diff --git "a/cache/duvida/9f5423c6fd028844.csv" "b/cache/duvida/9f5423c6fd028844.csv"
deleted file mode 100644--- "a/cache/duvida/9f5423c6fd028844.csv"
+++ /dev/null
@@ -1,4002 +0,0 @@
-id,smiles,inchikey,mwt,clogp,SMILES,Name,Rep 1,Rep 2,Mean,pmic
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-10844740,Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+],TTWYZDPBDWHJOR-ANEDODFUSA-L,550.9596339579999,-8.885000000000003,Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+],ADENOSINE TRIPHOSPHATE DISODIUM,0.91213,1.0833,0.997715,
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-51180834,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,GVJHHUAWPYXKBD-UHFFFAOYSA-N,430.38108084,8.840260000000002,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,alpha-TOCHOPHEROL [4 mM],0.99732,0.94552,0.97142,
-35984396,CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,ZAKOWWREFLAJOT-UHFFFAOYSA-N,472.39164552399996,9.059960000000002,CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,alpha-TOCHOPHERYL ACETATE [4mM],1.3054,1.4315,1.36845,
-89267140,COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,JLTNCZQNGBLBGO-UHFFFAOYSA-N,410.1365530439999,3.7135000000000025,COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,alpha-TOXICAROL (dl),1.0557,1.0625,1.0591,
-45531154,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,IAFBOKYTDSDNHV-UHFFFAOYSA-N,284.104858992,3.410300000000002,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,ALPINETIN METHYL ETHER,0.90553,1.1226,1.014065,
-10762499,C=CCc1ccccc1OCC(O)CNC(C)C.Cl,RRCPAXJDDNWJBI-UHFFFAOYSA-N,285.14955668799996,2.5746000000000007,C=CCc1ccccc1OCC(O)CNC(C)C.Cl,ALPRENOLOL HYDROCHLORIDE,0.75753,0.79536,0.776445,
-51753132,O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,GCUCIFQCGJIRNT-UHFFFAOYSA-N,255.053157768,1.5204,O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,ALRESTATIN,1.1604,0.92544,1.04292,
-45659966,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,VGLGVJVUHYTIIU-UHFFFAOYSA-N,382.983496608,0.9365000000000001,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,ALTHIAZIDE,1.2437,0.92902,1.08636,
-30481200,C=CC[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,VWAUPFMBXBWEQY-JSRAGOMMSA-N,310.193280072,4.275600000000004,C=CC[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,ALTRENOGEST,0.91316,0.89163,0.902395,
-94660609,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,RYHCACJBKCOBTJ-UHFFFAOYSA-N,473.24135245999986,3.3254,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,ALVERINE CITRATE,1.0868,0.9023,0.99455,
-35790632,Cl.NC12CC3CC(CC(C3)C1)C2,WOLHOYHSEKDWQH-UHFFFAOYSA-N,187.112777256,2.3357,Cl.NC12CC3CC(CC(C3)C1)C2,AMANTADINE HYDROCHLORIDE,1.0288,1.3607,1.19475,
-92347233,CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)OCC[C@@H]12,YPZUZOLGGMJZJO-BHUMPYGKSA-N,236.21401551600002,4.408000000000004,CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)OCC[C@H]21,AMBROXIDE (-),1.0567,0.97664,1.01667,
-83511000,Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,QNVKOSLOVOTXKF-UHFFFAOYSA-N,411.955265108,3.6087000000000016,Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,AMBROXOL HYDROCHLORIDE,0.70307,0.83502,0.769045,
-87910899,CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,ILKJAFIWWBXGDU-ZYDCGBIBSA-N,502.23668168,3.5238000000000023,CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,AMCINONIDE,1.1072,1.0635,1.08535,
-16738066,COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1,ZEASXVYVFFXULL-UHFFFAOYSA-N,313.07324158,0.04210000000000047,COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1,AMEZINIUM METILSULFATE,1.0147,1.0733,1.044,
-10324052,NCCCNCCSP(=O)(O)O,JKOQGQFVAUAYPM-UHFFFAOYSA-N,214.05409996999998,-0.2492999999999997,NCCCNCCSP(=O)(O)O,AMIFOSTINE,1.0624,1.1964,1.1294,
-10243326,NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)C1O.O,DTSOZYYWEZJFSS-LLPWHQRGSA-N,603.2963011199998,-9.248900000000015,NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)C1O.O,AMIKACIN HYDRATE,0.14906,0.17127,0.160165,
-57652144,Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,ACHKKGDWZVCSNH-UHFFFAOYSA-N,265.024563268,-0.6605300000000001,Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,AMILORIDE HYDROCHLORIDE,1.0154,1.0621,1.03875,
-63210426,Nc1c2ccccc2nc2ccccc12,XJGFWWJLMVZSIG-UHFFFAOYSA-N,194.08439832,2.970200000000001,Nc1c2ccccc2nc2ccccc12,AMINACRINE,0.2704,0.23965,0.255025,
-15534763,Cl.NCCCCCC(=O)O,AENOKLOQCCSDAZ-UHFFFAOYSA-N,167.071306368,1.0119,Cl.NCCCCCC(=O)O,AMINOCAPROIC ACID HYDROCHLORIDE,0.87545,0.91934,0.897395,
-24845819,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,ROBVIMPUHSLWNV-UHFFFAOYSA-N,232.121177752,1.3532,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,AMINOGLUTETHIMIDE,1.0262,0.79235,0.909275,
-57741989,Nc1ccc(C(=O)NCC(=O)O)cc1,HSMNQINEKMPTIC-UHFFFAOYSA-N,194.06914218,0.08319999999999966,Nc1ccc(C(=O)NCC(=O)O)cc1,AMINOHIPPURIC ACID,1.1764,1.1332,1.1548,
-63581312,Cl.NCC(=O)CCC(=O)O,ZLHFONARZHCSET-UHFFFAOYSA-N,167.03492086,-0.19920000000000032,Cl.NCC(=O)CCC(=O)O,AMINOLEVULINIC ACID HYDROCHLORIDE,0.88794,1.0427,0.96532,
-74017243,Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN,LHRHXWBJUQKYEL-UHFFFAOYSA-N,240.133473752,-2.1358999999999986,Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN,AMINOPHYLLINE,0.90932,0.90723,0.908275,
-85166719,Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,TVZGACDUOSZQKY-UHFFFAOYSA-N,440.1556657399999,0.24409999999999987,Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,AMINOPTERIN,1.0659,0.91029,0.988095,
-82705438,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,RMMXTBMQSGEXHJ-UHFFFAOYSA-N,231.137162164,1.55042,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,AMINOPYRINE,1.1701,1.0688,1.11945,
-26292191,Nc1ccc(C(=O)[O-])c(O)c1.[Na+],FVVDKUPCWXUVNP-UHFFFAOYSA-M,175.024537332,-3.6581,Nc1ccc(C(=O)[O-])c(O)c1.[Na+],AMINOSALICYLATE SODIUM,0.93755,0.91528,0.926415,
-43711494,Nc1nccs1,RAIPHJJURHTUIC-UHFFFAOYSA-N,100.009519128,0.7253000000000001,Nc1nccs1,AMINOTHIAZOLE,1.0796,0.98279,1.031195,
-86478974,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,ITPDYQOUSLNIHG-UHFFFAOYSA-N,681.0003675000002,7.358000000000007,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,AMIODARONE HYDROCHLORIDE,1.2417,0.95497,1.098335,
-11207832,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,NTJOBXMMWNYJFB-UHFFFAOYSA-N,369.172227344,1.2851000000000006,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,AMISULPRIDE,1.1319,1.2763,1.2041,
-77861437,Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1,QXAITBQSYVNQDR-UHFFFAOYSA-N,293.18919773600004,4.871880000000004,Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1,AMITRAZ,1.0221,1.0398,1.03095,
-62554421,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,KFYRPLNVJVHZGT-UHFFFAOYSA-N,313.159727448,4.590400000000005,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,AMITRIPTYLINE HYDROCHLORIDE,0.66743,0.89296,0.780195,
-84485234,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,SGRYPYWGNKJSDL-UHFFFAOYSA-N,298.095356928,2.745,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,AMLEXANOX,1.0647,1.0019,1.0333,
-65946147,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,ZPBWCRDSRKPIDG-UHFFFAOYSA-N,566.1489646319999,3.199600000000002,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,AMLODIPINE BESYLATE,1.1868,1.0218,1.1043,
-10212670,CC(O)C(=O)[O-].[NH4+],RZOBLYBZQXQGFY-UHFFFAOYSA-N,107.058243148,-1.5067,CC(O)C(=O)[O-].[NH4+],AMMONIUM LACTATE,0.82449,0.77971,0.8021,
-56689407,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,DHTLLULITDNQFA-UHFFFAOYSA-N,427.0984954279999,6.0228000000000055,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,AMODIAQUINE DIHYDROCHLORIDE,0.81484,0.7246,0.76972,
-80238676,CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.Cl,XZKWIPVTHGWDCF-KUZYQSSXSA-N,353.248542452,5.083800000000006,CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1.Cl,AMOROLFINE HYDROCHLORIDE,0.95456,0.90132,0.92794,
-99349341,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,QWGDMFLQWFTERH-UHFFFAOYSA-N,313.09818981199993,3.4292000000000025,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,AMOXAPINE,0.56885,1.0206,0.794725,
-70104791,CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,LSQZJLSUYDQPKJ-BBGACYKPSA-N,365.104541708,0.023700000000000443,CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,AMOXICILLIN,1.2125,0.94003,1.076265,
-29716951,CC1OC(O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)C[C@]3(O)C[C@H](O)C(C(=O)O)C(C2)O3)C(O)[C@H](N)C1O,APKFDSVGJQXUKY-AUDLGAQHSA-N,923.4878498760002,0.7117000000000049,CC1OC(O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)C[C@]3(O)C[C@H](O)C(C(=O)O)C(C2)O3)C(O)[C@H](N)C1O,AMPHOTERICIN B,0.94989,1.0226,0.986245,
-29278999,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],KLOHDWPABZXLGI-YWUHCJSESA-M,371.09157133599996,-4.012599999999997,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],AMPICILLIN SODIUM,1.1385,1.1185,1.1285,
-11424269,CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21,LSNWBKACGXCGAJ-UHFFFAOYSA-N,447.11002101200006,2.558700000000001,CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21,AMPIROXICAM,0.95294,1.1816,1.06727,
-11199741,CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-],LCTXBFGHZLGBNU-UHFFFAOYSA-M,278.129824288,-1.3404799999999972,CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-],AMPROLIUM,1.288,1.2795,1.28375,
-58444885,CN(C)c1cnccn1.O=S(=O)(O)O,JAFORFFJNCDPDP-UHFFFAOYSA-N,221.047026832,-0.11019999999999974,CN(C)c1cnccn1.O=S(=O)(O)O,AMPYZINE SULFATE,0.9981,1.0504,1.02425,
-71734936,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,XCPGHVQEEXUHNC-UHFFFAOYSA-N,393.11471246800005,4.511700000000003,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,AMSACRINE,0.88023,0.77888,0.829555,
-48014585,N#CC(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,XUCIJNAGGSZNQT-SWRVSKMJSA-N,457.15841068399993,-3.108019999999997,N#CC(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,AMYGDALIN,1.0943,0.91717,1.005735,
-11506266,CCC(C)(C)O,MSXVEPNJUHWQHW-UHFFFAOYSA-N,88.088815004,1.1673,CCC(C)(C)O,AMYLENE HYDRATE,1.0357,0.91375,0.974725,
-10465153,CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl,PFWHFUPRJSEODI-UHFFFAOYSA-N,289.13457531999995,3.722200000000003,CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl,ANABASAMINE HYDROCHLORIDE,1.0994,1.0418,1.0706,
-33787034,Cl.c1cncc(C2CCCCN2)c1,VTMZQNZVYCJLGG-UHFFFAOYSA-N,198.09237616,2.3179999999999996,Cl.c1cncc(C2CCCCN2)c1,ANABASINE HYDROCHLORIDE,0.92166,0.94183,0.931745,
-45265514,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,TVWRQCIPWUCNMI-UHFFFAOYSA-N,290.97329491600004,2.3481000000000005,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,ANAGRELIDE HYDROCHLORIDE,0.8474,1.0207,0.93405,
-84192884,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,YBBLVLTVTVSKRW-UHFFFAOYSA-N,293.16404560800004,2.9287600000000014,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,ANASTROZOLE,0.9119,0.92672,0.91931,
-10498602,O=S(=O)([O-])c1cc(O)c2c(/N=N/c3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+],ADGGJQPKBDIZMT-UHFFFAOYSA-K,694.9690895520002,-4.4180999999999955,O=S(=O)([O-])c1cc(O)c2c(/N=N/c3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+],ANAZOLENE SODIUM,2.1663,2.0743,2.1203,
-80941927,Cl.N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]12,KZOWNALBTMILAP-QFSSJCHDSA-N,261.051633544,-1.2040300000000004,Cl.N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]12,ANCITABINE HYDROCHLORIDE,1.0502,0.96703,1.008615,
-38873507,C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C3OC132,BFUCTROUWLSVBH-WECPIXGDSA-N,468.21480336399986,4.338300000000004,C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C3OC132,ANDIROBIN,1.1454,0.86648,1.00594,
-79140770,C=C1CCC2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,BOJKULTULYSRAS-RIQHVNDASA-N,350.2093240599999,1.9625999999999997,C=C1CCC2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,ANDROGRAPHOLIDE,0.92052,1.182,1.05126,
-18389113,C[C@]12C=CC(=O)C=C1CCC1C2CC[C@]2(C)C(=O)CCC12,LUJVUUWNAPIQQI-WFZCBACDSA-N,284.177630008,3.863400000000003,C[C@]12C=CC(=O)C=C1CCC1C2CC[C@]2(C)C(=O)CCC12,"ANDROSTA-1,4-DIEN-3,17-DIONE",1.1455,1.1981,1.1718,
-44316937,C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CCC2=O,QGXBDMJGAMFCBF-KMMCVRKDSA-N,290.2245802,3.959100000000003,C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CCC2=O,ANDROSTERONE,0.90113,0.92005,0.91059,
-10993587,C/C=C/c1ccc(OC)cc1,RUVINXPYWBROJD-UHFFFAOYSA-N,148.088815004,2.728300000000001,C/C=C/c1ccc(OC)cc1,ANETHOLE,1.2089,1.1543,1.1816,
-17554783,COc1ccc([C@@H](C)C(=O)c2ccc(O)cc2O)cc1,CCOJFDRSZSSKOG-SNVBAGLBSA-N,272.104858992,3.092800000000002,COc1ccc([C@@H](C)C(=O)c2ccc(O)cc2O)cc1,ANGOLENSIN (R),0.98805,0.89153,0.93979,
-64284963,COc1ccc(C(=O)N2CCCC2=O)cc1,ZXNRTKGTQJPIJK-UHFFFAOYSA-N,219.089543276,1.4578,COc1ccc(C(=O)N2CCCC2=O)cc1,ANIRACETAM,1.1245,0.89415,1.009325,
-71353774,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,XRCFXMGQEVUZFC-UHFFFAOYSA-N,252.078644244,2.8580000000000005,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,ANISINDIONE,1.0709,1.012,1.04145,
-75904104,Br.CN1C2CC(O)[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,KMYQCELRVANQNG-PIODLRSPSA-N,385.08887034799994,1.4795999999999998,Br.CN1C2CC(O)[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,ANISODAMINE HYDROBROMIDE (+/-),1.0384,0.9496,0.994,
-33944437,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,REYFJDPCWQRWAA-UHFFFAOYSA-N,265.157897608,2.6949000000000014,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,ANTAZOLINE,1.2509,1.0769,1.1639,
-68785056,CC(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]32[C@]2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@]3(C)C12,AJTULIWKBMDPCJ-IYGCLJFQSA-N,480.2148033639999,4.434900000000003,CC(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]32[C@]2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@]3(C)C12,ANTHOTHECOL,1.1427,1.0488,1.09575,
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-15778130,CCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C,ZVYMCLIDNNTNCL-GFRRLMGDSA-N,534.2577307959999,3.090300000000001,CCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C,ANTIMYCIN A (A1 shown),0.905,0.75235,0.828675,
-47661850,Cc1cc(=O)n(-c2ccccc2)n1C,VEQOALNAAJBPNY-UHFFFAOYSA-N,188.094963004,1.4844199999999999,Cc1cc(=O)n(-c2ccccc2)n1C,ANTIPYRINE,1.0068,0.94246,0.97463,
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-33439211,COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1,LZERJKGWTQYMBB-UHFFFAOYSA-N,298.084123548,3.182800000000002,COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1,APIGENIN DIMETHYL ETHER,0.99505,1.1254,1.060225,
-60175620,CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1,IVXFOQQPPONQTB-UHFFFAOYSA-N,396.08451747199996,3.2359000000000018,CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1,APIGENIN TRIACETATE,0.78191,1.0321,0.907005,
-12321117,C=CCc1cc(OC)c2c(c1OC)OCO2,QQRSPHJOOXUALR-UHFFFAOYSA-N,222.089208928,2.1609999999999996,C=CCc1cc(OC)c2c(c1OC)OCO2,APIOLE,1.1338,0.96418,1.04899,
-10743402,COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,QNZCBYKSOIHPEH-UHFFFAOYSA-N,459.19065428,2.699600000000001,COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,APIXABAN,1.0657,1.0083,1.037,
-55627907,COc1cc(C(C)=O)ccc1O,DFYRUELUNQRZTB-UHFFFAOYSA-N,166.06299418,1.6034,COc1cc(C(C)=O)ccc1O,APOCYNIN,0.87729,0.94513,0.91121,
-90527965,CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3.Cl,SKYZYDSNJIOXRL-UHFFFAOYSA-N,303.10260649599996,3.271700000000003,CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3.Cl,APOMORPHINE HYDROCHLORIDE,0.96262,0.80939,0.886005,
-10473830,CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)O[C@@H]2[C@@H]1O.O=S(=O)(O)O,WGLYHYWDYPSNPF-ADSMRDENSA-N,637.2476366760001,-7.602100000000016,CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)O[C@@H]2[C@@H]1O.O=S(=O)(O)O,APRAMYCIN SULFATE,0.89054,0.94921,0.919875,
-10951992,CC(c1nc(=O)[nH][nH]1)N1CCOC(O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1,OBXIQNYBIWAVEQ-STFBYJNUSA-N,548.1658381359999,5.513100000000004,CC(c1nc(=O)[nH][nH]1)N1CCOC(O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1,APREPITANT,0.65452,0.77824,0.71638,
-81687149,OC[C@H](O)C(O)[C@@H](O)CO,HEBKCHPVOIAQTA-IMJSIDKUSA-N,152.068473484,-2.9463000000000004,OC[C@H](O)C(O)[C@@H](O)CO,ARABITOL,1.1036,1.1093,1.10645,
-39622244,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,YZXBAPSDXZZRGB-UHFFFAOYSA-N,304.240230264,6.216700000000006,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,ARACHIDONIC ACID,1.0161,1.3828,1.19945,
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-17521971,Br.COC(=O)C1=CCCN(C)C1,AXOJRQLKMVSHHZ-UHFFFAOYSA-N,235.020790788,0.9992,Br.COC(=O)C1=CCCN(C)C1,ARECOLINE HYDROBROMIDE,0.97072,1.0794,1.02506,
-74796649,Cl.N=C(N)NCCCC(N)C(=O)O,KWTQSFXGGICVPE-UHFFFAOYSA-N,210.0883534,-0.9166299999999994,Cl.N=C(N)NCCCC(N)C(=O)O,ARGININE HYDROCHLORIDE,1.0753,1.0662,1.07075,
-10737213,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CEUORZQYGODEFX-UHFFFAOYSA-N,447.14803246400004,4.859300000000005,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,ARIPIPRAZOLE,0.83126,0.75934,0.7953,
-47939843,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3,BBFQZRXNYIEMAW-UHFFFAOYSA-N,341.053551692,3.336700000000002,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3,ARISTOLOCHIC ACID,0.9848,1.0924,1.0386,
-66154463,NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1,YFGHCGITMMYXAQ-LJQANCHMSA-N,273.08234972,2.01,NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1,ARMODAFINIL,1.3522,0.96611,1.159155,
-59492028,Nc1ccc([As](=O)(O)O)cc1,XKNKHVGWJDPIRJ-UHFFFAOYSA-N,216.972014616,-1.1702000000000004,Nc1ccc([As](=O)(O)O)cc1,ARSANILIC ACID,1.0501,0.98043,1.015265,
