepoxide	N05BA02	-35.98	-34.56	-35.98	1103.0	Other	Approved
DB00476	Duloxetine	N06AX21	-36.44	-36.044	-36.44	1076.0	Other	Approved
DB00477	Chlorpromazine	N05AA01	-37.934	-33.522	-37.934	957.0	Other	Approved
DB00478	Rimantadine	J05AC02	-17.631	-20.716	-20.716	1882.0	Antivirals	Approved
DB00479	Amikacin	S01AA21,D06AX12,J01GB06,J01RA06	-55.28100000000001	-53.65	-55.28100000000001	84.0	Antiinfectives	Approved
DB00480	Lenalidomide	L04AX04	-27.409	-31.049	-31.049	1408.0	Other	Approved
DB00481	Raloxifene	G03XC01	-43.596	-40.322	-43.596	589.0	Other	Approved
DB00482	Celecoxib	M01AH01,L01XX33,G01AE10	-38.277	-41.624	-41.624	714.0	Other	Approved
DB00484	Brimonidine	D11AX21,S01EA05	-23.762	-34.744	-34.744	1172.0	Other	Approved
DB00485	Dicloxacillin	J01CR50,J01CF01	-41.044	-42.148	-42.148	674.0	Antiinfectives	Approved
DB00486	Nabilone	A04AD11	-44.5	-43.278	-44.5	541.0	Other	Approved
DB00487	Pefloxacin	J01MA03	-36.672	-31.127	-36.672	1047.0	Antiinfectives	Approved
DB00488	Altretamine	L01XX03	-18.931	-23.441	-23.441	1777.0	Other	Approved
DB00489	Sotalol	C07AA07,C07BA07,C07FX02	-23.774	-29.281	-29.281	1507.0	Other	Approved
DB00490	Buspirone	N05BE01	-42.381	-32.524	-42.381	656.0	Other	Approved
DB00491	Miglitol	A10BF02	-14.048	-18.061	-18.061	1957.0	Other	Approved
DB00492	Fosinopril	C09BA09,C09AA09	-54.869	-49.365	-54.869	93.0	Other	Approved
DB00493	Cefotaxime	J01DD01	-48.892	-49.904	-49.904	247.0	Antiinfectives	Approved
DB00494	Entacapone	N04BX02	-34.339	-25.809	-34.339	1217.0	Other	Approved
DB00495	Zidovudine	J05AR04,J05AF01,J05AR05,J05AR01	-23.81	-28.544	-28.544	1549.0	Antivirals	Approved
DB00496	Darifenacin	G04BD10	-48.131	-43.78100000000001	-48.131	334.0	Other	Approved
DB00497	Oxycodone	N02AA56,N02AA05,N02AA55,N02AJ18,N02AJ17,N02AJ19	-26.782	-27.139	-27.139	1615.0	Other	Approved
DB00498	Phenindione	B01AA02	-24.353	-26.445	-26.445	1652.0	Other	Approved
DB00499	Flutamide	L02BB01	-29.594	-18.572	-29.594	1498.0	Other	Approved
DB00500	Tolmetin	M01AB03,M02AA21	-39.136	-41.077	-41.077	742.0	Other	Approved
DB00501	Cimetidine	A02BA51,A02BA01	-36.546	-24.64	-36.546	1063.0	Other	Approved
DB00502	Haloperidol	N05AD01	-39.616	-40.785	-40.785	763.0	Other	Approved
DB00503	Ritonavir	J05AP53,J05AR10,J05AE03,J05AR23,J05AP52	-55.4	-52.783	-55.4	78.0	Protease-Inhibitors	Approved
DB00504	Levallorphan	NA	-29.922	-27.306	-29.922	1471.0	NA	Approved
DB00507	Nitazoxanide	P01AX11	-29.632	-32.318000000000005	-32.318000000000005	1323.0	Other	Approved
DB00508	Triflupromazine	N05AA05	-41.065	-38.152	-41.065	745.0	Other	Approved
DB00513	Aminocaproic-acid	B02AA01	-21.964	-21.596	-21.964	1842.0	Other	Approved
DB00514	Dextromethorphan	R05DA09,N07XX59	-26.047	-25.847	-26.047	1671.0	Other	Approved
DB00518	Albendazole	P02CA03	-32.581	-26.461	-32.581	1303.0	Other	Approved
DB00519	Trandolapril	C09AA10,C09BB10	-48.002	-38.13800000000001	-48.002	338.0	Other	Approved
DB00521	Carteolol	S01ED55,S01ED05,C07AA15	-27.999	-34.68	-34.68	1185.0	Other	Approved
DB00523	Alitretinoin	D11AH04,L01XX22	-40.607	-43.36600000000001	-43.36600000000001	603.0	Other	Approved
DB00524	Metolazone	C03EA12,C03BA08,G01AE10	-37.644	-39.49	-39.49	855.0	Other	Approved
DB00525	Tolnaftate	D01AE18	-38.922	-37.172	-38.922	884.0	Other	Approved
DB00527	Cinchocaine	D04AB02,S02DA04,S01HA06,N01BB06,C05AD04	-45.523	-45.438	-45.523	475.0	Other	Approved
DB00528	Lercanidipine	C09DB08,C09BB02,C08CA13	-42.062	-55.485	-55.485	77.0	Other	Approved
DB00529	Foscarnet	J05AD01	-15.473	-22.521	-22.521	1817.0	Antivirals	Approved
DB00530	Erlotinib	L01XE03	-40.735	-41.174	-41.174	737.0	Other	Approved
DB00531	Cyclophosphamide	L01AA01	-21.77	-26.508000000000006	-26.508000000000006	1645.0	Other	Approved
DB00532	Mephenytoin	N03AB04,N03AB54	-23.21	-20.871	-23.21	1785.0	Other	Approved
DB00533	Rofecoxib	M01AH02	-34.387	-34.591	-34.591	1194.0	Other	Approved
DB00535	Cefdinir	J01DD15	-42.722	-43.83600000000001	-43.83600000000001	574.0	Antiinfectives	Approved
DB00537	Ciprofloxacin	J01RA11,S03AA07,J01MA02,S02AA15,J01RA10,J01RA12,S01AE03	-30.073	-31.226	-31.226	1389.0	Antiinfectives	Approved
DB00539	Toremifene	L02BA02	-46.79	-30.157	-46.79	392.0	Other	Approved
DB00540	Nortriptyline	N06AA10	-36.512	-36.974	-36.974	1024.0	Other	Approved
DB00542	Benazepril	C09BA07,C09AA07	-50.655	-38.678	-50.655	220.0	Other	Approved
DB00543	Amoxapine	N06AA17	-31.339	-32.955	-32.955	1290.0	Other	Approved
DB00544	Fluorouracil	L01BC52,L01BC02	-16.559	-20.245	-20.245	1902.0	Other	Approved
DB00545	Pyridostigmine	N07AA02	-9.773	-16.717	-16.717	1990.0	Other	Approved
DB00547	Desoximetasone	D07AC03,D07XC02	-30.59	-39.321	-39.321	860.0	Other	Approved
DB00548	Azelaic-acid	D10AX03	-31.735	-33.646	-33.646	1253.0	Other	Approved
DB00549	Zafirlukast	R03DC01	-51.78100000000001	-48.629	-51.78100000000001	173.0	Other	Approved
DB00550	Propylthiouracil	H03BA02	-15.906	-23.289	-23.289	1781.0	Other	Approved
DB00552	Pentostatin	L01XX08	-34.003	-35.903	-35.903	1109.0	Other	Approved
DB00553	Methoxsalen	D05BA02,D05AD02	-23.72	-22.919	-23.72	1763.0	Other	Approved
DB00554	Piroxicam	M01AC01,M02AA07,S01BC06	-33.763000000000005	-30.503	-33.763000000000005	1241.0	Other	Approved
DB00555	Lamotrigine	N03AX09	-24.121	-26.213	-26.213	1662.0	Other	Approved
DB00557	Hydroxyzine	N05BB01,N05BB51	-34.897	-42.201	-42.201	668.0	Other	Approved
DB00558	Zanamivir	J05AH01	-33.488	-33.867	-33.867	1237.0	Antivirals	Approved
DB00559	Bosentan	G01AE10,C02KX01	-44.074	-43.62600000000001	-44.074	565.0	Other	Approved
DB00560	Tigecycline	J01AA20,J01AA12	-59.182	-45.37600000000001	-59.182	25.0	Antiinfectives	Approved
DB00561	Doxapram	R07AB01	-40.521	-38.665	-40.521	785.0	Other	Approved
DB00562	Benzthiazide	G01AE10	-43.601000000000006	-40.481	-43.601000000000006	588.0	Other	Approved
DB00563	Methotrexate	L04AX03,L01BA01	-58.816	-38.745	-58.816	32.0	Other	Approved
DB00564	Carbamazepine	N03AF01	-25.949	-26.786	-26.786	1634.0	Other	Approved
DB00566	Succimer	NA	-26.883000000000006	-20.744	-26.883000000000006	1628.0	NA	Approved
DB00567	Cephalexin	J01DB01	-44.65	-45.585	-45.585	468.0	Antiinfectives	Approved
DB00568	Cinnarizine	N07CA52,N07CA02	-46.076	-40.941	-46.076	430.0	Other	Approved
DB00571	Propranolol	C07FX01,C07AA05,C07BA05	-37.056	-29.451	-37.056	1016.0	Other	Approved
DB00572	Atropine	S01FA01,A03CB03,A03BA01	-37.126	-38.4	-38.4	916.0	Other	Approved
DB00573	Fenoprofen	M01AE04	-39.063	-41.073	-41.073	743.0	Other	Approved
DB00574	Fenfluramine	A08AA02	-31.505	-30.633000000000006	-31.505	1376.0	Other	Approved
DB00575	Clonidine	S01EA04,C02LC01,C02AC01,N02CX02,C02LC51	-17.702	-23.471	-23.471	1775.0	Other	Approved
DB00576	Sulfamethizole	J01EB02,B05CA04,G01AE10,S01AB01,D06BA04	-28.069000000000006	-27.201	-28.069000000000006	1569.0	Antiinfectives	Approved
DB00577	Valaciclovir	J05AB11	-31.809	-39.65	-39.65	844.0	Antivirals	Approved
DB00578	Carbenicillin	J01CR50,J01CA03	-40.955	-43.062	-43.062	613.0	Antiinfectives	Approved
DB00579	Mazindol	A08AA05	-39.191	-29.872	-39.191	868.0	Other	Approved
DB00580	Valdecoxib	M01AH03	-35.29	-36.077	-36.077	1095.0	Other	Approved
DB00581	Lactulose	A06AD61,A06AD11	-25.701	-29.073	-29.073	1521.0	Other	Approved
DB00582	Voriconazole	J02AC03	-34.013000000000005	-33.695	-34.013000000000005	1231.0	Antiinfectives	Approved
DB00583	Levocarnitine	A16AA01	-23.277	-19.715	-23.277	1782.0	Other	Approved
DB00584	Enalapril	C09BA02,C09BB06,C09BB02,C09AA02	-46.398	-41.73	-46.398	413.0	Other	Approved
DB00585	Nizatidine	A02BA04	-28.608	-37.357	-37.357	990.0	Other	Approved
DB00586	Diclofenac	S01CC01,S01BC03,M01AB55,M02AA15,M01AB05,D11AX18	-35.747	-36.565	-36.565	1059.0	Other	Approved
DB00588	Fluticasone-propionate	NA	-41.775	-36.821	-41.775	702.0	NA	Approved
DB00589	Lisuride	G02CB02,N02CA07	-41.63800000000001	-37.16	-41.63800000000001	712.0	Other	Approved
DB00590	Doxazosin	C02CA04	-29.91	-26.864	-29.91	1473.0	Other	Approved
DB00591	Fluocinolone-acetonide	S01CA10,D07BC02,S02BA08,C05AA10,S01BA15,D07AC04,S02CA05,D07CC02	-32.844	-34.715	-34.715	1177.0	Other	Approved
DB00593	Ethosuximide	N03AD01,N03AD51	-12.799	-14.604	-14.604	2012.0	Other	Approved
DB00594	Amiloride	C03DB01	-16.275	-21.535	-21.535	1861.0	Other	Approved
DB00595	Oxytetracycline	J01AA06,S01AA04,J01AA56,D06AA03,G01AA07,J01AA20	-45.316	-37.214	-45.316	488.0	Antiinfectives	Approved
DB00596	Ulobetasol	D07AC21	-38.106	-28.61	-38.106	940.0	Other	Approved
DB00598	Labetalol	C07BG01,C07CG01,C07AG01	-43.57	-39.906	-43.57	592.0	Other	Approved
DB00599	Thiopental	N01AF03,N05CB01,N05CA19	-23.862	-14.167	-23.862	1759.0	Other	Approved
DB00600	Monobenzone	D11AX13	-13.103	-31.068	-31.068	1407.0	Other	Approved
DB00601	Linezolid	J01XX08	-23.916	-29.115	-29.115	1516.0	Antiinfectives	Approved
DB00603	Medroxyprogesterone-acetate	G03DA02,L02AB02,G03AC06	-36.674	-32.383	-36.674	1046.0	Other	Approved
DB00604	Cisapride	A03FA02	-43.49	-34.971	-43.49	597.0	Other	Approved
DB00605	Sulindac	M01AB02	-46.309	-27.111	-46.309	416.0	Other	Approved
DB00606	Cyclothiazide	G01AE10,C03AB09,C03AA09	-36.004	-41.235	-41.235	732.0	Other	Approved
DB00607	Nafcillin	J01CR50,J01CF06	-51.058	-44.823	-51.058	199.0	Antiinfectives	Approved
DB00608	Chloroquine	P01BA01	-42.051	-29.971	-42.051	682.0	Other	Approved
DB00609	Ethionamide	J04AD03	-17.747	-23.411	-23.411	1779.0	Antiinfectives	Approved
DB00610	Metaraminol	C01CA09	-13.504	-23.234	-23.234	1783.0	Other	Approved
DB00611	Butorphanol	N02AF01	-27.962	-32.544000000000004	-32.544000000000004	1307.0	Other	Approved
DB00612	Bisoprolol	C07FX04,C07BB07,C07AB07,C09BX02,C07FB07	-31.61	-44.709	-44.709	531.0	Other	Approved
DB00613	Amodiaquine	P01BF03,P01BA06	-35.845	-32.669000000000004	-35.845	1113.0	Other	Approved
DB00617	Paramethadione	N03AC01	-13.672	-13.437	-13.672	2015.0	Other	Approved
DB00618	Demeclocycline	J01AA01,D06AA01,J01AA20	-44.912	-43.526	-44.912	518.0	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	-33.39	-34.174	1221.0	Other	Approved
DB00621	Oxandrolone	A14AA08	-29.606	-27.619	-29.606	1497.0	Other	Approved
DB00622	Nicardipine	C08CA04	-47.632	-43.398	-47.632	359.0	Other	Approved
DB00623	Fluphenazine	N05AB02	-38.83	-51.067	-51.067	198.0	Other	Approved
DB00624	Testosterone	G03BA03,G03EA02	-32.695	-29.512	-32.695	1297.0	Other	Approved
DB00625	Efavirenz	J05AR06,J05AG03,J05AR11	-31.51	-31.052	-31.51	1375.0	Antivirals	Approved
DB00627	Niacin	C10AD02,C10AD52,C10BA01,C04AC01	-18.513	-18.131	-18.513	1947.0	Other	Approved
DB00628	Clorazepic-acid	NA	-38.761	-37.621	-38.761	894.0	NA	Approved
DB00629	Guanabenz	NA	-20.824	-26.058000000000003	-26.058000000000003	1667.0	NA	Approved
DB00630	Alendronic-acid	M05BB03,M05BA04,M05BB06,M05BB05	-20.456	-39.02	-39.02	879.0	Other	Approved
DB00631	Clofarabine	L01BB06	-21.712	-27.746	-27.746	1580.0	Other	Approved
DB00632	Docosanol	D06BB11	-42.58600000000001	-40.478	-42.58600000000001	644.0	Other	Approved
DB00633	Dexmedetomidine	N05CM18	-27.173	-25.123	-27.173	1613.0	Other	Approved
DB00634	Sulfacetamide	D10AF06,S01AB04,G01AE10	-17.146	-19.154	-19.154	1931.0	Other	Approved
DB00635	Prednisone	A07EA03,H02AB07	-35.1	-31.018	-35.1	1151.0	Other	Approved
DB00636	Clofibrate	C10AB01	-22.76	-18.401	-22.76	1809.0	Other	Approved
DB00637	Astemizole	R06AX11	-54.898	-48.304	-54.898	92.0	Other	Approved
DB00639	Butoconazole	G01AF20,G01AF15	-41.672	-38.281	-41.672	709.0	Other	Approved
DB00640	Adenosine	C01EB10	-29.206	-28.306	-29.206	1513.0	Other	Approved
DB00641	Simvastatin	A10BH51,C10AA01,C10BA02,C10BX04,C10BX01,C10BA04	-46.131	-44.597	-46.131	426.0	Other	Approved
DB00642	Pemetrexed	L01BA04	-52.851000000000006	-41.396	-52.851000000000006	133.0	Other	Approved
DB00643	Mebendazole	P02CA51,P02CA01	-34.659	-35.283	-35.283	1142.0	Other	Approved
DB00645	Dyclonine	N01BX02,R02AD04	-32.467	-37.567	-37.567	978.0	Other	Approved
DB00647	Dextropropoxyphene	N02AC04,N02AC54,N02AC74	-35.637	-35.383	-35.637	1122.0	Other	Approved
DB00648	Mitotane	L01XX23	-29.212	-31.121	-31.121	1396.0	Other	Approved
DB00649	Stavudine	J05AF04,J05AR07	-23.071	-28.231	-28.231	1558.0	Antivirals	Approved
DB00650	Leucovorin	V03AF06,V03AF03	-48.203	-31.908	-48.203	332.0	Other	Approved
DB00651	Dyphylline	R03DA20,R03DB01,R03DA51,R03DA01	-20.553	-24.401	-24.401	1736.0	Other	Approved
DB00652	Pentazocine	N02AD01	-33.324	-31.363000000000003	-33.324	1273.0	Other	Approved
DB00654	Latanoprost	S01EE01	-42.323	-40.378	-42.323	661.0	Other	Approved
DB00655	Estrone	G03CC04,G03CA07	-29.966	-28.715	-29.966	1469.0	Other	Approved
DB00656	Trazodone	N06AX05	-30.385	-26.042	-30.385	1444.0	Other	Approved
DB00657	Mecamylamine	C02BB01	-19.346	-13.744000000000002	-19.346	1926.0	Other	Approved
DB00659	Acamprosate	N07BB03	-24.173	-19.976	-24.173	1748.0	Other	Approved
DB00660	Metaxalone	NA	-31.859	-24.833	-31.859	1349.0	NA	Approved
DB00661	Verapamil	C09BB10,C08DA51,C08DA01	-45.023	-44.488	-45.023	510.0	Other	Approved
DB00662	Trimethobenzamide	R06AA10	-31.148000000000003	-39.639	-39.639	845.0	Other	Approved
DB00663	Flumethasone	D07AB03,D07BB01,S02CA02,D07CB05,D07XB01	-34.66	-34.143	-34.66	1189.0	Other	Approved
DB00664	Sulfametopyrazine	G01AE10,J01ED02	-31.779	-29.482	-31.779	1356.0	Antiinfectives	Approved
DB00665	Nilutamide	L02BB02	-30.942	-17.743	-30.942	1415.0	Other	Approved
DB00668	Epinephrine	A01AD01,R03AK01,B02BC09,C01CA24,S01EA01,R01AA14,R03AA01,S01EA51	-19.415	-21.488000000000003	-21.488000000000003	1864.0	Other	Approved
DB00669	Sumatriptan	N02CC01,G01AE10	-34.433	-34.74	-34.74	1174.0	Other	Approved
DB00670	Pirenzepine	A02BX03	-39.194	-30.662	-39.194	867.0	Other	Approved
DB00671	Cefixime	J01DD08	-48.99800000000001	-47.15600000000001	-48.99800000000001	293.0	Antiinfectives	Approved
DB00672	Chlorpropamide	A10BB02	-25.28	-28.17	-28.17	1563.0	Other	Approved
DB00673	Aprepitant	A04AD12	-51.69600000000001	-48.085	-51.69600000000001	177.0	Other	Approved
DB00674	Galantamine	N06DA04	-32.626	-24.13	-32.626	1300.0	Other	Approved
DB00675	Tamoxifen	L02BA01	-44.231	-30.462	-44.231	558.0	Other	Approved
DB00676	Benzyl-benzoate	P03AX01	-27.743	-30.014	-30.014	1465.0	Other	Approved
DB00678	Losartan	C09CA01,C09DA01,C09DB06	-50.699	-46.553	-50.699	218.0	Other	Approved
DB00679	Thioridazine	N05AC02	-39.619	-39.753	-39.753	837.0	Other	Approved
DB00680	Moricizine	C01BG01	-30.126	-34.683	-34.683	1184.0	Other	Approved
DB00682	Warfarin	B01AA03	-39.181	-35.185	-39.181	869.0	Other	Approved
DB00683	Midazolam	N05CD08	-31.354	-30.018	-31.354	1382.0	Other	Approved
DB00684	Tobramycin	S01AA12,J01GB01	-39.502	-45.908	-45.908	443.0	Antiinfectives	Approved
DB00685	Trovafloxacin	J01MA13	-48.371	-40.58	-48.371	327.0	Antiinfectives	Approved
DB00686	Pentosan-polysulfate	C05BA04,G04BX15	-28.623	-40.025	-40.025	816.0	Other	Approved
DB00687	Fludrocortisone	S02CA07,S01CA06,H02AA02,S03CA05	-38.854	-29.291	-38.854	890.0	Other	Approved
DB00688	Mycophenolate-mofetil	L04AA06	-50.012	-47.002	-50.012	243.0	Other	Approved
DB00689	Cephaloglycin	NA	-48.00899999999999	-50.712	-50.712	217.0	NA	Approved
DB00690	Flurazepam	N05CD01	-39.756	-35.86	-39.756	836.0	Other	Approved
DB00691	Moexipril	C09AA13,C09BA13	-44.663	-49.71100000000001	-49.71100000000001	256.0	Other	Approved
DB00692	Phentolamine	V03AB36,C04AB01	-41.167	-25.986	-41.167	738.0	Other	Approved
DB00693	Fluorescein	S01JA01,S01JA51	-33.866	-28.255	-33.866	1238.0	Other	Approved
DB00694	Daunorubicin	L01DB02,L01XY01	-47.92100000000001	-48.402	-48.402	325.0	Other	Approved
DB00695	Furosemide	C03EB01,C03CA01,C03CB01,G01AE10	-38.694	-35.067	-38.694	898.0	Other	Approved
DB00696	Ergotamine	N02CA02,N02CA52,N02CA72	-56.352	-53.293	-56.352	67.0	Other	Approved
DB00697	Tizanidine	M03BX02	-21.504	-34.861	-34.861	1166.0	Other	Approved
DB00698	Nitrofurantoin	J01XE01,J01XE51	-29.731	-24.26	-29.731	1484.0	Antiinfectives	Approved
DB00699	Nicergoline	C04AE02	-45.56	-49.113	-49.113	287.0	Other	Approved
DB00700	Eplerenone	C03DA04	-38.076	-32.828	-38.076	945.0	Other	Approved
DB00701	Amprenavir	J05AE05	-51.776	-40.324	-51.776	174.0	Protease-Inhibitors	Approved
DB00703	Methazolamide	S01EC05	-20.376	-17.434	-20.376	1893.0	Other	Approved
DB00704	Naltrexone	N02AA56,N07BB04,A08AA62	-31.763	-29.487	-31.763	1357.0	Other	Approved
DB00705	Delavirdine	J05AG02	-31.086	-49.167	-49.167	282.0	Antivirals	Approved
DB00706	Tamsulosin	G04CA52,G04CA02,G01AE10,G04CA53	-43.854	-45.598	-45.598	466.0	Other	Approved
DB00708	Sufentanil	N01AH03	-44.25899999999999	-35.145	-44.25899999999999	554.0	Other	Approved
DB00709	Lamivudine	J05AR02,J05AR11,J05AR07,J05AR01,J05AR13,J05AR12,J05AR24,J05AR04,J05AR16,J05AR05,J05AF05	-17.148	-29.197	-29.197	1514.0	Antivirals	Approved
DB00710	Ibandronate	M05BA06,M05BB09	-46.688	-48.815	-48.815	299.0	Other	Approved
DB00711	Diethylcarbamazine	P02CB02	-18.988	-19.568	-19.568	1917.0	Other	Approved
DB00712	Flurbiprofen	M02AA19,M01AE09,R02AX01,S01BC04	-40.435	-35.92800000000001	-40.435	794.0	Other	Approved
DB00713	Oxacillin	J01CR50,J01CF04	-45.371	-44.537	-45.371	487.0	Antiinfectives	Approved
DB00714	Apomorphine	G04BE07,N04BC07	-28.654	-27.892	-28.654	1541.0	Other	Approved
DB00715	Paroxetine	N06AB05	-36.557	-34.808	-36.557	1062.0	Other	Approved
DB00716	Nedocromil	R03BC03,R01AC07,S01GX04	-33.677	-31.863000000000003	-33.677	1248.0	Other	Approved
DB00717	Norethisterone	G03DC02,G03AA05,G03AB04,G03AC01,G03FA01,G03FB05	-39.107	-33.568000000000005	-39.107	873.0	Other	Approved
DB00718	Adefovir-dipivoxil	J05AF08	-41.291	-42.739	-42.739	635.0	Antivirals	Approved
DB00719	Azatadine	R06AX09	-34.439	-33.366	-34.439	1207.0	Other	Approved
DB00720	Clodronic-acid	M05BA02	-9.208	-36.56800000000001	-36.56800000000001	1058.0	Other	Approved
DB00721	Procaine	N01BA52,C05AD05,S01HA05,N01BA02	-23.779	-31.259	-31.259	1385.0	Other	Approved
DB00722	Lisinopril	C09BA03,C10BX07,C09AA03,C09BB03	-45.228	-50.931	-50.931	208.0	Other	Approved
DB00723	Methoxamine	C01CA10	-18.308	-24.373	-24.373	1737.0	Other	Approved
DB00724	Imiquimod	D06BB10	-28.858	-25.506	-28.858	1531.0	Other	Approved
DB00726	Trimipramine	N06AA06	-35.765	-30.678	-35.765	1116.0	Other	Approved
DB00727	Nitroglycerin	C01DA02,C01DA52,C05AE01	-11.738	-16.913	-16.913	1982.0	Other	Approved
DB00728	Rocuronium	M03AC09	-47.402	-26.866	-47.402	365.0	Other	Approved
DB00730	Thiabendazole	D01AC06,P02CA02	-27.414	-29.027	-29.027	1523.0	Other	Approved
DB00731	Nateglinide	A10BX03	-45.218	-45.86	-45.86	445.0	Other	Approved
DB00733	Pralidoxime	V03AB04	-15.192	-19.761	-19.761	1912.0	Other	Approved
DB00734	Risperidone	N05AX08	-36.876	-43.453	-43.453	599.0	Other	Approved
DB00735	Naftifine	D01AE22	-39.136	-33.149	-39.136	871.0	Other	Approved
DB00736	Esomeprazole	A02BD06,A02BC05,M01AE52	-36.686	-36.222	-36.686	1044.0	Other	Approved
DB00737	Meclizine	R06AE55,R06AE05	-40.891	-42.803	-42.803	629.0	Other	Approved
DB00738	Pentamidine	P01CX01	-37.878	-31.137	-37.878	961.0	Other	Approved
DB00739	Hetacillin	J01CA18,J01CR50	-33.344	-32.957	-33.344	1271.0	Antiinfectives	Approved
DB00740	Riluzole	N07XX02	-18.152	-23.093000000000004	-23.093000000000004	1788.0	Other	Approved
DB00741	Hydrocortisone	S01CB03,A01AC03,S01BA02,S01CA03,D07AA02,S01BB01,D07XA01,D07BA04,S02CA03,A07EA02,S02BA01,R01AD60,H02AB09,D07CA01,S03CA04,C05AA01	-30.52	-31.223000000000006	-31.223000000000006	1392.0	Other	Approved
DB00742	Mannitol	B05CX04,A06AD16,R05CB16,B05BC01	-15.553	-16.722	-16.722	1989.0	Other	Approved
DB00744	Zileuton	NA	-27.19	-23.194000000000006	-27.19	1612.0	NA	Approved
DB00745	Modafinil	N06BA07	-33.703	-32.302	-33.703	1247.0	Other	Approved
DB00746	Deferoxamine	V03AC01	-54.543	-44.985	-54.543	98.0	Other	Approved
DB00747	Scopolamine	N05CM05,S01FA02,A04AD01,A04AD51	-33.946	-38.752	-38.752	896.0	Other	Approved
DB00748	Carbinoxamine	R06AA08	-29.93	-37.075	-37.075	1013.0	Other	Approved
DB00749	Etodolac	M01AB08	-38.734	-42.076	-42.076	681.0	Other	Approved
DB00750	Prilocaine	N01BB54,N01BB04	-33.254	-31.086	-33.254	1277.0	Other	Approved
DB00751	Epinastine	S01GX10,R06AX24	-30.106	-28.462	-30.106	1463.0	Other	Approved
DB00752	Tranylcypromine	N06AF04	-17.558	-19.944000000000006	-19.944000000000006	1911.0	Other	Approved
DB00753	Isoflurane	N01AB06	-12.822	-16.554000000000002	-16.554000000000002	1993.0	Other	Approved
DB00754	Ethotoin	N03AB01	-25.455	-22.589	-25.455	1697.0	Other	Approved
DB00755	Tretinoin	D10AD51,L01XX14,D10AD01	-40.091	-41.845	-41.845	695.0	Other	Approved
DB00756	Hexachlorophene	D08AE01	-34.105	-32.635	-34.105	1225.0	Other	Approved
DB00757	Dolasetron	A04AA04	-36.744	-37.842	-37.842	965.0	Other	Approved
DB00758	Clopidogrel	B01AC04	-33.492	-33.559	-33.559	1260.0	Other	Approved
DB00759	Tetracycline	S02AA08,A02BD02,A01AB13,J01AA07,S01AA09,J01AA20,J01RA08,S03AA02,D06AA04,A02BD08	-42.322	-34.793	-42.322	662.0	Antiinfectives	Approved
DB00760	Meropenem	J01DH02,J01DH52	-43.51600000000001	-39.08	-43.51600000000001	596.0	Antiinfectives	Approved
DB00762	Irinotecan	L01XX19	-56.816	-53.04600000000001	-56.816	57.0	Other	Approved
DB00763	Methimazole	H03BB52,H03BB02	-14.88	-17.506	-17.506	1968.0	Other	Approved
DB00764	Mometasone	D07AC13,R03BA07,D07XC03,R01AD09,R03AK09	-36.252	-28.997	-36.252	1086.0	Other	Approved
DB00765	Metyrosine	C02KB01	-30.508000000000006	-23.649	-30.508000000000006	1438.0	Other	Approved
DB00766	Clavulanic-acid	NA	-22.905	-25.381	-25.381	1700.0	NA	Approved
DB00768	Olopatadine	S01GX09,R01AC08	-45.699	-45.132	-45.699	456.0	Other	Approved
DB00769	Hydrocortamate	NA	-44.904	-40.855	-44.904	519.0	NA	Approved
DB00770	Alprostadil	C01EA01,G04BE01	-45.268	-47.07899999999999	-47.07899999999999	382.0	Other	Approved
DB00771	Clidinium	A03CA02	-37.141	-41.597	-41.597	716.0	Other	Approved
DB00772	Malathion	P03AX03	-26.836	-29.717	-29.717	1486.0	Other	Approved
DB00773	Etoposide	L01CB01	-47.904	-43.103	-47.904	344.0	Other	Approved
DB00774	Hydroflumethiazide	C03AA02,G01AE10,C03AH02,C03AB02	-28.899	-26.914	-28.899	1529.0	Other	Approved
DB00775	Tirofiban	B01AC17	-51.86	-47.386	-51.86	170.0	Other	Approved
DB00776	Oxcarbazepine	N03AF02	-23.404	-29.078000000000007	-29.078000000000007	1520.0	Other	Approved
DB00777	Propiomazine	N05CM06	-42.93	-27.093000000000004	-42.93	624.0	Other	Approved
DB00779	Nalidixic-acid	J01MB02	-23.217	-31.844	-31.844	1350.0	Antiinfectives	Approved
DB00780	Phenelzine	N06AF03	-19.455	-22.277	-22.277	1826.0	Other	Approved
DB00782	Propantheline	A03AB05,A03CA34	-44.88800000000001	-39.778	-44.88800000000001	521.0	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	-28.983	-26.846	-28.983	1525.0	Other	Approved
DB00784	Mefenamic-acid	M01AG01	-35.152	-35.98900000000001	-35.98900000000001	1101.0	Other	Approved
DB00787	Acyclovir	J05AB01,D06BB03,S01AD03,D06BB53	-25.064	-30.283	-30.283	1450.0	Antivirals	Approved
DB00788	Naproxen	G02CC02,M02AA12,M01AE56,M01AE52,M01AE02	-35.7	-28.908	-35.7	1119.0	Other	Approved
DB00790	Perindopril	C09BX01,C09BA04,C10BX11,C10BX13,C09AA04,C09BX02,C10BX12,C09BB04,C10BX15,C10BX14	-47.817	-41.735	-47.817	349.0	Other	Approved
DB00791	Uracil-mustard	L01AD08	-20.317	-19.573	-20.317	1898.0	Other	Approved
DB00792	Tripelennamine	R06AC04,D04AA04	-27.313	-32.236999999999995	-32.236999999999995	1331.0	Other	Approved
DB00793	Haloprogin	D01AE11	-25.417	-20.661	-25.417	1699.0	Other	Approved
DB00794	Primidone	N05CB01,N03AA03	-24.713	-15.741	-24.713	1721.0	Other	Approved
DB00795	Sulfasalazine	A07EC01,G01AE10	-34.87	-37.875	-37.875	962.0	Other	Approved
DB00796	Candesartan-cilexetil	NA	-51.957	-55.575	-55.575	75.0	NA	Approved
DB00797	Tolazoline	M02AX02,C04AB02	-22.676	-24.272	-24.272	1740.0	Other	Approved
DB00798	Gentamicin	S01AA11,S02AA14,D06AX07,S03AA06,J01GB03	-38.178	-45.691	-45.691	457.0	Antiinfectives	Approved
DB00799	Tazarotene	D05AX05	-40.389	-39.102	-40.389	799.0	Other	Approved
DB00800	Fenoldopam	C01CA19	-33.09	-32.177	-33.09	1285.0	Other	Approved
DB00801	Halazepam	N05BA13	-36.333	-23.848000000000006	-36.333	1081.0	Other	Approved
DB00802	Alfentanil	N01AH02	-31.841	-38.233	-38.233	929.0	Other	Approved
DB00804	Dicyclomine	A03AA07	-33.438	-34.333	-34.333	1218.0	Other	Approved
DB00805	Minaprine	N06AX07	-38.672	-25.902	-38.672	901.0	Other	Approved
DB00806	Pentoxifylline	C04AD03,R03DA20	-29.507	-31.74	-31.74	1361.0	Other	Approved
DB00807	Proparacaine	S01HA04	-26.773000000000003	-36.598	-36.598	1056.0	Other	Approved
DB00808	Indapamide	C03BA11,C09BX01,G01AE10,C10BX13	-37.789	-38.051	-38.051	946.0	Other	Approved
DB00809	Tropicamide	S01FA06,S01FA56	-36.21	-34.72	-36.21	1090.0	Other	Approved
DB00810	Biperiden	N04AA02	-35.499	-37.302	-37.302	995.0	Other	Approved
DB00811	Ribavirin	J05AP01	-27.371	-24.882	-27.371	1602.0	Antivirals	Approved
DB00812	Phenylbutazone	M01BA01,M01AA01,M02AA01	-36.958	-38.182	-38.182	932.0	Other	Approved
DB00813	Fentanyl	N01AH01,N02AB03,N01AH51	-42.742	-39.385	-42.742	634.0	Other	Approved
DB00814	Meloxicam	M01AC56,M01AC06	-33.325	-32.125	-33.325	1272.0	Other	Approved
DB00816	Orciprenaline	R03AB03,R03CB03,R03CB53	-16.924	-24.753	-24.753	1719.0	Other	Approved
DB00817	Rosoxacin	J01MB01	-38.085	-35.396	-38.085	944.0	Antiinfectives	Approved
DB00818	Propofol	N01AX10	-20.034	-24.256	-24.256	1743.0	Other	Approved
DB00819	Acetazolamide	G01AE10,S01EC01	-17.075	-17.739	-17.739	1965.0	Other	Approved
DB00820	Tadalafil	G04BE08,C02KX52	-39.042	-37.142	-39.042	877.0	Other	Approved
DB00821	Carprofen	NA	-32.187	-32.168	-32.187	1334.0	NA	Approved
DB00822	Disulfiram	P03AA04,P03AA54,N07BB01	-25.649	-24.477	-25.649	1686.0	Other	Approved
DB00823	Ethynodiol-diacetate	NA	-41.646	-31.841	-41.646	711.0	NA	Approved
DB00824	Enprofylline	NA	-8.994	-26.165	-26.165	1663.0	NA	Approved
DB00825	Menthol	NA	-15.154000000000002	-18.821	-18.821	1940.0	NA	Approved
DB00826	Natamycin	G01AA02,D01AA02,A01AB10,S01AA10,A07AA03	-54.709	-58.119	-58.119	39.0	Other	Approved
DB00827	Cinoxacin	J01MB06	-23.614	-29.364	-29.364	1501.0	Antiinfectives	Approved
DB00828	Fosfomycin	J01XX01	-14.961	-26.45	-26.45	1650.0	Antiinfectives	Approved
DB00829	Diazepam	N05BA01	-32.276	-32.523	-32.523	1309.0	Other	Approved
DB00830	Phenmetrazine	NA	-19.043	-23.438	-23.438	1778.0	NA	Approved
DB00831	Trifluoperazine	N05AB06	-40.508	-41.361	-41.361	726.0	Other	Approved
DB00832	Phensuximide	N03AD02	-25.905	-22.502	-25.905	1679.0	Other	Approved
DB00833	Cefaclor	J01DC04	-46.993	-44.115	-46.993	385.0	Antiinfectives	Approved
DB00835	Brompheniramine	R06AB51,R06AB01	-32.173	-34.036	-34.036	1228.0	Other	Approved
DB00836	Loperamide	A07DA53,A07DA03	-43.619	-40.606	-43.619	586.0	Other	Approved
DB00838	Clocortolone	D07AB21	-36.242	-30.288	-36.242	1088.0	Other	Approved
DB00839	Tolazamide	A10BB05	-28.292	-32.692	-32.692	1298.0	Other	Approved
DB00841	Dobutamine	C01CA07	-34.99	-36.054	-36.054	1098.0	Other	Approved
DB00842	Oxazepam	N05BA04	-31.707	-29.905	-31.707	1365.0	Other	Approved
DB00843	Donepezil	N06DA52,N06DA53,N06DA02	-41.313	-45.74	-45.74	453.0	Other	Approved
DB00844	Nalbuphine	N02AF02	-32.786	-33.971	-33.971	1236.0	Other	Approved
DB00845	Clofazimine	J04BA01	-45.81800000000001	-37.646	-45.81800000000001	446.0	Antiinfectives	Approved
DB00846	Flurandrenolide	D07CC03,D07AC07	-38.162	-39.976	-39.976	819.0	Other	Approved
DB00848	Levamisole	P02CE01	-32.823	-25.711	-32.823	1293.0	Other	Approved
DB00849	Methylphenobarbital	N03AA01,N05CB01	-25.438	-25.971	-25.971	1675.0	Other	Approved
DB00850	Perphenazine	N05AB03	-40.41	-38.087	-40.41	797.0	Other	Approved
DB00851	Dacarbazine	L01AX04	-23.674	-24.26	-24.26	1742.0	Other	Approved
DB00852	Pseudoephedrine	R01BA52,R01BA02	-21.66	-21.776	-21.776	1850.0	Other	Approved
DB00853	Temozolomide	L01AX03	-17.794	-17.715999999999994	-17.794	1962.0	Other	Approved
DB00854	Levorphanol	NA	-21.601	-25.044	-25.044	1709.0	NA	Approved
DB00855	Aminolevulinic-acid	L01XD04	-17.311	-24.648000000000003	-24.648000000000003	1725.0	Other	Approved
DB00856	Chlorphenesin	D01AE07	-16.447	-15.629	-16.447	1994.0	Other	Approved
DB00857	Terbinafine	D01AE15,D01BA02	-37.025	-34.823	-37.025	1019.0	Other	Approved
DB00859	Penicillamine	M01CC01	-17.374000000000002	-16.625	-17.374000000000002	1972.0	Other	Approved
DB00860	Prednisolone	S01CA02,D07AA03,D07XA02,A01AC54,R01AD02,S01BB02,R01AD52,S01CB02,V03AB05,S03BA02,D07BA01,D07CA03,S01BA04,S02BA03,A07EA01,H02AB06,S02CA01,C05AA04,S03CA02	-33.16	-29.926	-33.16	1282.0	Other	Approved
DB00861	Diflunisal	N02BA11	-33.247	-31.116	-33.247	1278.0	Other	Approved
DB00862	Vardenafil	G04BE09	-51.242	-34.62	-51.242	187.0	Other	Approved
DB00863	Ranitidine	A02BA07,A02BA02	-33.596	-39.497	-39.497	854.0	Other	Approved
DB00865	Benzphetamine	NA	-33.974000000000004	-31.218000000000004	-33.974000000000004	1235.0	NA	Approved
DB00867	Ritodrine	G02CA01	-33.508	-34.769	-34.769	1171.0	Other	Approved
DB00868	Benzonatate	R05DB01	-50.01	-52.652	-52.652	141.0	Other	Approved
DB00869	Dorzolamide	S01EC03	-26.864	-30.034	-30.034	1464.0	Other	Approved
DB00870	Suprofen	M01AE07	-40.173	-40.511	-40.511	787.0	Other	Approved
DB00871	Terbutaline	R03CC53,R03CC03,R03AC03	-22.74	-25.629	-25.629	1687.0	Other	Approved
DB00872	Conivaptan	C03XA02	-54.727	-54.087	-54.727	97.0	Other	Approved
DB00873	Loteprednol	S01BA14	-37.122	-32.744	-37.122	1007.0	Other	Approved
DB00874	Guaifenesin	R05CA03	-18.343	-18.824	-18.824	1939.0	Other	Approved
DB00875	Flupentixol	N05AF01	-45.654	-44.346	-45.654	460.0	Other	Approved
DB00876	Eprosartan	C09DA02,C09CA02	-54.984	-57.397	-57.397	48.0	Other	Approved
DB00878	Chlorhexidine	R02AA05,S03AA04,D08AC52,D08AC02,S01AX09,D09AA12,B05CA02,A01AB03,S02AA09	-45.986	-48.43	-48.43	320.0	Other	Approved
DB00879	Emtricitabine	J05AR19,J05AR08,J05AR17,J05AF09,J05AR09,J05AR20,J05AR06,J05AR03,J05AR22,J05AR18	-21.007	-29.697	-29.697	1489.0	Antivirals	Approved
DB00880	Chlorothiazide	C03AB04,G01AE10,C03AA04,C03AH01	-21.596	-25.427	-25.427	1698.0	Other	Approved
DB00881	Quinapril	C09AA06,C09BA06	-52.291	-49.26	-52.291	155.0	Other	Approved
DB00882	Clomifene	G03GB02	-47.868	-32.228	-47.868	345.0	Other	Approved
DB00883	Isosorbide-dinitrate	C01DA08,C01DA58,C05AE02	-16.480999999999998	-18.744	-18.744	1942.0	Other	Approved
DB00884	Risedronic-acid	M05BB07,M05BB02,M05BB04,M05BA07	-22.074	-36.877	-36.877	1027.0	Other	Approved
DB00885	Pemirolast	NA	-21.669	-25.572	-25.572	1690.0	NA	Approved
DB00887	Bumetanide	G01AE10,C03CB02,C03EB02,C03CA02	-47.802	-41.823	-47.802	351.0	Other	Approved
DB00888	Mechlorethamine	L01AA05	-15.31	-12.317	-15.31	2007.0	Other	Approved
DB00889	Granisetron	A04AA02	-27.57	-24.629	-27.57	1590.0	Other	Approved
DB00890	Dienestrol	G03CB01,G03CC02	-30.968000000000004	-30.79	-30.968000000000004	1413.0	Other	Approved
DB00891	Sulfapyridine	G01AE10,J01EB04	-19.476	-28.628	-28.628	1543.0	Antiinfectives	Approved
DB00892	Oxybuprocaine	S01HA02,D04AB03	-23.777	-42.219	-42.219	666.0	Other	Approved
DB00894	Testolactone	NA	-22.606	-25.913	-25.913	1678.0	NA	Approved
DB00896	Rimexolone	H02AB12,S01BA13	-35.482	-27.955	-35.482	1128.0	Other	Approved
DB00897	Triazolam	N05CD05	-38.192	-37.113	-38.192	931.0	Other	Approved
DB00899	Remifentanil	N01AH06	-35.534	-35.654	-35.654	1121.0	Other	Approved
DB00900	Didanosine	J05AF02	-26.852	-30.299	-30.299	1448.0	Antivirals	Approved
DB00902	Methdilazine	R06AD04	-34.741	-27.47	-34.741	1173.0	Other	Approved
DB00903	Etacrynic-acid	C03CC01	-38.647	-25.684	-38.647	904.0	Other	Approved
DB00904	Ondansetron	A04AA01	-36.59	-36.646	-36.646	1051.0	Other	Approved
DB00905	Bimatoprost	S01EE03	-46.603	-45.883	-46.603	402.0	Other	Approved
DB00906	Tiagabine	N03AG06	-47.083	-42.226000000000006	-47.083	381.0	Other	Approved
DB00907	Cocaine	S01HA01,S02DA02,N01BC01,R02AD03	-29.925	-37.447	-37.447	983.0	Other	Approved
DB00908	Quinidine	C01BA01,C01BA51,C01BA71	-37.753	-40.453	-40.453	793.0	Other	Approved
DB00909	Zonisamide	N03AX15,G01AE10	-21.528	-27.464	-27.464	1595.0	Other	Approved
DB00910	Paricalcitol	H05BX02	-43.82	-42.401	-43.82	575.0	Other	Approved
DB00911	Tinidazole	J01RA11,J01RA13,A02BD09,J01XD02,G01AF20,P01AB02	-19.959	-24.557	-24.557	1730.0	Antiinfectives	Approved
DB00912	Repaglinide	A10BD14,A10BX02	-52.499	-47.51600000000001	-52.499	145.0	Other	Approved
DB00913	Anileridine	N01AH05	-37.49	-42.58600000000001	-42.58600000000001	645.0	Other	Approved
DB00914	Phenformin	A10BA01,A10BD01	-23.141	-27.295	-27.295	1605.0	Other	Approved
DB00915	Amantadine	N04BB01	-17.311	-19.273	-19.273	1930.0	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	1906.0	Antiinfectives	Approved
DB00917	Dinoprostone	G02AD02	-45.567	-42.122	-45.567	470.0	Other	Approved
DB00918	Almotriptan	N02CC05	-39.534	-37.51	-39.534	852.0	Other	Approved
DB00919	Spectinomycin	J01XX04	-20.018	-28.873	-28.873	1530.0	Antiinfectives	Approved
DB00920	Ketotifen	S01GX08,R06AX17	-32.548	-32.415	-32.548	1306.0	Other	Approved
DB00921	Buprenorphine	N07BC01,N07BC51,N02AE01	-38.049	-36.121	-38.049	947.0	Other	Approved
DB00922	Levosimendan	C01CX08	-35.001999999999995	-28.654	-35.001999999999995	1155.0	Other	Approved
DB00923	Ceforanide	J01DC11	-59.476000000000006	-59.658	-59.658	23.0	Antiinfectives	Approved
DB00924	Cyclobenzaprine	M03BX08	-38.074	-38.891	-38.891	886.0	Other	Approved
DB00925	Phenoxybenzamine	C04AX02	-31.864	-26.524	-31.864	1348.0	Other	Approved
DB00927	Famotidine	A02BA53,A02BA03	-33.926	-36.482	-36.482	1073.0	Other	Approved
DB00928	Azacitidine	L01BC07	-19.207	-20.787	-20.787	1881.0	Other	Approved
DB00929	Misoprostol	G02AD06,A02BB01,M01AE56	-43.593	-39.027	-43.593	590.0	Other	Approved
DB00931	Metacycline	J01AA05,J01AA20	-43.849	-31.535	-43.849	572.0	Antiinfectives	Approved
DB00932	Tipranavir	J05AE09	-53.286	-46.07	-53.286	124.0	Protease-Inhibitors	Approved
DB00933	Mesoridazine	N05AC03	-44.838	-40.221	-44.838	524.0	Other	Approved
DB00934	Maprotiline	N06AA21	-37.098	-33.689	-37.098	1009.0	Other	Approved
DB00935	Oxymetazoline	S01GA04,R01AB07,R01AA05	-31.08	-30.678	-31.08	1404.0	Other	Approved
DB00936	Salicylic-acid	D01AE12,N02BA04,N02BA12,S01BC08	-23.173	-26.38	-26.38	1654.0	Other	Approved
DB00937	Diethylpropion	A08AA03	-22.229	-24.564	-24.564	1729.0	Other	Approved
DB00938	Salmeterol	R03AK06,R03AK12,R03AC12	-48.484	-44.70399999999999	-48.484	319.0	Other	Approved
DB00939	Meclofenamic-acid	M01AG04,M02AA18	-36.526	-33.76	-36.526	1066.0	Other	Approved
DB00940	Methantheline	A03AB07	-33.959	-39.835	-39.835	830.0	Other	Approved
DB00941	Hexafluronium	M03AC05	-53.833	-55.302	-55.302	83.0	Other	Approved
DB00942	Cycrimine	NA	-29.525	-38.166	-38.166	933.0	NA	Approved
DB00943	Zalcitabine	J05AF03	-15.762	-27.384	-27.384	1600.0	Antivirals	Approved
DB00944	Demecarium	S01EB04	-46.76600000000001	-48.425	-48.425	322.0	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	-27.534	-27.534	1592.0	Other	Approved
DB00946	Phenprocoumon	B01AA04	-33.605	-32.653	-33.605	1257.0	Other	Approved
DB00947	Fulvestrant	L02BA03	-52.01300000000001	-49.338	-52.01300000000001	164.0	Other	Approved
DB00948	Mezlocillin	J01CR50,J01CA10	-49.94	-47.684	-49.94	246.0	Antiinfectives	Approved
DB00949	Felbamate	N03AX10	-23.926	-28.161	-28.161	1565.0	Other	Approved
DB00950	Fexofenadine	R06AX26	-52.659	-53.28	-53.28	125.0	Other	Approved
DB00951	Isoniazid	J04AM04,J04AM01,J04AM03,J04AM02,J04AC01,J04AM06,J04AM05,J04AM07,J04AM08,J04AC51	-10.898	-18.575	-18.575	1945.0	Antiinfectives	Approved
DB00952	Naratriptan	N02CC02	-38.682	-36.787	-38.682	900.0	Other	Approved
DB00953	Rizatriptan	N02CC04	-39.83	-36.042	-39.83	831.0	Other	Approved
DB00955	Netilmicin	S01AA23,J01GB07	-38.738	-50.517	-50.517	224.0	Antiinfectives	Approved
DB00956	Hydrocodone	R05DA03	-30.32	-31.723000000000006	-31.723000000000006	1363.0	Other	Approved
DB00957	Norgestimate	G03AA11,G03FA13,G03AB09	-36.183	-30.297	-36.183	1091.0	Other	Approved