-49266146,NCCO.NCCO.O[AsH]O[AsH]O,RDTAODVGWVGGEV-UHFFFAOYSA-N,323.96476467599996,-4.604599999999996,NCCO.NCCO.O[AsH]O[AsH]O,ARSENIC TRIOXIDE DIETHANOLAMINE SALT,1.093,1.1187,1.10585,
-80274182,COC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3,SXYIRMFQILZOAM-DAWBJHCGSA-N,298.178023932,2.8408000000000015,COC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,ARTEMETHER,1.1804,1.0422,1.1113,
-76314076,C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4,BLUAFEHZUWYNDE-DKGJTOOQSA-N,282.146723804,2.3949000000000007,C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4,ARTEMISININ,0.90207,0.95756,0.929815,
-75020564,CCOC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3,NLYNIRQVMRLPIQ-UCHVITTHSA-N,312.193673996,3.230900000000002,CCOC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,ARTEMOTIL,1.309,1.1408,1.2249,
-28589579,C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4,BJDCWCLMFKKGEE-SUZORCHOSA-N,284.162373868,2.1867,C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4,ARTENIMOL,0.89054,0.86527,0.877905,
-11564088,CC1C(=O)O[C@H]2C1CCC1(C)CCC(=O)[C@@H](C)[C@H]21,BXRGGUXPWTWACZ-JFYDMLHMSA-N,250.156894564,2.5794000000000006,CC1C(=O)O[C@H]2C1CCC1(C)CCC(=O)[C@@H](C)[C@H]21,ARTEPAULIN,0.91239,0.97928,0.945835,
-81660475,C[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,FIHJKUPKCHIPAT-AXFKQHSWSA-N,384.17841785599995,2.6024000000000003,C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4,ARTESUNATE,0.82049,0.8371,0.828795,
-10834643,CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1,DGXLEDCXMIJNPJ-UHFFFAOYSA-N,528.2359327319999,5.407600000000005,CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1,ARTHONIOIC ACID,1.1956,1.0174,1.1065,
-37666302,COc1cc(OC)c(OC)cc1C=O,IAJBQAYHSQIQRE-UHFFFAOYSA-N,196.073558864,1.5249,COc1cc(OC)c(OC)cc1C=O,ASARYLALDEHYDE,0.91525,0.84719,0.88122,
-48847009,O=C1O[C@H](C(O)CO)C(O)=C1O,CIWBSHSKHKDKBQ-DOAHDZERSA-N,176.032087976,-1.4073999999999995,O=C1O[C@H](C(O)CO)C(O)=C1O,ASCORBIC ACID,1.0248,0.94619,0.985495,
-19524376,CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC(=O)C(O)=C1O,QAQJMLQRFWZOBN-FBLFFUNLSA-N,414.26175355599986,4.624800000000002,CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC(=O)C(O)=C1O,ASCORBYL PALMITATE,1.3375,1.1257,1.2316,
-96389036,C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C,WYQVAPGDARQUBT-VOFBOSDASA-N,958.5137302760002,-1.0327999999999888,C[C@@H]1C2C3=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,ASIATICOSIDE,1.0136,0.8791,0.94635,
-69641836,NC(=O)C[C@H](N)C(=O)O.O,RBMGJIZCEWRQES-DKWTVANSSA-N,150.0640568,-2.551,NC(=O)C[C@H](N)C(=O)O.O,ASPARAGINE (L) HYDRATE,0.92099,0.86733,0.89416,
-53902320,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,IAOZJIPTCAWIRG-QWRGUYRKSA-N,294.121571676,-0.31109999999999954,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,ASPARTAME,0.92307,0.86483,0.89395,
-32436549,N[C@@H](CC(=O)O)C(=O)O,CKLJMWTZIZZHCS-REOHCLBHSA-N,133.037507704,-1.127,N[C@@H](CC(=O)O)C(=O)O,ASPARTIC ACID (L),0.8443,1.0087,0.9265,
-71308230,CC(=O)Oc1ccccc1C(=O)O,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,180.042258736,1.3101,CC(=O)Oc1ccccc1C(=O)O,ASPIRIN,1.1501,0.86132,1.00571,
-58565520,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)C1=O,MQZIGYBFDRPAKN-UHFFFAOYSA-N,596.386560144,8.905400000000004,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)C1=O,ASTAXANTHIN,1.1455,1.278,1.21175,
-11661546,CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)C4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1,QMNWISYXSJWHRY-XWJCTJPOSA-N,784.460906856,0.7241000000000044,CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)C4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1,ASTRAGALOSIDE IV,0.99119,1.0616,1.026395,
-58131208,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,DQSGVVGOPRWTKI-QVFAWCHISA-N,802.3571275480003,3.5588000000000024,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,ATAZANAVIR SULFATE,0.75562,0.8963,0.82596,
-24031907,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,METKIMKYRPQLGS-UHFFFAOYSA-N,266.163042564,0.45210000000000006,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,ATENOLOL,0.93121,1.0221,0.976655,
-72618843,CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl,LUCXVPAZUDVVBT-UNTBIKODSA-N,291.138992004,4.146420000000004,CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl,ATOMOXETINE HYDROCHLORIDE,0.9414,1.2787,1.11005,
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-10859329,O=C(CNC(=O)c1ccc(Cl)cc1)NO,JFZGBMJPJZDNNT-UHFFFAOYSA-N,228.030169828,0.5751999999999999,O=C(CNC(=O)c1ccc(Cl)cc1)NO,BENURESTAT,1.0052,0.91438,0.95979,
-98104745,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],YDYYFACRFOILLS-UHFFFAOYSA-M,371.295492644,2.753300000000001,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],BENZALKONIUM CHLORIDE HYDRATE,0.19035,0.20312,0.196735,
-84001971,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,WHQCHUCQKNIQEC-UHFFFAOYSA-N,421.9153184439999,5.456800000000003,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,BENZBROMARONE,0.81651,0.99949,0.908,
-55282237,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-],UREZNYTWGJKWBI-UHFFFAOYSA-M,447.29040726399995,3.0764000000000014,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-],BENZETHONIUM CHLORIDE,0.15563,0.16959,0.16261,
-10989073,CCOC(=O)c1ccc(N)cc1,BLFLLBZGZJTVJG-UHFFFAOYSA-N,165.078978592,1.4455,CCOC(=O)c1ccc(N)cc1,BENZOCAINE,0.96636,0.76435,0.865355,
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-25058997,O=C(O)c1ccccc1,WPYMKLBDIGXBTP-UHFFFAOYSA-N,122.036779432,1.3848,O=C(O)c1ccccc1,BENZOIC ACID,0.96865,0.96417,0.96641,
-46285569,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,MAFMQEKGGFWBAB-UHFFFAOYSA-N,603.3618615159999,2.8346000000000036,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,BENZONATATE,0.96482,0.92225,0.943535,
-29464365,O=C(Oc1cccc2cccnc12)c1ccccc1,BHKPHCKISVSDGV-UHFFFAOYSA-N,249.078978592,3.4540000000000015,O=C(Oc1cccc2cccnc12)c1ccccc1,BENZOXIQUINE,0.65152,0.81907,0.735295,
-67677248,O=C(OOC(=O)c1ccccc1)c1ccccc1,OMPJBNCRMGITSC-UHFFFAOYSA-N,242.0579088,2.615400000000001,O=C(OOC(=O)c1ccccc1)c1ccccc1,BENZOYL PEROXIDE,0.95975,0.98857,0.97416,
-83331957,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,GNZCRYWFWKFIDM-UHFFFAOYSA-N,257.068807832,2.3427,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,BENZOYLPAS,0.93485,1.0124,0.973625,
-97212702,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,NDTSRXAMMQDVSW-UHFFFAOYSA-N,430.98349660799994,2.2427,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,BENZTHIAZIDE,1.0184,0.95341,0.985905,
-42309070,CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O,CPFJLLXFNPCTDW-UHFFFAOYSA-N,403.18172940799997,3.921800000000003,CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O,BENZTROPINE MESYLATE,0.87772,0.96649,0.922105,
-43223081,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,HNNIWKQLJSNAEQ-UHFFFAOYSA-N,345.160790068,3.836900000000003,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,BENZYDAMINE HYDROCHLORIDE,1.0274,0.92157,0.974485,
-39847547,OCc1ccccc1,WVDDGKGOMKODPV-UHFFFAOYSA-N,108.057514876,1.1789,OCc1ccccc1,BENZYL ALCOHOL,1.0486,0.96525,1.006925,
-62455020,O=C(OCc1ccccc1)c1ccccc1,SESFRYSPDFLNCH-UHFFFAOYSA-N,212.083729624,3.0436000000000014,O=C(OCc1ccccc1)c1ccccc1,BENZYL BENZOATE,0.9375,0.91869,0.928095,
-20961843,S=C=NCc1ccccc1,MDKCFLQDBWCQCV-UHFFFAOYSA-N,149.029920224,2.2894000000000005,S=C=NCc1ccccc1,BENZYL ISOTHIOCYANATE,0.81668,0.7138,0.76524,
-32873346,O=C(OCc1ccccc1)c1cccnc1,KVYGGMBOZFWZBQ-UHFFFAOYSA-N,213.078978592,2.4386,O=C(OCc1ccccc1)c1cccnc1,BENZYL NICOTINATE,1.2362,1.4087,1.32245,
-10557143,Cl.NNCc1ccccc1,PRBLRLQZOKOQCQ-UHFFFAOYSA-N,158.061076032,1.0717,Cl.NNCc1ccccc1,BENZYLHYDRAZINE HYDROCHLORIDE,0.98759,0.90643,0.94701,
-37137434,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,PMPQCPQAHTXCDK-UHFFFAOYSA-M,443.20965840799994,4.250900000000005,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,BEPHENIUM HYDROXYNAPTHOATE,0.89671,0.8208,0.858755,
-10328898,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,JXBBWYGMTNAYNM-UHFFFAOYSA-N,402.24379142000004,5.252000000000007,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,BEPRIDIL HYDROCHLORIDE,1.2519,1.0109,1.1314,
-16051307,COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3N(C)CC2)N(C)CC4.Cl.Cl,SNFZOWCOEANLMI-ROLVXWJJSA-N,680.241992424,7.703000000000008,COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3N(C)CC2)N(C)CC4.Cl.Cl,BERBAMINE HYDROCHLORIDE,1.0696,0.92638,0.99799,
-83386829,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],VKJGBAJNNALVAV-UHFFFAOYSA-M,371.0924357359999,0.10029999999999983,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],BERBERINE CHLORIDE,0.94847,0.93841,0.94344,
-10914236,COc1c2ccoc2cc2oc(=O)ccc12,BGEBZHIAGXMEMV-UHFFFAOYSA-N,216.042258736,2.5478000000000005,COc1c2ccoc2cc2oc(=O)ccc12,BERGAPTEN,1.0729,0.98675,1.029825,
-11232722,COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,YWJXCIXBAKGUKZ-HJJNZUOJSA-N,328.07943209199993,-1.2006000000000006,COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,BERGENIN,1.066,0.9954,1.0307,
-10496394,Cl.NCC(N)C(=O)O,SKWCZPYWFRTSDD-UHFFFAOYSA-N,140.035255208,-1.2211999999999998,Cl.NCC(N)C(=O)O,BETA-AMINOALANINE HYDROCHLORIDE,0.82593,0.87667,0.8513,
-11092199,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1,JFSHUTJDVKUMTJ-KOMNAURRSA-N,426.38616622,8.168900000000008,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1,beta-AMYRIN,0.87682,0.9259,0.90136,
-10471095,CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C,UMRPOGLIBDXFNK-PLIKLMKUSA-N,468.396730904,8.739700000000004,CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C,beta-AMYRIN ACETATE,1.1594,1.1438,1.1516,
-91076416,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)C5CC[C@]43C)C2C1,FJFGMZSGRVIUSZ-HHZRVWEKSA-N,530.412380968,10.033599999999996,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)C5CC[C@]43C)C2C1,beta-AMYRIN BENZOATE,1.1322,0.91863,1.025415,
-37144671,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,OENHQHLEOONYIE-UHFFFAOYSA-N,536.438201792,12.605799999999977,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,beta-CAROTENE [2mM],0.96545,0.9861,0.975775,
-98521080,CC12CCCC(O)(C1)C1CC(C)(C)C1CC2,FUQAYSQLAOJBBC-UHFFFAOYSA-N,222.198365452,3.7539000000000025,CC12CCCC(O)(C1)C1CC(C)(C)C1CC2,beta-CARYOPHYLLENE ALCOHOL,0.96136,0.95397,0.957665,
-81412286,CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,QZPQTZZNNJUOLS-UHFFFAOYSA-N,242.094294308,2.7521000000000013,CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,beta-LAPACHONE,1.3418,1.6071,1.47445,
-91138834,CCC(CCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(C)C,KZJWDPNRJALLNS-LRWZISJQSA-N,414.38616622,8.02480000000001,CCC(CCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(C)C,beta-SITOSTEROL,0.87128,1.0209,0.94609,
-70120213,C[N+](C)(C)CC(=O)[O-].Cl,HOPSCVCBEOCPJZ-UHFFFAOYSA-N,153.055656304,-1.1357,C[N+](C)(C)CC(=O)[O-].Cl,BETAINE HYDROCHLORIDE,0.98315,1.0194,1.001275,
-88550607,C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,UREBDLICKHMUKA-REKGUKDCSA-N,392.19990224799994,1.8957000000000002,C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,BETAMETHASONE,1.4177,1.0229,1.2203,
-94918725,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C,CIWBQSYVNNPZIQ-YMSYXYNZSA-N,504.252331744,3.8175000000000026,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C,"BETAMETHASONE 17,21-DIPROPIONATE",1.0936,1.0231,1.05835,
-74070357,CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,AKUJBENLRBOFTD-DKNQJTFPSA-N,434.210466932,2.466500000000001,CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,BETAMETHASONE ACETATE,0.95498,0.83446,0.89472,
-43690751,C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],PLCQGRYPOISRTQ-OWRLUTHBSA-L,516.130121266,-5.243299999999994,C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],BETAMETHASONE SODIUM PHOSPHATE,1.0584,0.81433,0.936365,
-10875498,CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C,SNHRLVCMMWUAJD-FHOZUDJNSA-N,476.25741712399997,3.6368000000000027,CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C,BETAMETHASONE VALERATE,0.87318,0.93992,0.90655,
-34183380,O=C(O)CCNC(=O)c1ccccc1,CWXYHOHYCJXYFQ-UHFFFAOYSA-N,193.073893212,0.8911,O=C(O)CCNC(=O)c1ccccc1,BETAMIPRON,1.1689,0.89773,1.033315,
-81264041,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],XXRMYXBSBOVVBH-UHFFFAOYSA-N,196.097855464,-2.8195999999999968,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],BETHANECHOL CHLORIDE,0.96187,0.89378,0.927825,
-62998674,C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12,FVWJYYTZTCVBKE-UFGVEXIASA-N,442.38108084,6.997200000000009,C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12,BETULIN,0.80842,0.82763,0.818025,
-11208405,C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]12,QGJZLNKBHJESQX-JKDJOHMOSA-N,456.36034539599996,7.089500000000009,C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]12,BETULINIC ACID,0.98684,0.95019,0.968515,
-43735557,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,QADGBOQVBUXZKO-UHFFFAOYSA-N,350.18819469199997,5.273220000000005,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,BEXAROTENE,1.0574,1.0389,1.04815,
-62726267,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,NAVMQTYZDKMPEU-UHFFFAOYSA-N,348.208930136,6.103720000000005,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,BEXAROTENE,1.6695,1.1491,1.4093,
-98942635,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,IIBYAHWJQTYFKB-UHFFFAOYSA-N,361.1080857999999,3.554500000000001,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,BEZAFIBRATE,0.884,1.0004,0.9422,
-68316355,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,MRMBZHPJVKCOMA-YJFSRANCSA-N,350.104876056,-1.8949999999999971,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,BIAPENEM,0.57069,0.55184,0.561265,
-25283387,CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,LKJPYSCBVHEWIU-UHFFFAOYSA-N,430.06104080800003,2.8795800000000007,CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,BICALUTAMIDE,0.87762,0.95837,0.917995,
-43975220,CN1CCc2cc3c(cc2[C@H]1C1OC(=O)c2c1ccc1c2OCO1)OCO3,IYGYMKDQCDOMRE-ZENAZSQFSA-N,367.10558726399995,2.5846999999999998,CN1CCc2cc3c(cc2[C@H]1C1OC(=O)c2c1ccc1c2OCO1)OCO3,BICUCULLINE (+),1.2732,0.96663,1.119915,
-70005085,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,OCAPBUJLXMYKEJ-UHFFFAOYSA-N,310.146998576,5.187800000000005,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,BIFONAZOLE,1.1739,1.0979,1.1359,
-78362017,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,BPYKTIZUTYGOLE-UHFFFAOYSA-N,584.2634848719999,4.531240000000002,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,BILIRUBIN,1.2361,0.97632,1.10621,
-10447428,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,WUADCCWRTIWANL-UHFFFAOYSA-N,284.06847348400004,2.8798000000000012,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,BIOCHANIN A,0.97413,1.0685,1.021315,
-77843848,COc1ccc(-c2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1,VXOBVHAUXZVHTL-UHFFFAOYSA-N,368.089602852,3.319200000000002,COc1ccc(-c2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1,BIOCHANIN A DIACETATE,1.0027,0.96827,0.985485,
-13763391,O=C(O)CCCCC1SCC2NC(=O)NC21,YBJHBAHKTGYVGT-UHFFFAOYSA-N,244.088163372,0.7968000000000001,O=C(O)CCCCC1SCC2NC(=O)NC21,BIOTIN,0.93158,1.1225,1.02704,
-27987651,CC(C)=CCC[C@](C)(O)C1CC=C(C)CC1,RGZSQWQPBWRIAQ-LOACHALJSA-N,222.198365452,4.2302000000000035,CC(C)=CCC[C@](C)(O)C1CC=C(C)CC1,BISABOLOL,0.79548,0.81325,0.804365,
-68917286,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,KHOITXIGCFIULA-UHFFFAOYSA-N,361.13140808800006,4.112400000000003,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,BISACODYL,0.81222,0.93313,0.872675,
-65437165,O=C1O[Bi](O)Oc2ccccc21,ZREIPSZUJIFJNP-UHFFFAOYSA-K,361.99918234,0.21300000000000008,O=C1O[Bi](O)Oc2ccccc21,BISMUTH SUBSALICYLATE,0.96905,0.94339,0.95622,
-65422950,CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,FQUNFJULCYSSOP-UHFFFAOYSA-N,658.3995248400001,9.583999999999996,CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,BISOCTRIZOLE,0.84804,0.89159,0.869815,
-41714074,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O,RZPZLFIUFMNCLY-UHFFFAOYSA-N,441.2362670799999,2.077699999999999,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O,BISOPROLOL FUMARATE,1.0211,0.96353,0.992315,
-62875211,Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,JFIOVJDNOJYLKP-UHFFFAOYSA-N,353.88426115199997,5.862600000000001,Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,BITHIONOL,0.23046,0.25478,0.24262,
-22604832,S=C=Nc1ccc(N=C=S)cc1,OMWQUXGVXQELIX-UHFFFAOYSA-N,191.981590128,3.1552000000000007,S=C=Nc1ccc(N=C=S)cc1,BITOSCANATE,0.88289,0.833,0.857945,
-10315955,COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)O,RAFGELQLHMBRHD-UHFFFAOYSA-N,394.21440943999994,5.810200000000006,COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)O,BIXIN,0.91547,1.0553,0.985385,
-87824117,CC[C@@H]1OC(OC(c2c[nH]cn2)C(NC(=O)c2nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c2C)C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc2nc(-c3nc(C(=O)NCCCCNC(=N)N)cs3)cs2)C(C)O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)[C@@H](C)[C@@H]1C.O=S(=O)(O)O.O=S(=O)(O)O,MYFKIPTTYRRUOH-AGNCXHMGSA-N,1614.5530971279984,-6.045810000000018,CC[C@@H]1OC(OC(c2c[nH]cn2)C(NC(=O)c2nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c2C)C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc2nc(-c3nc(C(=O)NCCCCNC(=N)N)cs3)cs2)C(C)O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)[C@@H](C)[C@@H]1C.O=S(=O)(O)O.O=S(=O)(O)O,BLEOMYCIN (bleomycin B2 shown),0.15577,0.17726,0.166515,
-10185945,COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,LZJRNLRASBVRRX-UHFFFAOYSA-N,327.14705815200006,2.8671000000000015,COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,BOLDINE,0.95838,0.92254,0.94046,
-43774312,CC1(C)C2CCC1(C)C(O)C2,DTGKSKDOIYIVQL-UHFFFAOYSA-N,154.135765196,2.1935000000000002,CC1(C)C2CCC1(C)C(O)C2,BORNEOL,0.92001,0.84157,0.88079,