DB00959	Methylprednisolone	D10AA02,H02AB04,H02BX01,D07CA02,S01CA08,D07AA01	-34.97	-28.923	-34.97	1159.0	Other	Approved
DB00960	Pindolol	C07CA03,C07AA03	-28.311	-32.751999999999995	-32.751999999999995	1295.0	Other	Approved
DB00961	Mepivacaine	N01BB53,N01BB03	-20.632	-33.489000000000004	-33.489000000000004	1262.0	Other	Approved
DB00962	Zaleplon	N05CF03	-42.803	-27.132	-42.803	631.0	Other	Approved
DB00963	Bromfenac	S01BC11	-37.288	-38.211	-38.211	930.0	Other	Approved
DB00964	Apraclonidine	S01EA03	-15.594	-23.683000000000003	-23.683000000000003	1767.0	Other	Approved
DB00966	Telmisartan	C09DB04,C09CA07,C09DA07	-50.497	-63.459	-63.459	9.0	Other	Approved
DB00967	Desloratadine	R06AX27	-32.55	-37.504	-37.504	980.0	Other	Approved
DB00968	Methyldopa	NA	-26.296	-23.601	-26.296	1657.0	NA	Approved
DB00969	Alosetron	A03AE01	-33.605	-37.152	-37.152	1003.0	Other	Approved
DB00972	Azelastine	R06AX19,S01GX07,R01AC03	-47.283	-45.408	-47.283	369.0	Other	Approved
DB00973	Ezetimibe	C10BA02,C10BA05,C10AX09,C10BA06	-42.458	-40.392	-42.458	650.0	Other	Approved
DB00974	Edetic-acid	NA	-37.849	-29.842	-37.849	963.0	NA	Approved
DB00975	Dipyridamole	B01AC07	-33.342	-46.505	-46.505	406.0	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	-25.581	-25.581	1689.0	Other	Approved
DB00978	Lomefloxacin	S01AE04,J01MA07	-36.804	-29.238000000000003	-36.804	1034.0	Antiinfectives	Approved
DB00979	Cyclopentolate	S01FA54,S01FA04	-33.718	-32.59	-33.718	1246.0	Other	Approved
DB00980	Ramelteon	N05CH02	-33.262	-31.682	-33.262	1276.0	Other	Approved
DB00981	Physostigmine	S01EB05,V03AB19	-24.252	-26.022	-26.022	1673.0	Other	Approved
DB00982	Isotretinoin	D10AD04,D10AD54,D10BA01	-39.582	-44.161	-44.161	563.0	Other	Approved
DB00983	Formoterol	R03AL09,R03AL07,R03AK08,R03AC13,R03AL05,R03AK11,R03AK07,R03AK09	-39.08	-40.258	-40.258	804.0	Other	Approved
DB00984	Nandrolone-phenpropionate	NA	-45.129	-37.23	-45.129	503.0	NA	Approved
DB00986	Glycopyrronium	A03AB02,R03AL09,R03AL07,A03CA05,R03AL04,R03BB06	-32.506	-35.313	-35.313	1139.0	Other	Approved
DB00987	Cytarabine	L01BC01,L01XY01	-18.769	-27.381	-27.381	1601.0	Other	Approved
DB00988	Dopamine	C01CA04	-18.419	-22.349	-22.349	1825.0	Other	Approved
DB00989	Rivastigmine	N06DA03	-23.408	-24.032	-24.032	1749.0	Other	Approved
DB00990	Exemestane	L02BG06	-30.73	-30.598000000000006	-30.73	1430.0	Other	Approved
DB00991	Oxaprozin	M01AE12	-44.624	-42.505	-44.624	535.0	Other	Approved
DB00992	Methyl-aminolevulinate	L01XD03	-16.667	-23.713	-23.713	1764.0	Other	Approved
DB00993	Azathioprine	L04AX01	-27.003	-29.354	-29.354	1503.0	Other	Approved
DB00996	Gabapentin	N03AX12	-23.557	-25.022	-25.022	1712.0	Other	Approved
DB00997	Doxorubicin	L01DB01	-47.244	-46.157	-47.244	370.0	Other	Approved
DB00998	Frovatriptan	N02CC07	-33.681	-35.878	-35.878	1111.0	Other	Approved
DB00999	Hydrochlorothiazide	C09BX03,C03AX01,C09DX03,C03AB03,C03EA01,C09DX06,C09XA52,G01AE10,C09DX01,C03AA03,C09XA54	-27.216	-24.94	-27.216	1610.0	Other	Approved
DB01000	Cyclacillin	J01CR50	-42.679	-39.879	-42.679	638.0	Antiinfectives	Approved
DB01001	Salbutamol	R03AK04,R03AC02,R03CC02,R03AK13,R03AL02	-28.037	-28.615	-28.615	1545.0	Other	Approved
DB01002	Levobupivacaine	N01BB10	-31.878	-28.499	-31.878	1346.0	Other	Approved
DB01003	Cromoglicic-acid	R03AK05,R03AK04,R03BC01,R01AC51,S01GX51,R01AC01,S01GX01,D11AH03,A07EB01	-51.358	-58.303	-58.303	35.0	Other	Approved
DB01004	Ganciclovir	J05AB06,S01AD09	-26.779	-31.579	-31.579	1371.0	Antivirals	Approved
DB01006	Letrozole	L02BG04	-41.21	-33.281	-41.21	734.0	Other	Approved
DB01007	Tioconazole	G01AF20,D01AC07,G01AF08	-36.784	-38.235	-38.235	927.0	Other	Approved
DB01008	Busulfan	L01AB01	-17.038	-27.599	-27.599	1587.0	Other	Approved
DB01009	Ketoprofen	M01AE03,M02AA10,M01AE53	-38.004	-36.968	-38.004	951.0	Other	Approved
DB01010	Edrophonium	NA	-12.009	-21.628	-21.628	1856.0	NA	Approved
DB01011	Metyrapone	V04CD01	-26.379	-30.9	-30.9	1417.0	Other	Approved
DB01012	Cinacalcet	H05BX01	-47.217	-36.945	-47.217	371.0	Other	Approved
DB01013	Clobetasol-propionate	NA	-37.827	-38.558	-38.558	909.0	NA	Approved
DB01014	Balsalazide	A07EC04	-47.731	-30.615	-47.731	353.0	Other	Approved
DB01015	Sulfamethoxazole	J04AM08,J01EE01,G01AE10,J01EC01	-22.497	-26.056	-26.056	1669.0	Antiinfectives	Approved
DB01016	Glyburide	A10BB01	-43.26300000000001	-46.283	-46.283	417.0	Other	Approved
DB01017	Minocycline	J01AA08,J01AA20,A01AB23	-45.24100000000001	-45.06800000000001	-45.24100000000001	491.0	Antiinfectives	Approved
DB01018	Guanfacine	C02AC02	-21.882	-21.725	-21.882	1848.0	Other	Approved
DB01019	Bethanechol	N07AB02	-21.702	-17.215	-21.702	1851.0	Other	Approved
DB01020	Isosorbide-mononitrate	C01DA14	-14.558	-16.421	-16.421	1995.0	Other	Approved
DB01021	Trichlormethiazide	G01AE10,C03AA06,C03EA02,C03AB06	-31.821	-21.422	-31.821	1351.0	Other	Approved
DB01022	Vitamin-K1	B02BA01	-56.428	-47.51300000000001	-56.428	64.0	Other	Approved
DB01023	Felodipine	C07FB02,C08CA02,C09BB05	-38.999	-33.315	-38.999	880.0	Other	Approved
DB01024	Mycophenolic-acid	L04AA06	-40.847	-41.465	-41.465	720.0	Other	Approved
DB01025	Amlexanox	A01AD07,R03DX01	-38.094	-36.13800000000001	-38.094	941.0	Other	Approved
DB01026	Ketoconazole	G01AF11,G01AF20,J02AB02,D01AC08	-45.598	-35.597	-45.598	465.0	Antiinfectives	Approved
DB01028	Methoxyflurane	N02BG09	-16.259	-16.102	-16.259	1998.0	Other	Approved
DB01029	Irbesartan	C09CA04,C09DB05,C09DA04	-55.117	-53.556	-55.117	88.0	Other	Approved
DB01030	Topotecan	L01XX17	-35.232	-41.072	-41.072	744.0	Other	Approved
DB01031	Ethinamate	NA	-13.669	-24.029	-24.029	1750.0	NA	Approved
DB01032	Probenecid	M04AB01,G01AE10	-26.603	-30.768	-30.768	1426.0	Other	Approved
DB01033	Mercaptopurine	L01BB02,R03DA20	-19.943	-20.303	-20.303	1899.0	Other	Approved
DB01035	Procainamide	C01BA02	-27.233	-31.238000000000003	-31.238000000000003	1388.0	Other	Approved
DB01036	Tolterodine	G04BD07	-36.906	-39.355	-39.355	859.0	Other	Approved
DB01037	Selegiline	N04BD01	-25.612	-24.626	-25.612	1688.0	Other	Approved
DB01039	Fenofibrate	C10BA03,C10AB05,C10BA04	-35.181999999999995	-42.81399999999999	-42.81399999999999	628.0	Other	Approved
DB01041	Thalidomide	L04AX02	-23.197	-26.446	-26.446	1651.0	Other	Approved
DB01042	Melphalan	L01AA03	-32.55	-33.814	-33.814	1239.0	Other	Approved
DB01043	Memantine	N06DA52,N06DX01,N06DA53	-17.927	-23.899	-23.899	1754.0	Other	Approved
DB01044	Gatifloxacin	S01AE06,J01MA16	-38.091	-33.337	-38.091	943.0	Antiinfectives	Approved
DB01046	Lubiprostone	A06AX03	-46.127	-43.003	-46.127	427.0	Other	Approved
DB01047	Fluocinonide	C05AA11,D07AC08,D07CC05	-41.205	-39.892	-41.205	736.0	Other	Approved
DB01048	Abacavir	J05AR02,J05AR13,J05AR04,J05AF06	-21.008000000000006	-31.797	-31.797	1354.0	Antivirals	Approved
DB01050	Ibuprofen	G02CC01,C01EB16,M01AE01,M02AA13,R02AX02,N02AJ08,N02AJ19,M01AE51	-27.552	-35.805	-35.805	1114.0	Other	Approved
DB01051	Novobiocin	NA	-50.912	-44.937	-50.912	209.0	NA	Approved
DB01053	Benzylpenicillin	J01CR50,J01CE01,S01AA14,J01CE08	-37.28	-41.063	-41.063	746.0	Antiinfectives	Approved
DB01054	Nitrendipine	C08CA08,C09BB06	-36.632	-34.338	-36.632	1052.0	Other	Approved
DB01056	Tocainide	C01BB03	-5.497000000000001	-27.636	-27.636	1584.0	Other	Approved
DB01057	Echothiophate	S01EB03	-27.867	-18.876	-27.867	1576.0	Other	Approved
DB01058	Praziquantel	P02BA01	-39.759	-38.262	-39.759	835.0	Other	Approved
DB01059	Norfloxacin	J01RA13,S01AE02,J01MA06	-27.463	-34.027	-34.027	1229.0	Antiinfectives	Approved
DB01060	Amoxicillin	A02BD11,J01CR50,A02BD07,A02BD04,A02BD10,A02BD03,A02BD05,A02BD01,A02BD06,J01CA04	-37.304	-34.931999999999995	-37.304	994.0	Antiinfectives	Approved
DB01061	Azlocillin	J01CR50,J01CA09	-50.853	-46.69300000000001	-50.853	210.0	Antiinfectives	Approved
DB01062	Oxybutynin	G04BD04	NA	-41.792	-41.792	701.0	Other	Approved
DB01063	Acetophenazine	N05AB07	-40.616	-38.616	-40.616	776.0	Other	Approved
DB01064	Isoprenaline	C01CA02,R03AK02,R03AB02,R03CB01,R03CB51	-17.605999999999995	-23.995	-23.995	1752.0	Other	Approved
DB01065	Melatonin	N05CH01	-34.567	-31.919	-34.567	1195.0	Other	Approved
DB01066	Cefditoren	J01DD16	-50.403	-49.46100000000001	-50.403	229.0	Antiinfectives	Approved
DB01067	Glipizide	A10BB07	-40.938	-39.988	-40.938	754.0	Other	Approved
DB01068	Clonazepam	N03AE01	-27.845	-27.253	-27.845	1577.0	Other	Approved
DB01069	Promethazine	R06AD52,D04AA10,V03AB05,R06AD02	-33.8	-25.341	-33.8	1240.0	Other	Approved
DB01070	Dihydrotachysterol	A11CC02	-44.416	-35.141	-44.416	545.0	Other	Approved
DB01072	Atazanavir	J05AE08,J05AR15,J05AR23	-54.93899999999999	-57.129	-57.129	51.0	Protease-Inhibitors	Approved
DB01073	Fludarabine	L01BB05	-27.301	-29.695	-29.695	1491.0	Other	Approved
DB01074	Perhexiline	C08EX02	-32.615	-27.345	-32.615	1302.0	Other	Approved
DB01075	Diphenhydramine	D04AA32,R06AA02,D04AA33,R06AA52	-32.586	-34.984	-34.984	1157.0	Other	Approved
DB01076	Atorvastatin	C10BX15,C10AA05,C10BX03,C10BA05,C10BX11,C10BX08,C10BX06,C10BX12	-55.442	-62.94	-62.94	13.0	Other	Approved
DB01077	Etidronic-acid	M05BB01,M05BA01	-19.663	-31.076	-31.076	1406.0	Other	Approved
DB01079	Tegaserod	A06AX06	-39.869	-33.406	-39.869	825.0	Other	Approved
DB01080	Vigabatrin	N03AG04	-25.058000000000003	-23.803	-25.058000000000003	1707.0	Other	Approved
DB01081	Diphenoxylate	A07DA01	-42.75100000000001	-45.12600000000001	-45.12600000000001	504.0	Other	Approved
DB01082	Streptomycin	J04AM01,J01GA01,A07AA54,A07AA04	-38.676	-45.419	-45.419	481.0	Antiinfectives	Approved
DB01083	Orlistat	A08AB01	-49.44300000000001	-48.24800000000001	-49.44300000000001	272.0	Other	Approved
DB01084	Emedastine	S01GX06	-27.682	-31.75	-31.75	1358.0	Other	Approved
DB01085	Pilocarpine	N07AX01,S01EB01,S01EB51	-19.001	-23.873	-23.873	1756.0	Other	Approved
DB01086	Benzocaine	C05AD03,R02AD01,D04AB04,N01BA05	-9.415	-23.086	-23.086	1789.0	Other	Approved
DB01087	Primaquine	P01BA03	-28.464	-23.313	-28.464	1552.0	Other	Approved
DB01088	Iloprost	B01AC11	-49.31399999999999	-44.328	-49.31399999999999	274.0	Other	Approved
DB01089	Deserpidine	C02LA03,C02AA05	-48.174	-50.982	-50.982	205.0	Other	Approved
DB01090	Pentolinium	NA	-1.822	-23.672	-23.672	1768.0	NA	Approved
DB01091	Butenafine	D01AE23	-26.508000000000006	-40.575	-40.575	781.0	Other	Approved
DB01092	Ouabain	C01AC01	-39.086	-39.433	-39.433	857.0	Other	Approved
DB01095	Fluvastatin	C10AA04	-51.23	-44.274	-51.23	189.0	Other	Approved
DB01096	Oxamniquine	P02BA02	-29.254	-20.658	-29.254	1511.0	Other	Approved
DB01097	Leflunomide	L04AA13	-30.722	-31.647	-31.647	1369.0	Other	Approved
DB01098	Rosuvastatin	C10BX10,C10BX05,C10BX07,C10AA07,A10BH52,G01AE10,C10BX13,C10BX09,C10BX14,C10BA06	-52.471	-43.819	-52.471	146.0	Other	Approved
DB01099	Flucytosine	J02AX01,D01AE21	-18.889	-20.338	-20.338	1896.0	Antiinfectives	Approved
DB01100	Pimozide	N05AG02	-43.291	-48.997	-48.997	294.0	Other	Approved
DB01101	Capecitabine	L01BC06	-30.895	-34.698	-34.698	1180.0	Other	Approved
DB01102	Arbutamine	C01CA22	-35.86400000000001	-38.121	-38.121	937.0	Other	Approved
DB01104	Sertraline	N06AB06	-33.062	-36.477	-36.477	1074.0	Other	Approved
DB01105	Sibutramine	A08AA10	-30.17	-26.484	-30.17	1460.0	Other	Approved
DB01106	Levocabastine	R01AC02,S01GX02	-52.245	-44.096	-52.245	156.0	Other	Approved
DB01107	Methyprylon	N05CE02	-15.37	-19.076	-19.076	1933.0	Other	Approved
DB01110	Miconazole	A07AC01,J02AB01,D01AC52,G01AF20,A01AB09,D01AC02,S02AA13,G01AF04	-42.347	-38.93	-42.347	659.0	Antiinfectives	Approved
DB01112	Cefuroxime	S01AA27,J01DC02,J01RA03	-53.918	-49.249	-53.918	110.0	Antiinfectives	Approved
DB01113	Papaverine	G04BE02,A03AD01,G04BE52	-36.626	-37.621	-37.621	974.0	Other	Approved
DB01114	Chlorpheniramine	R06AB54,R06AB04	-35.497	-33.642	-35.497	1126.0	Other	Approved
DB01115	Nifedipine	C08CA55,C08GA01,C08CA05,C07FB03	-29.286	-32.239000000000004	-32.239000000000004	1330.0	Other	Approved
DB01116	Trimethaphan	C02BA01	-43.084	-45.687	-45.687	458.0	Other	Approved
DB01117	Atovaquone	P01AX06	-37.421	-38.76	-38.76	895.0	Other	Approved
DB01118	Amiodarone	C01BD01	-45.084	-32.008	-45.084	507.0	Other	Approved
DB01119	Diazoxide	G01AE10,C02DA01,V03AH01	-16.265	-18.932	-18.932	1935.0	Other	Approved
DB01120	Gliclazide	A10BB09	-32.259	-31.488000000000003	-32.259	1326.0	Other	Approved
DB01121	Phenacemide	N03AX07	-17.608	-24.874	-24.874	1718.0	Other	Approved
DB01122	Ambenonium	N07AA30	-52.822	-45.437	-52.822	135.0	Other	Approved
DB01123	Proflavine	NA	-29.997	-22.627	-29.997	1468.0	NA	Approved
DB01124	Tolbutamide	V04CA01,A10BB03	-27.133000000000006	-30.325	-30.325	1447.0	Other	Approved
DB01125	Anisindione	NA	-28.93	-32.054	-32.054	1339.0	NA	Approved
DB01126	Dutasteride	G04CB02,G04CA52	-45.207	-43.03100000000001	-45.207	495.0	Other	Approved
DB01127	Econazole	G01AF05,D01AC03,G01AF20	-38.162	-37.843	-38.162	934.0	Other	Approved
DB01128	Bicalutamide	L02BB03,L02AE51	-36.467	-33.041	-36.467	1075.0	Other	Approved
DB01129	Rabeprazole	A02BC54,M01AA05,A02BC04,M02AA03	-38.572	-34.687	-38.572	908.0	Other	Approved
DB01130	Prednicarbate	D07AC18	-46.07	-38.745	-46.07	432.0	Other	Approved
DB01131	Proguanil	P01BB01,P01BB51	-30.44	-29.374	-30.44	1442.0	Other	Approved
DB01132	Pioglitazone	A10BD09,A10BG03,A10BD05,A10BD06,A10BD12	-39.841	-41.02	-41.02	748.0	Other	Approved
DB01133	Tiludronic-acid	M05BA05	-30.253	-36.707	-36.707	1041.0	Other	Approved
DB01136	Carvedilol	C07AG02,C07FX06	-40.126	-31.654	-40.126	810.0	Other	Approved
DB01137	Levofloxacin	J01MA12,A02BD10,J01RA05,S01AE05	-36.348	-31.477	-36.348	1080.0	Antiinfectives	Approved
DB01138	Sulfinpyrazone	M04AB02	-39.06800000000001	-34.793	-39.06800000000001	876.0	Other	Approved
DB01139	Cefapirin	J01DB08	-45.433	-43.42	-45.433	479.0	Antiinfectives	Approved
DB01140	Cefadroxil	J01DB05	-42.974	-45.265	-45.265	489.0	Antiinfectives	Approved
DB01142	Doxepin	N06AA12,D04AX01	-37.621	-36.46	-37.621	975.0	Other	Approved
DB01143	Amifostine	V03AF05	-28.857	-28.473000000000006	-28.857	1532.0	Other	Approved
DB01144	Diclofenamide	G01AE10,S01EC02	-29.697	-27.262	-29.697	1490.0	Other	Approved
DB01145	Sulfoxone	J04BA03	-31.331	-45.216	-45.216	494.0	Antiinfectives	Approved
DB01146	Diphenylpyraline	R06AA57,R06AA07	-33.902	-39.197	-39.197	866.0	Other	Approved
DB01147	Cloxacillin	J01CR50,J01CF02	-47.097	-42.74800000000001	-47.097	379.0	Antiinfectives	Approved
DB01148	Flavoxate	G04BD02	-28.223000000000006	-49.475	-49.475	271.0	Other	Approved
DB01149	Nefazodone	N06AX06	-51.837	-38.34	-51.837	172.0	Other	Approved
DB01150	Cefprozil	J01DC10	-47.89100000000001	-50.05	-50.05	242.0	Antiinfectives	Approved
DB01151	Desipramine	N06AA01	-35.111999999999995	-31.483	-35.111999999999995	1150.0	Other	Approved
DB01153	Sertaconazole	G01AF19,G01AF20,D01AC14	-42.448	-43.94600000000001	-43.94600000000001	569.0	Other	Approved
DB01154	Thiamylal	N05CB01	-26.287	-21.289	-26.287	1658.0	Other	Approved
DB01155	Gemifloxacin	J01MA15	-50.455	-36.023	-50.455	227.0	Antiinfectives	Approved
DB01156	Bupropion	A08AA62,N06AX12	-27.776	-33.635	-33.635	1254.0	Other	Approved
DB01157	Trimetrexate	P01AX07	-41.014	-40.328	-41.014	750.0	Other	Approved
DB01158	Bretylium	C01BD02	-23.011	-15.245	-23.011	1796.0	Other	Approved
DB01159	Halothane	N01AB01	-0.762	-15.203	-15.203	2008.0	Other	Approved
DB01161	Chloroprocaine	N01BA04	-30.296	-33.151	-33.151	1284.0	Other	Approved
DB01162	Terazosin	G04CA03	-30.798	-35.951	-35.951	1106.0	Other	Approved
DB01165	Ofloxacin	J01MA01,J01RA09,S01AE01,S02AA16	-37.415	-31.763	-37.415	985.0	Antiinfectives	Approved
DB01166	Cilostazol	B01AC23	-49.652	-36.009	-49.652	262.0	Other	Approved
DB01167	Itraconazole	J02AC02	-65.107	-38.247	-65.107	4.0	Antiinfectives	Approved
DB01168	Procarbazine	L01XB01	-30.999	-21.551	-30.999	1412.0	Other	Approved
DB01170	Guanethidine	S01EX01,C02CC02,C02LF01	-22.038	-15.608	-22.038	1838.0	Other	Approved
DB01171	Moclobemide	N06AG02	-29.326	-34.999	-34.999	1156.0	Other	Approved
DB01172	Kanamycin	S01AA24,J01GB04,A07AA08	-39.821	-44.922	-44.922	515.0	Antiinfectives	Approved
DB01173	Orphenadrine	M03BC51,N04AB02,M03BC01	-30.168000000000006	-34.128	-34.128	1223.0	Other	Approved
DB01174	Phenobarbital	N05CB01,N03AA02	-26.738000000000003	-15.929	-26.738000000000003	1636.0	Other	Approved
DB01175	Escitalopram	N06AB10	-35.397	-40.306	-40.306	801.0	Other	Approved
DB01176	Cyclizine	R06AE03,R06AE53	-32.383	-30.721	-32.383	1318.0	Other	Approved
DB01177	Idarubicin	L01DB06	-47.387	-48.205	-48.205	331.0	Other	Approved
DB01178	Chlormezanone	M03BB02,M03BB72,M03BB52	-26.808000000000003	-24.374	-26.808000000000003	1632.0	Other	Approved
DB01179	Podofilox	D06BB04	-34.409	-32.912	-34.409	1212.0	Other	Approved
DB01180	Rescinnamine	C02LA52,C02LA02,C02AA01	-51.933	-50.152	-51.933	167.0	Other	Approved
DB01181	Ifosfamide	L01AA06	-22.231	-24.463	-24.463	1733.0	Other	Approved
DB01182	Propafenone	C01BC03	-44.164	-46.73	-46.73	393.0	Other	Approved
DB01183	Naloxone	A06AH04,N02AA53,V03AB15,N02AA55	-29.643	-30.896	-30.896	1418.0	Other	Approved
DB01184	Domperidone	A03FA03	-31.22	-36.99	-36.99	1023.0	Other	Approved
DB01185	Fluoxymesterone	G03BA01	-31.15	-26.334	-31.15	1394.0	Other	Approved
DB01186	Pergolide	N04BC02	-32.59	-35.535	-35.535	1125.0	Other	Approved
DB01187	Iophendylate	V08AD04	-41.392	-34.757	-41.392	723.0	Other	Approved
DB01188	Ciclopirox	D01AE14,G01AX12	-19.023	-25.916	-25.916	1677.0	Other	Approved
DB01189	Desflurane	N01AB07	-16.497	-16.577	-16.577	1992.0	Other	Approved
DB01190	Clindamycin	D10AF01,J01FF01,D10AF51,G01AA10	-38.789	-38.824	-38.824	892.0	Antiinfectives	Approved
DB01191	Dexfenfluramine	A08AA04	-30.497	-31.077	-31.077	1405.0	Other	Approved
DB01192	Oxymorphone	NA	-28.69	-29.277	-29.277	1508.0	NA	Approved
DB01193	Acebutolol	C07AB04,C07BB04	-41.753	-32.142	-41.753	703.0	Other	Approved
DB01194	Brinzolamide	S01EC54,S01EC04	-34.973	-28.48	-34.973	1158.0	Other	Approved
DB01195	Flecainide	C01BC04	-36.832	-43.701	-43.701	583.0	Other	Approved
DB01196	Estramustine	L01XX11	-43.543	-41.515	-43.543	594.0	Other	Approved
DB01197	Captopril	C09AA01,C09BA01	-30.008000000000006	-25.224	-30.008000000000006	1466.0	Other	Approved
DB01198	Zopiclone	N05CF01	-23.775	-41.024	-41.024	747.0	Other	Approved
DB01199	Tubocurarine	M03AA02	-52.227	-39.368	-52.227	157.0	Other	Approved
DB01200	Bromocriptine	N04BC01,G02CB01	-48.109	-51.16	-51.16	193.0	Other	Approved
DB01202	Levetiracetam	N03AX14	-19.464	-18.92	-19.464	1918.0	Other	Approved
DB01203	Nadolol	C07BA12,C07AA12	-37.897	-29.357	-37.897	959.0	Other	Approved
DB01204	Mitoxantrone	L01DB07	-48.834	-48.97	-48.97	296.0	Other	Approved
DB01205	Flumazenil	V03AB25	-33.166	-26.776	-33.166	1281.0	Other	Approved
DB01206	Lomustine	L01AD02	-26.609	-21.654	-26.609	1639.0	Other	Approved
DB01208	Sparfloxacin	J01MA09	-34.034	-34.922	-34.922	1162.0	Antiinfectives	Approved
DB01209	Dezocine	N02AX03	-25.725	-26.948	-26.948	1622.0	Other	Approved
DB01210	Levobunolol	S01ED03	-30.64	-39.022	-39.022	878.0	Other	Approved
DB01211	Clarithromycin	A02BD11,A02BD04,A02BD07,A02BD09,A02BD06,A02BD05,J01FA09	-45.944	-49.698	-49.698	257.0	Antiinfectives	Approved
DB01212	Ceftriaxone	J01DD04,J01DD54	-58.418	-52.191	-58.418	34.0	Antiinfectives	Approved
DB01214	Metipranolol	S01ED54,C07BA68,S01ED04	-36.024	-31.48	-36.024	1099.0	Other	Approved
DB01215	Estazolam	N05CD04	-32.626999999999995	-36.271	-36.271	1084.0	Other	Approved
DB01216	Finasteride	D11AX10,G04CA51,G04CB01	-40.889	-25.924	-40.889	758.0	Other	Approved
DB01217	Anastrozole	L02BG03	-36.377	-38.653	-38.653	903.0	Other	Approved
DB01218	Halofantrine	P01BX01	-42.322	-44.23	-44.23	559.0	Other	Approved
DB01219	Dantrolene	M03CA01	-32.81	-37.251	-37.251	999.0	Other	Approved
DB01221	Ketamine	N01AX03	-26.442	-27.052	-27.052	1617.0	Other	Approved
DB01222	Budesonide	D07AC09,R01AD05,R03AK07,A07EA06,R03BA02,R03AK12	-38.15	-39.9	-39.9	821.0	Other	Approved
DB01224	Quetiapine	N05AH04	-41.797	-39.418	-41.797	699.0	Other	Approved
DB01227	Levacetylmethadol	N07BC03	-32.56	-30.58	-32.56	1305.0	Other	Approved
DB01228	Encainide	C01BC08	-39.947	-41.983	-41.983	686.0	Other	Approved
DB01230	Pemoline	N06BA05	-22.393	-21.98	-22.393	1823.0	Other	Approved
DB01231	Diphenidol	NA	-40.732	-37.982	-40.732	769.0	NA	Approved
DB01232	Saquinavir	J05AE01	-57.464	-58.911	-58.911	31.0	Protease-Inhibitors	Approved
DB01233	Metoclopramide	A03FA01	-28.405	-38.239	-38.239	925.0	Other	Approved
DB01234	Dexamethasone	R01AD53,D07XB05,S03BA01,R01AD03,D10AA03,S01CB01,S02CA06,S03CA01,C05AA09,D07CB04,H02AB02,S01BA01,A01AC02,S01CA01,D07AB19,S02BA06	-33.441	-33.564	-33.564	1259.0	Other	Approved
DB01235	Levodopa	N04BA03,N04BA01,N04BA02	-31.269	-23.218000000000004	-31.269	1383.0	Other	Approved
DB01236	Sevoflurane	N01AB08	-17.814	-16.136	-17.814	1959.0	Other	Approved
DB01237	Bromodiphenhydramine	R06AA01	-32.61	-33.152	-33.152	1283.0	Other	Approved
DB01238	Aripiprazole	N05AX12	-33.348	-34.662	-34.662	1188.0	Other	Approved
DB01239	Chlorprothixene	N05AF03	-36.935	-37.764	-37.764	969.0	Other	Approved
DB01240	Epoprostenol	B01AC09	-47.567	-48.798	-48.798	301.0	Other	Approved
DB01241	Gemfibrozil	C10AB04	-39.897	-33.094	-39.897	823.0	Other	Approved
DB01242	Clomipramine	N06AA04	-36.931	-35.944	-36.931	1026.0	Other	Approved
DB01243	Chloroxine	NA	-21.891	-18.148	-21.891	1847.0	NA	Approved
DB01244	Bepridil	C08EA02	-44.552	-43.872	-44.552	539.0	Other	Approved
DB01245	Decamethonium	NA	-2.242	-32.531	-32.531	1308.0	NA	Approved
DB01246	Alimemazine	R06AD01	-37.252	-33.816	-37.252	998.0	Other	Approved
DB01247	Isocarboxazid	N06AF01	-30.553	-30.191	-30.553	1436.0	Other	Approved
DB01250	Olsalazine	A07EC03	-38.928	-40.41	-40.41	796.0	Other	Approved
DB01251	Gliquidone	A10BB08	-51.002	-50.191	-51.002	203.0	Other	Approved
DB01253	Ergometrine	G02AB03	-39.899	-37.861	-39.899	822.0	Other	Approved
DB01254	Dasatinib	L01XE06	-34.48	-34.339	-34.48	1203.0	Other	Approved
DB01255	Lisdexamfetamine	N06BA12	-38.533	-40.771	-40.771	764.0	Other	Approved
DB01256	Retapamulin	D06AX13	-47.155	-41.188	-47.155	376.0	Other	Approved
DB01259	Lapatinib	L01XE07	-64.314	-57.024	-64.314	7.0	Other	Approved
DB01260	Desonide	S01BA11,D07BB02,D07AB08	-36.67	-35.898	-36.67	1048.0	Other	Approved
DB01261	Sitagliptin	A10BH51,A10BD24,A10BD07,A10BH01,A10BD12	-41.808	-41.462	-41.808	697.0	Other	Approved
DB01262	Decitabine	L01BC08	-24.462	-20.888	-24.462	1734.0	Other	Approved
DB01263	Posaconazole	J02AC04	-45.157	-64.432	-64.432	5.0	Antiinfectives	Approved
DB01264	Darunavir	J05AR14,G01AE10,J05AR22,J05AE10	-47.104	-41.56399999999999	-47.104	378.0	Protease-Inhibitors	Approved
DB01265	Telbivudine	J05AF11	-26.835	-26.951	-26.951	1621.0	Antivirals	Approved
DB01267	Paliperidone	N05AX13	-43.803	-41.468	-43.803	577.0	Other	Approved
DB01268	Sunitinib	L01XE04	-44.543	-42.155	-44.543	540.0	Other	Approved
DB01273	Varenicline	N07BA03	-26.291	-26.976	-26.976	1620.0	Other	Approved
DB01274	Arformoterol	R03AL09,R03AK07,R03AL07,R03AC13	-40.26	-40.856	-40.856	759.0	Other	Approved
DB01275	Hydralazine	C02DB02,C02LG02	-16.407	-19.994	-19.994	1908.0	Other	Approved
DB01280	Nelarabine	L01BB07	-28.613000000000003	-30.883000000000006	-30.883000000000006	1419.0	Other	Approved
DB01283	Lumiracoxib	M01AH06	-37.553	-40.853	-40.853	760.0	Other	Approved
DB01288	Fenoterol	R03CC04,R03AL01,G02CA03,R03AC04	-31.133000000000006	-35.35800000000001	-35.35800000000001	1136.0	Other	Approved
DB01291	Pirbuterol	R03CC07,R03AC08	-31.225	-28.096	-31.225	1390.0	Other	Approved
DB01296	Glucosamine	M01AX05	-13.167	-20.376	-20.376	1894.0	Other	Approved
DB01297	Practolol	C07AB01	-24.43	-20.397	-24.43	1735.0	Other	Approved
DB01298	Sulfacytine	G01AE10	-31.874	-27.459	-31.874	1347.0	Other	Approved
DB01299	Sulfadoxine	G01AE10	-32.328	-26.585	-32.328	1321.0	Other	Approved
DB01301	Rolitetracycline	J01AA20,J01AA09	-56.595	-46.375	-56.595	61.0	Antiinfectives	Approved
DB01319	Fosamprenavir	J05AE07	-60.014	-54.322	-60.014	19.0	Protease-Inhibitors	Approved
DB01320	Fosphenytoin	N03AB05	-46.035	-47.825	-47.825	347.0	Other	Approved
DB01322	Kava	NA	-29.908	-27.115	-29.908	1474.0	NA	Approved
DB01324	Polythiazide	C03AA05,C03AB05,G01AE10	-29.294	-22.895	-29.294	1506.0	Other	Approved
DB01325	Quinethazone	C03BA02,G01AE10,C03BB02	-31.269	-30.795	-31.269	1384.0	Other	Approved
DB01326	Cefamandole	J01DC03	-52.71	-52.048	-52.71	137.0	Antiinfectives	Approved
DB01327	Cefazolin	J01DB04	-47.666	-43.164	-47.666	357.0	Antiinfectives	Approved
DB01328	Cefonicid	J01DC06	-50.967	-50.143	-50.967	206.0	Antiinfectives	Approved
DB01329	Cefoperazone	J01DD12	-59.077	-58.597	-59.077	28.0	Antiinfectives	Approved
DB01330	Cefotetan	J01DC05	-49.844	-42.99800000000001	-49.844	250.0	Antiinfectives	Approved
DB01331	Cefoxitin	J01DC01	-53.861	-50.744	-53.861	112.0	Antiinfectives	Approved
DB01332	Ceftizoxime	J01DD07	-40.476	-40.52	-40.52	786.0	Antiinfectives	Approved
DB01333	Cefradine	J01DB09	-45.53100000000001	-36.724	-45.53100000000001	473.0	Antiinfectives	Approved
DB01336	Metocurine	NA	-51.055	-42.61600000000001	-51.055	200.0	NA	Approved
DB01337	Pancuronium	M03AC01	-51.183	-33.4	-51.183	191.0	Other	Approved
DB01338	Pipecuronium	M03AC06	-51.271	-42.184	-51.271	184.0	Other	Approved
DB01339	Vecuronium	M03AC03	-48.651	-28.514	-48.651	310.0	Other	Approved
DB01340	Cilazapril	C09BA08,C09AA08	-43.004	-50.481	-50.481	225.0	Other	Approved
DB01348	Spirapril	C09AA11	-47.986	-49.488	-49.488	270.0	Other	Approved
DB01351	Amobarbital	N05CA02,N05CB01	-23.706	-17.78	-23.706	1766.0	Other	Approved
DB01353	Butobarbital	N05CA03	-13.628	-19.957	-19.957	1909.0	Other	Approved
DB01357	Mestranol	NA	-34.131	-28.315	-34.131	1222.0	NA	Approved
DB01359	Penbutolol	C07CA23,C07AA23	-27.156	-36.95	-36.95	1025.0	Other	Approved
DB01364	Ephedrine	S01FB02,R01AB05,C01CA26,R03CA02,A08AA56,R01AA03	-20.047	-22.932	-22.932	1801.0	Other	Approved
DB01365	Mephentermine	C01CA11	-20.447	-23.778	-23.778	1762.0	Other	Approved
DB01366	Procaterol	R03CC08,R03AC16	-28.763	-39.99800000000001	-39.99800000000001	818.0	Other	Approved
DB01367	Rasagiline	N04BD02	-22.841	-23.145	-23.145	1787.0	Other	Approved
DB01380	Cortisone-acetate	NA	-39.848	-36.804	-39.848	826.0	NA	Approved
DB01382	Glymidine	A10BC01,G01AE10	-31.25	-30.623	-31.25	1387.0	Other	Approved
DB01392	Yohimbine	G04BE04	-44.426	-35.552	-44.426	544.0	Other	Approved
DB01393	Bezafibrate	C10AB02	-44.777	-46.059	-46.059	433.0	Other	Approved
DB01394	Colchicine	M04AC01	-37.131	-34.367	-37.131	1005.0	Other	Approved
DB01395	Drospirenone	G03AC10,G03FA17,G03AA12	-30.568	-27.323	-30.568	1435.0	Other	Approved
DB01399	Salsalate	N02BA06	-37.936	-33.777	-37.936	956.0	Other	Approved
DB01400	Neostigmine	N07AA01,S01EB06,N07AA51	-23.597	-27.249	-27.249	1607.0	Other	Approved
DB01403	Methotrimeprazine	N05AA02	-37.409	-39.633	-39.633	846.0	Other	Approved
DB01406	Danazol	G03XA01	-37.99	-28.309	-37.99	953.0	Other	Approved
DB01407	Clenbuterol	R03CC13,R03AC14,R03CC63	-29.267	-28.354	-29.267	1510.0	Other	Approved
DB01409	Tiotropium	R03AL06,R03BB04,R03BB54	-36.839	-34.976	-36.839	1032.0	Other	Approved
DB01410	Ciclesonide	R03BA08,R01AD13	-51.258	-48.81399999999999	-51.258	186.0	Other	Approved
DB01413	Cefepime	J01DE01,J01RA06	-44.868	-51.231	-51.231	188.0	Antiinfectives	Approved
DB01415	Ceftibuten	J01DD14	-50.76300000000001	-43.567	-50.76300000000001	215.0	Antiinfectives	Approved
DB01416	Cefpodoxime	J01DD13	-47.757	-52.674	-52.674	138.0	Antiinfectives	Approved
DB01418	Acenocoumarol	B01AA07	-37.632	-36.829	-37.632	973.0	Other	Approved
DB01419	Antrafenine	NA	-41.652	-54.44	-54.44	100.0	NA	Approved
DB01420	Testosterone-propionate	NA	-38.483	-36.265	-38.483	911.0	NA	Approved
DB01421	Paromomycin	A07AA06	-45.918	-50.824	-50.824	212.0	Other	Approved
DB01424	Aminophenazone	N02BB53,N02BB03,N02BB73	-29.046	-30.428	-30.428	1443.0	Other	Approved
DB01426	Ajmaline	C01BA05	-30.259	-27.335	-30.259	1452.0	Other	Approved
DB01427	Amrinone	C01CE01	-20.529	-24.316	-24.316	1739.0	Other	Approved
DB01428	Oxybenzone	NA	-31.116	-28.072	-31.116	1398.0	NA	Approved
DB01430	Almitrine	R07AB07	-51.038	-43.112	-51.038	201.0	Other	Approved
DB01435	Antipyrine	N02BB51,N02BB71,N02BB01,S02DA03	-23.369	-24.65	-24.65	1724.0	Other	Approved
DB01436	Alfacalcidol	A11CC03,M05BB06	-44.914	-40.149	-44.914	517.0	Other	Approved
DB01437	Glutethimide	N05CE01	-22.912	-28.761	-28.761	1537.0	Other	Approved
DB01438	Phenazopyridine	G04BX06	-30.273000000000003	-27.11	-30.273000000000003	1451.0	Other	Approved
DB01440	gamma-Hydroxybutyric-acid	NA	-16.113	-21.946	-21.946	1844.0	NA	Approved
DB01452	Diamorphine	N07BC06	-38.591	-31.574	-38.591	907.0	Other	Approved
DB01501	Difenoxin	A07DA04	-51.325	-48.246	-51.325	182.0	Other	Approved
DB01544	Flunitrazepam	N05CD03	-31.393	-26.832	-31.393	1378.0	Other	Approved
DB01551	Dihydrocodeine	N02AA58,N02AA08,N02AJ02,N02AJ01	-26.148000000000003	-28.587	-28.587	1546.0	Other	Approved
DB01558	Bromazepam	N05BA08	-21.73	-28.068	-28.068	1570.0	Other	Approved
DB01559	Clotiazepam	N05BA21	-36.561	-36.054	-36.561	1060.0	Other	Approved
DB01563	Chloral-hydrate	N05CC01	-13.101	-14.001	-14.001	2014.0	Other	Approved
DB01576	Dextroamphetamine	N06BA02	-19.633	-23.791	-23.791	1761.0	Other	Approved
DB01577	Metamfetamine	N06BA03	-20.901	-25.264	-25.264	1701.0	Other	Approved
DB01579	Phendimetrazine	NA	-20.89	-24.271	-24.271	1741.0	NA	Approved
DB01580	Oxprenolol	C07BA02,C07AA02,C07CA02	-28.735	-28.153	-28.735	1538.0	Other	Approved
DB01581	Sulfamerazine	J01ED07,D06BA06,G01AE10,J01EE07	-21.961	-27.633000000000006	-27.633000000000006	1585.0	Antiinfectives	Approved
DB01582	Sulfamethazine	J01EB03,G01AE10,J01EE05	-19.498	-32.08	-32.08	1337.0	Antiinfectives	Approved
DB01586	Ursodeoxycholic-acid	A05AA02	-45.01600000000001	-42.036	-45.01600000000001	511.0	Other	Approved
DB01587	Ketazolam	N05BA10	-33.591	-31.194000000000006	-33.591	1258.0	Other	Approved
DB01588	Prazepam	N05BA11	-36.512	-26.308000000000003	-36.512	1070.0	Other	Approved
DB01589	Quazepam	N05CD10	-34.655	-34.227	-34.655	1190.0	Other	Approved
DB01591	Solifenacin	G04BD08,G04CA53	-38.165	-42.368	-42.368	657.0	Other	Approved
DB01595	Nitrazepam	N05CD02	-27.619	-25.467	-27.619	1586.0	Other	Approved
DB01597	Cilastatin	J01DH51	-49.637	-43.487	-49.637	263.0	Antiinfectives	Approved
DB01598	Imipenem	J01DH51	-40.607	-32.859	-40.607	778.0	Antiinfectives	Approved
DB01599	Probucol	C10AX02	-43.767	-36.649	-43.767	578.0	Other	Approved
DB01600	Tiaprofenic-acid	M01AE11	-38.734	-38.744	-38.744	897.0	Other	Approved
DB01601	Lopinavir	J05AR10	-55.987	-52.593	-55.987	70.0	Protease-Inhibitors	Approved
DB01602	Bacampicillin	J01CR50,J01CA06	-45.228	-44.69300000000001	-45.228	493.0	Antiinfectives	Approved
DB01603	Meticillin	J01CR50,J01CF03	-36.079	-43.03	-43.03	617.0	Antiinfectives	Approved
DB01604	Pivampicillin	J01CR50,J01CA02	-47.053	-48.008	-48.008	337.0	Antiinfectives	Approved
DB01605	Pivmecillinam	J01CR50,J01CA08	-47.988	-50.115	-50.115	239.0	Antiinfectives	Approved
DB01606	Tazobactam	J01CG02	-29.54	-27.592	-29.54	1499.0	Antiinfectives	Approved
DB01607	Ticarcillin	J01CR50,J01CA13	-45.787	-43.619	-45.787	449.0	Antiinfectives	Approved
DB01608	Periciazine	N05AC01	-45.89	-44.324	-45.89	444.0	Other	Approved
DB01609	Deferasirox	V03AC03	-49.762	-44.231	-49.762	252.0	Other	Approved
DB01610	Valganciclovir	J05AB14	-42.09	-41.784	-42.09	680.0	Antivirals	Approved
DB01611	Hydroxychloroquine	P01BA02	-39.238	-29.373	-39.238	862.0	Other	Approved
DB01612	Amyl-Nitrite	V03AB22	NA	-18.902	-18.902	1936.0	Other	Approved
DB01613	Erythrityl-tetranitrate	C01DA63,C01DA13	-14.595	-17.247	-17.247	1977.0	Other	Approved
DB01616	Alverine	A03AX08,A03AX58	-37.13	-36.382	-37.13	1006.0	Other	Approved
DB01618	Molindone	N05AE02	-29.876	-32.751999999999995	-32.751999999999995	1294.0	Other	Approved
DB01619	Phenindamine	R06AX04	-33.48	-33.069	-33.48	1263.0	Other	Approved
DB01620	Pheniramine	R06AB05,D04AA16	-32.388000000000005	-32.46	-32.46	1310.0	Other	Approved
DB01621	Pipotiazine	N05AC04	-50.572	-48.899	-50.572	223.0	Other	Approved
DB01623	Thiothixene	N05AF04	-47.137	-43.81399999999999	-47.137	377.0	Other	Approved
DB01624	Zuclopenthixol	N05AF05	-41.273	-46.202	-46.202	421.0	Other	Approved
DB01625	Isopropamide	A03CA01,A03AB09	-35.222	-36.234	-36.234	1089.0	Other	Approved
DB01626	Pargyline	C02LL01,C02KC01	-22.371	-16.42	-22.371	1824.0	Other	Approved
DB01627	Lincomycin	J01FF02	-36.514	-35.205	-36.514	1069.0	Antiinfectives	Approved
DB01628	Etoricoxib	M01AH05	-33.193000000000005	-33.622	-33.622	1256.0	Other	Approved
DB01632	5-O-phosphono-alpha-D-ribofuranosyl-diphosphate	NA	-42.075	-45.651	-45.651	461.0	NA	Approved
DB01638	Sorbitol	B05CX02,V04CC01,A06AD18,A06AG07	-15.509	-16.762	-16.762	1988.0	Other	Approved
DB01656	Roflumilast	R03DX07	-40.48	-32.748000000000005	-40.48	791.0	Other	Approved
DB01698	Rutin	C05CA01,C05CA51	-50.407	-43.817	-50.407	228.0	Other	Approved
DB01708	Prasterone	G03EA03,G03XX01,A14AA07	-25.052	-34.071	-34.071	1226.0	Other	Approved
DB01718	Cetrimonium	D08AJ04,D11AC01,R02AA17,D08AJ02	-2.1630000000000003	-36.534	-36.534	1064.0	Other	Approved
DB01744	Camphor	C01EB02	-19.895	-20.673	-20.673	1884.0	Other	Approved
DB01764	Dalfopristin	NA	-56.304	-52.605	-56.304	68.0	NA	Approved
DB01783	Pantothenic-acid	D03AX04,A11HA31	-28.307	-25.732	-28.307	1554.0	Other	Approved
DB01914	D-glucose	NA	-16.715	-18.9	-18.9	1937.0	NA	Approved
DB01956	Taurine	NA	-11.228	-17.349	-17.349	1974.0	NA	Approved
DB01987	Cocarboxylase	NA	-38.749	-44.176	-44.176	561.0	NA	Approved
DB02266	Flufenamic-acid	M01AG03	-35.596	-35.564	-35.596	1123.0	Other	Approved
DB02300	Calcipotriol	D05AX52,D05AX02	-42.389	-40.205	-42.389	655.0	Other	Approved
DB02362	Aminobenzoic-acid	D02BA01,D11AX23	-21.173	-27.426	-27.426	1596.0	Other	Approved
DB02513	Thymol	NA	-16.684	-20.705	-20.705	1883.0	NA	Approved
DB02530	gamma-Aminobutyric-acid	NA	-22.038	-14.15	-22.038	1837.0	NA	Approved
DB02546	Vorinostat	L01XX38	-34.844	-35.26	-35.26	1143.0	Other	Approved
DB02659	Cholic-Acid	A05AA03	-41.566	-37.474	-41.566	717.0	Other	Approved
DB02701	Nicotinamide	A11HA01	-11.039	-18.873	-18.873	1938.0	Other	Approved
DB02703	Fusidic-acid	S01AA13,D09AA02,J01XC01,D06AX01	-46.58	-44.973	-46.58	404.0	Antiinfectives	Approved
DB02709	Resveratrol	NA	-28.624	-28.057	-28.624	1544.0	NA	Approved
DB02772	Sucrose	NA	-24.618	-27.24	-27.24	1608.0	NA	Approved
DB02789	Pregnenolone	NA	-32.662	-33.756	-33.756	1243.0	NA	Approved
DB02893	D-Methionine	NA	-13.099	-21.925	-21.925	1845.0	NA	Approved
DB02925	Piretanide	C03CA03,G01AE10	-37.097	-33.537	-37.097	1010.0	Other	Approved
DB02959	Oxitriptan	N06AX01	-31.802	-31.668000000000006	-31.802	1353.0	Other	Approved
DB03017	Lauric-acid	NA	-33.441	-32.757	-33.441	1268.0	NA	Approved
DB03088	Pidolic-acid	A12CC08	-16.683	-20.317	-20.317	1897.0	Other	Approved
DB03128	Acetylcholine	S01EB09	-22.031	-16.123	-22.031	1840.0	Other	Approved
DB03193	Stearic-acid	NA	-46.179	-47.813	-47.813	350.0	NA	Approved
DB03209	Oteracil	NA	-13.996	-16.798	-16.798	1987.0	NA	Approved
DB03247	Flavin-mononucleotide	NA	-53.57	-53.779	-53.779	115.0	NA	Approved
DB03310	Glutathione-disulfide	NA	-56.87300000000001	-53.2	-56.87300000000001	55.0	NA	Approved
DB03312	Brivudine	J05AB15	-31.931	-29.594	-31.931	1341.0	Antivirals	Approved
DB03585	Oxyphenbutazone	M01AA03,M02AA04,S01BC02	-34.957	-34.419000000000004	-34.957	1161.0	Other	Approved
DB03615	Ribostamycin	J01GB10	-38.371	-44.928	-44.928	514.0	Antiinfectives	Approved
DB03619	Deoxycholic-acid	D11AX24	-49.552	-40.823	-49.552	268.0	Other	Approved
DB03754	Tromethamine	B05XX02,B05BB03	-18.066	-19.628	-19.628	1915.0	Other	Approved
DB03756	Doconexent	NA	-46.504	-46.502	-46.504	407.0	NA	Approved