-63640824,CC(=O)OC1CC2CCC1(C)C2(C)C,KGEKLUUHTZCSIP-UHFFFAOYSA-N,196.14632988,2.7643000000000013,CC(=O)OC1CC2CCC1(C)C2(C)C,BORNYL ACETATE,1.2506,1.0535,1.15205,
-85397927,O=C(O)CC[N+](=O)[O-],WBLZUCOIBUDNBV-UHFFFAOYSA-N,119.02185764000001,-0.26219999999999977,O=C(O)CC[N+](=O)[O-],BOVINOCIDIN,0.76826,0.85829,0.813275,
-90074927,O=C1C=C2C[C@@]3(O)COc4cc(O)ccc4C3=C2C=C1O,MLWIYODOURBGPI-MRXNPFEDSA-N,284.068473484,1.6239999999999999,O=C1C=C2C[C@@]3(O)COc4cc(O)ccc4C3=C2C=C1O,BRAZILEIN,1.6147,1.7178,1.66625,
-89264815,Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,UWHUTZOCTZJUKC-UHFFFAOYSA-N,286.08412354800004,1.6148999999999996,Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,BRAZILIN,1.2576,1.2648,1.2612,
-71643669,CC[N+](C)(C)Cc1ccc(Br)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,WGKKOBZFJDFUAX-UHFFFAOYSA-M,413.0660267279999,3.9445200000000034,CC[N+](C)(C)Cc1ccc(Br)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,BRETYLIUM TOSYLATE,1.2906,0.9757,1.13315,
-23646946,Brc1c(NC2=NCCN2)ccc2nccnc12,XYLJNLCSTIOKRM-UHFFFAOYSA-N,291.01195742,1.7633999999999999,Brc1c(NC2=NCCN2)ccc2nccnc12,BRIMONIDINE,1.2591,1.0476,1.15335,
-31967549,CCNC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,HCRKCZRJWPKOAR-UHFFFAOYSA-N,383.064333772,0.08690000000000164,CCNC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,BRINZOLAMIDE,1.336,1.1929,1.26445,
-10248737,O=c1[nH]c(=O)n(C2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,ODZBBRURCPAEIQ-ZQTLJVIJSA-N,332.00078361600004,-0.45710000000000006,O=c1[nH]c(=O)n(C2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,BRIVUDINE,0.94519,1.0397,0.992445,
-44999372,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,UCDKONUHZNTQPY-UHFFFAOYSA-N,409.9760005520001,4.980100000000004,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,BROMHEXINE HYDROCHLORIDE,1.2735,0.99076,1.13213,
-11281903,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,NPUZIGSOEWMFKK-UHFFFAOYSA-N,299.978591628,3.611900000000002,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,BROMINDIONE,1.1291,1.1416,1.13535,
-95284493,CC(C)CC1C(=O)N2CCC[C@H]2C2(O)O[C@](NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,NOJMTMIRQRDZMT-NBKIJBDLSA-N,749.2093964680003,2.6968000000000005,CC(C)CC1C(=O)N2CCC[C@H]2C2(O)O[C@](NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,BROMOCRIPTINE MESYLATE,1.0038,1.0849,1.04435,
-37321019,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,GIYAQDDTCWHPPL-UHFFFAOYSA-N,343.089539044,2.1115,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,BROMOPRIDE,0.97922,1.0808,1.03001,
-47967558,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,RKLNONIVDFXQRX-UHFFFAOYSA-N,419.089619296,4.5347000000000035,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,BROMPERIDOL,0.75723,0.87962,0.818425,
-18435445,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,SRGKFVAASLQVBO-UHFFFAOYSA-N,434.08411931599994,3.639500000000001,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,BROMPHENIRAMINE MALEATE,1.1176,1.3303,1.22395,
-55625421,O=[N+]([O-])C(Br)(CO)CO,LVDKZNITIUWNER-UHFFFAOYSA-N,198.948019772,-0.6611,O=[N+]([O-])C(Br)(CO)CO,BRONOPOL,0.13534,0.16349,0.149415,
-12700973,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,IJTPLVAAROHGGB-UHFFFAOYSA-N,418.915652792,5.287420000000003,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,BROXALDINE,1.4653,1.3663,1.4158,
-77536611,Oc1c(Br)cc(Br)c2cccnc12,ZDASUJMDVPTNTF-UHFFFAOYSA-N,300.87378798000003,3.4654000000000007,Oc1c(Br)cc(Br)c2cccnc12,BROXYQUINOLINE,0.25075,0.3308,0.290775,
-11295778,COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43,RRKTZKIUPZVBMF-PLNGPGDESA-N,394.189257312,2.1097,COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43,BRUCINE,1.0074,0.90616,0.95678,
-10012137,CCOc1ccc(NC(=O)CC(C)O)cc1,LIAWQASKBFCRNR-UHFFFAOYSA-N,223.120843404,1.7946999999999997,CCOc1ccc(NC(=O)CC(C)O)cc1,BUCETIN,0.90853,0.86735,0.88794,
-67825876,CCCC(=O)Nc1ncnc2c1ncn2C1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1OC(=O)CCC.[Na+],KRBZRVBLIUDQNG-DQUNWLBQSA-M,491.1181936059999,-1.9379999999999964,CCCC(=O)Nc1ncnc2c1ncn2C1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1OC(=O)CCC.[Na+],BUCLADESINE SODIUM,1.2382,1.1912,1.2147,
-17817607,CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@]2(C(=O)CO)O1,VOVIALXJUBGFJZ-NECQTEFJSA-N,430.2355388079999,2.7168000000000014,CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@]2(C(=O)CO)O1,BUDESONIDE,0.91776,1.1311,1.02443,
-46927055,CCCCOc1ccc(CC(=O)NO)cc1,MXJWRABVEGLYDG-UHFFFAOYSA-N,223.120843404,1.9134,CCCCOc1ccc(CC(=O)NO)cc1,BUFEXAMAC,1.0867,1.0975,1.0921,
-56382827,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,ZDPACSAHMZADFZ-UHFFFAOYSA-N,343.15503599199997,3.192900000000002,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,BUFLOMEDIL HYDROCHLORIDE,0.93118,0.98309,0.957135,
-99623470,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,MAEIEVLCKWDQJH-UHFFFAOYSA-N,364.10929274,3.036500000000001,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,BUMETANIDE,0.96338,0.98088,0.97213,
-81566695,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl,SIEYLFHKZGLBNX-UHFFFAOYSA-N,324.196841228,4.3183400000000045,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl,BUPIVACAINE HYDROCHLORIDE,1.2461,1.0133,1.1297,
-89706481,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,HEYVINCGKDONRU-UHFFFAOYSA-N,275.084369588,3.721100000000003,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,BUPROPION,1.1293,0.9603,1.0448,
-83412069,O=C(NCc1ccccc1)OCCO,YFLRYAVDPKONNX-UHFFFAOYSA-N,195.089543276,0.9051,O=C(NCc1ccccc1)OCCO,BURAMATE,0.90387,0.89608,0.899975,
-44266203,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,RICLFGYGYQXUFH-UHFFFAOYSA-N,421.22445294400006,2.5100000000000007,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,BUSPIRONE HYDROCHLORIDE,0.89131,0.90448,0.897895,
-77489252,COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(C)=O)C(OC(C)=O)[C@]7(C)C(/C(=C(/O)C(C)C)C(=O)O[C@H]7c7ccoc7)[C@@]6(O5)[C@H](OC(C)=O)[C@@]3(O)C2OC(=O)C(C)C)[C@]14C,KVAGRMDUXLYLAZ-PENVMUEESA-N,858.3310148880001,3.665600000000003,COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@]6(C7/C(=C(/O)C(C)C)C(=O)O[C@@H](c8ccoc8)[C@]7(C)C(OC(C)=O)[C@@H](OC(C)=O)[C@]6(O5)[C@]13C)[C@H](OC(C)=O)[C@@]4(O)C2OC(=O)C(C)C,BUSSEIN,1.0318,0.94804,0.98992,
-10053671,CS(=O)(=O)OCCCCOS(C)(=O)=O,COVZYZSDYWQREU-UHFFFAOYSA-N,246.023180168,-0.2809999999999997,CS(=O)(=O)OCCCCOS(C)(=O)=O,BUSULFAN,0.9585,1.0443,1.0014,
-75997482,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O,REAJXHWQEFYUCV-UHFFFAOYSA-N,404.19810774399986,3.0651,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O,BUTACAINE SULFATE,0.86546,0.85433,0.859895,
-60517684,CCCCOC(=O)c1ccc(N)cc1,IUWVALYLNVXWKX-UHFFFAOYSA-N,193.11027872,2.2257,CCCCOC(=O)c1ccc(N)cc1,BUTAMBEN,0.86499,1.1571,1.011045,
-75994645,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,LJBSAUIFGPSHCN-UHFFFAOYSA-N,353.19102757599995,6.191100000000006,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,BUTENAFINE HYDROCHLORIDE,0.92333,0.98545,0.95439,
-74855011,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,SWLMUYACZKCSHZ-UHFFFAOYSA-N,410.017802584,6.637000000000003,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,BUTOCONAZOLE,1.0659,0.92765,0.996775,
-73839634,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,OKIJSNGRQAOIGZ-UHFFFAOYSA-N,226.120509056,1.9816,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,BUTOPYRONOXYL,0.76812,0.9557,0.86191,
-39098436,CCCCOC(=O)c1ccc(O)cc1,QFOHBWFCKVYLES-UHFFFAOYSA-N,194.094294308,2.349100000000001,CCCCOC(=O)c1ccc(O)cc1,BUTYL PARABEN,0.91997,1.1881,1.054035,
-33658934,COc1ccc(O)c(C(C)(C)C)c1,MRBKEAMVRSLQPH-UHFFFAOYSA-N,180.115029752,2.6983000000000006,COc1ccc(O)c(C(C)(C)C)c1,BUTYLATED HYDROXYANISOLE,1.0241,1.1106,1.06735,
-70052720,Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,NLZUEZXRPGMBCV-UHFFFAOYSA-N,220.182715388,4.295620000000004,Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,BUTYLATED HYDROXYTOLUENE,1.0654,0.90901,0.987205,
-26656584,CO[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2OC,BMQGVNUXMIRLCK-FREYRPHJSA-N,835.377905504,4.567800000000003,CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)C2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@@]21C)C3(C)C,CABAZITAXEL,1.409,1.4827,1.44585,
-10458628,NCCCN.O=C(O)C(O)C(O)C(=O)O,LHAMHOYLSNNJQR-UHFFFAOYSA-N,224.100836232,-2.8286999999999973,NCCCN.O=C(O)C(O)C(O)C(=O)O,CADAVERINE TARTRATE,0.82582,0.95292,0.88937,
-10374767,CC1=CC2C(C(C)C)CCC(C)(O)C2CC1,LHYHMMRYTDARSZ-UHFFFAOYSA-N,222.198365452,3.7759000000000027,CC1=CC2C(C(C)C)CCC(C)(O)C2CC1,CADIN-4-EN-10-OL,1.09,1.0239,1.05695,
-31963816,O=C(O)/C=C/c1ccc(O)c(O)c1,QAIPRVGONGVQAS-UHFFFAOYSA-N,180.042258736,1.1956,O=C(O)/C=C/c1ccc(O)c(O)c1,CAFFEIC ACID,1.0628,1.035,1.0489,
-85860394,Cn1c(=O)c2c(ncn2C)n(C)c1=O,RYYVLZVUVIJVGH-UHFFFAOYSA-N,194.08037556,-1.0293,Cn1c(=O)c2c(ncn2C)n(C)c1=O,CAFFEINE,1.0816,0.79884,0.94022,
-38616751,Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O,XXSSHQCOBPQFOL-UHFFFAOYSA-N,274.006537692,-0.4514,Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O,CAFFEINE HYDROBROMIDE,0.82783,0.89729,0.86256,
-11323708,Cl[Ca]Cl,UXVMQQNJUSDDNG-UHFFFAOYSA-L,109.90029634,0.9982,Cl[Ca]Cl,CALCIUM CHLORIDE,1.1907,1.128,1.15935,
-73854116,O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[Ca+2],FATUQANACHZLRT-AAONGDSNSA-L,490.0846757319998,-11.314600000000006,O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[Ca+2],CALCIUM GLUCEPTATE,1.256,1.2474,1.2517,
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-81892071,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+],AZZMGZXNTDTSME-BWTUWSSMSA-M,477.0388841320001,-4.953199999999996,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+],CEFOTAXIME SODIUM,0.15414,0.16837,0.161255,
-57414871,CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21,SRZNHPXWXCNNDU-PGEKIEPBSA-N,575.0021445040002,-1.3974999999999984,CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21,CEFOTETAN,0.3002,0.33029,0.315245,
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-98153371,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+],VUFGUVLLDPOSBC-XRZFDKQNSA-M,418.02692248000005,-3.738399999999995,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+],CEPHALOTHIN SODIUM,0.9252,0.98316,0.95418,
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-58673161,O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+],NWAPYWBKEFRREH-UHFFFAOYSA-M,372.88817092000005,-1.5469,O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+],CHINIOFON,0.2475,0.43796,0.34273,
-32229072,OCC(O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O,OJYGBLRPYBAHRT-YCNXOVPFSA-N,307.962121112,-0.46290000000000026,OCC(O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O,CHLORALOSE,1.0873,1.0536,1.07045,
-17774388,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,JCKYGMPEJWAADB-UHFFFAOYSA-N,303.07928420800005,3.377900000000002,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,CHLORAMBUCIL,0.83953,1.0435,0.941515,
-46242811,Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+],VDQQXEISLMTGAB-UHFFFAOYSA-N,226.978371424,-0.78478,Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+],CHLORAMINE-T,0.85452,0.86361,0.859065,
-32691200,O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,WIIZWVCIJKGZOK-DTWKUNHWSA-N,322.01232684400003,0.9089999999999998,O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,CHLORAMPHENICOL,0.42874,0.56028,0.49451,
-80500999,O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+],RPLOPBHEZLFENN-HTMVYDOJSA-M,444.01031508,-3.0059999999999967,O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+],CHLORAMPHENICOL SODIUM SUCCINATE,0.84552,1.1709,1.00821,
-11215129,Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1,UYCMHUVQSSDLAM-UHFFFAOYSA-N,257.023500648,2.2725999999999997,Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1,CHLORAZANIL HYDROCHLORIDE,1.1732,1.1162,1.1447,
-96854074,Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,WJLVQTJZDCGNJN-UHFFFAOYSA-N,576.1565517440001,5.018880000000002,Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,CHLORHEXIDINE DIHYDROCHLORIDE,0.14853,0.16553,0.15703,
-10147435,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1,NJDUWAXIURWWLN-UHFFFAOYSA-N,256.029107208,3.5028000000000024,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1,CHLORINDIONE,0.91704,0.91145,0.914245,
-46489162,CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,QMBJSIBWORFWQT-GDMUWPLKSA-N,404.175437088,4.751700000000005,CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,CHLORMADINONE ACETATE,1.0906,1.0605,1.07555,
-10030807,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,WEQAYVWKMWHEJO-UHFFFAOYSA-N,273.022641924,1.6155000000000002,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,CHLORMEZANONE,1.0462,1.3704,1.2083,
-10365440,Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,WNAQOLSMVPFGTE-UHFFFAOYSA-N,256.076726096,4.046420000000003,Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,CHLORMIDAZOLE,0.13171,0.1576,0.144655,
-92347575,CC(=O)Oc1ccc(Cl)c2cccnc12,JSJOTZXJKCXWQC-UHFFFAOYSA-N,221.024356176,2.8135000000000003,CC(=O)Oc1ccc(Cl)c2cccnc12,CHLOROACETOXYQUINOLINE,0.17521,0.20403,0.18962,
-39109651,CC(C)(O)C(Cl)(Cl)Cl,OSASVXMJTNOKOY-UHFFFAOYSA-N,175.956247884,2.127500000000001,CC(C)(O)C(Cl)(Cl)Cl,CHLOROBUTANOL,1.1404,1.052,1.0962,
-72262359,Cc1cc(O)ccc1Cl,CFKMVGJGLGKFKI-UHFFFAOYSA-N,142.018542524,2.3540200000000002,Cc1cc(O)ccc1Cl,CHLOROCRESOL,0.81746,0.94814,0.8828,
-23641256,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,CWVRJTMFETXNAD-NCZKRNLISA-N,354.09508215599993,-0.6459000000000001,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,CHLOROGENIC ACID,0.92872,0.92196,0.92534,
-72593162,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,SARMGXPVOFNNNG-UHFFFAOYSA-N,289.086100904,2.6308399999999996,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,CHLOROGUANIDE HYDROCHLORIDE,1.0739,1.0031,1.0385,
-58111131,CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl,VEYWWAGBHABATA-UHFFFAOYSA-N,325.11125303200004,3.7250000000000028,CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl,CHLOROPYRAMINE HYDROCHLORIDE,1.1886,1.1245,1.15655,
-59552918,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,QKICWELGRMTQCR-UHFFFAOYSA-N,515.1353159239998,2.9534000000000047,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,CHLOROQUINE DIPHOSPHATE,1.1481,1.1467,1.1474,
-41869868,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,CRQQGFGUEAVUIL-UHFFFAOYSA-N,263.88155872,4.04356,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,CHLOROTHALONIL,1.0846,1.0846,1.0846,
-59373950,Oc1c(Cl)cc(Cl)c2cccnc12,WDFKMLRRRCGAKS-UHFFFAOYSA-N,212.97481914,3.2472000000000003,Oc1c(Cl)cc(Cl)c2cccnc12,CHLOROXINE,0.5019,0.6397,0.5708,
-60630685,Cc1cc(O)cc(C)c1Cl,OSDLLIBGSJNGJE-UHFFFAOYSA-N,156.034192588,2.662440000000001,Cc1cc(O)cc(C)c1Cl,CHLOROXYLENOL,0.14815,0.16391,0.15603,
-33567245,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,DBAKFASWICGISY-UHFFFAOYSA-N,390.1346348959999,3.5304,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,CHLORPHENIRAMINE MALEATE,0.86398,0.96181,0.912895,
-19836146,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,FBSMERQALIEGJT-UHFFFAOYSA-N,354.072425,5.316200000000005,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,CHLORPROMAZINE HYDROCHLORIDE,0.59373,0.6613,0.627515,
-43029004,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,RKWGIWYCVPQPMF-UHFFFAOYSA-N,276.033540956,1.7379,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CHLORPROPAMIDE,1.1512,1.4524,1.3018,
-55723416,CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21.Cl,YWKRLOSRDGPEJR-UHFFFAOYSA-N,351.061525968,5.609800000000004,CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21.Cl,CHLORPROTHIXENE HYDROCHLORIDE,0.84147,0.8604,0.850935,
-60376332,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,SBPBAQFWLVIOKP-UHFFFAOYSA-N,348.926283882,4.718100000000002,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,CHLORPYRIFOS,1.035,1.0819,1.05845,
-50963841,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,GPTXWRGISTZRIO-UHFFFAOYSA-N,226.990469204,3.5556200000000016,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,CHLORQUINALDOL,1.4823,1.1426,1.31245,
-43067229,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl,CBHYYLPALVVVEY-MRFRVZCGSA-N,514.090971088,0.8608000000000005,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl,CHLORTETRACYCLINE HYDROCHLORIDE,0.15791,0.18434,0.171125,
-81574430,NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,JIVPVXMEBJLZRO-UHFFFAOYSA-N,338.012805512,0.9242000000000001,NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,CHLORTHALIDONE,0.97012,1.464,1.21706,
-37688398,O=c1[nH]c2cc(Cl)ccc2o1,TZFWDZFKRBELIQ-UHFFFAOYSA-N,168.993056048,1.7745,O=c1[nH]c2cc(Cl)ccc2o1,CHLORZOXAZONE,0.63845,0.70641,0.67243,
-62139221,C=C1CC[C@H](O)C/C1=C/C=C1\CCCC2(C)C1CCC2C(C)CCCC(C)C,QYSXJUFSXHHAJI-PAVZAANLSA-N,384.339216028,7.619000000000008,C=C1CC[C@H](O)C/C1=C/C=C1\CCCC2(C)C1CCC2C(C)CCCC(C)C,CHOLECALCIFEROL,1.6672,1.0129,1.34005,
-60417923,CC(C)CCCC(C)[C@H]1CCC2C3CC=C4CC(=O)CC[C@]4(C)C3CC[C@@]21C,GGCLNOIGPMGLDB-IVFFKYSXSA-N,384.339216028,7.596900000000009,CC(C)CCCC(C)[C@H]1CCC2C3CC=C4CC(=O)CC[C@]4(C)C3CC[C@@]21C,CHOLEST-5-EN-3-ONE,1.6439,1.0934,1.36865,
-45203194,CC(C)CCCC(C)C1CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C,PESKGJQREUXSRR-GTMPCABPSA-N,386.354866092,7.676800000000009,CC(C)CCCC(C)C1CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C,CHOLESTAN-3-ONE,1.0007,0.96131,0.981005,
-11479390,CC(C)CCCC(C)C1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,YMMFNKXZULYSOQ-QETVQNBESA-N,420.36034539599996,5.554300000000007,CC(C)CCCC(C)C1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"CHOLESTAN-3beta,5alpha,6beta-TRIOL",1.0744,1.0781,1.07625,