DB03793	Benzoic-acid	A16AX11,V04CG30	-20.216	-20.804	-20.804	1880.0	Other	Approved
DB03796	Palmitic-Acid	NA	-42.398	-43.945	-43.945	570.0	NA	Approved
DB03929	D-Serine	NA	-17.293	-14.12	-17.293	1976.0	NA	Approved
DB04038	Ergosterol	NA	-40.913	-38.457	-40.913	757.0	NA	Approved
DB04115	Berberine	NA	-34.369	-23.621	-34.369	1214.0	NA	Approved
DB04160	Pyrophosphoric-acid	NA	-20.495	-31.93	-31.93	1342.0	NA	Approved
DB04173	Fructose	V06DC02	-14.723	-16.676	-16.676	1991.0	Other	Approved
DB04209	Dequalinium	D08AH01,R02AA02,G01AC05	-49.234	-44.005	-49.234	276.0	Other	Approved
DB04221	Didecyldimethylammonium	D08AJ06	-1.507	-28.217	-28.217	1560.0	Other	Approved
DB04224	Oleic-Acid	NA	-47.18899999999999	-45.925	-47.18899999999999	372.0	NA	Approved
DB04272	Citric-acid	A09AB04	-29.029	-20.238	-29.029	1522.0	Other	Approved
DB04339	Carbocisteine	R05CB03	-32.305	-26.655	-32.305	1324.0	Other	Approved
DB04348	Taurocholic-acid	NA	-40.964	-44.975	-44.975	513.0	NA	Approved
DB04465	Lactose	NA	-26.696	-27.349	-27.349	1603.0	NA	Approved
DB04540	Cholesterol	NA	-42.62	-40.99100000000001	-42.62	643.0	NA	Approved
DB04564	Gluconolactone	NA	-14.841	-17.750999999999994	-17.750999999999994	1964.0	NA	Approved
DB04570	Latamoxef	J01DD06	-54.00899999999999	-50.00100000000001	-54.00899999999999	109.0	Antiinfectives	Approved
DB04571	Trioxsalen	D05BA01,D05AD01	-26.824	-26.35	-26.824	1630.0	Other	Approved
DB04573	Estriol	G03CC06,G03CA04	-28.838	-29.997	-29.997	1467.0	Other	Approved
DB04574	Estrone-sulfate	NA	-35.53800000000001	-28.509	-35.53800000000001	1124.0	NA	Approved
DB04575	Quinestrol	NA	-45.202	-39.197	-45.202	496.0	NA	Approved
DB04657	Carboxin	NA	-28.981	-26.772	-28.981	1526.0	NA	Approved
DB04703	Hesperidin	NA	-46.988	-43.925	-46.988	386.0	NA	Approved
DB04743	Nimesulide	M02AA26,M01AX17	-32.731	-34.358000000000004	-34.358000000000004	1215.0	Other	Approved
DB04794	Bifonazole	D01AC10,D01AC60	-41.103	-38.871	-41.103	740.0	Other	Approved
DB04812	Benoxaprofen	M01AE06	-31.835	-39.165	-39.165	870.0	Other	Approved
DB04813	Bithionol	D10AB01,P02BX01	-21.821	-35.332	-35.332	1137.0	Other	Approved
DB04815	Clioquinol	G01AC02,S02AA05,D09AA10,P01AA02,P01AA52,D08AH30	-20.236	-18.751	-20.236	1903.0	Other	Approved
DB04816	Dantron	A06AB53,A06AB03,A06AG03	-10.832	-27.149	-27.149	1614.0	Other	Approved
DB04817	Metamizole	N02BB72,N02BB02,N02BB52	-22.905	-36.676	-36.676	1045.0	Other	Approved
DB04820	Nialamide	N06AF02	-38.478	-30.171	-38.478	912.0	Other	Approved
DB04821	Nomifensine	N06AX04	-25.528	-28.552	-28.552	1547.0	Other	Approved
DB04822	Oxeladin	R05DB09	-38.914	-40.792	-40.792	762.0	Other	Approved
DB04824	Phenolphthalein	A06AB04	-17.779	-33.425	-33.425	1269.0	Other	Approved
DB04825	Prenylamine	C01DX52,C01DX02	-40.151	-40.574	-40.574	782.0	Other	Approved
DB04826	Thenalidine	R06AX03,R06AX53,D04AA03	-32.126	-34.022	-34.022	1230.0	Other	Approved
DB04832	Zimelidine	N06AB02	-32.657	-32.619	-32.657	1299.0	Other	Approved
DB04834	Rapacuronium	NA	-52.824	-38.237	-52.824	134.0	NA	Approved
DB04835	Maraviroc	J05AX09	-53.71100000000001	-49.847	-53.71100000000001	118.0	Antivirals	Approved
DB04837	Clofedanol	R05DB10	-34.453	-31.441	-34.453	1205.0	Other	Approved
DB04838	Cyclandelate	C04AX01	-29.405	-36.37	-36.37	1078.0	Other	Approved
DB04839	Cyproterone-acetate	G03HB01,G03HA01	-40.616	-33.74	-40.616	777.0	Other	Approved
DB04840	Debrisoquine	C02CC04	-19.359	-15.373	-19.359	1923.0	Other	Approved
DB04841	Flunarizine	N07CA03	-45.447	-42.713	-45.447	477.0	Other	Approved
DB04842	Fluspirilene	N05AG01	-34.664	-47.334	-47.334	366.0	Other	Approved
DB04843	Mepenzolate	A03AB12	-37.368	-40.484	-40.484	789.0	Other	Approved
DB04844	Tetrabenazine	N07XX06	-36.653	-30.299	-36.653	1050.0	Other	Approved
DB04845	Ixabepilone	L01DC04	-46.902	-38.732	-46.902	388.0	Other	Approved
DB04846	Celiprolol	C07AB08	-43.639	-38.095	-43.639	585.0	Other	Approved
DB04854	Febuxostat	M04AA03	-40.635	-36.99	-40.635	774.0	Other	Approved
DB04855	Dronedarone	C01BD07	-52.539	-53.57	-53.57	121.0	Other	Approved
DB04861	Nebivolol	C07FB12,C09DX05,C07BB12,C07AB12	-32.521	-38.043	-38.043	948.0	Other	Approved
DB04864	Huperzine-A	NA	-28.126	-26.449	-28.126	1566.0	NA	Approved
DB04865	Omacetaxine-mepesuccinate	L01XX40	-44.708	-49.178	-49.178	280.0	Other	Approved
DB04868	Nilotinib	L01XE08	-53.802	-50.853	-53.802	113.0	Other	Approved
DB04871	Lorcaserin	A08AA11	-22.647	-25.856	-25.856	1682.0	Other	Approved
DB04876	Vildagliptin	A10BH02,A10BD08	-29.958	-39.439	-39.439	856.0	Other	Approved
DB04880	Enoximone	C01CE03	-23.739	-29.081	-29.081	1519.0	Other	Approved
DB04890	Bepotastine	NA	-44.205	-45.197	-45.197	497.0	NA	Approved
DB04896	Milnacipran	N06AX17	-31.783	-29.376	-31.783	1355.0	Other	Approved
DB04898	Ximelagatran	B01AE05	-35.703	-54.777	-54.777	94.0	Other	Approved
DB04908	Flibanserin	G02CX02	-39.094	-29.869	-39.094	874.0	Other	Approved
DB04918	Ceftobiprole	NA	-45.158	-45.747	-45.747	452.0	NA	Approved
DB04920	Clevidipine	C08CA16	-41.804	-39.073	-41.804	698.0	Other	Approved
DB04930	Permethrin	P03AC54,P03AC04	-39.532	-42.538	-42.538	648.0	Other	Approved
DB04938	Ospemifene	G03XC05	-42.572	-44.038	-44.038	566.0	Other	Approved
DB04946	Iloperidone	N05AX14	-39.256	-42.975	-42.975	622.0	Other	Approved
DB04948	Lofexidine	N07BC04	-18.898	-19.381	-19.381	1921.0	Other	Approved
DB04951	Pirfenidone	L04AX05	-24.642	-20.479	-24.642	1727.0	Other	Approved
DB04953	Ezogabine	N03AX21	-27.368	-32.886	-32.886	1292.0	Other	Approved
DB05013	Ingenol-mebutate	D06BX02	-43.603	-40.966	-43.603	587.0	Other	Approved
DB05015	Belinostat	L01XX49	-35.978	-33.188	-35.978	1104.0	Other	Approved
DB05016	Ataluren	M09AX03	-40.214	-39.109	-40.214	808.0	Other	Approved
DB05018	Migalastat	A16AX14	-12.608	-17.863	-17.863	1958.0	Other	Approved
DB05039	Indacaterol	R03AC18,R03AL04	-45.279	-47.93	-47.93	342.0	Other	Approved
DB05057	Erdosteine	R05CB15	-27.854	-32.962	-32.962	1289.0	Other	Approved
DB05154	Pretomanid	NA	-31.856	-38.691	-38.691	899.0	NA	Approved
DB05239	Cobimetinib	L01XE38	-49.553	-47.341	-49.553	267.0	Other	Approved
DB05246	Methsuximide	N03AD03	-27.59	-22.701	-27.59	1588.0	Other	Approved
DB05271	Rotigotine	N04BC09	-36.179	-37.928	-37.928	958.0	Other	Approved
DB05294	Vandetanib	L01XE12	-40.824	-42.19300000000001	-42.19300000000001	669.0	Other	Approved
DB05316	Pimavanserin	N05AX17	-48.809	-47.146	-48.809	300.0	Other	Approved
DB05351	Dexlansoprazole	A02BC06	-34.838	-33.265	-34.838	1170.0	Other	Approved
DB05381	Histamine	L03AX14,V04CG03	-12.637	-23.076	-23.076	1791.0	Other	Approved
DB05521	Telaprevir	J05AP02	-56.025	-64.398	-64.398	6.0	Protease-Inhibitors	Approved
DB05541	Brivaracetam	N03AX23	-28.782	-24.663	-28.782	1536.0	Other	Approved
DB05676	Apremilast	L04AA32	-42.101000000000006	-33.667	-42.101000000000006	679.0	Other	Approved
DB05812	Abiraterone	L02BX03	-38.628	-38.86	-38.86	888.0	Other	Approved
DB05990	Obeticholic-acid	A05AA04	-48.113	-43.975	-48.113	335.0	Other	Approved
DB06016	Cariprazine	N05AX15	-45.174	-35.671	-45.174	500.0	Other	Approved
DB06077	Lumateperone	NA	-44.174	-46.669	-46.669	396.0	NA	Approved
DB06119	Cenobamate	NA	-25.509	-31.367	-31.367	1380.0	NA	Approved
DB06144	Sertindole	N05AE03	-40.212	-48.234	-48.234	329.0	Other	Approved
DB06147	Sulfathiazole	J01EB07,G01AE10,D06BA02	-25.406	-25.718000000000004	-25.718000000000004	1684.0	Antiinfectives	Approved
DB06148	Mianserin	N06AX03	-30.345	-32.326	-32.326	1322.0	Other	Approved
DB06150	Sulfadimethoxine	J01ED01,G01AE10	-34.685	-34.292	-34.685	1183.0	Antiinfectives	Approved
DB06151	Acetylcysteine	R05CB01,S01XA08,V03AB23	-25.485	-22.514	-25.485	1694.0	Other	Approved
DB06152	Nylidrin	C04AA02,G02CA02	-34.789	-35.324	-35.324	1138.0	Other	Approved
DB06153	Pizotifen	N02CX01	-34.499	-31.441	-34.499	1201.0	Other	Approved
DB06154	Pentaerythritol-tetranitrate	C01DA55,C01DA05	-15.666	-20.478	-20.478	1890.0	Other	Approved
DB06155	Rimonabant	A08AX01	-42.856	-42.198	-42.856	625.0	Other	Approved
DB06174	Noscapine	R05DA07	-35.598	-37.288	-37.288	996.0	Other	Approved
DB06176	Romidepsin	L01XX39	-35.907	-41.38	-41.38	724.0	Other	Approved
DB06193	Pixantrone	L01DB11	-50.99100000000001	-49.101000000000006	-50.99100000000001	204.0	Other	Approved
DB06201	Rufinamide	N03AF03	-17.721	-26.509	-26.509	1644.0	Other	Approved
DB06202	Lasofoxifene	G03XC03	-45.997	-44.628	-45.997	437.0	Other	Approved
DB06203	Alogliptin	A10BD13,A10BD09,A10BH04	-33.019	-37.718	-37.718	971.0	Other	Approved
DB06204	Tapentadol	N02AX06	-32.459	-27.03	-32.459	1312.0	Other	Approved
DB06207	Silodosin	G04CA04	-39.822	-42.803	-42.803	630.0	Other	Approved
DB06209	Prasugrel	B01AC22	-41.445	-39.845	-41.445	721.0	Other	Approved
DB06210	Eltrombopag	B02BX05	-49.288	-49.756	-49.756	253.0	Other	Approved
DB06211	Doripenem	J01DH04	-46.43	-43.892	-46.43	411.0	Antiinfectives	Approved
DB06212	Tolvaptan	C03XA01	-49.257	-39.145	-49.257	275.0	Other	Approved
DB06213	Regadenoson	C01EB21	-35.767	-40.116	-40.116	811.0	Other	Approved
DB06217	Vernakalant	C01BG11	-25.092	-31.128	-31.128	1395.0	Other	Approved
DB06218	Lacosamide	N03AX18	-29.65	-33.652	-33.652	1251.0	Other	Approved
DB06228	Rivaroxaban	B01AF01	-44.916	-38.67	-44.916	516.0	Other	Approved
DB06230	Nalmefene	N07BB05	-27.709	-32.446	-32.446	1315.0	Other	Approved
DB06237	Avanafil	G04BE10	-48.74100000000001	-41.105	-48.74100000000001	303.0	Other	Approved
DB06243	Eflornithine	P01CX03,D11AX16	-22.801	-21.85	-22.801	1807.0	Other	Approved
DB06249	Arzoxifene	NA	-42.828	-38.97	-42.828	626.0	NA	Approved
DB06261	Hexaminolevulinate	NA	-37.058	-32.404	-37.058	1015.0	NA	Approved
DB06262	Droxidopa	C01CA27	-29.797	-25.991	-29.797	1480.0	Other	Approved
DB06267	Udenafil	G04BE11	-50.089	-38.522	-50.089	241.0	Other	Approved
DB06268	Sitaxentan	C02KX03	-42.20399999999999	-33.285	-42.20399999999999	667.0	Other	Approved
DB06274	Alvimopan	A06AH02	-50.355	-44.972	-50.355	232.0	Other	Approved
DB06282	Levocetirizine	R06AE09	-42.14100000000001	-48.135	-48.135	333.0	Other	Approved
DB06288	Amisulpride	N05AL05	-25.679	-42.178	-42.178	671.0	Other	Approved
DB06290	Simeprevir	G01AE10,J05AP05	-62.839	-49.575	-62.839	14.0	Protease-Inhibitors	Approved
DB06292	Dapagliflozin	A10BK01,A10BD15,A10BD21,A10BD25	-41.378	-38.216	-41.378	725.0	Other	Approved
DB06335	Saxagliptin	A10BD21,A10BD25,A10BH03,A10BD10	-41.213	-33.841	-41.213	733.0	Other	Approved
DB06401	Bazedoxifene	G03XC02,G03CC07	-46.188	-34.866	-46.188	423.0	Other	Approved
DB06403	Ambrisentan	C02KX02,C02KX52	-40.843	-41.528	-41.528	718.0	Other	Approved
DB06410	Doxercalciferol	H05BX03	-42.935	-39.792	-42.935	623.0	Other	Approved
DB06412	Oxymetholone	A14AA05	-29.101	-29.641	-29.641	1494.0	Other	Approved
DB06413	Armodafinil	N06BA13	-33.503	-35.231	-35.231	1144.0	Other	Approved
DB06414	Etravirine	J05AG04	-47.646	-43.815	-47.646	358.0	Antivirals	Approved
DB06480	Prucalopride	A06AX05	-32.446	-28.428	-32.446	1314.0	Other	Approved
DB06589	Pazopanib	L01XE11	-47.08600000000001	-47.99100000000001	-47.99100000000001	339.0	Other	Approved
DB06590	Ceftaroline-fosamil	J01DI02	-54.937	-52.667	-54.937	89.0	Antiinfectives	Approved
DB06594	Agomelatine	N06AX22	-34.666	-31.8	-34.666	1187.0	Other	Approved
DB06595	Midostaurin	L01XE39	-48.583	-47.839	-48.583	315.0	Other	Approved
DB06603	Panobinostat	L01XX42	-38.517	-44.368	-44.368	550.0	Other	Approved
DB06605	Apixaban	B01AF02	-45.545	-41.38399999999999	-45.545	472.0	Other	Approved
DB06608	Tafenoquine	NA	-52.332	-41.011	-52.332	151.0	NA	Approved
DB06614	Peramivir	J05AH03	-35.439	-34.315	-35.439	1132.0	Antivirals	Approved
DB06616	Bosutinib	L01XE14	-50.824	-59.643	-59.643	24.0	Other	Approved
DB06626	Axitinib	L01XE17	-40.095	-41.697	-41.697	706.0	Other	Approved
DB06636	Isavuconazonium	NA	-49.975	-59.083	-59.083	27.0	NA	Approved
DB06654	Safinamide	N04BD03	-36.433	-35.404	-36.433	1077.0	Other	Approved
DB06684	Vilazodone	N06AX24	-49.679	-36.907	-49.679	259.0	Other	Approved
DB06691	Mepyramine	D04AA02,R06AC01	-28.007	-29.666	-29.666	1492.0	Other	Approved
DB06694	Xylometazoline	R01AB06,R01AA07,S01GA53,S01GA03	-29.734	-31.116	-31.116	1397.0	Other	Approved
DB06695	Dabigatran-etexilate	B01AE07	-52.351000000000006	-46.19	-52.351000000000006	150.0	Other	Approved
DB06697	Artemether	P01BF01,P01BE02	-22.915	-26.482	-26.482	1647.0	Other	Approved
DB06698	Betahistine	N07CA01	-20.368	-23.664	-23.664	1769.0	Other	Approved
DB06700	Desvenlafaxine	N06AX23	-29.109	-28.189	-29.109	1517.0	Other	Approved
DB06701	Dexmethylphenidate	N06BA11	-36.528	-27.897	-36.528	1065.0	Other	Approved
DB06702	Fesoterodine	G04BD11	-43.04	-41.486	-43.04	616.0	Other	Approved
DB06704	Iobenguane	V09IX01,V09IX02,V10XA02	-18.927	-24.686	-24.686	1722.0	Other	Approved
DB06706	Isometheptene	A03AX10	-20.155	-25.477	-25.477	1695.0	Other	Approved
DB06707	Levonordefrin	NA	-18.522	-22.494	-22.494	1818.0	NA	Approved
DB06708	Lumefantrine	P01BF01	-41.938	-49.62	-49.62	264.0	Other	Approved
DB06709	Methacholine	NA	-22.036	-17.889	-22.036	1839.0	NA	Approved
DB06710	Methyltestosterone	G03BA02,G03EA01,G03EK01	-35.449	-30.973000000000006	-35.449	1130.0	Other	Approved
DB06711	Naphazoline	R01AB02,S01GA01,S01GA51,R01AA08	-27.246	-28.224	-28.224	1559.0	Other	Approved
DB06712	Nilvadipine	C08CA10	-34.077	-34.422	-34.422	1209.0	Other	Approved
DB06713	Norelgestromin	G03AA13	-30.762	-30.484	-30.762	1428.0	Other	Approved
DB06714	Propylhexedrine	NA	-21.435	-20.588	-21.435	1866.0	NA	Approved
DB06716	Fospropofol	NA	-40.002	-36.777	-40.002	817.0	NA	Approved
DB06717	Fosaprepitant	A04AD12	-56.113	-62.548	-62.548	15.0	Other	Approved
DB06718	Stanozolol	A14AA02	-26.779	-26.888	-26.888	1627.0	Other	Approved
DB06725	Lornoxicam	M01AC05	-38.348	-30.54	-38.348	919.0	Other	Approved
DB06729	Sulfaphenazole	S01AB05,J01ED08,G01AE10	-35.039	-31.986	-35.039	1154.0	Antiinfectives	Approved
DB06736	Aceclofenac	M01AB16,M02AA25	-39.023	-40.481	-40.481	790.0	Other	Approved
DB06742	Ambroxol	R03CC63,R05CB06	-27.236	-20.569000000000006	-27.236	1609.0	Other	Approved
DB06751	Drotaverine	A03AD02	-42.669	-37.469	-42.669	639.0	Other	Approved
DB06753	Triclofos	N05CM07	-14.732	-26.545	-26.545	1641.0	Other	Approved
DB06755	Beta-carotene	A11CA02,D02BB01	-2.129	-41.275	-41.275	731.0	Other	Approved
DB06756	Glycine-betaine	A16AA06,A09AB02	-0.235	-18.236	-18.236	1952.0	Other	Approved
DB06762	Pinacidil	C02DG01,C02LX01	-37.198	-28.669	-37.198	1002.0	Other	Approved
DB06764	Tetryzoline	S01GA02,S01GA52,R01AB03,R01AA06	-20.151	-23.474	-23.474	1774.0	Other	Approved
DB06766	Alcaftadine	S01GX11	-39.626	-41.006	-41.006	751.0	Other	Approved
DB06769	Bendamustine	L01AA09	-51.562	-42.828	-51.562	179.0	Other	Approved
DB06770	Benzyl-alcohol	P03AX06	-17.807000000000006	-17.357	-17.807000000000006	1961.0	Other	Approved
DB06771	Besifloxacin	S01AE08	-42.56399999999999	-47.43	-47.43	364.0	Other	Approved
DB06774	Capsaicin	M02AB01,N01BX04	-37.825	-32.434	-37.825	966.0	Other	Approved
DB06775	Carglumic-acid	A16AA05	-32.393	-30.029	-32.393	1317.0	Other	Approved
DB06777	Chenodeoxycholic-acid	A05AA01	-46.389	-42.58	-46.389	414.0	Other	Approved
DB06780	Desoxycorticosterone-acetate	NA	-39.544	-34.063	-39.544	851.0	NA	Approved
DB06781	Difluprednate	D07AC19	-45.19	-42.69600000000001	-45.19	499.0	Other	Approved
DB06782	Dimercaprol	V03AB09	-12.261	-16.910999999999998	-16.910999999999998	1983.0	Other	Approved
DB06786	Halcinonide	D07AD02	-35.184	-34.798	-35.184	1147.0	Other	Approved
DB06787	Hexocyclium	A03AB10	-34.41	-33.38	-34.41	1211.0	Other	Approved
DB06789	Hydroxyprogesterone-caproate	NA	-44.844	-39.803	-44.844	523.0	NA	Approved
DB06794	Lodoxamide	S01GX05	-29.884	-23.049	-29.884	1476.0	Other	Approved
DB06795	Mafenide	G01AE10,D06BA03	-19.011	-22.947	-22.947	1800.0	Other	Approved
DB06797	Mebutamate	N05BC04	-23.545	-22.66	-23.545	1771.0	Other	Approved
DB06799	Methenamine	J01XX05	-27.022	-22.54	-27.022	1618.0	Antiinfectives	Approved
DB06800	Methylnaltrexone	A06AH01	-29.594	-30.804	-30.804	1423.0	Other	Approved
DB06802	Nepafenac	S01BC10	-34.882	-31.554	-34.882	1164.0	Other	Approved
DB06803	Niclosamide	P02DA01	-28.814	-27.469	-28.814	1535.0	Other	Approved
DB06804	Nonoxynol-9	NA	-55.746	-54.809	-55.746	72.0	NA	Approved
DB06807	Phenyl-aminosalicylate	NA	-19.324	-30.185	-30.185	1459.0	NA	Approved
DB06809	Plerixafor	L03AX16	-53.524	-64.146	-64.146	8.0	Other	Approved
DB06811	Polidocanol	C05BB02	-42.654	-48.56	-48.56	316.0	Other	Approved
DB06813	Pralatrexate	L01BA05	-55.199	-43.132	-55.199	86.0	Other	Approved
DB06814	Protokylol	NA	-37.168	-38.234	-38.234	928.0	NA	Approved
DB06815	Pyrithione	D11AX12	-18.245	-9.714	-18.245	1951.0	Other	Approved
DB06816	Pyrvinium	P02CX01	-35.645	-41.326	-41.326	729.0	Other	Approved
DB06817	Raltegravir	J05AR16,J05AX08	-45.379	-42.49800000000001	-45.379	486.0	Antivirals	Approved
DB06819	Phenylbutyric-acid	A16AX03	-26.154	-31.946	-31.946	1340.0	Other	Approved
DB06820	Sulconazole	D01AC09	-36.481	-38.472	-38.472	913.0	Other	Approved
DB06821	Sulfameter	J01ED04,G01AE10	-22.728	-30.216	-30.216	1454.0	Antiinfectives	Approved
DB06823	Tiopronin	G04BX16	-10.964	-20.498	-20.498	1889.0	Other	Approved
DB06824	Triethylenetetramine	A16AX12	-28.826	-20.658	-28.826	1534.0	Other	Approved
DB06826	Unoprostone	S01EE02	-49.658	-54.937	-54.937	90.0	Other	Approved
DB06827	Viomycin	NA	-58.26300000000001	-57.88800000000001	-58.26300000000001	37.0	NA	Approved
DB07565	Chloramphenicol-succinate	NA	-43.489	-40.891	-43.489	598.0	NA	Approved
DB07776	Flavone	NA	-30.845	-25.994	-30.845	1422.0	NA	Approved
DB08439	Parecoxib	M01AH04	-35.07	-34.268	-35.07	1152.0	Other	Approved
DB08604	Triclosan	D08AE04,D09AA06	-27.489	-25.267	-27.489	1594.0	Other	Approved
DB08797	Salicylamide	N02BA75,N02BA55,N02BA05	-18.155	-22.95	-22.95	1799.0	Other	Approved
DB08799	Antazoline	R06AX05,R01AC04	-22.168000000000006	-33.992	-33.992	1233.0	Other	Approved
DB08801	Dimetindene	R06AB03,D04AA13	-39.539	-40.744	-40.744	768.0	Other	Approved
DB08804	Nandrolone-decanoate	NA	-48.64	-41.35	-48.64	312.0	NA	Approved
DB08809	Dichloroacetic-acid	NA	-10.445	-19.303	-19.303	1928.0	NA	Approved
DB08814	Triflusal	B01AC18	-25.165	-26.737	-26.737	1637.0	Other	Approved
DB08815	Lurasidone	N05AE05	-48.63	-36.023	-48.63	313.0	Other	Approved
DB08816	Ticagrelor	B01AC24	-48.642	-44.343	-48.642	311.0	Other	Approved
DB08819	Tafluprost	S01EE05	-44.282	-33.336	-44.282	553.0	Other	Approved
DB08820	Ivacaftor	R07AX31,R07AX02,R07AX30	-41.169	-42.139	-42.139	675.0	Other	Approved
DB08822	Azilsartan-medoxomil	C09CA09,C09DA09	-52.044	-50.284	-52.044	162.0	Other	Approved
DB08824	Ioflupane-I-123	V09AB03	-33.393	-33.521	-33.521	1261.0	Other	Approved
DB08826	Deferiprone	V03AC02	-23.502	-19.538	-23.502	1773.0	Other	Approved
DB08827	Lomitapide	C10AX12	-50.115	-47.86600000000001	-50.115	239.0	Other	Approved
DB08828	Vismodegib	L01XX43	-46.107	-41.793	-46.107	428.0	Other	Approved
DB08842	Acetylcarnitine	N06BX12	-20.044	-22.163	-22.163	1833.0	Other	Approved
DB08860	Pitavastatin	C10AA08	-52.435	-50.026	-52.435	148.0	Other	Approved
DB08864	Rilpivirine	J05AR19,J05AR21,J05AR08,J05AG05	-52.11600000000001	-39.838	-52.11600000000001	160.0	Antivirals	Approved
DB08865	Crizotinib	L01XE16	-46.14	-49.882	-49.882	249.0	Other	Approved
DB08867	Ulipristal	G03AD02,G03XB02	-44.789	-38.675	-44.789	526.0	Other	Approved
DB08868	Fingolimod	L04AA27	-41.898	-37.317	-41.898	692.0	Other	Approved
DB08871	Eribulin	L01XX41	-52.548	-53.774	-53.774	116.0	Other	Approved
DB08872	Gabapentin-enacarbil	NA	-32.598	-45.529	-45.529	474.0	NA	Approved
DB08873	Boceprevir	J05AP03	-46.418	-53.417	-53.417	123.0	Protease-Inhibitors	Approved
DB08875	Cabozantinib	L01XE26	-46.0	-39.4	-46.0	436.0	Other	Approved
DB08877	Ruxolitinib	L01XE18	-45.567	-41.31100000000001	-45.567	469.0	Other	Approved
DB08880	Teriflunomide	L04AA31	-19.357	-18.077	-19.357	1924.0	Other	Approved
DB08881	Vemurafenib	L01XE15,G01AE10	-50.83600000000001	-49.18899999999999	-50.83600000000001	211.0	Other	Approved
DB08882	Linagliptin	A10BH05,A10BD19,A10BD11	-53.613	-48.239	-53.613	120.0	Other	Approved
DB08883	Perampanel	N03AX22	-49.04	-43.051	-49.04	290.0	Other	Approved
DB08887	Icosapent-ethyl	NA	-44.78100000000001	-40.578	-44.78100000000001	527.0	NA	Approved
DB08889	Carfilzomib	L01XX45	-58.919	-57.51300000000001	-58.919	30.0	Other	Approved
DB08893	Mirabegron	G04BD12	-40.359	-46.07100000000001	-46.07100000000001	431.0	Other	Approved
DB08895	Tofacitinib	L04AA29	-33.733000000000004	-26.939	-33.733000000000004	1244.0	Other	Approved
DB08896	Regorafenib	L01XE21	-47.343	-49.61600000000001	-49.61600000000001	265.0	Other	Approved
DB08897	Aclidinium	R03BB05,R03AL05	-44.473	-40.502	-44.473	542.0	Other	Approved
DB08899	Enzalutamide	L02BB04	-43.195	-48.843	-48.843	298.0	Other	Approved
DB08901	Ponatinib	L01XE24	-50.285	-50.619	-50.619	221.0	Other	Approved
DB08903	Bedaquiline	J04AK05	-48.68600000000001	-48.691	-48.691	306.0	Antiinfectives	Approved
DB08905	Formestane	L02BG02	-26.379	-30.747	-30.747	1429.0	Other	Approved
DB08906	Fluticasone-furoate	R03AL08,R01AD12,R03AK10,R03BA09	-41.899	-41.895	-41.899	691.0	Other	Approved
DB08907	Canagliflozin	A10BD16,A10BK02	-43.735	-36.872	-43.735	580.0	Other	Approved
DB08908	Dimethyl-fumarate	L04AX07	-10.272	-19.667	-19.667	1914.0	Other	Approved
DB08909	Glycerol-phenylbutyrate	A16AX09	-44.752	-54.478	-54.478	99.0	Other	Approved
DB08910	Pomalidomide	L04AX06	-32.239000000000004	-30.389	-32.239000000000004	1329.0	Other	Approved
DB08911	Trametinib	L01XE25	-49.026	-35.563	-49.026	292.0	Other	Approved
DB08912	Dabrafenib	L01XE23	-43.051	-40.346	-43.051	615.0	Other	Approved
DB08916	Afatinib	L01XE13	-47.596	-46.139	-47.596	360.0	Other	Approved
DB08918	Levomilnacipran	NA	-28.004	-27.06	-28.004	1573.0	NA	Approved
DB08930	Dolutegravir	J05AX12,J05AR13,J05AR21	-37.863	-46.675	-46.675	395.0	Antivirals	Approved
DB08931	Riociguat	C02KX05	-47.851000000000006	-43.653	-47.851000000000006	346.0	Other	Approved
DB08932	Macitentan	C02KX04	-38.682	-41.017	-41.017	749.0	Other	Approved
DB08933	Luliconazole	D01AC18	-39.882	-38.566	-39.882	824.0	Other	Approved
DB08934	Sofosbuvir	J05AP08,J05AP51,J05AP55,J05AP56	-52.976000000000006	-48.398	-52.976000000000006	132.0	Antivirals	Approved
DB08936	Chlorcyclizine	R06AE04	-32.985	-33.446	-33.446	1266.0	Other	Approved
DB08941	Isoxsuprine	C04AA01	-32.916	-36.368	-36.368	1079.0	Other	Approved
DB08942	Isoxicam	NA	-29.322	-28.384	-29.322	1504.0	NA	Approved
DB08943	Isoconazole	G01AF07,D01AC05,G01AF20	-38.023	-38.849	-38.849	891.0	Other	Approved
DB08944	Isoaminile	R05DB04	-29.838	-24.372	-29.838	1478.0	Other	Approved
DB08946	Iopanoic-acid	V08AC06	-36.84	-27.313	-36.84	1031.0	Other	Approved
DB08954	Ifenprodil	C04AX28	-25.515	-40.337	-40.337	800.0	Other	Approved
DB08958	Hexetidine	G01AX16,A01AB12	-36.704	-31.889	-36.704	1042.0	Other	Approved
DB08964	Gemeprost	G02AD03	-46.023	-42.014	-46.023	435.0	Other	Approved
DB08965	Fusafungine	R02AB03	-51.286	-35.128	-51.286	183.0	Other	Approved
DB08966	Fursultiamine	NA	-43.431	-34.564	-43.431	601.0	NA	Approved
DB08967	Dimetotiazine	N02CX05	-41.685	-36.576	-41.685	707.0	Other	Approved
DB08971	Fluocortolone	D07AC05,D07BC03,D07CC06,S01CA04,D07XC05,H02AB03,C05AA08	-39.798	-32.514	-39.798	834.0	Other	Approved
DB08973	Fluclorolone-acetonide	NA	-35.219	-36.075	-36.075	1096.0	NA	Approved
DB08976	Floctafenine	N02BG04	-39.474	-41.512	-41.512	719.0	Other	Approved
DB08981	Fenbufen	M01AE05	-36.968	-37.433	-37.433	984.0	Other	Approved
DB08987	Etidocaine	N01BB07,N01BB57	-30.902	-22.645	-30.902	1416.0	Other	Approved
DB08988	Ethoheptazine	NA	-29.491	-31.667	-31.667	1366.0	NA	Approved
DB08995	Diosmin	C05CA03,C05CA53	-50.19	-39.119	-50.19	236.0	Other	Approved
DB09009	Articaine	N01BB58,N01BB08	-31.317	-34.488	-34.488	1202.0	Other	Approved
DB09015	Canrenoic-acid	C03DA02	-36.39	-38.3	-38.3	924.0	Other	Approved
DB09016	Butriptyline	N06AA15	-35.48699999999999	-35.456	-35.48699999999999	1127.0	Other	Approved
DB09019	Bromhexine	R05CB02	-27.402	-22.874	-27.402	1599.0	Other	Approved
DB09020	Bisacodyl	A06AB52,A06AB02,A06AG02	-43.023	-40.964	-43.023	620.0	Other	Approved
DB09026	Aliskiren	C09XA54,C09XA53,C09DX02,C09XA02,C09XA52	-52.158	-43.624	-52.158	158.0	Other	Approved
DB09030	Vorapaxar	B01AC26	-49.517	-42.21100000000001	-49.517	269.0	Other	Approved
DB09031	Miltefosine	L01XX09	-40.672	-37.903	-40.672	773.0	Other	Approved
DB09034	Suvorexant	N05CM19	-40.288	-49.666	-49.666	261.0	Other	Approved
DB09038	Empagliflozin	A10BD19,A10BD20,A10BK03	-46.039	-39.536	-46.039	434.0	Other	Approved
DB09039	Eliglustat	A16AX10	-45.947	-43.495	-45.947	440.0	Other	Approved
DB09040	Efinaconazole	D01AC19	-38.108	-37.639	-38.108	939.0	Other	Approved
DB09042	Tedizolid-phosphate	J01XX11	-33.383	-34.424	-34.424	1208.0	Antiinfectives	Approved
DB09047	Finafloxacin	NA	-42.554	-27.152	-42.554	647.0	NA	Approved
DB09048	Netupitant	NA	-45.099	-27.368	-45.099	505.0	NA	Approved
DB09049	Naloxegol	A06AH03	-55.63399999999999	-52.58	-55.63399999999999	73.0	Other	Approved
DB09050	Ceftolozane	J01DI54	-77.715	-74.069	-77.715	1.0	Antiinfectives	Approved
DB09053	Ibrutinib	L01XE27	-47.992	-49.059	-49.059	289.0	Other	Approved
DB09054	Idelalisib	L01XX47	-46.155	-45.272	-46.155	424.0	Other	Approved
DB09055	Acipimox	C10AD06	-18.258	-15.704	-18.258	1950.0	Other	Approved
DB09056	Amorolfine	D01AE16	-33.055	-38.329	-38.329	922.0	Other	Approved
DB09060	Avibactam	NA	-28.207	-20.458	-28.207	1561.0	NA	Approved
DB09061	Cannabidiol	N03AX24	-40.817	-35.007	-40.817	761.0	Other	Approved
DB09063	Ceritinib	L01XE28	-53.173	-46.846	-53.173	129.0	Other	Approved
DB09064	Ciprofibrate	C10AB08	-32.46	-22.595	-32.46	1311.0	Other	Approved
DB09068	Vortioxetine	N06AX26	-34.566	-28.032	-34.566	1196.0	Other	Approved
DB09069	Trimetazidine	C01EB15	-29.49	-28.42	-29.49	1500.0	Other	Approved
DB09070	Tibolone	G03CX01	-33.71	-36.609	-36.609	1054.0	Other	Approved
DB09071	Tasimelteon	N05CH03	-32.201	-31.372	-32.201	1333.0	Other	Approved
DB09073	Palbociclib	L01XE33	-43.644	-45.412	-45.412	482.0	Other	Approved
DB09074	Olaparib	L01XX46	-43.93	-47.095	-47.095	380.0	Other	Approved
DB09075	Edoxaban	B01AF03	-56.901	-52.916	-56.901	53.0	Other	Approved
DB09076	Umeclidinium	R03AL08,R03AL03,R03BB07	-45.913	-45.782	-45.913	442.0	Other	Approved
DB09078	Lenvatinib	L01XE29	-42.721	-41.249	-42.721	636.0	Other	Approved
DB09079	Nintedanib	L01XE31	-50.17100000000001	-48.57899999999999	-50.17100000000001	237.0	Other	Approved
DB09080	Olodaterol	R03AL06,R03AC19	-43.83600000000001	-43.084	-43.83600000000001	573.0	Other	Approved
DB09081	Idebenone	N06BX13	-46.663	-36.726	-46.663	397.0	Other	Approved
DB09082	Vilanterol	R03AL08,R03AK10,R03AL03	-47.948	-44.806	-47.948	340.0	Other	Approved
DB09083	Ivabradine	C01EB17,C07FX05,C07FX06	-43.92	-45.785	-45.785	450.0	Other	Approved
DB09084	Benzydamine	A01AD02,M01AX07,M02AA05,G02CC03,R02AX03	-41.705	-28.858	-41.705	705.0	Other	Approved
DB09085	Tetracaine	C05AD02,N01BA03,D04AB06,N01BA53,S01HA03	-33.317	-35.048	-35.048	1153.0	Other	Approved
DB09086	Eugenol	NA	-21.696	-16.078	-21.696	1852.0	NA	Approved
DB09088	Amylocaine	NA	-21.405	-32.617	-32.617	1301.0	NA	Approved
DB09089	Trimebutine	A03AA05	-39.293	-44.75899999999999	-44.75899999999999	528.0	Other	Approved
DB09090	Pinaverium	A03AX04	-45.195	-35.817	-45.195	498.0	Other	Approved
DB09091	Tixocortol	R01AD57,R01AD07,A07EA05	-36.19	-37.023	-37.023	1020.0	Other	Approved
DB09092	Xanthinol	C04AD02	-29.982	-34.851	-34.851	1169.0	Other	Approved
DB09093	Chlortetracycline	D06AA02,S01AA02,J01AA03,J01AA20,A01AB21	-44.33	-40.305	-44.33	551.0	Antiinfectives	Approved
DB09095	Difluocortolone	D07AC06,D07XC04,D07BC04	-35.757	-30.737	-35.757	1117.0	Other	Approved
DB09096	Benzoyl-peroxide	D10AE01,D10AE51	-32.083	-29.894	-32.083	1336.0	Other	Approved
DB09097	Quinagolide	G02CB04	-36.928	-41.617	-41.617	715.0	Other	Approved
DB09101	Elvitegravir	J05AR09,J05AX11,J05AR18	-50.952	-45.81800000000001	-50.952	207.0	Antivirals	Approved
DB09102	Daclatasvir	J05AP07	-44.959	-45.798	-45.798	448.0	Antivirals	Approved
DB09110	Coenzyme-M	R05CB05,V03AF01	-9.683	-21.682	-21.682	1854.0	Other	Approved
DB09114	Colfosceril-palmitate	R07AA01	-56.868	-54.672	-56.868	56.0	Other	Approved
DB09115	Diiodohydroxyquinoline	G01AC01	-12.312	-18.171	-18.171	1954.0	Other	Approved
DB09117	Paraldehyde	N05CC05	-16.271	-15.4	-16.271	1997.0	Other	Approved
DB09118	Stiripentol	N03AX17	-30.211	-20.446	-30.211	1456.0	Other	Approved
DB09119	Eslicarbazepine-acetate	N03AF04	-34.346	-32.371	-34.346	1216.0	Other	Approved
DB09120	Zucapsaicin	M02AB02	-40.936	-35.525	-40.936	755.0	Other	Approved
DB09123	Dienogest	G03AB08,G03DB08,G03FA15,G03AA16	-37.064	-34.128	-37.064	1014.0	Other	Approved
DB09124	Medrogestone	G03FB07,G03DB03	-39.32	-34.876999999999995	-39.32	861.0	Other	Approved
DB09128	Brexpiprazole	N05AX16	-33.371	-34.735	-34.735	1175.0	Other	Approved
DB09133	Iothalamic-acid	V08AA04	-26.81	-26.507	-26.81	1631.0	Other	Approved
DB09136	Isosulfan-blue	NA	-56.749	-50.622	-56.749	60.0	NA	Approved
DB09143	Sonidegib	L01XX48	-48.382	-43.719	-48.382	326.0	Other	Approved
DB09144	Uridine-triacetate	A16AX13	-25.523000000000003	-31.81	-31.81	1352.0	Other	Approved
DB09148	Florbetaben-(18F)	V09AX06	-40.622	-39.426	-40.622	775.0	Other	Approved
DB09149	Florbetapir-(18F)	V09AX05	-38.668	-37.935	-38.668	902.0	Other	Approved
DB09151	Flutemetamol-(18F)	V09AX04	-22.557	-26.635	-26.635	1638.0	Other	Approved
DB09167	Dosulepin	N06AA16	-37.089	-37.082	-37.089	1011.0	Other	Approved
DB09183	Dasabuvir	J05AP09,J05AP52	-48.304	-43.448	-48.304	328.0	Antivirals	Approved
DB09185	Viloxazine	N06AX09	-25.469	-26.903	-26.903	1626.0	Other	Approved
DB09195	Lorpiprazole	NA	-45.50100000000001	-32.128	-45.50100000000001	476.0	NA	Approved
DB09205	Moxisylyte	C04AX10,G04BE06	-32.239000000000004	-26.536	-32.239000000000004	1328.0	Other	Approved
DB09209	Pholcodine	R05DA08	-44.574	-28.455	-44.574	538.0	Other	Approved
DB09210	Piracetam	N06BX03	-18.674	-16.147000000000002	-18.674	1943.0	Other	Approved
DB09212	Loxoprofen	NA	-34.243	-36.75	-36.75	1040.0	NA	Approved
DB09213	Dexibuprofen	M01AE14	-27.267	-36.6	-36.6	1055.0	Other	Approved
DB09214	Dexketoprofen	M02AA27,N02AJ14,M01AE17	-40.222	-36.669	-40.222	807.0	Other	Approved
DB09216	Tolfenamic-acid	M01AG02	-37.401	-35.013000000000005	-37.401	987.0	Other	Approved
DB09219	Bisoxatin	A06AB09	-23.016	-36.07	-36.07	1097.0	Other	Approved
DB09220	Nicorandil	C01DX16	-19.5	-22.202	-22.202	1829.0	Other	Approved
DB09225	Zotepine	N05AX11	-38.335	-36.685	-38.335	921.0	Other	Approved
DB09236	Lacidipine	C08CA09	-42.13	-41.325	-42.13	677.0	Other	Approved
DB09237	Levamlodipine	NA	-44.615	-41.872	-44.615	536.0	NA	Approved
DB09238	Manidipine	C08CA11,C09BB12	-42.927	-59.984	-59.984	20.0	Other	Approved
DB09242	Moxonidine	C02AC05,C02LC05	-41.045	-41.669	-41.669	710.0	Other	Approved
DB09256	Tegafur	L01BC03,L01BC53	-19.518	-26.051	-26.051	1670.0	Other	Approved
DB09257	Gimeracil	NA	-13.799	-20.419	-20.419	1892.0	NA	Approved
DB09268	Picosulfuric-acid	A06AB08,A06AB58	-49.411	-42.75100000000001	-49.411	273.0	Other	Approved
DB09269	Phenylacetic-acid	NA	-22.048	-26.788	-26.788	1633.0	NA	Approved
DB09272	Eluxadoline	A07DA06	-59.479	-61.272	-61.272	17.0	Other	Approved
DB09274	Artesunate	P01BE03,P01BF02,P01BF03,P01BF06,P01BF04	-45.596	-45.32100000000001	-45.596	467.0	Other	Approved
DB09280	Lumacaftor	R07AX30	-50.462	-47.651	-50.462	226.0	Other	Approved
DB09282	Molsidomine	C01DX12	-24.899	-25.541	-25.541	1693.0	Other	Approved
DB09291	Rolapitant	A04AD14	-48.929	-50.665	-50.665	219.0	Other	Approved
DB09292	Sacubitril	C09DX04	-54.75899999999999	-51.476000000000006	-54.75899999999999	95.0	Other	Approved
DB09299	Tenofovir-alafenamide	J05AR19,J05AR20,J05AR17,J05AF13,J05AR22,J05AR18	-43.142	-43.813	-43.813	576.0	Antivirals	Approved
DB09300	Butylscopolamine	A03DB04,A03BB01	-40.58	-38.094	-40.58	780.0	Other	Approved
DB09319	Carindacillin	J01CR50,J01CA05	-52.582	-52.342	-52.582	143.0	Antiinfectives	Approved
DB09324	Sulbactam	J01CG01	-21.602	-22.46	-22.46	1819.0	Antiinfectives	Approved
DB09330	Osimertinib	L01XE35	-47.322	-41.2	-47.322	367.0	Other	Approved
DB09333	Iopodic-acid	V08AC08,V08AC10	-34.65	-33.196	-34.65	1191.0	Other	Approved
DB09335	Alatrofloxacin	J01MA13	-57.81	-51.128	-57.81	42.0	Antiinfectives	Approved
DB09340	Tyropanoic-acid	V08AC09	-43.425	-29.439	-43.425	602.0	Other	Approved
DB09342	Propoxycaine	NA	-26.178	-36.256	-36.256	1085.0	NA	Approved
DB09343	Tipiracil	NA	-25.663	-29.3	-29.3	1505.0	NA	Approved
DB09345	Pramocaine	D04AB07,C05AD07	-31.514	-36.017	-36.017	1100.0	Other	Approved
DB09346	Metrizoic-acid	V08AA02	-28.641	-23.728	-28.641	1542.0	Other	Approved
DB09350	Piperonyl-butoxide	NA	-32.154	-35.392	-35.392	1134.0	NA	Approved
DB09351	Levobetaxolol	NA	-33.625	-30.793000000000006	-33.625	1255.0	NA	Approved
DB09352	Hydroxyamphetamine	NA	-20.733	-22.82	-22.82	1806.0	NA	Approved
DB09355	Sulfabenzamide	NA	-25.534	-28.913	-28.913	1528.0	NA	Approved
DB09357	Dexpanthenol	D03AX03,S01XA12,A11HA30	-22.268	-20.08	-22.268	1827.0	Other	Approved
DB09366	Propyliodone	V08AD03	-18.196	-21.529	-21.529	1862.0	Other	Approved
DB09371	Norethynodrel	G03FA09	-28.678	-33.297	-33.297	1274.0	Other	Approved
DB09376	Lapyrium	NA	-39.646	-43.737	-43.737	579.0	NA	Approved
DB09378	Fluprednisolone	NA	-39.846	-28.803	-39.846	827.0	NA	Approved
DB09383	Meprednisone	H02AB15	-31.115	-30.342	-31.115	1399.0	Other	Approved
DB09389	Norgestrel	G03FA10,G03FB01,G03AA06	-30.382	-31.477	-31.477	1377.0	Other	Approved
DB09401	Isosorbide	NA	-14.684	-13.952	-14.684	2011.0	NA	Approved
DB09403	Iocetamic-acid	V08AC07	-37.15	-31.729	-37.15	1004.0	Other	Approved
DB09419	Xylose	NA	-15.079	-17.333	-17.333	1975.0	NA	Approved
DB09421	Protirelin	V04CJ02	-40.702	-41.682	-41.682	708.0	Other	Approved
DB09477	Enalaprilat	NA	-43.303	-41.479	-43.303	604.0	NA	Approved
DB09480	Iofetamine-I-123	V09AB01	-24.056	-26.33	-26.33	1655.0	Other	Approved
DB09488	Acrivastine	R06AX18	-46.804	-51.153	-51.153	194.0	Other	Approved
DB09494	Cetyl-alcohol	NA	-35.175	-36.784	-36.784	1038.0	NA	Approved
DB09495	Avobenzone	NA	-34.693000000000005	-39.631	-39.631	847.0	NA	Approved
DB09496	Octinoxate	D02BA02	-33.3	-33.993	-33.993	1232.0	Other	Approved
DB09502	Fludeoxyglucose-(18F)	V09IX04	-16.023	-21.559	-21.559	1859.0	Other	Approved
DB09516	Mequinol	D11AX06	-7.522	-12.87	-12.87	2017.0	Other	Approved
DB09526	Hydroquinone	D11AX11	-11.986	-16.023	-16.023	2000.0	Other	Approved
DB09534	Ecamsule	NA	-45.381	-43.048	-45.381	485.0	NA	Approved
DB09543	Methyl-salicylate	NA	-21.035	-20.527	-21.035	1875.0	NA	Approved
DB09552	Thonzonium	NA	-49.408	-52.442	-52.442	147.0	NA	Approved
DB09563	Choline-C-11	NA	-15.851	-15.8	-15.851	2005.0	NA	Approved
DB09571	Levmetamfetamine	NA	-20.418	-22.841	-22.841	1804.0	NA	Approved
DB11071	Phenyl-salicylate	G04BX12	-29.788	-28.946	-29.788	1481.0	Other	Approved
DB11073	Cetylpyridinium	D08AJ03,B05CA01,R02AA06,D09AA07	-42.787	-40.175	-42.787	632.0	Other	Approved
DB11085	Resorcinol	D10AX02,S01AX06	-14.874	-15.827	-15.827	2006.0	Other	Approved
DB11089	Docusate	NA	-50.139	-46.89100000000001	-50.139	238.0	NA	Approved
DB11096	Meradimate	NA	-34.327	-32.035	-34.327	1219.0	NA	Approved
DB11100	Allantoin	NA	-12.356	-16.812	-16.812	1986.0	NA	Approved
DB11102	N-acetyltyrosine	NA	-29.16	-31.747	-31.747	1359.0	NA	Approved
DB11115	Ensulizole	NA	-35.92	-32.454	-35.92	1108.0	NA	Approved
DB11117	Undecylenic-acid	D01AE04,D01AE54	-33.28	-33.231	-33.28	1275.0	Other	Approved
DB11121	Chloroxylenol	D08AE05	-17.796	-20.183	-20.183	1904.0	Other	Approved
DB11125	Benzethonium	R02AA09,D08AJ58,D08AJ08	-40.563	-46.572	-46.572	405.0	Other	Approved