-10286173,CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C,HVYWMOMLDIMFJA-RJLWFLQPSA-N,386.354866092,7.388700000000009,CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C,CHOLESTEROL,1.0443,0.93335,0.988825,
-64760463,CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C2CC[C@@]2(C)C3CC[C@@H]2C(C)CCCC(C)C)C1,XUGISPSHIFXEHZ-UKFXPFHUSA-N,428.365430776,7.95950000000001,CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C2CC[C@@]2(C)C3CC[C@@H]2C(C)CCCC(C)C)C1,CHOLESTERYL ACETATE,0.90651,1.0198,0.963155,
-98683000,CC(CCC(=O)O)C1CC[C@H]2C3[C@H](O)C[C@@H]4C[C@H](O)CCC4(C)[C@H]3C[C@H](O)C12C,BHQCQFFYRZLCQQ-WVWOBNCHSA-N,408.2875743799999,3.4487000000000028,CC(CCC(=O)O)C1CC[C@H]2C3[C@H](C[C@H](O)C12C)C1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHOLIC ACID,1.1876,1.222,1.2048,
-11482990,C[N+](C)(C)CCO.[Cl-],SGMZJAMFUVOLNK-UHFFFAOYSA-M,139.076391748,-3.3110999999999975,C[N+](C)(C)CCO.[Cl-],CHOLINE CHLORIDE,1.2158,1.1191,1.16745,
-16050472,O=C(O)c1cc(=O)c2ccccc2o1,RVMGXWBCQGAWBR-UHFFFAOYSA-N,190.026608672,1.4911999999999999,O=C(O)c1cc(=O)c2ccccc2o1,CHROMOCARB,1.201,1.2574,1.2292,
-69842031,CC(C)=CC1C(C(=O)O)C1(C)C,XLOPRKKSAJMMEW-UHFFFAOYSA-N,168.115029752,2.3094,CC(C)=CC1C(C(=O)O)C1(C)C,CHRYSANTHEMIC ACID,0.91514,0.89895,0.907045,
-92393816,CCOC(=O)C1C(C=C(C)C)C1(C)C,VIMXTGUGWLAOFZ-UHFFFAOYSA-N,196.14632988,2.7879000000000014,CCOC(=O)C1C(C=C(C)C)C1(C)C,"CHRYSANTHEMIC ACID, ETHYL ESTER",0.98372,1.0064,0.99506,
-67109982,Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O,ZZBWSNKBZKPGAK-UHFFFAOYSA-N,240.078644244,2.541420000000001,Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O,CHRYSAROBIN,0.88701,0.90864,0.897825,
-55064007,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,RTIXKCRFFJGDFG-UHFFFAOYSA-N,254.0579088,2.8712000000000013,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,CHRYSIN,0.99929,1.0315,1.015395,
-11221748,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,JRFZSUMZAUHNSL-UHFFFAOYSA-N,282.089208928,3.4772000000000025,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,CHRYSIN DIMETHYL ETHER,0.91756,1.2728,1.09518,
-53910314,Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,LQGUBLBATBMXHT-UHFFFAOYSA-N,254.0579088,2.18162,Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,CHRYSOPHANOL,0.77227,0.86573,0.819,
-90144891,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,PFTAWBLQPZVEMU-DZGCQCFKSA-N,290.079038168,1.5460999999999998,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,CIANIDANOL [+-catechin],0.95987,0.92062,0.940245,
-46309097,Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,MBRHNTMUYWQHMR-UHFFFAOYSA-N,268.178692628,1.3791199999999995,Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,CICLOPIROX OLAMINE,0.14439,0.17059,0.15749,
-16522743,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1,KJEBULYHNRNJTE-UHFFFAOYSA-N,492.189651236,4.275800000000004,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1,CILNIDIPINE,1.4687,1.713,1.59085,
-89656318,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,RRGUKTPIGVIEKM-UHFFFAOYSA-N,369.21647510400004,3.4647000000000014,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,CILOSTAZOL,0.86678,0.87002,0.8684,
-80946631,CN/C(=N\C#N)NCCSCc1nc[nH]c1C,AQIXAKUUQRKLND-UHFFFAOYSA-N,252.11571551199998,0.5973999999999997,CN/C(=N\C#N)NCCSCc1nc[nH]c1C,CIMETIDINE,1.2561,0.94851,1.102305,
-99682565,C[C@H](CC(=O)C1OC1(C)C)[C@H]1C(=O)C[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35[C@@H](O)C[C@]12C,PYBFXJMIKJNNAJ-ORUQLYNUSA-N,616.3611332439998,3.0923000000000007,C[C@H](CC(=O)C1OC1(C)C)[C@H]1C(=O)C[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35[C@@H](O)C[C@]12C,CIMICIFUGOSIDE H1,0.9961,0.98333,0.989715,
-47889645,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl,QANQWUQOEJZMLL-PKLMIRHRSA-N,393.147112076,6.563800000000006,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl,CINACALCET HYDROCHLORIDE,0.14939,0.16851,0.15895,
-61928155,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12,KMPWYEUPVWOPIM-KODHJQJWSA-N,294.17321332399996,3.164600000000002,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12,CINCHONIDINE,0.8791,0.82761,0.853355,
-22981541,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12,KMPWYEUPVWOPIM-YXUGBTPSSA-N,294.17321332399996,3.164600000000002,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12,CINCHONINE,1.1163,0.85491,0.985605,
-38483943,O=C(O)c1cc(-c2ccccc2)nc2ccccc12,YTRMTPPVNRALON-UHFFFAOYSA-N,249.078978592,3.6000000000000014,O=C(O)c1cc(-c2ccccc2)nc2ccccc12,CINCHOPHEN,0.93615,0.89597,0.91606,
-54183288,C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\Cc1ccccc1,SSKFWBSXNIWCBH-UHFFFAOYSA-N,368.225248896,5.150000000000005,C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\Cc1ccccc1,CINNARAZINE,0.9561,0.85269,0.904395,
-62915912,COc1cc(/C=C/C(=O)N2CCCCCCC2)cc(OC)c1OC,MDGVCMGGLSOVIQ-UHFFFAOYSA-N,333.194008344,3.5183000000000026,COc1cc(/C=C/C(=O)N2CCCCCCC2)cc(OC)c1OC,CINOCTRAMIDE,0.97646,1.0198,0.99813,
-54985976,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,VDUWPHTZYNWKRN-UHFFFAOYSA-N,262.05897142000003,0.8432999999999997,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,CINOXACIN,0.1529,0.18145,0.167175,
-30259637,CCNC(=O)/C=C/c1cccc(Br)c1,LDCXGZCEMNMWIL-UHFFFAOYSA-N,253.010226104,2.5984000000000007,CCNC(=O)/C=C/c1cccc(Br)c1,CINROMIDE,1.0781,1.0414,1.05975,
-41641249,COc1cc(/C=C/C(N)=O)cc(OC)c1OC,LRLKZVMLJBNNPE-UHFFFAOYSA-N,237.10010796,1.2109,COc1cc(/C=C/C(N)=O)cc(OC)c1OC,CINTRIAMIDE,0.98571,0.88727,0.93649,
-32619913,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,KPSRODZRAIWAKH-UHFFFAOYSA-N,288.03199966799997,3.589800000000003,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,CIPROFIBRATE,1.2623,1.3691,1.3157,
-59856225,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,MYSWGUAQZAJSOK-UHFFFAOYSA-N,331.13321965599994,1.5833,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,CIPROFLOXACIN,0.15879,0.1803,0.169545,
-35185338,Cl[Pt]Cl.N.N,LXZZYRPGZAFOLE-UHFFFAOYSA-L,298.95559465200006,1.7004999999999997,Cl[Pt]Cl.N.N,CISPLATIN,0.97601,0.83289,0.90445,
-89393072,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,WIHMBLDNRMIGDW-UHFFFAOYSA-N,404.089953644,4.390880000000004,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CITALOPRAM HYDROBROMIDE,1.2539,1.0263,1.1401,
-85571421,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@@H]1O,RZZPDXZPRHQOCG-INCVAACISA-N,488.10733091199995,-2.2304999999999957,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@@H]1O,CITICOLINE,1.0575,0.89642,0.97696,
-86262088,CC(=O)NC1CCSC1=O,NRFJZTXWLKPZAV-UHFFFAOYSA-N,159.035399528,0.15460000000000013,CC(=O)NC1CCSC1=O,CITIOLONE,0.96164,0.87954,0.92059,
-52102449,O=C(O)CC(O)(CC(=O)O)C(=O)O,KRKNYBCHXYNGOX-UHFFFAOYSA-N,192.02700259600002,-1.2484999999999995,O=C(O)CC(O)(CC(=O)O)C(=O)O,CITRIC ACID,0.97478,0.94951,0.962145,
-53136951,CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(=O)O)C1=O,CQIUKKVOEOPUDV-IYSWYEEDSA-N,250.084123548,1.721,CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(=O)O)C1=O,CITRININ,0.86143,0.82529,0.84336,
-10001745,CC(C)=CCC[C@@H](C)CC=O,NEHNMFOYXAPHSD-SNVBAGLBSA-N,154.135765196,2.9579000000000013,CC(C)=CCC[C@@H](C)CC=O,CITRONELLAL (R+),0.95148,0.93742,0.94445,
-87944816,COc1cc(OC)c2ccc(=O)oc2c1,NXJCRELRQHZBQA-UHFFFAOYSA-N,206.0579088,1.8102,COc1cc(OC)c2ccc(=O)oc2c1,CITROPTEN,0.70226,0.83422,0.76824,
-85334239,NC(=O)NCCC[C@H](N)C(=O)O,RHGKLRLOHDJJDR-BYPYZUCNSA-N,175.095691276,-1.1531999999999993,NC(=O)NCCC[C@H](N)C(=O)O,CITRULLINE,0.8786,0.95894,0.91877,
-31212175,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,AGOYDEPGAOXOCK-KCBOHYOISA-N,747.476891268,2.439700000000004,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,CLARITHROMYCIN,0.17893,0.15527,0.1671,
-12625224,O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[LiH],TZEKKJSZIPSHNY-GPJOBVNKSA-N,207.07190197,-1.7441000000000002,O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[LiH],CLAVULANATE LITHIUM,0.14956,0.17566,0.16261,
-21809381,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O,PMGQWSIVQFOFOQ-MUCZFFFMSA-N,459.1812507399999,4.816200000000003,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O,CLEMASTINE FUMARATE,1.0192,1.2054,1.1123,
-84238546,Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,DNFMJYXRIMLMBZ-UHFFFAOYSA-N,361.11125303200004,4.755600000000004,Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,CLEMIZOLE HYDROCHLORIDE,0.77329,0.81537,0.79433,
-61381080,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl,OPXKTCUYRHXSBK-UHFFFAOYSA-N,312.056296268,3.418900000000001,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl,CLENBUTEROL HYDROCHLORIDE,1.1544,1.2787,1.21655,
-68656276,C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@@]1(C)CC1OC(O)C(=O)[C@]12CO2,TYEWCIUNKYTNGK-ISJFFHDNSA-N,348.1936739959999,2.4096,C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@@]1(C)CC1OC(O)C(=O)[C@]12CO2,"CLEROCIDIN
-equilibrates in solution between monomer and dimer [links*]",0.12618,0.16742,0.1468,
-36247901,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],GKEGFOKQMZHVOW-UHFFFAOYSA-M,431.109605792,-0.291499999999999,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],CLIDINIUM BROMIDE,0.8444,1.0682,0.9563,
-68186255,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,OWEGWHBOCFMBLP-UHFFFAOYSA-N,292.097855464,3.729300000000002,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,CLIMBAZOLE,0.95583,1.1148,1.035315,
-52044757,Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,BMACYHMTJHBPOX-UHFFFAOYSA-N,401.070925016,2.7863000000000016,Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,CLINAFOXACIN HYDROCHLORIDE,0.13331,0.15598,0.144645,
-14715171,CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1.Cl,AUODDLQVRAJAJM-PTTDBYGSSA-N,460.156548548,0.8112999999999999,CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1.Cl,CLINDAMYCIN HYDROCHLORIDE,0.44364,0.53504,0.48934,
-25959006,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)C([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl,GTNDZRUWKHDICY-MHBVHFIZSA-N,698.3862141280001,6.843500000000008,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)C([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl,CLINDAMYCIN PALMITATE HYDROCHLORIDE,0.838,0.81866,0.82833,
-19174112,Oc1c(I)cc(Cl)c2cccnc12,QCDFBFJGMNKBDO-UHFFFAOYSA-N,304.9104394600001,3.1984000000000004,Oc1c(I)cc(Cl)c2cccnc12,CLIOQUINOL,0.57861,0.76386,0.671235,
-82084184,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CBGUOGMQLZIXBE-BHPVMOEKSA-N,466.19223002399997,4.103100000000003,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CLOBETASOL PROPIONATE,0.90272,0.98214,0.94243,
-71593568,CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,WDQPAMHFFCXSNU-UHFFFAOYSA-N,472.12215206400003,7.489800000000005,CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,CLOFAZIMINE,1.0314,1.0587,1.04505,
-11459695,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,KNHUKKLJHYUCFP-UHFFFAOYSA-N,242.07097202,3.060500000000001,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,CLOFIBRATE,1.223,1.3055,1.26425,
-77171639,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,TXCGAZHTZHNUAI-UHFFFAOYSA-N,214.039671892,2.582,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,CLOFIBRIC ACID,1.1796,1.121,1.1503,
-56824688,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,HQVZOORKDNCGCK-UHFFFAOYSA-N,364.13607081199996,7.003600000000006,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,CLOFOCTOL,1.5542,1.6947,1.62445,
-58751177,CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,PYTMYKVIJXPNBD-UHFFFAOYSA-N,597.2129447919999,5.314100000000005,CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CLOMIPHENE CITRATE,0.61455,0.76147,0.68801,
-76885418,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,WIMWMKZEIBHDTH-UHFFFAOYSA-N,350.131654128,4.950200000000005,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,CLOMIPRAMINE HYDROCHLORIDE,0.9345,1.2695,1.102,
-41402478,Cl.Clc1cccc(Cl)c1N=C1NCCN1,ZNIFSRGNXRYGHF-UHFFFAOYSA-N,264.99403036,2.5955000000000004,Cl.Clc1cccc(Cl)c1N=C1NCCN1,CLONIDINE HYDROCHLORIDE,1.0379,1.1469,1.0924,
-99131124,Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,CLOMYZFHNHFSIQ-UHFFFAOYSA-N,262.050905272,3.485220000000001,Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,CLONIXIN,0.97285,0.80697,0.88991,
-34426411,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,UNPLRYRWJLTVAE-UHFFFAOYSA-N,365.13131978,5.353700000000005,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,CLOPERASTINE HYDROCHLORIDE,0.78707,0.852,0.819535,
-17439722,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O,FDEODCTUSIWGLK-RSAXXLAASA-N,419.02640697599986,3.0211000000000006,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O,CLOPIDOGREL SULFATE,1.2881,1.0392,1.16365,
-89120876,Cc1nc(C)c(Cl)c(O)c1Cl,ZDPIZLCVJAAHHR-UHFFFAOYSA-N,190.990469204,2.7108400000000015,Cc1nc(C)c(Cl)c(O)c1Cl,CLOPIDOL,0.77448,0.88627,0.830375,
-73478996,C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl,BBAZDLONIUABKI-UHFFFAOYSA-N,307.029747172,3.7491000000000034,C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl,CLORGILINE HYDROCHLORIDE,0.83936,0.87601,0.857685,
-10082645,Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,QOVTVIYTBRHADL-UHFFFAOYSA-N,378.90218077599997,0.9060999999999999,Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CLORSULON,1.3236,1.1829,1.25325,
-68502508,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,JMPFSEBWVLAJKM-UHFFFAOYSA-N,661.852179048,7.124400000000003,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,CLOSANTEL,1.5238,1.2944,1.4091,
-73398722,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,VNFPBHJOKIVQEB-UHFFFAOYSA-N,344.10802622400007,5.376700000000004,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CLOTRIMAZOLE,2.0539,1.8444,1.94915,
-92565249,Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].[Na+],SCLZRKVZRBKZCR-SLINCCQESA-M,457.047513604,-1.7819799999999968,Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+],CLOXACILLIN SODIUM,0.93509,1.1364,1.035745,
-77595738,Oc1ccc(Cl)c2cccnc12,CTQMJYWDVABFRZ-UHFFFAOYSA-N,179.013791492,2.5938000000000008,Oc1ccc(Cl)c2cccnc12,CLOXYQUIN,0.16469,0.19928,0.181985,
-11296864,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,QZUDBNBUXVUHMW-UHFFFAOYSA-N,326.129824288,3.7227000000000023,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CLOZAPINE,0.98261,0.8505,0.916555,
-69860897,COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2,PRGILOMAMBLWNG-HNNXBMFYSA-N,385.15253745600006,2.568600000000001,COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2,COLCHICEINE,1.0107,0.97976,0.99523,
-89141052,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,IAKHMKGGTNLKSZ-INIZCTEOSA-N,399.16818752,2.871600000000001,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,COLCHICINE,1.2948,0.97457,1.134685,
-15443243,CCCCCCCCCCNCCC.CCCN.CCCNCCCCCC[N+](C)(C)C.ClCC1CO1,XNOCJXKFGRIXTK-UHFFFAOYSA-N,551.53891702409,7.358400000000008,CCCCCCCCCCNCCC.CCCN.CCCNCCCCCC[N+](C)(C)C.ClCC1CO1,COLESEVALAM HYDROCHLORIDE (high mol wt copolymer @ 5mg/ml),1.0578,1.0556,1.0567,
-11405331,C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)C1C(C)(C)CC[C@H](O)[C@@]12C,OHCQJHSOBUTRHG-VDCUXWMXSA-N,410.230453428,1.5198999999999987,C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)C1C(C)(C)CC[C@H](O)[C@@]12C,COLFORSIN,0.87183,0.91101,0.89142,
-16794485,CCC(C)C1NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(C(C)CC)NC1=O.[Na+].[Na+].[Na+].[Na+].[Na+],LYQBWQQPMNCRCJ-UHFFFAOYSA-I,1734.521973055999,-25.143500000000042,CCC(C)C1NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(C(C)CC)NC1=O.[Na+].[Na+].[Na+].[Na+].[Na+],COLISTIMETHATE SODIUM,0.14373,0.17253,0.15813,
-32780990,CCC(C)C1NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C(C)CC)NC1=O.O=S(=O)(O)O.O=S(=O)(O)O,GQOWKFKFLXZQFI-UHFFFAOYSA-N,1350.684686283999,-7.137099999999984,CCC(C)C1NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C(C)CC)NC1=O.O=S(=O)(O)O.O=S(=O)(O)O,COLISTIN SULFATE,0.12177,0.14595,0.13386,
-32047142,C[C@H]1[C@H]2CCC3C4CC=C5C[C@@H](N(C)C)CC[C@]5(C)C4CC[C@@]32CN1C,GPLGAQQQNWMVMM-YHQZIGKZSA-N,356.31914928,4.809600000000005,C[C@H]1[C@H]2CCC3C4CC=C5C[C@@H](N(C)C)CC[C@]5(C)C4CC[C@@]32CN1C,CONESSINE,1.1443,1.2072,1.17575,
-93880934,C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,HULMNSIAKWANQO-OKPGQIJDSA-N,550.2777975439999,0.75,C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,CONVALLATOXIN,1.1188,1.1021,1.11045,
-90077226,C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@]2(O)C(=O)CO,WHBHBVVOGNECLV-RCSFYLKVSA-N,346.21440943999994,2.810800000000001,C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)CO,CORTEXOLONE,0.93577,1.0031,0.969435,
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-72766875,Cc1c2oc3c(C)ccc(C(=O)OC(C)C4NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)c3nc-2c(C(=O)OC(C)C2NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(C(C)C)NC2=O)c(N)c1=O,QKRYGAZNLBVXHK-UHFFFAOYSA-N,1254.6284746719996,0.725640000000003,Cc1c2oc3c(C)ccc(C(=O)OC(C)C4NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)c3nc-2c(C(=O)OC(C)C2NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(C(C)C)NC2=O)c(N)c1=O,DACTINOMYCIN,0.1432,0.20167,0.172435,
-60740184,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,ZQSIJRDFPHDXIC-UHFFFAOYSA-N,254.0579088,2.871200000000001,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,DAIDZEIN,1.1416,0.91711,1.029355,
-15102326,C=CC(C1=CC(=O)C=CC1=O)c1ccccc1,GHCDJBVCFINEBQ-UHFFFAOYSA-N,224.083729624,2.590600000000001,C=CC(C1=CC(=O)C=CC1=O)c1ccccc1,DALBERGIONE,1.0358,0.92552,0.98066,
-95280717,C#C[C@]1(O)CCC2C3CCC4=Cc5oncc5C[C@]4(C)C3CC[C@@]21C,POZRVZJJTULAOH-GSQPBCFPSA-N,337.20417910400005,4.221000000000004,C#C[C@]1(O)CCC2C3CCC4=Cc5oncc5C[C@]4(C)C3CC[C@@]21C,DANAZOL,1.1734,1.0647,1.11905,