DB11145	Oxyquinoline	R02AA14,A01AB07,D08AH03,G01AC30	-15.867	-15.702	-15.867	2003.0	Other	Approved
DB11148	Butamben	NA	-22.002	-26.909	-26.909	1625.0	NA	Approved
DB11155	Triclocarban	NA	-34.962	-30.661	-34.962	1160.0	NA	Approved
DB11156	Pyrantel	P02CC01	-19.328	-24.371	-24.371	1738.0	Other	Approved
DB11157	Anthralin	D05AC01,D05AC51	-15.91	-27.127	-27.127	1616.0	Other	Approved
DB11160	Phenyltoloxamine	NA	-35.405	-32.974000000000004	-35.405	1133.0	NA	Approved
DB11164	Bicisate	NA	-29.888	-29.083	-29.888	1475.0	NA	Approved
DB11176	Zeaxanthin	NA	-41.794	-40.225	-41.794	700.0	NA	Approved
DB11180	Tetrofosmin	NA	-34.646	-40.11	-40.11	812.0	NA	Approved
DB11181	Homatropine	S01FA05	-27.111	-35.219	-35.219	1145.0	Other	Approved
DB11184	Oftasceine	NA	-52.664	-52.597	-52.664	139.0	NA	Approved
DB11185	Sulisobenzone	NA	-34.028	-35.881	-35.881	1110.0	NA	Approved
DB11186	Pentoxyverine	R05DB05	-31.412	-39.843	-39.843	829.0	Other	Approved
DB11190	Pantethine	A11HA32	-45.387	-42.7	-45.387	483.0	Other	Approved
DB11201	Menthyl-salicylate	NA	-34.075	-34.668	-34.668	1186.0	NA	Approved
DB11206	Bemotrizinol	NA	-58.547	-34.271	-58.547	33.0	NA	Approved
DB11207	Amiloxate	NA	-31.882	-30.503	-31.882	1345.0	NA	Approved
DB11217	Arbutin	NA	-27.934	-22.897	-27.934	1574.0	NA	Approved
DB11219	Enzacamene	NA	-29.414	-29.611	-29.611	1496.0	NA	Approved
DB11221	Dioxybenzone	NA	-29.62	-28.563	-29.62	1495.0	NA	Approved
DB11226	Ethylhexyl-methoxycrylene	NA	-48.659	-45.565	-48.659	309.0	NA	Approved
DB11231	Lycopene	NA	-1.534	-51.966	-51.966	165.0	NA	Approved
DB11235	Thonzylamine	D04AA01,R06AC06,R01AC06	-30.82	-31.026	-31.026	1409.0	Other	Approved
DB11254	Hexylresorcinol	R02AA12	-26.831	-22.827	-26.831	1629.0	Other	Approved
DB11256	Levomefolic-acid	NA	-59.874	-37.233	-59.874	21.0	NA	Approved
DB11260	Diacetyl-benzoyl-lathyrol	NA	-41.489	-41.919	-41.919	688.0	NA	Approved
DB11262	Bisoctrizole	NA	-54.052	-63.362	-63.362	10.0	NA	Approved
DB11263	Polydatin	NA	-41.913	-32.354	-41.913	689.0	NA	Approved
DB11268	Protocatechualdehyde	NA	-14.673	-20.366	-20.366	1895.0	NA	Approved
DB11269	Diethylamino-hydroxybenzoyl-hexyl-benzoate	NA	-52.56399999999999	-46.995	-52.56399999999999	144.0	NA	Approved
DB11272	Methyl-undecenoyl-leucinate	NA	-38.189	-39.69	-39.69	842.0	NA	Approved
DB11273	Dihydroergocornine	NA	-47.173	-46.407	-47.173	373.0	NA	Approved
DB11274	Dihydro-alpha-ergocryptine	NA	-50.006	-49.659	-50.006	244.0	NA	Approved
DB11275	Epicriptine	NA	-49.234	-47.505	-49.234	277.0	NA	Approved
DB11278	DL-Methylephedrine	NA	-21.638	-22.442	-22.442	1820.0	NA	Approved
DB11279	Brilliant-green	NA	-46.96	-46.672	-46.96	387.0	NA	Approved
DB11282	Diethyltoluamide	P03BX01	-24.99	-23.748	-24.99	1715.0	Other	Approved
DB11283	DL-dimyristoylphosphatidylcholine	NA	-56.81399999999999	-56.878	-56.878	54.0	NA	Approved
DB11284	DL-dimyristoylphosphatidylglycerol	NA	-49.273	-57.609	-57.609	45.0	NA	Approved
DB11285	Ethyl-ferulate	NA	-20.027	-27.2	-27.2	1611.0	NA	Approved
DB11299	Vanillyl-butyl-ether	NA	-18.663	-24.603	-24.603	1728.0	NA	Approved
DB11304	Phenoxyethanol	NA	-13.91	-14.505999999999998	-14.505999999999998	2013.0	NA	Approved
DB11315	Methscopolamine	A03CB01,S01FA03,A03BB03	-38.824	-37.375	-38.824	893.0	Other	Approved
DB11323	Glycol-salicylate	NA	-18.663	-22.601	-22.601	1816.0	NA	Approved
DB11327	Dipyrithione	NA	-26.237	-22.402	-26.237	1661.0	NA	Approved
DB11328	Tetradecyl-hydrogen-sulfate-(ester)	NA	-37.796	-38.515	-38.515	910.0	NA	Approved
DB11331	1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol))	NA	-54.31	-56.786	-56.786	58.0	NA	Approved
DB11336	Kinetin	NA	-30.194000000000006	-29.25	-30.194000000000006	1458.0	NA	Approved
DB11359	Guaiacol	NA	-16.067	-13.503	-16.067	1999.0	NA	Approved
DB11362	Selexipag	B01AC27	-51.028	-44.808	-51.028	202.0	Other	Approved
DB11363	Alectinib	L01XE36	-54.1	-47.57100000000001	-54.1	105.0	Other	Approved
DB11386	Chlorobutanol	A04AD54,A04AD04	-17.125	-11.992	-17.125	1980.0	Other	Approved
DB11431	Moxidectin	NA	-51.907	-50.319	-51.907	169.0	NA	Approved
DB11496	2-mercaptobenzothiazole	NA	-21.171	-15.609000000000002	-21.171	1871.0	NA	Approved
DB11560	Lesinurad	M04AB05	-43.088	-39.04	-43.088	612.0	Other	Approved
DB11570	Padimate-O	NA	-32.985	-34.855	-34.855	1167.0	NA	Approved
DB11577	Indigotindisulfonic-acid	V04CH02	-35.691	-33.021	-35.691	1120.0	Other	Approved
DB11583	Cetalkonium	NA	-45.603	-40.957	-45.603	464.0	NA	Approved
DB11584	Pipradrol	N06BX15	-31.536	-30.395	-31.536	1374.0	Other	Approved
DB11586	Asunaprevir	J05AP06	-55.362	-59.104	-59.104	26.0	Protease-Inhibitors	Approved
DB11587	Etafedrine	NA	-22.59	-26.453000000000007	-26.453000000000007	1649.0	NA	Approved
DB11591	Bilastine	R06AX29	-45.348	-57.381	-57.381	49.0	Other	Approved
DB11594	Domiphen	A01AB06	-41.32899999999999	-34.416	-41.32899999999999	728.0	Other	Approved
DB11596	Levoleucovorin	V03AF10,V03AF04	-48.852	-37.365	-48.852	297.0	Other	Approved
DB11609	Normethadone	R05DA06	-35.308	-32.068000000000005	-35.308	1140.0	Other	Approved
DB11610	Oxilofrine	NA	-15.236	-21.152	-21.152	1872.0	NA	Approved
DB11611	Lifitegrast	S01XA25	-46.96	-57.497	-57.497	46.0	Other	Approved
DB11614	Rupatadine	R06AX28	-42.135	-42.334	-42.334	660.0	Other	Approved
DB11619	Gestrinone	G03XA02	-33.664	-31.846	-33.664	1249.0	Other	Approved
DB11622	Dehydrocholic-acid	NA	-42.407	-39.182	-42.407	653.0	NA	Approved
DB11629	Laropiprant	C10AD52	-41.777	-42.481	-42.481	649.0	Other	Approved
DB11630	Temoporfin	L01XD05	-58.937	-55.274	-58.937	29.0	Other	Approved
DB11632	Opicapone	N04BX04	-33.353	-24.606	-33.353	1270.0	Other	Approved
DB11633	Isavuconazole	J02AC05	-43.43	-48.409	-48.409	324.0	Antiinfectives	Approved
DB11636	Nomegestrol	G03AA14,G03FB12,G03DB04	-34.193000000000005	-36.589	-36.589	1057.0	Other	Approved
DB11637	Delamanid	J04AK06	-47.462	-24.497	-47.462	362.0	Antiinfectives	Approved
DB11640	Amifampridine	N07XX05	-20.64	-19.663	-20.64	1887.0	Other	Approved
DB11642	Pitolisant	N07XX11	-33.525	-34.9	-34.9	1163.0	Other	Approved
DB11644	Tafamidis	N07XX08	-25.436	-34.712	-34.712	1178.0	Other	Approved
DB11660	Latanoprostene-bunod	NA	-47.722	-44.379	-47.722	354.0	NA	Approved
DB11672	Curcumin	NA	-40.298	-32.857	-40.298	802.0	NA	Approved
DB11691	Naldemedine	A06AH05	-48.903	-51.08600000000001	-51.08600000000001	196.0	Other	Approved
DB11699	Tropisetron	A04AA03	-36.13800000000001	-38.361	-38.361	918.0	Other	Approved
DB11712	Tezacaftor	R07AX31	-40.81800000000001	-43.218	-43.218	608.0	Other	Approved
DB11718	Encorafenib	L01XE46	-43.347	-43.999	-43.999	568.0	Other	Approved
DB11730	Ribociclib	L01XE42	-43.57100000000001	-46.13800000000001	-46.13800000000001	425.0	Other	Approved
DB11732	Lasmiditan	NA	-51.115	-46.598	-51.115	195.0	NA	Approved
DB11735	Galactose	V08DA02,V04CE01	-16.618	-17.812	-17.812	1960.0	Other	Approved
DB11738	Rilmenidine	C02AC06	-22.176	-21.717	-22.176	1830.0	Other	Approved
DB11742	Ebastine	R06AX22	-39.977	-52.633	-52.633	142.0	Other	Approved
DB11748	Benfotiamine	A11DA03	-49.21100000000001	-52.026	-52.026	163.0	Other	Approved
DB11750	Clobetasol	D07AD01,D07CD01	-36.56	-33.729	-36.56	1061.0	Other	Approved
DB11753	Rifamycin	S01AA16,S02AA12,J04AB03	-56.477	-40.232	-56.477	62.0	Antiinfectives	Approved
DB11757	Istradefylline	NA	-38.928	-27.442	-38.928	883.0	NA	Approved
DB11760	Talazoparib	L01XX60	-36.848	-34.617	-36.848	1029.0	Other	Approved
DB11768	Zytron	NA	-28.126	-30.868	-30.868	1421.0	NA	Approved
DB11791	Capmatinib	NA	-43.518	-39.109	-43.518	595.0	NA	Approved
DB11793	Niraparib	L01XX54	-42.109	-41.299	-42.109	678.0	Other	Approved
DB11799	Bictegravir	J05AR20	-45.258	-45.68600000000001	-45.68600000000001	459.0	Antivirals	Approved
DB11815	Tilarginine	NA	-26.614	-29.664	-29.664	1493.0	NA	Approved
DB11817	Baricitinib	L04AA37	-45.082	-41.948	-45.082	508.0	Other	Approved
DB11823	Esketamine	N01AX14	-24.309	-26.515	-26.515	1643.0	Other	Approved
DB11827	Ertugliflozin	A10BD23,A10BK04,A10BD24	-41.909	-41.187	-41.909	690.0	Other	Approved
DB11828	Neratinib	L01XE45	-48.363	-52.734	-52.734	136.0	Other	Approved
DB11855	Revefenacin	NA	-43.493	-56.102	-56.102	69.0	NA	Approved
DB11859	Brexanolone	NA	-37.741	-26.169	-37.741	970.0	NA	Approved
DB11901	Apalutamide	L02BB05	-51.87600000000001	-53.029	-53.029	131.0	Other	Approved
DB11915	Valbenazine	N07XX13	-47.048	-42.51	-47.048	383.0	Other	Approved
DB11921	Deflazacort	H02AB13	-40.581	-37.169	-40.581	779.0	Other	Approved
DB11942	Selinexor	NA	-40.944	-44.182	-44.182	560.0	NA	Approved
DB11943	Delafloxacin	J01MA23	-44.416	-34.144	-44.416	546.0	Antiinfectives	Approved
DB11951	Lemborexant	NA	-44.305	-41.827	-44.305	552.0	NA	Approved
DB11952	Duvelisib	NA	-42.823	-40.474	-42.823	627.0	NA	Approved
DB11963	Dacomitinib	L01XE47	-47.624	-49.897	-49.897	248.0	Other	Approved
DB11967	Binimetinib	L01XE41	-37.527	-41.166	-41.166	739.0	Other	Approved
DB11978	Glasdegib	NA	-43.662	-48.524	-48.524	317.0	NA	Approved
DB11979	Elagolix	NA	-61.135	-54.12300000000001	-61.135	18.0	NA	Approved
DB11986	Entrectinib	NA	-53.111	-45.935	-53.111	130.0	NA	Approved
DB11989	Benznidazole	P01CA02	-25.045	-26.507	-26.507	1646.0	Other	Approved
DB11994	Diacerein	M01AX21	-41.004	-42.76	-42.76	633.0	Other	Approved
DB11995	Avatrombopag	B02BX08,C05AD06	-47.941	-47.927	-47.941	341.0	Other	Approved
DB12001	Abemaciclib	L01XE50	-58.04600000000001	-56.775	-58.04600000000001	40.0	Other	Approved
DB12010	Fostamatinib	B02BX09	-52.31399999999999	-43.843	-52.31399999999999	152.0	Other	Approved
DB12015	Alpelisib	NA	-44.231	-36.151	-44.231	557.0	NA	Approved
DB12020	Tecovirimat	NA	-40.275	-36.715	-40.275	803.0	NA	Approved
DB12035	Sarecycline	J01AA20	-47.82	-48.691	-48.691	307.0	Antiinfectives	Approved
DB12070	Letermovir	J05AX18	-55.129	-46.08	-55.129	87.0	Antivirals	Approved
DB12095	Telotristat-ethyl	NA	-44.422	-47.301	-47.301	368.0	NA	Approved
DB12097	Mannitol-busulfan	NA	-22.966	-26.424	-26.424	1653.0	NA	Approved
DB12127	Sultamicillin	J01CR50,J01CR04	-43.913	-48.697	-48.697	305.0	Antiinfectives	Approved
DB12130	Lorlatinib	L01XE44	-37.033	-32.74	-37.033	1018.0	Other	Approved
DB12141	Gilteritinib	NA	-56.437	-53.183	-56.437	63.0	NA	Approved
DB12147	Erdafitinib	NA	-41.445	-43.851000000000006	-43.851000000000006	571.0	NA	Approved
DB12153	Citicoline	N06BX06	-31.751	-44.898	-44.898	520.0	Other	Approved
DB12161	Deutetrabenazine	NA	-40.454	-31.198	-40.454	792.0	NA	Approved
DB12243	Edaravone	N07XX14	-21.585	-12.502	-21.585	1858.0	Other	Approved
DB12245	Triclabendazole	P02BX04	-34.641	-38.093	-38.093	942.0	Other	Approved
DB12267	Brigatinib	L01XE43	-54.727	-39.772	-54.727	96.0	Other	Approved
DB12278	Propiverine	G04BD06	-43.237	-41.24100000000001	-43.237	607.0	Other	Approved
DB12293	Nefopam	N02BG06	-29.631	-31.569000000000006	-31.569000000000006	1373.0	Other	Approved
DB12300	P-nitrobiphenyl	NA	-17.094	-23.211	-23.211	1784.0	NA	Approved
DB12301	Doravirine	J05AR24,J05AG06	-23.352	-32.574	-32.574	1304.0	Antivirals	Approved
DB12313	Dopexamine	C01CA14	-49.966	-39.534	-49.966	245.0	Other	Approved
DB12328	Cantharidin	NA	-13.186	-22.697	-22.697	1812.0	NA	Approved
DB12329	Eravacycline	J01AA13,J01AA20	-50.81100000000001	-46.179	-50.81100000000001	213.0	Antiinfectives	Approved
DB12332	Rucaparib	L01XX55	-38.527	-40.255	-40.255	805.0	Other	Approved
DB12343	Temocillin	J01CR50,J01CA17	-48.07	-46.512	-48.07	336.0	Antiinfectives	Approved
DB12362	Diaminopropanol-tetraacetic-acid	NA	-35.874	-38.994	-38.994	881.0	NA	Approved
DB12364	Betrixaban	B01AF04	-48.727	-39.775	-48.727	304.0	Other	Approved
DB12371	Siponimod	NA	-55.308	-48.601000000000006	-55.308	81.0	NA	Approved
DB12377	Relebactam	NA	-41.33	-39.99800000000001	-41.33	727.0	NA	Approved
DB12401	Bromperidol	N05AD06	-40.026	-40.744	-40.744	767.0	Other	Approved
DB12434	Steviolbioside	NA	-50.32899999999999	-49.092	-50.32899999999999	234.0	NA	Approved
DB12455	Omadacycline	J01AA20	-54.017	-51.995	-54.017	107.0	Antiinfectives	Approved
DB12473	Taurolidine	B05CA05	-9.971	-24.543000000000006	-24.543000000000006	1731.0	Other	Approved
DB12474	Lynestrenol	G03AB02,G03AA03,G03DC03,G03FA07,G03FB02,G03AC02	-23.573	-25.128	-25.128	1705.0	Other	Approved
DB12483	Copanlisib	L01XX61	-50.352	-44.073	-50.352	233.0	Other	Approved
DB12492	Piritramide	N02AC03	-51.698	-47.372	-51.698	176.0	Other	Approved
DB12500	Fedratinib	NA	-56.403	-37.104	-56.403	65.0	NA	Approved
DB12523	Mizolastine	R06AX25	-50.264	-39.809	-50.264	235.0	Other	Approved
DB12532	Oxetacaine	A11HA07	-48.413	-44.331	-48.413	323.0	Other	Approved
DB12537	Benzodiazepine	NA	-20.354	-20.533	-20.533	1888.0	NA	Approved
DB12554	Mebeverine	A03AA04	-44.256	-42.139	-44.256	555.0	Other	Approved
DB12615	Plazomicin	NA	-55.566	-55.574	-55.574	76.0	NA	Approved
DB12667	Protionamide	J04AD01	-25.542	-23.686	-25.542	1692.0	Antiinfectives	Approved
DB12710	Perazine	N05AB10	-42.348	-38.742	-42.348	658.0	Other	Approved
DB12728	Fenpropidin	NA	-31.903	-34.596	-34.596	1193.0	NA	Approved
DB12767	Gaxilose	NA	-27.744	-26.379	-27.744	1581.0	NA	Approved
DB12783	Benserazide	NA	-33.729	-25.394	-33.729	1245.0	NA	Approved
DB12789	Dinoprost	G02AD01	-44.702	-45.734	-45.734	454.0	Other	Approved
DB12792	Boscalid	NA	-38.642	-40.695	-40.695	772.0	NA	Approved
DB12808	Trifarotene	D10AD06	-45.127	-45.99	-45.99	438.0	Other	Approved
DB12825	Lefamulin	NA	-49.17100000000001	-43.692	-49.17100000000001	281.0	NA	Approved
DB12834	Secnidazole	P01AB07,J01RA07	-15.562	-22.611	-22.611	1815.0	Antiinfectives	Approved
DB12839	Pegvaliase	NA	-43.03	-37.631	-43.03	618.0	NA	Approved
DB12867	Benperidol	N05AD07	-28.488000000000003	-37.011	-37.011	1022.0	Other	Approved
DB12911	Nicoboxil	NA	-28.275	-30.789	-30.789	1424.0	NA	Approved
DB12924	Ozenoxacin	D06AX14	-44.683	-43.87	-44.683	533.0	Other	Approved
DB12938	Isoxaflutole	NA	-31.163	-30.877	-31.163	1393.0	NA	Approved
DB12941	Darolutamide	NA	-40.658	-40.715	-40.715	770.0	NA	Approved
DB12945	Dihydralazine	C02LG01,C02LG51,C02DB01	-16.021	-19.34	-19.34	1927.0	Other	Approved
DB12952	Methylprednisone	NA	-36.106	-33.091	-36.106	1094.0	NA	Approved
DB12954	Terizidone	J04AK03	-25.425	-34.386	-34.386	1213.0	Antiinfectives	Approved
DB12978	Pexidartinib	NA	-46.612	-46.067	-46.612	400.0	NA	Approved
DB13063	Parthenolide	NA	-21.447	-26.308000000000003	-26.308000000000003	1656.0	NA	Approved
DB13074	Macimorelin	V04CD06	-53.18600000000001	-53.237	-53.237	127.0	Other	Approved
DB13100	Biguanide	NA	-10.714	-12.304	-12.304	2019.0	NA	Approved
DB13114	Amitriptylinoxide	NA	-36.286	-36.047	-36.286	1083.0	NA	Approved
DB13116	Norflurane	NA	-10.068	-12.249	-12.249	2020.0	NA	Approved
DB13117	Pentafluoropropane	NA	-0.241	-14.914	-14.914	2010.0	NA	Approved
DB13125	Lusutrombopag	B02BX07	-56.357	-52.31100000000001	-56.357	66.0	Other	Approved
DB13136	Fluindione	B01AA12	-27.405	-28.032	-28.032	1572.0	Other	Approved
DB13139	Levosalbutamol	NA	-29.748	-29.246	-29.748	1482.0	NA	Approved
DB13146	Fluciclovine-(18F)	V09IX12	-15.783	-17.177	-17.177	1979.0	Other	Approved
DB13153	Levomenol	NA	-28.247	-28.838	-28.838	1533.0	NA	Approved
DB13154	Parachlorophenol	NA	-16.891	-17.495	-17.495	1969.0	NA	Approved
DB13155	Esculin	NA	-37.39	-28.165	-37.39	988.0	NA	Approved
DB13158	Clobetasone	D07AB01,S01CA11,S01BA09	-34.695	-34.047	-34.695	1181.0	Other	Approved
DB13166	Zofenopril	C09BA15,C09AA15	-49.219	-48.334	-49.219	279.0	Other	Approved
DB13167	Alclofenac	M01AB06	-23.519	-29.706	-29.706	1487.0	Other	Approved
DB13178	Inositol	R02AA03	-14.36	-16.822	-16.822	1985.0	Other	Approved
DB13180	Gluconic-Acid	NA	-22.419	-21.73	-22.419	1822.0	NA	Approved
DB13211	Guanoxan	C02CC03	-16.601	-17.529	-17.529	1967.0	Other	Approved
DB13213	Butaperazine	N05AB09	-50.737	-40.988	-50.737	216.0	Other	Approved
DB13216	Oxolamine	R05DB07	-25.854	-38.119	-38.119	938.0	Other	Approved
DB13218	Mandelic-acid	B05CA06,J01XX06	-22.88	-25.895	-25.895	1680.0	Antiinfectives	Approved
DB13219	Medifoxamine	N06AX13	-25.664	-24.678	-25.664	1685.0	Other	Approved
DB13221	Apronalide	N05CM12	-28.04	-21.947	-28.04	1571.0	Other	Approved
DB13222	Tilbroquinol	P01AA05	-22.162	-19.811	-22.162	1834.0	Other	Approved
DB13225	Dibenzepin	N06AA08	-18.188	-34.554	-34.554	1198.0	Other	Approved
DB13228	Flosequinan	C01DB01	-10.783	-25.174	-25.174	1703.0	Other	Approved
DB13245	Thiram	P03AA05	-18.254	-24.991	-24.991	1714.0	Other	Approved
DB13246	Quinupramine	N06AA23	-32.233000000000004	-25.093000000000004	-32.233000000000004	1332.0	Other	Approved
DB13247	Pramiracetam	N06BX16	-37.214	-30.814	-37.214	1001.0	Other	Approved
DB13248	Phthalylsulfathiazole	G01AE10,A07AB02	-46.264	-42.462	-46.264	418.0	Other	Approved
DB13253	Proxibarbal	N05CA22	-26.946	-17.559	-26.946	1623.0	Other	Approved
DB13256	Clothiapine	N05AH06	-42.19	-35.6	-42.19	670.0	Other	Approved
DB13258	Etofamide	P01AC03	-40.087	-35.144	-40.087	814.0	Other	Approved
DB13262	Aceclidine	S01EB58,S01EB08	-20.373	-23.07	-23.07	1793.0	Other	Approved
DB13265	Hexobendine	C01DX06	-34.64	-56.782	-56.782	59.0	Other	Approved
DB13267	Ritiometan	R01AX05	-19.025	-43.705	-43.705	582.0	Other	Approved
DB13269	Dichlorobenzyl-alcohol	D06BB09	-18.844	-20.898000000000003	-20.898000000000003	1878.0	Other	Approved
DB13270	Dibekacin	J01GB09	-38.265	-47.167	-47.167	374.0	Antiinfectives	Approved
DB13273	Sultopride	N05AL02	-26.675	-39.817	-39.817	832.0	Other	Approved
DB13274	Micronomicin	S01AA22	-38.912	-45.44300000000001	-45.44300000000001	478.0	Other	Approved
DB13277	Benziodarone	C01DX54,C01DX04	-35.73	-35.058	-35.73	1118.0	Other	Approved
DB13278	Bucetin	N02BE04,N02BE74,N02BE54	-22.138	-15.885	-22.138	1835.0	Other	Approved
DB13279	Carbocromen	C01DX05	-38.179	-41.087	-41.087	741.0	Other	Approved
DB13282	Benzododecinium	D09AA05	-39.811	-35.835	-39.811	833.0	Other	Approved
DB13284	Meticrane	G01AE10,C03BA09	-24.258000000000006	-26.588	-26.588	1640.0	Other	Approved