-12015768,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,QBPFLULOKWLNNW-UHFFFAOYSA-N,240.042258736,1.873199999999999,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,DANTHRON,1.2483,0.95073,1.099515,
-32663544,O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],KSRLIXGNPXAZHD-UHFFFAOYSA-M,336.047063668,-0.47140000000000026,O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],DANTROLENE SODIUM,1.0392,0.85893,0.949065,
-10990854,CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,JVHXJTBJCFBINQ-ADAARDCZSA-N,408.1339662,1.8443999999999996,CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,DAPAGLIFLOZIN,1.0731,0.97729,1.025195,
-90152304,CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.Cl,IHWDIQRWYNMKFM-BDQAORGHSA-N,341.154642068,5.3334000000000055,CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.Cl,DAPOXETINE HYDROCHLORIDE,0.59723,0.42907,0.51315,
-14836842,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,MQJKPEGWNLWLTK-UHFFFAOYSA-N,248.061948624,1.6838000000000002,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,DAPSONE,1.0258,1.0468,1.0363,
-33905076,Br.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)C1,UQAVIASOPREUIT-UHFFFAOYSA-N,506.15689033200005,4.535400000000004,Br.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)C1,DARIFENACIN HYDROBROMIDE,1.0425,0.91593,0.979215,
-57294144,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl,GUGHGUXZJWAIAS-QQYBVWGSSA-N,563.1558238399999,1.4506999999999997,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl,DAUNORUBICIN HYDROCHLORIDE,0.53303,0.59165,0.56234,
-22476913,CC1(C)C(=O)C=C[C@@]2(C)C1CC(=O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,PMISPNORJONCHB-DKBZVKCESA-N,438.2042386799999,4.198100000000003,CC1(C)C(=O)C=C[C@@]2(C)C1CC(=O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,DEACETOXY-7-OXOGEDUNIN,0.91758,0.99513,0.956355,
-98032624,CC1(C)C(=O)C=C[C@@]2(C)C1C[C@@H](O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,HCEYJYMNIQHPPK-NIANHESQSA-N,440.2198887439999,3.989900000000003,CC1(C)C(=O)C=C[C@@]2(C)C1C[C@@H](O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,DEACETYLGEDUNIN,0.93378,1.106,1.01989,
-32482201,N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O,SVYNLIRHKQCPNE-UHFFFAOYSA-N,273.07832696,0.2853699999999998,N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O,DEBRISOQUIN SULFATE,0.84869,1.0087,0.928695,
-54659231,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-],HLXQFVXURMXRPU-UHFFFAOYSA-L,416.1401734159999,-2.4723999999999915,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-],DECAMETHONIUM BROMIDE,1.0776,0.91276,0.99518,
-64382489,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,JHAYEQICABJSTP-UHFFFAOYSA-N,417.25152322,6.035300000000007,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,DECOQUINATE [5mM],1.9394,1.0453,1.49235,
-38993215,O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,BOFQWVMAQOTZIW-UHFFFAOYSA-N,373.10625596,3.710700000000001,O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,DEFERASIROX ,1.1474,1.1609,1.15415,
-67614997,Cc1c(O)c(=O)ccn1C,TZXKOCQBRNJULO-UHFFFAOYSA-N,139.063328528,0.39931999999999984,Cc1c(O)c(=O)ccn1C,DEFERIPRONE,0.83368,0.80943,0.821555,
-61753075,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,IDDIJAWJANBQLJ-UHFFFAOYSA-N,656.3414774840002,0.42610000000000686,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,DEFEROXAMINE MESYLATE,1.0123,0.95408,0.98319,
-91913815,CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]12C,FBHSPRKOSMHSIF-JEHHHYCTSA-N,441.21513771199994,2.5632,CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]12C,DEFLAZACORT,0.97519,0.88603,0.93061,
-65490291,COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4,ORDAZKGHSNRHTD-UXHICEINSA-N,394.14163842399995,4.007900000000003,COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4,DEGUELIN(-),1.3997,1.56,1.47985,
-12460091,CC(=O)C1C(=O)C=C(C)OC1=O,PGRHXDWITVMQBC-UHFFFAOYSA-N,168.042258736,0.22130000000000005,CC(=O)C1C(=O)C=C(C)OC1=O,DEHYDROACETIC ACID,0.87125,0.99879,0.93502,
-39651250,C[C@H](CCC(=O)[O-])[C@H]1CCC2C3C(=O)CC4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C.[Na+],FKJIJBSJQSMPTI-FHVQCLKSSA-M,424.222568436,-0.25739999999999585,C[C@H](CCC(=O)[O-])[C@H]1CCC2C3C(=O)CC4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C.[Na+],DEHYDROCHOLATE SODIUM,1.1777,1.0713,1.1245,
-87842852,CC(CCC(=O)O)[C@H]1CCC2C3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C,OHXPGWPVLFPUSM-IWYXHJQRSA-N,402.24062418799997,4.073300000000003,CC(CCC(=O)O)[C@H]1CCC2C3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C,DEHYDROCHOLIC ACID,0.93604,0.99867,0.967355,
-25498093,COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2,NGQVFILFHVPLFE-UHFFFAOYSA-N,392.12598835999995,4.553800000000004,COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2,DEHYDRODEGUELIN,1.0462,1.2466,1.1464,
-11221809,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,GFERNZCCTZEIET-UHFFFAOYSA-N,392.1259883599999,4.249200000000004,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,DEHYDROROTENONE,1.2415,1.2134,1.22745,
-41189161,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,FLEXCYTURSFUNC-UHFFFAOYSA-N,282.089208928,4.009400000000002,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,DEHYDROVARIABILIN,1.0375,1.0437,1.0406,
-69333430,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl,FDJCVHVKXFIEPJ-JCNFZFLDSA-N,488.207799836,3.031400000000002,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl,DELAPRIL HYDROCHLORIDE,0.84176,1.003,0.92238,
-29460056,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl,GVSJQNRGSCOSNJ-KBHRXELFSA-N,500.07532102399995,0.6867000000000003,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl,DEMECLOCYCLINE HYDROCHLORIDE,0.15388,0.17951,0.166695,
-42997183,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC,DOFJNFPSMUCECH-UHFFFAOYSA-N,388.11581759999996,3.2086000000000023,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC,DEMETHYLNOBILETIN,1.0681,1.139,1.10355,
-54566286,CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1,VWTINHYPRWEBQY-UHFFFAOYSA-N,446.25694294799996,4.348840000000004,CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1,DENATONIUM BENZOATE,1.1226,1.0996,1.1111,
-20891235,CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C,KXGVEGMKQFWNSR-XBEHKFBISA-N,392.29265975999994,4.477900000000005,CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C,DEOXYCHOLIC ACID,0.99035,1.0883,1.039325,
-45163633,CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@@]21C,VOUDTVRGPAGHGA-OMRKLITNSA-N,466.2355388079999,5.349500000000006,CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@@]21C,DEOXYGEDUNIN,1.0467,1.2269,1.1368,
-51748648,CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)C2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@]21C,SUQFMFHTLHMZNM-SLBLICBISA-N,570.282882924,5.477700000000007,CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)C2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@]21C,DEOXYKHIVORIN,0.88975,0.9967,0.943225,
-89474911,COc1ccc2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O,OFAYBXSZQCUARK-UHFFFAOYSA-N,314.115423676,2.843400000000001,COc1ccc2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O,"DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER",0.90611,0.85786,0.881985,
-10693564,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2=O,NGCXNVIQHUCZIT-UHFFFAOYSA-N,314.115423676,2.8434000000000017,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2=O,"DEOXYSAPPANONE B 7,4'-DIMETHYL ETHER",1.084,1.2372,1.1606,
-10432296,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(OC)c1)C2=O,ZRSCGBGNKZDPOF-UHFFFAOYSA-N,328.13107374,3.1464000000000016,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(OC)c1)C2=O,DEOXYSAPPANONE B TRIMETHYL ETHER,1.1006,0.96467,1.032635,
-38958089,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],LTNZEXKYNRNOGT-UHFFFAOYSA-N,526.2630026400001,0.17824000000000445,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],DEQUALINIUM CHLORIDE,0.90916,1.0783,0.99373,
-26885593,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,WAZQAZKAZLXFMK-UHFFFAOYSA-N,397.07079696799997,3.2720000000000002,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,DERACOXIB,0.96327,1.1193,1.041285,
-45086186,COc1cc(OC)c2c(OC)c(-c3ccc4c(c3)OCO4)c(=O)oc2c1,PZYZNVLXKYMURF-UHFFFAOYSA-N,356.0896028519999,3.214500000000002,COc1cc(OC)c2c(OC)c(-c3ccc4c(c3)OCO4)c(=O)oc2c1,DERRUSNIN,0.94413,0.97084,0.957485,
-83676275,C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](O)C1C(C)(C)CC[C@H](O)[C@@]12C,WPDITXOBNLYZHH-GGLAWTCMSA-N,368.219888744,0.9490999999999989,C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](O)C1C(C)(C)CC[C@H](O)[C@@]12C,DESACETYLCOLFORSIN,0.92926,1.1126,1.02093,
-89664412,CNCCCN1c2ccccc2CCc2ccccc21.Cl,XAEWZDYWZHIUCT-UHFFFAOYSA-N,302.154976416,3.954600000000004,CNCCCN1c2ccccc2CCc2ccccc21.Cl,DESIPRAMINE HYDROCHLORIDE,0.88369,0.93206,0.907875,
-10938557,Cl.Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,XJJLVGAIFJSMSJ-UHFFFAOYSA-N,346.100354,4.440700000000004,Cl.Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,DESLORATADINE HYDROCHLORIDE,0.9459,0.92223,0.934065,
-24407365,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,JAUOIFJMECXRGI-UHFFFAOYSA-N,310.123676288,4.018900000000002,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,DESLORATIDINE,0.75871,0.81295,0.78583,
-44193205,C#C[C@]1(O)CCC2[C@@H]3CCC4=CCCC[C@@H]4C3C(=C)C[C@@]21CC,RPLCPCMSCLEKRS-ROLQGWSDSA-N,310.22966558,4.869700000000004,C#C[C@]1(O)CCC2[C@@H]3CCC4=CCCC[C@@H]4C3C(=C)C[C@@]21CC,DESOGESTREL,0.91857,1.1197,1.019135,
-32731447,CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,WBGKWQHBNHJJPZ-QHDHGWJCSA-N,416.2198887439999,2.326700000000001,CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DESONIDE,0.95192,0.81038,0.88115,
-96810323,CC(=O)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,VPGRYOFKCNULNK-CLIPTZFXSA-N,372.230059504,4.266700000000004,CC(=O)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,DESOXYCORTICOSTERONE ACETATE,1.2705,1.3344,1.30245,
-48349133,C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,VWVSBHGCDBMOOT-ZIKVJHDZSA-N,376.20498762799997,2.7808000000000015,C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,DESOXYMETASONE,1.0459,0.76831,0.907105,
-10970983,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O,ORUUBRMVQCKYHB-UHFFFAOYSA-N,381.21513771199994,2.6684,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O,DESVENLAFAXINE SUCCINATE,0.94098,0.95196,0.94647,
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-67919594,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O,VJECBOKJABCYMF-UHFFFAOYSA-N,547.173683888,1.2218000000000007,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O,DOXAZOSIN MESYLATE,1.0667,1.0055,1.0361,
-92526941,CN(C)CC/C=C1/c2ccccc2COc2ccccc21.Cl,MHNSPTUQQIYJOT-UHFFFAOYSA-N,315.138992004,4.384200000000005,CN(C)CC/C=C1/c2ccccc2COc2ccccc21.Cl,DOXEPIN HYDROCHLORIDE,0.75927,0.89678,0.828025,
-11502432,C[C@H]1OC(n2cc(F)c(=O)[nH]c2=O)C(O)[C@@H]1O,ZWAOHEXOSAUJHY-IRKUJEHTSA-N,246.065199672,-1.6851999999999996,C[C@H]1OC(n2cc(F)c(=O)[nH]c2=O)C(O)[C@@H]1O,DOXIFLURIDINE,1.2056,1.0974,1.1515,
-64304796,Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,HWXIGFIVGWUZAO-UHFFFAOYSA-N,266.101504928,-1.1933999999999994,Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,DOXOFYLLINE,0.84442,0.93792,0.89117,
-37520383,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1C[C@H](N)[C@H](O)[C@H](C)O1,AOJJSUZBOXZQNB-BLSUDJMZSA-N,543.1740607479999,0.0012999999999993017,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1C[C@H](N)[C@H](O)[C@H](C)O1,DOXORUBICIN,0.98745,0.95202,0.969735,
-91024728,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl,RUYHIJHUVHIMIR-CVHRZJFOSA-N,480.12994344000003,0.07420000000000038,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl,DOXYCYCLINE HYDROCHLORIDE,0.16534,0.18882,0.17708,
-28884141,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,KBAUFVUYFNWQFM-UHFFFAOYSA-N,388.1998219959999,2.8591000000000006,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,DOXYLAMINE SUCCINATE,1.3421,1.0623,1.2022,
-32570092,CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl,WIELVDXKOYPANK-UHFFFAOYSA-N,353.212156944,4.6573000000000055,CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl,DROFENINE HYDROCHLORIDE,0.87398,0.9163,0.89514,
-83008847,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl,DWKVCQXJYURSIQ-UHFFFAOYSA-N,592.27377122,7.470800000000009,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl,DRONEDARONE HYDROCHLORIDE,1.0964,1.0761,1.08625,
-10067142,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,RMEDXOLNCUSCGS-UHFFFAOYSA-N,379.16960516399996,3.6784000000000026,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,DROPERIDOL,0.88855,1.0037,0.946125,
-98346209,OCC(O)CN1CCN(c2ccccc2)CC1,PTVWPYVOOKLBCG-UHFFFAOYSA-N,236.15247788,0.16179999999999972,OCC(O)CN1CCN(c2ccccc2)CC1,DROPROPIZINE,0.93864,0.92101,0.929825,
-94981994,C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1C1C2CC[C@@]2(C)C1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1,METQSPRSQINEEU-GGORKCOASA-N,366.21949481999997,4.305900000000004,C[C@]12CCC3C(C1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C,DROSPIRENONE,1.0511,1.0084,1.02975,
-11623458,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,QXWYKJLNLSIPIN-UHFFFAOYSA-N,213.063722452,-0.4569000000000002,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,DROXYDOPA,1.1401,1.0674,1.10375,
-11157457,COc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(OC)c1O,QVVPJFBYFYYVDM-LLVKDONJSA-N,332.12598835999995,2.842300000000002,COc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(OC)c1O,DUARTIN (-),0.84243,0.87151,0.85697,
-54653027,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl,BFFSMCNJSOPUAY-LMOVPXPDSA-N,333.09541294,5.052700000000004,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl,DULOXETINE HYDROCHLORIDE,0.83698,0.78137,0.809175,
-59719187,COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2,SQBVRNCDBATODN-UHFFFAOYSA-N,378.110338296,4.3815000000000035,COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2,DURMILLONE,1.1836,1.2509,1.21725,
-53585599,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl,KNZADIMHVBBPOA-UHFFFAOYSA-N,325.180856816,4.3460000000000045,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl,DYCLONINE HYDROCHLORIDE,0.96521,0.8898,0.927505,
-10895963,Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,KSCFJBIXMNOVSH-UHFFFAOYSA-N,254.101504928,-2.213099999999999,Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,DYPHYLLINE,1.2969,0.96967,1.133285,
-34114001,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,MJJALKDDGIKVBE-UHFFFAOYSA-N,469.29807948800004,7.217600000000008,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,EBASTINE,1.1173,0.89697,1.007135,
-72565892,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,DDXORDQKGIZAME-UHFFFAOYSA-N,443.0206390319999,5.453700000000003,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,ECONAZOLE NITRATE,0.98394,0.92065,0.952295,
-44091864,CC1=NN(c2ccccc2)C(=O)C1,QELUYTUMUWHWMC-UHFFFAOYSA-N,174.07931294,1.7992,CC1=NN(c2ccccc2)C(=O)C1,EDARAVONE,0.96288,0.99626,0.97957,
-35345593,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+],ZGTMUACCHSMWAC-UHFFFAOYSA-N,338.06910687218,-8.063200000000007,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+],EDETATE DISODIUM,0.89912,0.92895,0.914035,
-74420886,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,NSOXQYCFHDMMGV-UHFFFAOYSA-N,292.236207504,-0.8863999999999979,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,EDITOL,0.83936,0.88274,0.86105,
-54938947,CN1CCc2nc(C(=O)NC3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1.O,PSMMNJNZVZZNOI-KMCJNONDSA-N,737.2068309200001,1.7066200000000027,CN1CCc2nc(C(=O)NC3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1.O,EDOXABAN TOSYLATE HYDRATE,1.1973,1.1052,1.15125,
-21630791,CCc1cn(C2OCC(O)C2CO)c(=O)nc1O,QFVJRGJHSZSRJI-UHFFFAOYSA-N,256.10592161200003,-0.9905000000000002,CCc1cn(C2OCC(O)C2CO)c(=O)nc1O,EDOXUDINE,0.96305,0.90153,0.93229,
-10985220,CC[N+](C)(C)c1cccc(O)c1.[Cl-],BXKDSDJJOVIHMX-UHFFFAOYSA-N,201.092041812,-1.0169999999999997,CC[N+](C)(C)c1cccc(O)c1.[Cl-],EDROPHONIUM CHLORIDE,1.1287,1.4047,1.2667,
-82564264,CCC1(C2=NCCN2)Cc2ccccc2O1.Cl,DWOIUCRHVWIHAH-UHFFFAOYSA-N,252.102940844,2.193800000000001,CCC1(C2=NCCN2)Cc2ccccc2O1.Cl,EFAROXAN HYDROCHLORIDE,1.2159,1.007,1.11145,
-50732540,Cl.NCCCC(N)(C(=O)O)C(F)F.O,FJPAMFNRCFEGSD-UHFFFAOYSA-N,236.07392646,-0.6304000000000001,Cl.NCCCC(N)(C(=O)O)C(F)F.O,EFLORNITHINE HYDROCHLORIDE HYDRATE,1.0034,0.91002,0.95671,
-40574559,CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,ZVXBAHLOGZCFTP-UHFFFAOYSA-N,324.099773612,3.401900000000002,CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,EFLOXATE,0.88347,0.92235,0.90291,
-78494962,Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,UTINOWOSWSPFLJ-FSRHSHDFSA-N,462.09766120399996,4.398900000000004,Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,ELETRIPTAN HYDROBROMIDE,0.93906,1.2043,1.07168,
-85525712,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,AFSDNFLWKVMVRB-UHFFFAOYSA-N,302.006267152,1.3127999999999997,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,ELLAGIC ACID,0.86985,1.0844,0.977125,
-75579409,CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O,XDXWLKQMMKQXPV-UHFFFAOYSA-N,442.16410518399994,4.564840000000005,CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O,ELTROMBOPAG,1.4337,1.1357,1.2847,
-16857926,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O,FWLKKPKZQYVAFR-UHFFFAOYSA-N,534.2325786679999,1.6383000000000016,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O,EMEDASTINE DIFUMARATE,0.97868,1.1034,1.04104,
-10526922,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC1NCCc2cc(OC)c(OC)cc21.Cl.Cl,JROGBPMEKVAPEH-OPQPVGJLSA-N,552.252163184,5.787000000000008,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC1NCCc2cc(OC)c(OC)cc21.Cl.Cl,EMETINE DIHYDROCHLORIDE,0.96947,0.79908,0.884275,
-25905224,CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2CCC3(C)C4CCC5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@@H]1O,MABTYQWWFMMYTE-LONDWSRQSA-N,550.3141830519999,2.225099999999999,CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2CCC3(C)C4CCC5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@@H]1O,EMICYMARIN,0.9729,1.0679,1.0204,
-57673020,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,RHMXXJGYXNZAPX-UHFFFAOYSA-N,270.05282342,1.8872199999999997,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,EMODIN,0.8723,0.83607,0.854185,
-10451482,O[C@H]1[C@H](O)[C@@H](O)C(c2ccc(Cl)c(Cc3ccc(OC4CCOC4)cc3)c2)O[C@@H]1O,RFFRRUJEBGIBHM-MFJSOZGLSA-N,436.12888081999995,1.570899999999999,O[C@H]1OC(c2ccc(Cl)c(Cc3ccc(OC4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,EMPAGLIFLOZIN,1.0455,0.97744,1.01147,
-30339639,Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F,XQSPYNMVSIKCOC-NTSWFWBYSA-N,247.0426904,-0.4550000000000003,Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F,EMTRICITABINE,1.0575,0.96312,1.01031,
-68579323,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\C(=O)O,OYFJQPXVCSSHAI-BDURURIASA-N,492.21078060399986,1.316400000000002,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\C(=O)O,ENALAPRIL MALEATE,1.0886,0.98048,1.03454,
-71045503,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O,XVTXMTOYQVRHSK-UHFFFAOYSA-N,394.0156979719998,3.4810000000000016,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O,ENILCONAZOLE SULFATE,0.80222,0.85647,0.829345,
-32352002,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,IDYZIJYBMGIQMJ-UHFFFAOYSA-N,320.12846862400005,0.6633000000000002,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,ENOXACIN,0.14709,0.16231,0.1547,
-36045833,CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O,MPDGHEJMBKOTSU-VOPRYAMFSA-N,470.33960995199993,6.412600000000007,CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O,ENOXOLONE,1.1952,1.2298,1.2125,
-78269705,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,SPFYMRJSYKOXGV-UHFFFAOYSA-N,359.16451978400005,2.3156,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,ENROFLOXACIN,0.13697,0.15745,0.14721,
-77687447,CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,JRURYQJSLYLRLN-UHFFFAOYSA-N,305.10117058,1.7813800000000002,CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,ENTACAPONE,0.96614,0.80211,0.884125,
-56758793,CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)CC23OC2(C)OC34[C@H](OC(=O)C(C)C)[C@@]3(O)[C@@H](OC(=O)C5(C)OC5C)[C@@]5(C)C[C@]3(O)[C@@](C)([C@H]5CC(=O)OC)C14O2,BUVRFGBECZFCRL-YDTKTFQDSA-N,844.3517503319999,3.3446000000000025,CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)CC23OC2(C)OC34[C@H](OC(=O)C(C)C)[C@@]3(O)[C@@H](OC(=O)C5(C)OC5C)[C@@]5(C)C[C@]3(O)[C@@](C)([C@H]5CC(=O)OC)C14O2,ENTANDROPHRAGMIN,1.0564,1.038,1.0472,
-98190253,C=C1[C@H](CO)[C@@H](O)C[C@@H]1n1cnc2c(=O)[nH]c(N)nc21.O,YXPVEXCTPGULBZ-WQYNNSOESA-N,295.128054024,-1.6525000000000005,C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO.O,ENTECAVIR MONOHYDRATE,1.0639,0.99698,1.03044,
-11026533,CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1,CHNUOJQWGUIOLD-UHFFFAOYSA-N,319.033685276,2.918700000000001,CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1,EPALRESTAT,1.0774,1.125,1.1012,
-25680203,CN[C@@H](C)[C@H](O)c1ccccc1.Cl,BALXUFOVQVENIU-GNAZCLTHSA-N,201.092041812,1.7496999999999998,CN[C@@H](C)[C@H](O)c1ccccc1.Cl,"EPHEDRINE (1R,2S) HYDROCHLORIDE",1.0276,0.90865,0.968125,
-99782192,Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1,RSYUFYQTACJFML-UKRRQHHQSA-N,274.08412354800004,1.8404999999999996,Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1,"EPIAFZELECHIN (2R,3R)(-)",0.92064,0.96089,0.940765,
-43757399,C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC[C@@H]2O,CBMYJHIOYJEBSB-ILBJSTGGSA-N,292.240230264,3.750900000000003,C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC[C@@H]2O,EPIANDROSTANEDIOL,1.0229,0.91549,0.969195,
-11343869,C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C)C1CCC2=O,QGXBDMJGAMFCBF-FMLJXKFRSA-N,290.2245802,3.959100000000003,C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C)C1CCC2=O,EPIANDROSTERONE,1.0291,0.93757,0.983335,
-35486010,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,PFTAWBLQPZVEMU-UKRRQHHQSA-N,290.079038168,1.5460999999999998,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,EPICATECHIN,1.0082,1.1073,1.05775,
-17100743,O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,LSHVYAFMTMFKBA-TZIWHRDSSA-N,442.0899967759999,2.5276000000000005,O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,EPICATECHIN MONOGALLATE,0.89818,0.88042,0.8893,
-17935243,CC12CCC3c4ccc(O)cc4CCC3C1C[C@H](O)[C@@H]2O,PROQIPRRNZUXQM-WRECPOHLSA-N,288.17254462799997,2.5800000000000005,CC12CCC3c4ccc(O)cc4CCC3C1C[C@H](O)[C@@H]2O,EPIESTRIOL,1.0123,0.93115,0.971725,
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-80572981,C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,CHNXZKVNWQUJIB-UHFFFAOYSA-N,312.208930136,3.8826000000000036,C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,ETHISTERONE,1.5776,1.3657,1.47165,
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-54286052,CCOc1cc(C=O)ccc1O,CBOQJANXLMLOSS-UHFFFAOYSA-N,166.06299418,1.6034,CCOc1cc(C=O)ccc1O,ETHYL VANILLIN,0.93117,1.1014,1.016285,
-33330871,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,KCXVZYZYPLLWCC-UHFFFAOYSA-N,292.09066547199996,-2.0711999999999957,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,ETHYLENEDIAMINE TETRACETIC ACID,1.068,0.8995,0.98375,
-32570342,CCC(N)C(O)c1ccc(O)c(O)c1.Cl,NZDMRJGAFPUTMZ-UHFFFAOYSA-N,233.081871052,1.2902999999999996,CCC(N)C(O)c1ccc(O)c(O)c1.Cl,ETHYLNOREPINEPHRINE HYDROCHLORIDE,0.97522,1.0201,0.99766,
-27264964,C#C[C@]1(OC(C)=O)CCC2C3CCC4=C[C@@H](OC(C)=O)CCC4C3CC[C@@]21C,ONKUMRGIYFNPJW-FWAVOAFDSA-N,384.230059504,4.425900000000004,C#C[C@]1(OC(C)=O)CCC2C3CCC4=C[C@@H](OC(C)=O)CCC4C3CC[C@@]21C,ETHYNODIOL DIACETATE,1.1574,1.1405,1.14895,
-11051417,CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+],GWBBVOVXJZATQQ-UHFFFAOYSA-L,249.938414352,-8.248199999999999,CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+],ETIDRONATE DISODIUM,1.0112,1.055,1.0331,
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-20270916,CCOC(=O)c1cncn1[C@H](C)c1ccccc1,NPUKDXXFDDZOKR-LLVKDONJSA-N,244.121177752,2.669100000000001,CCOC(=O)c1cncn1[C@H](C)c1ccccc1,ETOMIDATE,1.2885,1.1807,1.2346,
-91494735,COc1cc([C@@H]2c3cc4c(cc3C(OC3O[C@@H]5COC(C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O,VJJPUSNTGOMMGY-GEGAHKOSSA-N,588.1842910839998,1.3385999999999993,COc1cc([C@@H]2c3cc4c(cc3C(OC3O[C@@H]5COC(C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O,ETOPOSIDE,0.93328,0.89906,0.91617,
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-17631523,CC1(C)O[C@]2(C)CC[C@H]1CC2,WEEGYLXZBRQIMU-WAAGHKOSSA-N,154.135765196,2.7441000000000013,CC1(C)O[C@]2(C)CC[C@H]1CC2,EUCALYPTOL,0.96917,1.0978,1.033485,
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-91916710,C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1,OPUFDNZTKHPZHM-UHFFFAOYSA-N,216.078644244,3.374100000000002,C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1,EUPARIN,1.0892,1.2411,1.16515,
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-46236005,Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+],ATNOAWAQFYGAOY-UHFFFAOYSA-J,959.9824105680003,-6.6843600000000025,Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+],EVANS BLUE,5.2728,5.7469,5.50985,
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-87598397,COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12,FGANMDNHTVJAHL-UHFFFAOYSA-N,347.136887392,2.5088,COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12,EVOXINE,0.97101,0.9451,0.958055,
-50555706,CCCCCCOc1ccccc1C(N)=O,CKSJXOVLXUMMFF-UHFFFAOYSA-N,221.141578848,2.7446,CCCCCCOc1ccccc1C(N)=O,EXALAMIDE,0.75429,1.0311,0.892695,
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-10118816,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,NGOGFTYYXHNFQH-UHFFFAOYSA-N,291.104147784,1.2187999999999999,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,FASUDIL HYDROCHLORIDE,1.0046,1.2005,1.10255,
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-87741486,CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,CVKUMNRCIJMVAR-UHFFFAOYSA-N,401.06998603999995,2.2384000000000013,CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,FENOLDOPAM MESYLATE,1.2362,0.82978,1.03299,
-49469043,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,RDJGLLICXDHJDY-UHFFFAOYSA-N,242.094294308,3.6670000000000016,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,FENOPROFEN,0.94432,1.0929,1.01861,
-53192000,Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,SGZRQMALQBXAIQ-UHFFFAOYSA-N,383.07322028399994,2.6355000000000004,Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,FENOTEROL HYDROBROMIDE,1.0143,0.80955,0.911925,
-85902732,Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,FIKFLLIUPUVONI-UHFFFAOYSA-N,296.129155592,2.2253,Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,FENSPIRIDE HYDROCHLORIDE,1.115,1.155,1.135,
-14287699,O=C([O-])/C=C/C(=O)[O-].[Fe+2],PMVSDNDAUGGCCE-UHFFFAOYSA-L,169.930246044,-2.9600999999999997,O=C([O-])/C=C/C(=O)[O-].[Fe+2],FERROUS FUMARATE,1.009,0.91594,0.96247,
-54397532,COc1cc(/C=C/C(=O)O)ccc1O,KSEBMYQBYZTDHS-UHFFFAOYSA-N,194.0579088,1.4986,COc1cc(/C=C/C(=O)O)ccc1O,FERULIC ACID,1.0923,0.84902,0.97066,
-36337043,CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C/C(=O)O,MWHXMIASLKXGBU-GNAFDRTKSA-N,527.2883026519999,5.092900000000004,CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C/C(=O)O,FESOTERODINE FUMARATE,1.1188,1.0166,1.0677,
-40129621,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl,RRJFVPUCXDGFJB-UHFFFAOYSA-N,537.26458644,5.932300000000009,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl,FEXOFENADINE HYDROCHLORIDE,1.0477,1.0681,1.0579,
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-33677831,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,435.938706428,4.279179999999999,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F,FIPRONIL,0.88443,1.076,0.980215,
-18565867,CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1,FULAPETWGIGNMT-UHFFFAOYSA-N,336.10314473999995,2.563200000000001,CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1,FIROCOXIB,1.0,0.99317,0.996585,
-90134625,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,XHEFDIBZLJXQHF-UHFFFAOYSA-N,286.04773804,2.282400000000001,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,FISETIN,0.91486,0.95448,0.93467,
-51921634,COC(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O,YOTCKRFNSMJTGD-PSWUJVJRSA-N,512.2410181119999,4.726600000000005,COC(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O,FISSINOLIDE,0.93493,1.0157,0.975315,
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-54429586,CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C,ZWCXYZRRTRDGQE-UHFFFAOYSA-N,1881.0705330199994,4.372299999999978,CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C,GRAMICIDIN (gramicidin A shown),1.0469,1.2381,1.1425,
-81233008,CN(C)Cc1c[nH]c2ccccc12,OCDGBSUVYYVKQZ-UHFFFAOYSA-N,174.115698448,2.2295,CN(C)Cc1c[nH]c2ccccc12,GRAMINE,0.96616,1.1346,1.05038,
-63090907,CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl,QYZRTBKYBJRGJB-UHFFFAOYSA-N,348.17168910000004,2.740200000000001,CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl,GRANISETRON HYDROCHLORIDE,0.99259,1.0843,1.038445,
-55734258,CC(=O)O[C@@H]1C2CC[C@@H]3C1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O,NXCYBYJXCJWMRY-RSJQAJMGSA-N,412.246103492,0.7391000000000001,CC(=O)O[C@@H]1C2CC[C@@H]3C1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O,GRAYANOTOXIN I,1.115,1.1458,1.1304,
-30389512,COc1cc(OC)c2c(c1Cl)OC1(C2=O)C(O)=CC(=O)CC1C,KUTVEHNZHKAAAO-UHFFFAOYSA-N,338.05571588,2.7219000000000007,COc1cc(OC)c2c(c1Cl)OC1(C2=O)C(O)=CC(=O)CC1C,GRISEOFULVIC ACID,0.96978,0.9185,0.94414,
-95991215,COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,DDUHZTYCFQRHIY-RBHXEPJQSA-N,352.071365944,2.8103000000000007,COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,GRISEOFULVIN,1.009,1.1344,1.0717,
-10948300,COc1ccccc1O,LHGVFZTZFXWLCP-UHFFFAOYSA-N,124.052429496,1.4008,COc1ccccc1O,GUAIACOL,0.95227,0.92522,0.938745,
-79560866,Cc1ccc(C(C)C)cc2c(C)ccc1-2,FWKQNCXZGNBPFD-UHFFFAOYSA-N,198.140850576,4.531640000000004,Cc1ccc(C(C)C)cc2c(C)ccc1-2,GUAIAZULENE,1.295,1.4089,1.35195,
-29784583,COc1ccccc1OCC(O)CO,HSRJKNPTNIJEKV-UHFFFAOYSA-N,198.089208928,0.4272000000000001,COc1ccccc1OCC(O)CO,GUAIFENESIN,1.1684,1.0083,1.08835,
-11430059,CC(=O)O.N=C(N)N/N=C\c1c(Cl)cccc1Cl,MCSPBPXATWBACD-UHFFFAOYSA-N,290.033730984,1.90127,CC(=O)O.N=C(N)N/N=C\c1c(Cl)cccc1Cl,GUANABENZ ACETATE,0.80161,1.0035,0.902555,
-55300986,N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O,YUFWAVFNITUSHI-UHFFFAOYSA-N,296.15182624799996,0.08277000000000057,N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O,GUANETHIDINE MONOSULFATE,1.0736,1.066,1.0698,
-11562766,Cl.NC(N)=NC(=O)Cc1c(Cl)cccc1Cl,DGFYECXYGUIODH-UHFFFAOYSA-N,280.98894498,1.7577000000000003,Cl.NC(N)=NC(=O)Cc1c(Cl)cccc1Cl,GUANFACINE HYDROCHLORIDE,0.86192,0.77522,0.81857,
-32291493,Cl.Cl.N=C(N)N,CALVPZNSFFEPJG-UHFFFAOYSA-N,131.001702584,-0.31783,Cl.Cl.N=C(N)N,GUANIDINE HYDROCHLORIDE,0.93552,0.92661,0.931065,
-56990570,C/C=N/N(C)C=O,IMAGWKUTFZRWSB-UHFFFAOYSA-N,100.063662876,0.08030000000000004,C/C=N/N(C)C=O,GYROMITRIN,1.0331,0.91174,0.97242,
-73356321,Cc1cc(O)c(C=O)c(O)c1C(=O)O,KCOOTJRKKIDHTM-UHFFFAOYSA-N,196.037173356,0.91692,Cc1cc(O)c(C=O)c(O)c1C(=O)O,HAEMATOMMIC ACID,0.9341,1.1716,1.05285,
-10739038,CCOC(=O)c1c(C)cc(O)c(C=O)c1O,HUXJGSHUVDWZAM-UHFFFAOYSA-N,224.068473484,1.3954199999999999,CCOC(=O)c1c(C)cc(O)c(C=O)c1O,"HAEMATOMMIC ACID, ETHYL ESTER",0.67077,0.99269,0.83173,
-29653259,CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C(C)O)C(C)=C4C(C)O)c(C)c3CCC(=O)O,UJKPHYRXOLRVJJ-UHFFFAOYSA-N,598.2791349360001,6.109140000000008,CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C(C)O)C(C)=C4C(C)O)c(C)c3CCC(=O)O,HAEMATOPORPHYRIN,0.95726,1.1185,1.03788,
-94548560,Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2,WZUVPPKBWHMQCE-UHFFFAOYSA-N,302.079038168,1.3204999999999993,Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2,HAEMATOXYLIN,1.3476,1.2731,1.31035,
-10040046,O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1,XPDVQPODLRGWPL-UHFFFAOYSA-N,268.93163400000003,1.6831,O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1,HALAZONE,0.88099,1.097,0.988995,
-88014726,CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)[C@]2(C(=O)CCl)O1,MUQNGPZZQDCDFT-RLDTZFIDSA-N,454.1922300239999,3.889300000000003,CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)[C@]2(C(=O)CCl)O1,HALCINONIDE,1.2155,1.159,1.18725,
-11165973,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,LNEPOXFFQSENCJ-UHFFFAOYSA-N,375.140134876,4.425600000000004,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,HALOPERIDOL,0.76603,0.68305,0.72454,
-40911653,FC(F)(F)C(Cl)Br,BCQZXOMGPXTTIC-UHFFFAOYSA-N,195.890224472,2.5084999999999997,FC(F)(F)C(Cl)Br,HALOTHANE,0.94156,0.9705,0.95603,
-90826761,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,RERZNCLIYCABFS-UHFFFAOYSA-N,214.110613068,2.5416000000000007,COc1ccc2c3c([nH]c2c1)C(C)=NCC3,HARMALINE,0.76668,0.8423,0.80449,
-83882679,CC1=NCCC2c3ccc(O)cc3NC12,ZROHARDJZUDICW-UHFFFAOYSA-N,202.110613068,2.1345,CC1=NCCC2c3ccc(O)cc3NC12,HARMALOL,1.2116,1.1756,1.1936,
-55080907,CC1=NCCc2c1[nH]c1cc(O)ccc21.Cl.O.O,OYKGNQNESCZSHQ-UHFFFAOYSA-N,272.092770084,1.0109999999999997,CC1=NCCc2c1[nH]c1cc(O)ccc21.Cl.O.O,HARMALOL HYDROCHLORIDE DIHYDRATE,1.0842,1.1763,1.13025,
-55592621,COc1ccc2c(c1)[nH]c1c(C)nccc12,BXNJHAXVSOCGBA-UHFFFAOYSA-N,212.094963004,3.033120000000001,COc1ccc2c(c1)[nH]c1c(C)nccc12,HARMINE,0.75338,0.80075,0.777065,
-18292812,Cc1nccc2c1[nH]c1cc(O)ccc12,SATMZMMKDDTOSQ-UHFFFAOYSA-N,198.07931294,2.7301200000000003,Cc1nccc2c1[nH]c1cc(O)ccc12,HARMOL,0.90299,0.75704,0.830015,
-60394009,CC1C2C(CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2,QOLRLLFJMZLYQJ-UVPFGVOYSA-N,430.30830982399993,4.972800000000005,CC1C2C(CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2,HECOGENIN,1.2604,0.88311,1.071755,
-78973666,CC(=O)OC1CCC2(C)C3CC(=O)C4(C)C(CC5OC6(CCC(C)CO6)[C@@H](C)C54)C3CC[C@H]2C1,CVKZWRTYHCDWTE-SGFNZABRSA-N,472.31887450799996,5.543600000000006,CC(=O)OC1CCC2(C)C3CC(=O)C4(C)C(CC5OC6(CCC(C)CO6)[C@@H](C)C54)C3CC[C@H]2C1,HECOGENIN ACETATE,1.0425,0.91751,0.980005,
-38093101,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1,PGOYMURMZNDHNS-NJMHOMCLSA-N,472.35526001599993,6.206000000000008,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1,HEDERAGENIN,0.73222,0.68663,0.709425,
-48468758,C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12,PXOYOCNNSUAQNS-AGNJHWRGSA-N,232.14632988,3.2406000000000024,C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12,HELENINE,0.998,1.1875,1.09275,
-57933884,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O,BGOFCVIGEYGEOF-NZEXEKPDSA-N,284.089602852,-1.3222000000000005,O=Cc1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O,HELICIN,1.0486,0.99966,1.02413,
-83001779,O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O,HLUCICHZHWJHLL-UHFFFAOYSA-N,300.063388104,1.3295999999999997,O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O,HEMATEIN,1.0755,1.0444,1.05995,
-18568697,N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@H](CO[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2C(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O,LTGAJWFGUOGWMM-QMVBRNHYSA-K,688.07173433973,-9.837500000000011,N[C@H]1[C@@H](O[C@@H]2[C@@H](C(=O)[O-])O[C@@H](CO[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](OS(=O)(=O)[O-])[C@H]2O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O,HEPARIN SODIUM,0.84188,1.1369,0.98939,