DB13286	Bumadizone	M01AB07	-49.081	-41.695	-49.081	288.0	Other	Approved
DB13288	Tromantadine	J05AC03,D06BB02	-29.972	-30.876	-30.876	1420.0	Antivirals	Approved
DB13292	Pimethixene	R06AX23	-31.569000000000006	-34.704	-34.704	1179.0	Other	Approved
DB13306	Chlorquinaldol	P01AA04,R02AA11,G01AC03,D08AH02	-22.996	-15.191	-22.996	1798.0	Other	Approved
DB13337	Pheneticillin	J01CR50,J01CE05	-45.566	-30.386	-45.566	471.0	Antiinfectives	Approved
DB13345	Dihydroergocristine	C04AE54,C04AE04	-53.772	-51.593	-53.772	117.0	Other	Approved
DB13346	Bufexamac	M01AB17,M02AA09	-23.362	-27.571	-27.571	1589.0	Other	Approved
DB13421	Edoxudine	V08AA05	-29.966	-28.166	-29.966	1470.0	Other	Approved
DB13444	Ioxitalamic-acid	R03DA20	-32.419000000000004	-28.115	-32.419000000000004	1316.0	Other	Approved
DB13501	Bendazac	M02AA11,S01BC07	-31.57	-25.116	-31.57	1372.0	Other	Approved
DB13520	Metergoline	G02CB05	-48.778	-44.514	-48.778	302.0	Other	Approved
DB13532	Cyclopenthiazide	C03AB07,G01AE10,C03EA07,C03AA07	-37.72	-37.811	-37.811	967.0	Other	Approved
DB13583	Mephenesin	M03BX06	-14.084	-24.206	-24.206	1746.0	Other	Approved
DB13624	Methoxyphenamine	R03CB02	-23.791	-26.026	-26.026	1672.0	Other	Approved
DB13628	Ethyl-hydroxybenzoate	D01AE10	-16.801	-21.509	-21.509	1863.0	Other	Approved
DB13657	Benorilate	N02BA10	-25.062	-39.75	-39.75	838.0	Other	Approved
DB13680	Naftazone	C05CX02	-21.425	-21.463	-21.463	1865.0	Other	Approved
DB13682	Cefpirome	J01DE02	-52.746	-53.557	-53.557	122.0	Antiinfectives	Approved
DB13711	Tritoqualine	R06AX21	-44.162	-43.744	-44.162	562.0	Other	Approved
DB13720	Diphemanil	A03CA08,A03AB15	-35.925	-36.311	-36.311	1082.0	Other	Approved
DB13747	Trolamine	D03AX12	-12.345999999999998	-11.999	-12.345999999999998	2018.0	Other	Approved
DB13766	Lidoflazine	C08EX01	-46.238	-42.12600000000001	-46.238	419.0	Other	Approved
DB13781	Xamoterol	C01CX07	-25.595	-31.909	-31.909	1344.0	Other	Approved
DB13783	Acemetacin	M01AB11	-46.199	-44.00100000000001	-46.199	422.0	Other	Approved
DB13801	Muzolimine	C03CD01	-24.727	-32.364000000000004	-32.364000000000004	1319.0	Other	Approved
DB13838	Noxytiolin	B05CA07	-11.356	-17.373	-17.373	1973.0	Other	Approved
DB13848	Fluorodopa-(18F)	V09IX05	-30.963	-26.834	-30.963	1414.0	Other	Approved
DB13851	Artemotil	P01BE04	-23.584	-28.69	-28.69	1539.0	Other	Approved
DB13853	Anethole-trithione	A16AX02	-21.799	-18.28	-21.799	1849.0	Other	Approved
DB13854	Gamolenic-acid	D11AX02,D11AX52	-45.03	-40.374	-45.03	509.0	Other	Approved
DB13858	Dimazole	D01AE17	-22.289	-33.99	-33.99	1234.0	Other	Approved
DB13867	Fluticasone	R03BA05,D07AC17,R03AK11,R03AK06,R01AD58,R01AD08	-38.855	-32.076	-38.855	889.0	Other	Approved
DB13872	Lormetazepam	N05CD06	-35.185	-32.65	-35.185	1146.0	Other	Approved
DB13873	Fenofibric-acid	C10AB11	-36.048	-38.346	-38.346	920.0	Other	Approved
DB13874	Enasidenib	L01XX59	-50.369	-42.867	-50.369	231.0	Other	Approved
DB13882	Methyl-nicotinate	NA	-16.942999999999998	-18.577	-18.577	1944.0	NA	Approved
DB13908	Amylmetacresol	NA	-26.058000000000003	-25.838	-26.058000000000003	1666.0	NA	Approved
DB13931	Netarsudil	S01EX05	-49.221	-44.42	-49.221	278.0	Other	Approved
DB13943	Testosterone-cypionate	NA	-43.708	-37.082	-43.708	581.0	NA	Approved
DB13944	Testosterone-enanthate	NA	-43.26	-40.642	-43.26	605.0	NA	Approved
DB13946	Testosterone-undecanoate	NA	-49.587	-42.599	-49.587	266.0	NA	Approved
DB13947	Testosterone-enantate-benzilic-acid-hydrazone	NA	-63.33600000000001	-56.418	-63.33600000000001	11.0	NA	Approved
DB13952	Estradiol-acetate	NA	-39.746	-31.733	-39.746	839.0	NA	Approved
DB13953	Estradiol-benzoate	NA	-46.429	-36.593	-46.429	412.0	NA	Approved
DB13954	Estradiol-cypionate	NA	-40.028	-42.047	-42.047	683.0	NA	Approved
DB13955	Estradiol-dienanthate	NA	-52.094	-51.802	-52.094	161.0	NA	Approved
DB13956	Estradiol-valerate	NA	-40.07	-38.87	-40.07	815.0	NA	Approved
DB13960	Bronopol	NA	-17.452	-15.187	-17.452	1970.0	NA	Approved
DB13966	Isopropyl-myristate	NA	-34.753	-36.665	-36.665	1049.0	NA	Approved
DB13967	Patent-Blue	NA	-55.62	-54.771	-55.62	74.0	NA	Approved
DB13970	Dioctyldimonium	NA	-1.812	-27.508000000000006	-27.508000000000006	1593.0	NA	Approved
DB13972	Racemethionine	NA	-20.655	-22.839	-22.839	1805.0	NA	Approved
DB13997	Baloxavir-marboxil	NA	-42.163	-38.283	-42.163	672.0	NA	Approved
DB14001	alpha-Tocopherol-succinate	NA	-51.937	-51.893	-51.937	166.0	NA	Approved
DB14002	D-alpha-Tocopherol-acetate	NA	-47.164	-40.626	-47.164	375.0	NA	Approved
DB14007	Pentetic-acid	NA	-42.986	-34.151	-42.986	621.0	NA	Approved
DB14018	Bromotheophylline	R03DA20	-24.176	-23.706	-24.176	1747.0	Other	Approved
DB14019	Fosnetupitant	NA	-45.64	-33.757	-45.64	462.0	NA	Approved
DB14020	Benzoin	NA	-31.03	-31.109	-31.109	1400.0	NA	Approved
DB14033	Acetyl-sulfisoxazole	G01AE10	-18.817	-27.021	-27.021	1619.0	Other	Approved
DB14075	Imidurea	NA	-29.167	-29.114	-29.167	1515.0	NA	Approved
DB14078	Medronic-acid	NA	-5.438	-29.853	-29.853	1477.0	NA	Approved
DB14082	Betiatide	NA	-33.466	-38.626	-38.626	906.0	NA	Approved
DB14083	Bisphenol-A-diglycidyl-ether	NA	-38.554	-39.845	-39.845	828.0	NA	Approved
DB14084	Butylparaben	NA	-17.02	-25.945	-25.945	1676.0	NA	Approved
DB14086	Cianidanol	NA	-29.904	-33.226	-33.226	1280.0	NA	Approved
DB14089	Dimercaptosuccinic-acid	NA	-25.563	-21.06	-25.563	1691.0	NA	Approved
DB14104	Linoleic-acid	NA	-45.269	-45.978	-45.978	439.0	NA	Approved
DB14109	alpha-Arbutin	NA	-27.26	-23.6	-27.26	1606.0	NA	Approved
DB14120	Phenylethyl-resorcinol	NA	-30.255	-26.791	-30.255	1453.0	NA	Approved
DB14141	p-Phenylenediamine	NA	-12.715	-17.375	-17.375	1971.0	NA	Approved
DB14143	Distearyldimonium	NA	-2.239	-38.428	-38.428	915.0	NA	Approved
DB14156	Synthetic-camphor	NA	-19.895	-20.673	-20.673	1884.0	NA	Approved
DB14159	Oxidronic-acid	NA	-16.115	-30.615	-30.615	1432.0	NA	Approved
DB14173	Diazolidinylurea	NA	-21.819000000000006	-24.944000000000006	-24.944000000000006	1716.0	NA	Approved
DB14174	Dipentamethylenethiuram-disulfide	NA	-31.127	-34.694	-34.694	1182.0	NA	Approved
DB14175	alpha-Amyl-cinnamaldehyde	NA	-29.177	-30.37	-30.37	1445.0	NA	Approved
DB14176	Benzylparaben	NA	-22.184	-29.23	-29.23	1512.0	NA	Approved
DB14177	Propylparaben	NA	-17.312	-23.51	-23.51	1772.0	NA	Approved
DB14178	Tetramethylthiuram-monosulfide	NA	-21.439	-25.029	-25.029	1710.0	NA	Approved
DB14183	Geraniol	NA	-22.166	-22.698	-22.698	1811.0	NA	Approved
DB14184	Cinnamaldehyde	NA	-14.994000000000002	-20.939	-20.939	1876.0	NA	Approved
DB14185	Aripiprazole-lauroxil	NA	-62.113	-46.699	-62.113	16.0	NA	Approved
DB14186	Cinnamyl-alcohol	NA	-15.942	-21.311	-21.311	1868.0	NA	Approved
DB14187	Hydroxycitronellal	NA	-22.128	-23.878	-23.878	1755.0	NA	Approved
DB14188	Isoeugenol	NA	-21.075	-15.11	-21.075	1874.0	NA	Approved
DB14191	Diphenylguanidine	NA	-31.089	-30.651	-31.089	1402.0	NA	Approved
DB14195	4-(Isopropylamino)diphenylamine	NA	-25.704	-28.343000000000004	-28.343000000000004	1553.0	NA	Approved
DB14196	N-Cyclohexyl-N'-phenyl-1,4-phenylenediamine	NA	-25.225	-37.41	-37.41	986.0	NA	Approved
DB14197	Methylchloroisothiazolinone	NA	-16.211	-16.372	-16.372	1996.0	NA	Approved
DB14199	Bromothalonil	NA	-0.463	-15.126	-15.126	2009.0	NA	Approved
DB14200	Thiohexam	NA	-31.667	-28.607	-31.667	1367.0	NA	Approved
DB14201	2,2'-Dibenzothiazyl-disulfide	NA	-31.074	-32.457	-32.457	1313.0	NA	Approved
DB14202	Morpholinylmercaptobenzothiazole	NA	-23.902	-23.953000000000007	-23.953000000000007	1753.0	NA	Approved
DB14203	Disperse-Blue-106	NA	-39.08	-29.975	-39.08	875.0	NA	Approved
DB14212	Methylparaben	NA	-13.028	-20.66	-20.66	1886.0	NA	Approved
DB14476	DL-alpha-Tocopherol	NA	-43.548	-39.897	-43.548	593.0	NA	Approved
DB14512	Mometasone-furoate	NA	-47.913	-46.137	-47.913	343.0	NA	Approved
DB14539	Hydrocortisone-acetate	NA	-43.054	-38.223	-43.054	614.0	NA	Approved
DB14541	Hydrocortisone-cypionate	NA	-44.401	-45.806	-45.806	447.0	NA	Approved
DB14542	Hydrocortisone-phosphate	NA	-47.021	-44.302	-47.021	384.0	NA	Approved
DB14543	Hydrocortisone-probutate	D07AB11	-47.69600000000001	-47.272	-47.69600000000001	355.0	Other	Approved
DB14544	Hydrocortisone-valerate	NA	-43.026	-38.277	-43.026	619.0	NA	Approved
DB14545	Hydrocortisone-succinate	NA	-48.206	-46.173	-48.206	330.0	NA	Approved
DB14555	Ursadiol	NA	-37.468	-37.945	-37.945	955.0	NA	Approved
DB14568	Ivosidenib	NA	-43.967	-48.974	-48.974	295.0	NA	Approved
DB14569	Tedizolid	J01XX11	-22.546	-24.996	-24.996	1713.0	Antiinfectives	Approved
DB14575	Eslicarbazepine	N03AF04	-22.514	-29.913	-29.913	1472.0	Other	Approved
DB14583	Segesterone-acetate	NA	-37.843	-31.428	-37.843	964.0	NA	Approved
DB14596	Loteprednol-etabonate	NA	-39.687	-43.64	-43.64	584.0	NA	Approved
DB14627	Oxyphenisatin-acetate	NA	-43.097	-38.494	-43.097	611.0	NA	Approved
DB14631	Prednisolone-phosphate	NA	-48.493	-43.813	-48.493	318.0	NA	Approved
DB14632	Prednisolone-tebutate	NA	-45.155	-40.251	-45.155	502.0	NA	Approved
DB14638	Diloxanide-furoate	NA	-24.543000000000006	-20.562	-24.543000000000006	1732.0	NA	Approved
DB14643	Methylprednisolone-aceponate	D07AC14	-46.643	-45.567	-46.643	398.0	Other	Approved
DB14644	Methylprednisolone-hemisuccinate	NA	-51.59	-43.908	-51.59	178.0	NA	Approved
DB14646	Prednisone-acetate	NA	-37.481	-38.469	-38.469	914.0	NA	Approved
DB14649	Dexamethasone-acetate	NA	-40.243	-36.804	-40.243	806.0	NA	Approved
DB14650	Menadiol-diphosphate	NA	-32.47	-38.886	-38.886	887.0	NA	Approved
DB14655	Drostanolone-propionate	NA	-42.222	-32.97	-42.222	664.0	NA	Approved
DB14656	Chlorphenesin-carbamate	NA	-18.65	-22.716	-22.716	1810.0	NA	Approved
DB14657	Paramethasone-acetate	NA	-45.242	-39.041	-45.242	490.0	NA	Approved
DB14658	Chloramphenicol-palmitate	NA	-51.06800000000001	-48.813	-51.06800000000001	197.0	NA	Approved
DB14669	Betamethasone-phosphate	NA	-48.59	-47.057	-48.59	314.0	NA	Approved
DB14674	Estramustine-phosphate	NA	-54.014	-43.808	-54.014	108.0	NA	Approved
DB14677	Gestonorone-caproate	NA	-44.732	-41.496	-44.732	530.0	NA	Approved
DB14703	Dexamethasone-metasulfobenzoate	NA	-54.19	-50.398	-54.19	104.0	NA	Approved
DB14723	Larotrectinib	NA	-42.096	-42.631	-42.631	642.0	NA	Approved
DB14725	Cefamandole-nafate	NA	-54.294	-48.996	-54.294	102.0	NA	Approved
DB14753	Hydroxystilbamidine	NA	-33.467	-26.585	-33.467	1264.0	NA	Approved
DB14754	Solriamfetol	NA	-24.313	-24.897	-24.897	1717.0	NA	Approved
DB14763	Cycloguanil	P01BB02	-25.179	-21.182	-25.179	1702.0	Other	Approved
DB14783	Diroximel-fumarate	NA	-22.622	-25.46	-25.46	1696.0	NA	Approved
DB14975	Voxelotor	NA	-42.021	-39.305	-42.021	684.0	NA	Approved
DB15035	Zanubrutinib	NA	-53.792	-49.093	-53.792	114.0	NA	Approved
DB15091	Upadacitinib	NA	-42.575	-40.04	-42.575	646.0	NA	Approved
DB15328	Ubrogepant	NA	-45.74800000000001	-45.247	-45.74800000000001	451.0	NA	Approved
DB15444	Elexacaftor	NA	-42.221	-40.982	-42.221	665.0	NA	Approved
DB15465	Benzhydrocodone	NA	-49.154	-40.907	-49.154	285.0	NA	Approved
DB15467	Cinoxate	NA	-29.699	-27.182	-29.699	1488.0	NA	Approved
DB15477	Alloin	NA	-38.514	-38.644	-38.644	905.0	NA	Approved
DB15480	Resorcinol-monoacetate	NA	-15.765999999999998	-19.424	-19.424	1919.0	NA	Approved
DB15534	Colchiceine	NA	-37.286	-30.477	-37.286	997.0	NA	Approved
DB15566	Prednisolone-acetate	NA	-38.167	-38.396	-38.396	917.0	NA	Approved
DB15576	Ethyl-salicylate	NA	-22.778	-22.208	-22.778	1808.0	NA	Approved
DB11574	Elbasvir	J05AP54	-55.304	-51.18	-55.304	82.0	Antivirals	Approved
DB11676	Galidesivir	NA	-34.638000000000005	-30.31	-34.638000000000005	1192.0	Antivirals	Investigational
DB12466	Favipiravir	J05AX27	-15.581	-18.213	-18.213	1953.0	Antivirals	Approved
DB13609	Umifenovir	J05AX13	-43.395	-46.362	-46.362	415.0	Antivirals	Investigational
DB14761	Remdesivir	NA	-57.838	-50.797	-57.838	41.0	Antivirals	Investigational
DB15622	Triazavirin	NA	-20.885	-21.54	-21.54	1860.0	Antivirals	Investigational
DB15623	TMC-310911	NA	-57.353	-51.034	-57.353	50.0	Protease-Inhibitors	Investigational
DB15661	EIDD-2801	NA	-29.822	-32.171	-32.171	1335.0	Antivirals	Investigational
CID122068	desethylamodiaquine	P01BF03,P01BA06	-32.505	-36.793	-36.793	1036.0	Other	Approved/Active-Metabolite
CID3715	indometacin	M01AB11	-44.988	-39.78	-44.988	512.0	Other	Approved/Active-Metabolite
CID71316501	ethionamide-sulphoxide	J04AD03	-17.125999999999998	-32.243	-32.243	1327.0	Antiinfectives	Approved/Active-Metabolite
CID5489029	codeine-6-glucuronide	N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07	-51.268	-44.414	-51.268	185.0	Other	Approved/Active-Metabolite
CID5816	adrenaline	S01EA02	-19.421	-20.907	-20.907	1877.0	Other	Approved/Active-Metabolite
CID129630270	5-fluoro-2-deoxyuridine-monophosphate	L01BC06	-20.075	-18.256	-20.075	1907.0	Other	Approved/Active-Metabolite
CID32176	6-methoxy-2-naphthylacetic-acid	M01AX01	-34.419000000000004	-29.65	-34.419000000000004	1210.0	Other	Approved/Active-Metabolite
CID23725128	GS-461203	J05AP08,J05AP51,J05AP55,J05AP56	-38.378	-51.527	-51.527	180.0	Antivirals	Approved/Active-Metabolite
CID5360697	Dextrorphan	R05DA09,N07XX59	-28.746	-30.501	-30.501	1439.0	Other	Approved/Active-Metabolite
CID1032	propionic-acid	M01AH04	-8.603	-15.859000000000002	-15.859000000000002	2004.0	Other	Approved/Active-Metabolite
CID449381	oseltamivir-carboxylate	J05AH02	-33.983000000000004	-37.88800000000001	-37.88800000000001	960.0	Antivirals	Approved/Active-Metabolite
CID43260	desglymidodrine	C01CA17	-15.85	-23.042	-23.042	1794.0	Other	Approved/Active-Metabolite
CID10405534	R-138727	B01AC22	-37.067	-43.58600000000001	-43.58600000000001	591.0	Other	Approved/Active-Metabolite
CID147525	tazarotenic-acid	D05AX05	-39.386	-41.825	-41.825	696.0	Other	Approved/Active-Metabolite
CID3034048	zofenoprilat	C09BA15,C09AA15	-43.174	-37.591	-43.174	609.0	Other	Approved/Active-Metabolite
CID5755	prednisolone	A07EA03,H02AB07	-33.647	-32.861	-33.647	1252.0	Other	Approved/Active-Metabolite
CID5271809	favipiravir-RTP	J05AX27	-38.548	-54.326	-54.326	101.0	Antivirals	Approved/Active-Metabolite
CID201587	5–aminosalicylic-acid	A07EC04	-15.712	-23.396	-23.396	1780.0	Other	Approved/Active-Metabolite
CID62956	fosinoprilat	C09BA09,C09AA09	-54.909	-52.365	-54.909	91.0	Other	Approved/Active-Metabolite
CID667490	6-mercaptopurine	L04AX01	-19.927	-20.303	-20.303	1899.0	Other	Approved/Active-Metabolite
CID76905	2-ethylisonicotinamide	J04AD03	-16.872	-25.159	-25.159	1704.0	Antiinfectives	Approved/Active-Metabolite
CID5464096	ramiprilat	C09BX03,C10BX04,C09BB07,C10BX06,C09BB05,C09BA05,C09AA05	-45.15600000000001	-47.82100000000001	-47.82100000000001	348.0	Other	Approved/Active-Metabolite
CID5484731	morphine-3-glucuronide	N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07	-48.705	-49.16	-49.16	284.0	Other	Approved/Active-Metabolite
CID76953	5-(3-methyltriazen-1-yl)imidazole-4-carboxamide	L01AX03	-22.854	-21.925	-22.854	1802.0	Other	Approved/Active-Metabolite
CID130659	gemcitabine-triphosphate	L01BC05	-37.902	-46.466	-46.466	408.0	Other	Approved/Active-Metabolite
CID136721436	9-beta-D-arabinosylguanine	L01BB07	-27.739	-30.631	-30.631	1431.0	Other	Approved/Active-Metabolite
CID9908268	fingolimod-phosphate	L04AA27	-54.21100000000001	-47.966	-54.21100000000001	103.0	Other	Approved/Active-Metabolite
CID5463984	Benazeprilat	C09BA07,C09AA07	-46.895	-38.984	-46.895	389.0	Other	Approved/Active-Metabolite
CID9925873	norcodeine	N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07	-27.027	-28.234	-28.234	1557.0	Other	Approved/Active-Metabolite
CID183797	melagatran	B01AE05	-52.418	-47.611	-52.418	149.0	Other	Approved/Active-Metabolite
CID129734485	beta-hydroxy-lovastatin	C10AA02,C10BA01	-46.44300000000001	-43.78100000000001	-46.44300000000001	409.0	Other	Approved/Active-Metabolite
CID6420157	gemcitabine-diphosphate	L01BC05	-31.081	-42.236	-42.236	663.0	Other	Approved/Active-Metabolite
CID64766	Cilazaprilat	C09BA08,C09AA08	-45.924	-46.636	-46.636	399.0	Other	Approved/Active-Metabolite
CID3034646	6-thioguanosine-5'-phosphate	L04AX01	-43.444	-41.64	-43.444	600.0	Other	Approved/Active-Metabolite
CID4075	mesalamine	A07EC03	-15.725	-25.047	-25.047	1708.0	Other	Approved/Active-Metabolite
CID719629	4–aminobenzoyl-beta-alanine	L04AA13	-27.422	-23.093000000000004	-27.422	1597.0	Other	Approved/Active-Metabolite
CID338	Salicylic-acid	N02BA06	-23.173	-24.011	-24.011	1751.0	Other	Approved/Active-Metabolite
CID104807	2-((3-Aminopropyl)amino)ethanethiol	V03AF05	-13.481	-25.111	-25.111	1706.0	Other	Approved/Active-Metabolite
CID44468216	GS-441524	Antivirals	-20.472	-35.376	-35.376	1135.0	Investigational/Active-Metabolite	NA
CID36273	mecillinam	J01CR50,J01CA08	-40.76300000000001	-36.36	-40.76300000000001	765.0	Antiinfectives	Approved/Active-Metabolite
CID10255482	5-fluorouridine-triphosphate	L01BC06	-37.144	-50.773	-50.773	214.0	Other	Approved/Active-Metabolite
CID9931891	ACT-333679	B01AC27	-52.653	-52.375	-52.653	140.0	Other	Approved/Active-Metabolite
CID5464097	trandolaprilat	C09AA10,C09BB10	-47.304	-49.743	-49.743	255.0	Other	Approved/Active-Metabolite
CID104842	7-ethyl-10-hydroxy-camptothecin	L01XX19	-35.532	-39.703	-39.703	840.0	Other	Approved/Active-Metabolite
CID3033702	spiraprilat	C09AA11	-45.545	-49.75100000000001	-49.75100000000001	254.0	Other	Approved/Active-Metabolite
CID2136	amfenac	S01BC10	-38.91	-40.128	-40.128	809.0	Other	Approved/Active-Metabolite
CID3385	5-fluorouracil	J02AX01,D01AE21	-16.535999999999998	-17.053	-17.053	1981.0	Antiinfectives	Approved/Active-Metabolite
CID107994	Quinaprilat	C09AA06,C09BA06	-53.247	-52.44	-53.247	126.0	Other	Approved/Active-Metabolite
CID5991	ethynyl-estradiol	Approved/Active-Metabolite	-29.731	-27.29	-29.731	1483.0	NA	NA
CID5360621	morphine-6-glucuronide	N02AA79,R05DA04,N02AA59,N02AJ08,N02AJ06,N02AJ07	-44.827	-39.4	-44.827	525.0	Other	Approved/Active-Metabolite