-50692549,CC(N)CCCC(C)(C)O.Cl,JZNBMCOSOXIZJB-UHFFFAOYSA-N,181.12334194,1.6966,CC(N)CCCC(C)(C)O.Cl,HEPTAMINOL HYDROCHLORIDE,0.87162,0.90011,0.885865,
-53514190,COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,AIONOLUJZLIMTK-AWEZNQCLSA-N,302.079038168,2.518500000000001,COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,HESPERETIN,0.90375,0.89465,0.8992,
-88402593,COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,QUQPHWDTPGMPEX-UZRWAPQLSA-N,610.1897703879999,-1.1566,COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,HESPERIDIN,1.0997,1.0996,1.09965,
-34322132,CC1(C)S[C@@H]2C(N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+],QRSPJBLLJXVPDD-MABVEAAUSA-M,427.09680886399997,-2.9195999999999955,CC1(C)S[C@@H]2C(N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+],HETACILLIN POTASSIUM,0.14814,0.15875,0.153445,
-34013605,COc1cc(O)c2c(=O)cc(C)oc2c1CC=C(C)C,KVNRDSLYCOJCRD-UHFFFAOYSA-N,274.120509056,3.324320000000002,COc1cc(O)c2c(=O)cc(C)oc2c1CC=C(C)C,HETEROPEUCENIN METHYL ETHER,0.84951,0.86502,0.857265,
-46729776,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,ACGUYXCXAPNIKK-UHFFFAOYSA-N,403.849895512,6.609000000000001,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,HEXACHLOROPHENE,0.21999,0.29918,0.259585,
-38020515,C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-],FAPSXSAPXXJTOU-UHFFFAOYSA-L,360.07757316,-4.032799999999993,C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-],HEXAMETHONIUM BROMIDE,0.83872,0.98391,0.911315,
-85950107,COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC,CHXSDKWBSFDZEU-UHFFFAOYSA-N,402.13146766399996,3.5116000000000023,COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC,HEXAMETHYLQUERCETAGETIN,1.1005,1.0921,1.0963,
-88234565,CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,PBBGSZCBWVPOOL-UHFFFAOYSA-N,270.161979944,4.785200000000004,CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,HEXESTROL,0.78585,0.89167,0.83876,
-96287578,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,DTOUUUZOYKYHEP-UHFFFAOYSA-N,339.36134844000003,4.711700000000004,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,HEXETIDINE,0.1436,0.16486,0.15423,
-13432419,CC(O)CC(C)(C)O,SVTBMSDMJJWYQN-UHFFFAOYSA-N,118.099379688,0.5282,CC(O)CC(C)(C)O,HEXYLENE GLYCOL,1.0402,1.1096,1.0749,
-75038017,CCCCCCc1ccc(O)cc1O,WFJIVOKAWHGMBH-UHFFFAOYSA-N,194.130679816,3.2206000000000023,CCCCCCc1ccc(O)cc1O,HEXYLRESORCINOL,0.50499,0.4946,0.499795,
-81156597,O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,ARSRJFRKVXALTF-UHFFFAOYSA-N,302.04265266,1.988,O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,HIERACIN,0.85119,0.79221,0.8217,
-76036299,Cl.Cl.NCCc1c[nH]cn1,PPZMYIBUHIPZOS-UHFFFAOYSA-N,183.03300271199998,0.7545000000000002,Cl.Cl.NCCc1c[nH]cn1,HISTAMINE DIHYDROCHLORIDE,0.94018,0.98259,0.961385,
-16467076,Br.CN1C2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2,DWSGTFTVBLXELC-YPNZXITFSA-N,355.07830566399997,2.4663000000000004,Br.CN1C2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2,HOMATROPINE HYDROBROMIDE,0.98123,1.0152,0.998215,
-80780787,C[N+]1(C)C2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2.[Br-],FUFVKLQESJNNAN-SLMONAPUSA-M,369.093955728,-0.9629999999999976,C[N+]1(C)C2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2.[Br-],HOMATROPINE METHYLBROMIDE,0.95728,0.9441,0.95069,
-69338722,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],ZMMJGEGLRURXTF-UHFFFAOYSA-N,393.08405974,1.1358,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],HOMIDIUM BROMIDE,0.98102,0.8921,0.93656,
-74817558,COc1ccc2c(c1)O[C@H]1c3ccc(OC)cc3OC[C@@H]21,VPGIGLKLCFOWDN-YOEHRIQHSA-N,284.104858992,3.3135000000000012,COc1ccc2c(c1)O[C@H]1c3ccc(OC)cc3OC[C@@H]21,HOMOPTEROCARPIN,1.0717,1.057,1.06435,
-16640462,CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,WSSJONWNBBTCMG-UHFFFAOYSA-N,262.156894564,3.7638000000000025,CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,HOMOSALATE,1.0465,1.4006,1.22355,
-11108237,C/C1=C/CC(C)(C)/C=C/C/C(C)=C/CC1,FAMPSKZZVDUYOS-UHFFFAOYSA-N,204.187800768,5.0354000000000045,C/C1=C/CC(C)(C)/C=C/C/C(C)=C/CC1,HUMULENE (alpha),1.0686,1.0145,1.04155,
-11263566,C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2,ZRJBHWIHUMBLCN-ZUZCIYMTSA-N,242.141913196,1.9975,C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2,HUPERZINE A,0.87395,1.0859,0.979925,
-89251565,CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,MFZWMTSUNYWVBU-UHFFFAOYSA-N,356.15584900799996,3.660700000000002,CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,HYCANTHONE,0.90625,0.98604,0.946145,
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-91218902,COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3,JZUTXVTYJDCMDU-MOPGFXCFSA-N,383.136887392,2.8732000000000015,COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3,"HYDRASTINE (1R, 9S)",1.1857,1.0127,1.0992,
-72087524,CN1CCc2cc3c(cc2C1O)OCO3.Cl,DLNQCQJCIITVHC-UHFFFAOYSA-N,243.066220988,1.3159,CN1CCc2cc3c(cc2C1O)OCO3.Cl,HYDRASTININE HYDROCHLORIDE,1.1265,1.0053,1.0659,
-32075169,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,JZUFKLXOESDKRF-UHFFFAOYSA-N,296.9644754159999,-0.35129999999999967,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,HYDROCHLOROTHIAZIDE,1.27,1.0281,1.14905,
-11175074,C[C@]12CCC(=O)C=C1CCC1C2[C@@H](O)C[C@@]2(C)C1CC[C@]2(O)C(=O)CO,JYGXADMDTFJGBT-YDAVOWJHSA-N,362.2093240599999,1.7815999999999996,C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)CO,HYDROCORTISONE,0.99704,0.98912,0.99308,
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-70368600,CCCC(=O)O[C@]1(C(=O)CO)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C,BMCQMVFGOVHVNG-ZNBJZEBJSA-N,432.25118887199994,3.132600000000002,CCCC(=O)O[C@]1(C(=O)CO)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C,HYDROCORTISONE BUTYRATE,1.2801,0.95257,1.116335,
-16548781,C[C@]12CCC(=O)C=C1CCC1C2[C@@H](O)C[C@@]2(C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,VWQWXZAWFPZJDA-PILPDLGISA-N,462.22536804799984,2.1973,C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,HYDROCORTISONE HEMISUCCINATE,1.1307,1.167,1.14885,
-23819309,CC12CCC(=O)C=C1CCC1C2[C@@H](O)CC2(C)C1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].CC[NH+](CC)CC.CC[NH+](CC)CC,KBGCXUBOAUWAIS-QUUFIRBISA-N,644.4165535419999,0.49660000000000726,CC12CCC(=O)C=C1CCC1C2[C@@H](O)CC2(C)C1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].CC[NH+](CC)CC.CC[NH+](CC)CC,HYDROCORTISONE PHOSPHATE TRIETHYLAMINE,1.0141,0.8539,0.934,
-19245302,CCCCC(=O)O[C@]1(C(=O)CO)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C,FZCHYNWYXKICIO-BXLKFAEVSA-N,446.26683893599994,3.522700000000002,CCCCC(=O)O[C@]1(C(=O)CO)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C,HYDROCORTISONE VALERATE,1.1607,0.9938,1.07725,
-87199496,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,DMDGGSIALPNSEE-UHFFFAOYSA-N,330.990832396,0.014100000000000557,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,HYDROFLUMETHIAZIDE,1.1284,0.921,1.0247,
-10925133,CC(C)/C(O)=C1/C(=O)O[C@@H](c2ccoc2)[C@]2(C)C(O)[C@@H](O)[C@@]34OC5(C)OC67CC(C)(C(O)[C@]6(O)[C@@H](O)[C@]3(O5)C12)[C@H](CC(=O)O)[C@]74C,FLRUCNJMPLRHQE-XRHRQADMSA-N,648.24180596,0.6579000000000004,CC(C)/C(O)=C1/C(=O)O[C@@H](c2ccoc2)[C@]2(C)C(O)[C@@H](O)[C@@]34OC5(C)OC67CC(C)(C(O)[C@]6(O)[C@@H](O)[C@]3(O5)C12)[C@H](CC(=O)O)[C@]74C,HYDROLYSIS PRODUCT OF BUSSEIN,1.0802,0.85459,0.967395,
-10975925,CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,LJOQGZACKSYWCH-NBGVHYBESA-N,326.199428072,3.3972000000000024,CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,HYDROQUINIDINE,0.90357,0.85384,0.878705,
-35214314,Oc1ccc(O)cc1,QIGBRXMKCJKVMJ-UHFFFAOYSA-N,110.036779432,1.0977999999999999,Oc1ccc(O)cc1,HYDROQUINONE,0.83322,1.0031,0.91816,
-28833747,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,JCBIVZZPXRZKTI-UHFFFAOYSA-N,433.14381967599985,3.1302000000000003,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,HYDROXYCHLOROQUINE SULFATE,1.1357,1.0623,1.099,
-76184660,CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,DBPWSSGDRRHUNT-AYUYWISESA-N,330.21949481999997,3.8384000000000027,CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,HYDROXYPROGESTERONE,0.9875,0.95225,0.969875,
-28206734,CCCCCC(=O)O[C@]1(C(C)=O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,DOMWKUIIPQCAJU-JKPPDDDBSA-N,428.29265975999994,5.969600000000007,CCCCCC(=O)O[C@]1(C(C)=O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,HYDROXYPROGESTERONE CAPROATE,1.3702,1.6257,1.49795,
-75320583,Cc1cccc(C(=O)O)c1O,WHSXTWFYRGOBGO-UHFFFAOYSA-N,152.047344116,1.39882,Cc1cccc(C(=O)O)c1O,HYDROXYTOLUIC ACID,1.0141,1.1149,1.0645,
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-32157091,Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,ANOMHKZSQFYSBR-UHFFFAOYSA-N,446.129461208,3.8995000000000033,Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,HYDROXYZINE HYDROCHLORIDE,1.3265,1.3727,1.3496,
-40395234,O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,ASDOKGIIKXGMNB-UHFFFAOYSA-N,762.270794016,7.447300000000008,O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,HYDROXYZINE PAMOATE,0.99731,0.93566,0.966485,
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-36144730,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,ANEBWFXPVPTEET-UHFFFAOYSA-N,610.2791349360001,4.953000000000005,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,MANIDIPINE HYDROCHLORIDE,1.3493,1.2993,1.3243,
-37617190,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,FBPFZTCFMRRESA-JGWLITMVSA-N,182.079038168,-3.5854000000000004,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,MANNITOL,1.156,1.0504,1.1032,
-43229521,CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl,NZDMFGKECODQRY-UHFFFAOYSA-N,313.159727448,4.633200000000005,CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl,MAPROTILINE HYDROCHLORIDE,0.94736,0.99469,0.971025,
-59783003,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1,BPFYOAJNDMUVBL-UHFFFAOYSA-N,362.139033308,0.5083000000000002,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1,MARBOFLOXACIN,0.13602,0.15415,0.145085,
-89357070,O=C1CCC[C@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@H]34,ZSBXGIUJOOQZMP-UKTARXLSSA-N,248.188863388,1.8717,O=C1CCC[C@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@H]34,MATRINE,0.94989,0.96007,0.95498,
-53318691,COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,OPXLLQIJSORQAM-UHFFFAOYSA-N,295.0956912760001,2.972200000000001,COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,MEBENDAZOLE,0.9388,1.0593,0.99905,
-69978548,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl,PLGQWYOULXPJRE-UHFFFAOYSA-N,465.22820093199994,5.0243000000000055,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl,MEBEVERINE HYDROCHLORIDE,1.2147,1.2109,1.2128,
-88447197,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,FQQIIPAOSKSOJM-UHFFFAOYSA-N,276.16264864,3.677500000000003,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,MEBHYDROLIN,0.8055,1.004,0.90475,
-24843747,CNC1(C)C2CCC(C2)C1(C)C.Cl,PKVZBNCYEICAQP-UHFFFAOYSA-N,203.14407738399998,2.842400000000002,CNC1(C)C2CCC(C2)C1(C)C.Cl,MECAMYLAMINE HYDROCHLORIDE,1.167,1.0163,1.09165,
-59571496,CN(CCCl)CCCl,HAWPXGHAZFHHAD-UHFFFAOYSA-N,155.026854712,1.3958,CN(CCCl)CCCl,MECHLORETHAMINE,0.49301,0.44473,0.46887,
-61905130,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl,VCTHNOIYJIXQLV-UHFFFAOYSA-N,462.139631968,6.399220000000007,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl,MECLIZINE HYDROCHLORIDE,1.2033,1.2004,1.20185,
-38956672,Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.[Na+],OGPIIGMUPMPMNT-UHFFFAOYSA-M,316.9986282,0.4129200000000009,Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.[Na+],MECLOFENAMATE SODIUM,0.79238,0.80331,0.797845,
-95129735,CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl,FIVHOHCAXWQPGC-UHFFFAOYSA-N,293.058548764,2.2454000000000005,CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl,MECLOFENOXATE HYDROCHLORIDE,1.1001,1.0071,1.0536,
-10723316,COC(=O)C(N)CS.Cl,WHOHXJZQBJXAKL-UHFFFAOYSA-N,171.01207724,-0.16169999999999973,COC(=O)C(N)CS.Cl,MECYSTEINE HYDROCHLORIDE,1.0043,0.96413,0.984215,
-76517596,CC(=O)O[C@]1(C(C)=O)CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,PSGAAPLEWMOORI-GDXVCIIOSA-N,386.245709568,4.655200000000004,CC(=O)O[C@]1(C(C)=O)CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,MEDROXYPROGESTERONE ACETATE,1.0935,1.0475,1.0705,
-24153547,CC(=O)[C@H]1CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C,GZENKSODFLBBHQ-IENIWFQZSA-N,344.23514488399996,3.9403000000000032,CC(=O)[C@H]1CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C,MEDRYSONE,0.83514,0.95326,0.8942,
-64188042,Cc1cccc(Nc2ccccc2C(=O)O)c1C,HYYBABOKPJLUIN-UHFFFAOYSA-N,241.11027872,3.7452400000000017,Cc1cccc(Nc2ccccc2C(=O)O)c1C,MEFENAMIC ACID,1.1054,1.0784,1.0919,
-55859006,CCN(CC)CCNC(=O)COc1ccc(OC)cc1.Cl,AXBHPHPHZHAOAK-UHFFFAOYSA-N,316.15537034,1.9537999999999998,CCN(CC)CCNC(=O)COc1ccc(OC)cc1.Cl,MEFEXAMIDE HYDROCHLORIDE,0.8512,1.0333,0.94225,
-79764923,Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,WESWYMRNZNDGBX-UHFFFAOYSA-N,414.09336016400005,4.869700000000003,Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,MEFLOQUINE HYDROCHLORIDE,0.14875,0.16341,0.15608,
-43576023,CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C,RQZAXGRLVPAYTJ-VSUSFZLSSA-N,384.230059504,4.575300000000005,CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C,MEGESTROL ACETATE,1.0856,1.1358,1.1107,
-21531110,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,MBBZMMPHUWSWHV-BDVNFPICSA-N,195.110672644,-3.3582999999999994,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,MEGLUMINE,0.99681,0.96821,0.98251,
-11452537,CC(O)(CC(=O)O)CC(=O)O,NPOAOTPXWNWTSH-UHFFFAOYSA-N,162.05282342,-0.3132,CC(O)(CC(=O)O)CC(=O)O,MEGLUTOL,0.83219,0.97446,0.903325,
-10692013,COc1ccc2[nH]cc(CCNC(C)=O)c2c1,DRLFMBDRBRZALE-UHFFFAOYSA-N,232.121177752,1.8550999999999997,COc1ccc2[nH]cc(CCNC(C)=O)c2c1,MELATONIN,0.91041,0.88458,0.897495,
-77562072,C=C1CC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O,UDKABVSQKJNZBH-PQQMIVRBSA-N,396.23005950399994,4.741400000000004,C=C1CC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O,MELENGESTROL ACETATE,1.0113,0.94772,0.97951,
-16353089,OC[C@H]1O[C@@](CO)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,QWIZNVHXZXRPDR-VZSOOJPNSA-N,504.1690349439998,-7.571399999999989,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,MELEZITOSE,1.2346,1.2539,1.24425,
-94966076,OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,DLRVVLDZNNYCBX-ZZFZYMBESA-N,342.11621152399994,-5.397199999999993,OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,MELIBIOSE,1.0636,1.3986,1.2311,
-95821763,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,ZRVUJXDFFKFLMG-UHFFFAOYSA-N,351.034747896,1.95092,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,MELOXICAM,0.9853,0.99839,0.991845,
-10313878,N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,SGDBTWWWUNNDEQ-LBPRGKRZSA-N,304.07453317599993,1.925,N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,MELPHALAN,0.92512,1.0387,0.98191,
-78038876,CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl,LDDHMLJTFXJGPI-UHFFFAOYSA-N,215.14407738399998,3.1159000000000012,CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl,MEMANTINE HYDROCHLORIDE,0.91017,1.0026,0.956385,
-55046452,CC1=CC(=O)c2ccccc2C1=O,MJVAVZPDRWSRRC-UHFFFAOYSA-N,172.052429496,2.0119000000000002,CC1=CC(=O)c2ccccc2C1=O,MENADIONE,0.50695,0.62148,0.564215,
-29557267,CC(C)=CCC/C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O,PTWSIIUEOFZCHW-UHFFFAOYSA-N,308.177630008,5.464900000000005,CC(C)=CCC/C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O,MENAQUINONE-4,0.98023,1.1233,1.051765,
-10935461,COc1ccc(C(=O)CCC(=O)O)c2ccccc12,FHGJSJFIQNQBCK-UHFFFAOYSA-N,258.089208928,2.895900000000001,COc1ccc(C(=O)CCC(=O)O)c2ccccc12,MENBUTONE,1.2055,1.1465,1.176,
-59957172,CC(C)[C@@H]1CC[C@@H](C)CC1=O,NFLGAXVYCFJBMK-BDAKNGLRSA-N,154.135765196,2.6477000000000013,CC(C)[C@@H]1CC[C@@H](C)CC1=O,MENTHONE,0.91998,1.0991,1.00954,
-74531700,C#CC(C)(O)CC,QXLPXWSKPNOQLE-UHFFFAOYSA-N,98.07316494,0.7806,C#CC(C)(O)CC,MEPARFYLON,0.87255,1.0663,0.969425,
-41233420,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],JRRNZNSGDSFFIR-UHFFFAOYSA-M,419.109605792,-0.291499999999999,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],MEPENZOLATE BROMIDE,1.0346,1.1505,1.09255,
-51500824,Cc1ccccc1OCC(O)CO,JWDYCNIAQWPBHD-UHFFFAOYSA-N,182.094294308,0.7270199999999998,Cc1ccccc1OCC(O)CO,MEPHENESIN,1.033,1.1031,1.06805,
-96088923,CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O,NZKLHVGUPFNBFD-UHFFFAOYSA-N,261.10347908800003,1.5743,CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O,MEPHENTERMINE SULFATE,0.94803,0.90987,0.92895,
-64340083,CCC1(c2ccccc2)NC(=O)N(C)C1=O,GMHKMTDVRCWUDX-UHFFFAOYSA-N,218.105527688,1.4735000000000003,CCC1(c2ccccc2)NC(=O)N(C)C1=O,MEPHENYTOIN,1.1857,1.3085,1.2471,
-43939942,[O-][n+]1cccc(CO)c1,LQYJAVWWKTWWKN-UHFFFAOYSA-N,125.047678464,-0.1876999999999998,[O-][n+]1cccc(CO)c1,MEPIROXOL,0.99911,0.91552,0.957315,
-94132921,Cc1cccc(C)c1NC(=O)C1CCCCN1C.Cl,RETIMRUQNCDCQB-UHFFFAOYSA-N,282.14989103600004,3.148040000000002,Cc1cccc(C)c1NC(=O)C1CCCCN1C.Cl,MEPIVACAINE HYDROCHLORIDE,1.0739,0.99912,1.03651,
-20000404,CCCNC(C)(C)COC(=O)c1ccccc1.Cl,LKHWKAGQNOMUFQ-UHFFFAOYSA-N,271.133906624,3.0434000000000023,CCCNC(C)(C)COC(=O)c1ccccc1.Cl,MEPRYLCAINE HYDROCHLORIDE,1.0127,1.145,1.07885,
-64347191,COc1ccc(O)cc1,NWVVVBRKAWDGAB-UHFFFAOYSA-N,124.052429496,1.4008,COc1ccc(O)cc1,MEQUINOL,1.2664,1.1193,1.19285,
-10270804,O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg]O)c([O-])c(Br)cc12.[Na+].[Na+],SQFDQLBYJKFDDO-UHFFFAOYSA-K,749.8189437360002,-3.8499999999999996,O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg]O)c([O-])c(Br)cc12.[Na+].[Na+],MERBROMIN,0.53562,0.46415,0.499885,
-43738261,S=c1[nH]cnc2nc[nH]c12,GLVAUDGFNGKCSF-UHFFFAOYSA-N,152.015667128,1.0154899999999998,S=c1[nH]cnc2nc[nH]c12,MERCAPTOPURINE,0.92033,1.2081,1.064215,
-15393670,CC1=C2C(O)C(=O)OC3CC4C(C)(C)C(=O)C=C[C@]4(C)C(CC1)[C@]23C,XQOSNJUURCKQGN-AXSGJTORSA-N,344.198759376,3.1968000000000023,CC1=C2C(O)C(=O)OC3CC4C(C)(C)C(=O)C=C[C@]4(C)C(CC1)[C@]23C,MEROGEDUNIN,0.92808,0.90514,0.91661,
-12579835,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12,DMJNNHOOLUXYBV-JSEGGCCYSA-N,383.15149190000005,-0.3079999999999994,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12,MEROPENEM,0.16911,0.17265,0.17088,
-68659112,Nc1ccc(O)c(C(=O)O)c1,KBOPZPXVLCULAV-UHFFFAOYSA-N,153.042593084,0.6726000000000001,Nc1ccc(O)c(C(=O)O)c1,MESALAMINE,0.90173,0.96987,0.9358,
-11151907,O=S(=O)([O-])CCS.[Na+],XOGTZOOQQBDUSI-UHFFFAOYSA-M,163.9577803,-3.534599999999999,O=S(=O)([O-])CCS.[Na+],MESNA,1.1763,0.98846,1.08238,
-66174623,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1,KPUREKXXPHOJQT-UHFFFAOYSA-N,339.041272756,1.1193000000000002,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1,MESOTRIONE,1.0147,0.96908,0.99189,
-11656889,C#C[C@]1(O)CCC2C3CCc4cc(OC)ccc4C3CC[C@@]21C,IMSSROKUHAOUJS-VYJKVFMHSA-N,310.193280072,3.915600000000003,C#C[C@]1(O)CCC2C3CCc4cc(OC)ccc4C3CC[C@@]21C,MESTRANOL,1.141,1.2825,1.21175,
-26112965,CC(=O)Oc1cccc(C)c1,OTGAHJPFNKQGAE-UHFFFAOYSA-N,150.06807956,1.92032,CC(=O)Oc1cccc(C)c1,meta-CRESYL ACETATE,1.067,1.0067,1.03685,
-34096931,CC(=O)Nc1cccc(O)c1,QLNWXBAGRTUKKI-UHFFFAOYSA-N,151.063328528,1.3505999999999998,CC(=O)Nc1cccc(O)c1,METACETAMOL,0.87876,0.85799,0.868375,
-68023476,Cc1cccc(O)c1,RLSSMJSEOOYNOY-UHFFFAOYSA-N,108.057514876,1.7006199999999998,Cc1cccc(O)c1,METACRESOL,0.83446,0.83176,0.83311,
-10379936,COc1cc2c(cc1OC)C(=O)OC2,UKFAWRZYFYOXEG-UHFFFAOYSA-N,194.0579088,1.3741999999999999,COc1cc2c(cc1OC)C(=O)OC2,METAMECONINE,0.90801,0.97156,0.939785,
-52933413,CC(C)NCC(O)c1cc(O)cc(O)c1,LMOINURANNBYCM-UHFFFAOYSA-N,211.120843404,1.1291999999999998,CC(C)NCC(O)c1cc(O)cc(O)c1,METAPROTERENOL,0.75816,1.2235,0.99083,
-89297886,C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O,VENXSELNXQXCNT-IJYXXVHRSA-N,317.111066568,-1.3497999999999999,C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O,METARAMINOL BITARTRATE,1.0479,0.96983,1.008865,
-11522885,Cc1cc(C)cc(OCC2CNC(=O)O2)c1,IMWZZHHPURKASS-UHFFFAOYSA-N,221.10519334,1.7906399999999998,Cc1cc(C)cc(OCC2CNC(=O)O2)c1,METAXALONE,0.9477,1.0281,0.9879,
-13372842,CN1CC(CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)CC21,WZHJKEUHNJHDLS-STDCAVTESA-N,403.22597716800004,4.064700000000003,CN1CC(CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)CC21,METERGOLINE,0.90547,1.0508,0.978135,
-24715199,CN(C)C(=N)NC(=N)N.Cl,OETHQSJEHLVLGH-UHFFFAOYSA-N,165.07812306399998,-0.6123600000000003,CN(C)C(=N)NC(=N)N.Cl,METFORMIN HYDROCHLORIDE,0.94913,1.1649,1.057015,
-42357486,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],JHPHVAVFUYTVCL-UHFFFAOYSA-M,195.102606496,-2.3517999999999963,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],METHACHOLINE CHLORIDE,1.102,1.3188,1.2104,
-63461853,C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl,VZQARNDJLLWXGL-CCHMMTNSSA-N,478.11429337600003,-0.016099999999999226,C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl,METHACYCLINE HYDROCHLORIDE,0.16693,0.17793,0.17243,
-45771245,CN(C)CCN(Cc1cccs1)c1ccccn1.Cl,BONORRGKLJBGRV-UHFFFAOYSA-N,297.10664632,3.133100000000002,CN(C)CCN(Cc1cccs1)c1ccccn1.Cl,METHAPYRILENE HYDROCHLORIDE,1.1439,0.93017,1.037035,
-10187710,C1N2CN3CN1CN(C2)C3,VKYKSIONXSXAKP-UHFFFAOYSA-N,140.106196384,-1.0197999999999992,C1N2CN3CN1CN(C2)C3,METHENAMINE,0.85499,1.0842,0.969595,
-92312435,COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].[Na+],MGFZNWDWOKASQZ-UMLIZJHQSA-M,402.086151608,-3.381599999999996,COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+],METHICILLIN SODIUM,1.0846,1.1696,1.1271,
-81226581,Cn1cc[nH]c1=S,PMRYVIKBURPHAH-UHFFFAOYSA-N,114.02516919199999,1.08269,Cn1cc[nH]c1=S,METHIMAZOLE,0.81941,1.013,0.916205,
-50708337,CSCC[C@H](N)C(=O)O,FFEARJCKVFRZRR-BYPYZUCNSA-N,149.051049592,0.1513999999999998,CSCC[C@H](N)C(=O)O,METHIONINE (L),0.87317,0.85255,0.86286,
-10178579,COc1ccccc1OCC(O)COC(N)=O,GNXFOGHNGIVQEH-UHFFFAOYSA-N,241.09502258,0.5302000000000002,COc1ccccc1OCC(O)COC(N)=O,METHOCARBAMOL,0.90083,1.0574,0.979115,
-73847016,COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C,NFGXHKASABOEEW-MRXNPFEDSA-N,310.25079494799996,5.062000000000006,COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C,METHOPRENE (S),1.0751,1.0736,1.07435,
-62063949,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1.O,FPJYMUQSRFJSEW-UHFFFAOYSA-N,472.1818804879999,-0.5562999999999987,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1.O,METHOTREXATE HYDRATE,0.98021,1.1498,1.065005,
-33494389,COc1ccc(OC)c(C(O)C(C)N)c1.Cl,YGRFXPCHZBRUKP-UHFFFAOYSA-N,247.097521116,1.5062,COc1ccc(OC)c(C(O)C(C)N)c1.Cl,METHOXAMINE HYDROCHLORIDE,1.1496,1.4292,1.2894,
-97549743,COc1c2occc2cc2ccc(=O)oc12,QXKHYNVANLEOEG-UHFFFAOYSA-N,216.042258736,2.5478000000000005,COc1c2occc2cc2ccc(=O)oc12,METHOXSALEN,0.96163,0.89892,0.930275,
-84838690,COc1cc(C)c2c(=O)c(-c3ccccc3)coc2c1,WGOUYULOZZRTFS-UHFFFAOYSA-N,266.09429430800003,3.777020000000003,COc1cc(C)c2c(=O)c(-c3ccccc3)coc2c1,METHOXYVONE,0.99636,1.1503,1.07333,
-71693670,C[N+]1(C)C2CC(OC(=O)[C@@H](CO)c3ccccc3)CC1C1OC12.[Br-],CXYRUNPLKGGUJF-DDCDRLIVSA-M,397.08887034799994,-1.9332999999999958,C[N+]1(C)C2CC(OC(=O)[C@@H](CO)c3ccccc3)CC1C1OC12.[Br-],METHSCOPOLAMINE BROMIDE,1.1363,1.2625,1.1994,
-63118944,CN1C(=O)CC(C)(c2ccccc2)C1=O,AJXPJJZHWIXJCJ-UHFFFAOYSA-N,203.094628656,1.333,CN1C(=O)CC(C)(c2ccccc2)C1=O,METHSUXIMIDE,0.87095,1.0528,0.961875,
-48581852,CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,CESYKOGBSMNBPD-UHFFFAOYSA-N,358.956803192,0.5983000000000003,CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,METHYCLOTHIAZIDE,0.88779,1.0405,0.964145,
-13661254,C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]12C,QFRUZVNPYYYLAN-JQFPPNBKSA-N,472.2461034919999,4.354100000000003,C=C1[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@H](O)C(C)(C)[C@H](CC(=O)OC)[C@]12C,METHYL 3-DEOXY-3beta-HYDROXYANGOLENSATE,1.106,0.96032,1.03316,
-95036534,C=C1C2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](C(O)C(=O)OC)[C@@]21C,GOYZKWCPWBKPIG-RNKBQGBYSA-N,486.2253680479999,3.533100000000002,C=C1C2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](C(O)C(=O)OC)[C@@]21C,METHYL 6-HYDROXYANGOLENSATE,1.0682,1.1913,1.12975,
-11555072,COC(=O)CCC(C)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,DLYVTEULDNMQAR-WRELVWFXSA-N,422.3032244439999,3.537100000000003,COC(=O)CCC(C)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,METHYL CHOLATE,0.91113,0.83966,0.875395,
-14039487,COC(=O)CCC(C)C1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C,ZHUOOEGSSFNTNP-HWAYZWBCSA-N,406.30830982399993,4.566300000000005,COC(=O)CCC(C)C1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C,METHYL DEOXYCHOLATE,0.91428,0.92327,0.918775,
-12597837,COC(=O)c1cc(OC)c(OC)c(OC)c1,KACHFMOHOPLTNX-UHFFFAOYSA-N,226.084123548,1.4989999999999999,COC(=O)c1cc(OC)c(OC)c(OC)c1,METHYL EUDESMATE,0.8861,1.0014,0.94375,
-52966225,COC(=O)c1c(C)cc(O)cc1O,NCCWCZLEACWJIN-UHFFFAOYSA-N,182.0579088,1.1928199999999995,COC(=O)c1c(C)cc(O)cc1O,METHYL ORSELLINATE,0.90842,0.91016,0.90929,
-11753932,COC(=O)c1ccc(O)cc1,LXCFILQKKLGQFO-UHFFFAOYSA-N,152.047344116,1.1788,COC(=O)c1ccc(O)cc1,METHYL PARABEN,1.0749,1.2215,1.1482,
-24794109,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1,RLBIQVVOMOPOHC-UHFFFAOYSA-N,263.00173005,2.4909,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1,METHYL PARATHIONE,1.1004,0.94884,1.02462,
-26604157,COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1,KLXHCGFNNUQTEY-UHFFFAOYSA-N,252.099773612,1.8985999999999998,COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1,METHYL TRIMETHOXYCINNAMATE,0.97578,1.039,1.00739,
-10196103,COC(=O)CCc1ccc(OC)cc1O,QPFCWJXXUBGYFW-UHFFFAOYSA-N,210.089208928,1.5063999999999997,COC(=O)CCc1ccc(OC)cc1O,METHYL-2-HYDROXY-PHENYLPROPRIONATE,1.0482,1.0184,1.0333,
-49110446,C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-],NEDVJZNVOSNSHF-UHFFFAOYSA-N,366.17908655199994,1.8363999999999998,C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-],METHYLATROPINE NITRATE,1.0149,0.98482,0.99986,
-91316465,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-],QWZLBLDNRUUYQI-UHFFFAOYSA-M,461.306057328,3.384820000000002,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-],METHYLBENZETHONIUM CHLORIDE,0.14411,0.16011,0.15211,
-12618018,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.O.[Cl-],WQVSELLRAGBDLX-UHFFFAOYSA-M,337.10156093999996,0.041899999999999715,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.O.[Cl-],METHYLENE BLUE,1.0668,1.2839,1.17535,
-51514432,COC(=O)C(c1ccccc1)C1CCCCN1.Cl,JUMYIBMBTDDLNG-UHFFFAOYSA-N,269.11825656,2.5071000000000008,COC(=O)C(c1ccccc1)C1CCCCN1.Cl,METHYLPHENIDATE HYDROCHLORIDE,1.2355,1.3439,1.2897,
-48885242,C[C@H]1CC2C([C@@H](O)C[C@@]3(C)C2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12,VHRSUDSXCMQTMA-IETLARDKSA-N,374.20932406,1.8036,C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12,METHYLPREDNISOLONE,1.0371,0.96765,1.002375,
-10586534,C[C@H]1CC2C([C@@H](O)C[C@@]3(C)C2CC[C@]3(O)C(=O)COC(=O)CCC(=O)[O-])[C@@]2(C)C=CC(=O)C=C12.[Na+],FQISKWAFAHGMGT-MQZBRENASA-M,496.207312296,-2.1113999999999935,C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12.[Na+],METHYLPREDNISOLONE SODIUM SUCCINATE,1.0475,0.86885,0.958175,
-18367436,COc1cc(OC)c(C(C)=O)c(O)c1C,AAOFJKLTRKOQTQ-UHFFFAOYSA-N,210.089208928,1.9204199999999998,COc1cc(OC)c(C(C)=O)c(O)c1C,METHYLXANTHOXYLIN,1.2553,1.2191,1.2372,
-66818330,CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O,LWYXFDXUMVEZKS-MZAYEULESA-N,469.22128571199994,1.6468999999999996,CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O,METHYSERGIDE MALEATE,1.2284,1.2313,1.22985,
-17149417,Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2,FNQQBFNIYODEMB-UHFFFAOYSA-N,275.02859989600006,0.36232000000000025,Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2,METICRANE,0.97615,1.1044,1.040275,
-48994249,CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CZMDZGZYKOGLJY-UHFFFAOYSA-N,452.126205756,3.908300000000003,CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,METITEPINE MESYLATE,0.12509,0.15189,0.13849,
-27077246,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl,RVFUNJWWXKCWNS-UHFFFAOYSA-N,335.116732336,2.4242000000000004,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl,METOCLOPRAMIDE HYDROCHLORIDE,0.98772,0.9532,0.97046,
-94322130,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,AQCHWTWZEMGIFD-UHFFFAOYSA-N,365.060090052,2.714120000000001,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,METOLAZONE,0.89844,1.353,1.12572,
-27334680,COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O,WPTKISQJQVFSQI-UHFFFAOYSA-N,417.19988157199987,-0.5093999999999974,COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O,METOPROLOL TARTRATE,1.0636,1.0375,1.05055,
-37511532,CC(C)(C(=O)c1cccnc1)c1cccnc1,FJLBFSROUSIWMA-UHFFFAOYSA-N,226.110613068,2.637100000000001,CC(C)(C(=O)c1cccnc1)c1cccnc1,METYRAPONE,0.86468,0.9808,0.92274,
-45607535,CC1(O)CCOC(=O)C1,JYVXNLLUYHCIIH-UHFFFAOYSA-N,130.06299418,0.07440000000000002,CC1(O)CCOC(=O)C1,MEVALONIC ACID LACTONE,1.106,1.2456,1.1758,
-74438143,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)C(CCC3C[C@@H](O)CC(=O)O3)[C@H]21,AJLFOPYRIVGYMJ-JGKZIMKKSA-N,390.2406241879999,3.949500000000003,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)C(CCC3C[C@@H](O)CC(=O)O3)[C@H]21,MEVASTATIN,1.008,1.0312,1.0196,
-44941632,COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,MJVGBKJNTFCUJM-UHFFFAOYSA-N,242.094294308,2.940220000000001,COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,MEXENEONE,1.117,1.0489,1.08295,
-75427988,COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O,DNFJSIPZGYBGON-UOJRNWJQSA-N,468.214803364,4.364000000000004,COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O,MEXICANOLIDE,1.1421,1.1672,1.15465,
-46275263,Cc1cccc(C)c1OCC(C)N.Cl,NFEIBWMZVIVJLQ-UHFFFAOYSA-N,215.107691876,2.45124,Cc1cccc(C)c1OCC(C)N.Cl,MEXILETINE HYDROCHLORIDE,1.0827,1.1233,1.103,
-10255427,CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl,YNPFMWCWRVTGKJ-UHFFFAOYSA-N,300.139326352,3.505700000000003,CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl,MIANSERIN HYDROCHLORIDE,0.98876,1.1526,1.07068,
-53253223,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,MCCACAIVAXEFAL-UHFFFAOYSA-N,476.98166667999993,6.107100000000003,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,MICONAZOLE NITRATE,1.0848,1.1707,1.12775,
-10176447,COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl,MGCQZNBCJBRZDT-UHFFFAOYSA-N,290.103334768,0.23390000000000027,COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl,MIDODRINE HYDROCHLORIDE,1.1486,0.85122,0.99991,
-10584731,CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,VKHAHZOOUSRJNA-YYTJNDDGSA-N,429.26677936000004,5.406500000000006,CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,MIFEPRISTONE,0.91413,0.93549,0.92481,
-59175883,OCCN1C[C@@H](O)[C@@H](O)C(O)C1CO,IBAQFPQHRJAVAV-WMEPKMGJSA-N,207.110672644,-3.262099999999999,OCCN1C[C@@H](O)[C@@H](O)C(O)C1CO,MIGLITOL,0.90876,0.9788,0.94378,
-85796367,CCN(CC)C(=O)C1(c2ccccc2)CC1CN.Cl,XNCDYJFPRPDERF-UHFFFAOYSA-N,282.14989103600004,2.1931999999999996,CCN(CC)C(=O)C1(c2ccccc2)CC1CN.Cl,MILNACIPRAN HYDROCHLORIDE,0.88089,1.0579,0.969395,
-43882464,Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,PZRHRDRVRGEVNW-UHFFFAOYSA-N,211.074561908,1.617,Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,MILRINONE,0.99573,1.1072,1.051465,
-11369741,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,PQLXHQMOHUQAKB-UHFFFAOYSA-N,407.316445582,5.675500000000006,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,MILTEFOSINE [5mM],0.8706,0.91147,0.891035,
-54399509,NC(Cn1ccc(=O)c(O)c1)C(=O)O,WZNJWVWKTVETCG-UHFFFAOYSA-N,198.0640568,-1.0342000000000002,NC(Cn1ccc(=O)c(O)c1)C(=O)O,MIMOSINE,1.1137,1.2862,1.19995,
-80945726,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,GNUCGROXDZMCJI-UHFFFAOYSA-N,370.132716748,3.0397200000000018,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,MINAPRINE HYDROCHLORIDE,1.0857,1.217,1.15135,
-55556699,CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl,GLMUAFMGXXHGLU-VQAITOIOSA-N,493.1615779159999,0.6084,CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl,MINOCYCLINE HYDROCHLORIDE,0.19831,0.21672,0.207515,
-56183473,Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],ZFMITUMMTDLWHR-UHFFFAOYSA-N,209.12766009999999,-0.13029999999999975,Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],MINOXIDIL,0.94743,1.1913,1.069365,
-16505926,CN1CCN2c3ncccc3Cc3ccccc3C2C1,RONZAEMNMFQXRA-UHFFFAOYSA-N,265.157897608,2.4789000000000003,CN1CCN2c3ncccc3Cc3ccccc3C2C1,MIRTAZAPINE,0.84624,0.94268,0.89446,
-63232857,CO[C@@]12[C@@H]3NC3CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@@H]2COC(N)=O,NWIBSHFKIJFRCO-CPKMXBGFSA-N,334.127719676,-1.6511999999999971,CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1N[C@H]12,MITOMYCIN,0.15576,0.18583,0.170795,
-68663062,Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,JWBOIMRXGHLCPP-UHFFFAOYSA-N,317.95366104,5.929000000000002,Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,MITOTANE,0.83087,0.8874,0.859135,
-59994145,Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,ZAHQPTJLOCWVPG-UHFFFAOYSA-N,516.1542400400001,0.7043999999999995,Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,MITOXANTRONE HYDROCHLORIDE,1.9155,1.9973,1.9564,
-69692516,COC(=O)C1=CO[C@@H](C)C2CN3CC[C@]4(C(=O)Nc5ccccc54)C3C[C@H]12,JMIAZDVHNCCPDM-HQBJOTRLSA-N,368.173607248,2.062499999999999,COC(=O)C1=CO[C@@H](C)C2CN3CC[C@]4(C(=O)Nc5ccccc54)C3C[C@H]12,MITRAPHYLLINE,0.95553,1.0404,0.997965,
-10661495,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O,HZQDCMWJEBCWBR-UUOKFMHZSA-N,259.080435136,-2.7009,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O,MIZORIBINE,0.92189,0.93103,0.92646,
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-75376110,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,XLFWDASMENKTKL-UHFFFAOYSA-N,242.101504928,0.09200000000000008,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,MOLSIDOMINE,0.90914,0.88068,0.89491,
-24733971,C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,WOFMFGQZHJDGCX-NKEDMXMMSA-N,520.1419440399999,4.869200000000005,C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,MOMETASONE FUROATE,1.1521,1.174,1.16305,
-18544867,CC[C@@]1(C2O[C@@H](C3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CCC3(C[C@H](O)[C@@H](C)[C@@H]([C@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+],XOIQMTLWECTKJL-UMXQUJEHSA-M,692.4111570520001,-0.057799999999991414,CC[C@@]1(C2O[C@@H](C3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CCC3(C[C@H](O)[C@@H](C)[C@@H]([C@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+],MONENSIN SODIUM,1.0248,1.0053,1.01505,
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-11723572,C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O,MINDHVHHQZYEEK-OYXVVHJOSA-N,500.29853298799986,2.5925000000000016,C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O,MUPIROCIN,1.0552,0.8825,0.96885,
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-45381360,COc1cccc(C=O)c1OC,JIVGSHFYXPRRSZ-UHFFFAOYSA-N,166.06299418,1.5162999999999998,COc1cccc(C=O)c1OC,o-VERATRALDEHYDE,0.94085,0.98497,0.96291,
-11483941,C=C(C)[C@H]1COc2cc3oc(=O)ccc3cc2O1,DUECABXXAMFFBH-CYBMUJFWSA-N,244.073558864,2.5089000000000006,C=C(C)[C@H]1COc2cc3oc(=O)ccc3cc2O1,OBLIQUIN,1.0582,0.91874,0.98847,
-49570962,COC1=CC(=O)C(O)=C/C1=C\C=C\c1ccccc1,LUZUAYAKZLCOCQ-UHFFFAOYSA-N,254.094294308,3.1811000000000016,COC1=CC(=O)C(O)=C/C1=C\C=C\c1ccccc1,OBTUSAQUINONE,1.1229,0.98449,1.053695,
-86158139,CCCC[C@@H](CC)COC(=O)/C=C/c1ccc(OC)cc1,YBGZDTIWKVFICR-OAHLLOKOSA-N,290.18819469199997,4.468000000000004,CCCC[C@@H](CC)COC(=O)/C=C/c1ccc(OC)cc1,OCTINOXATE,1.1854,1.1646,1.175,
-10601146,CCCC[C@@H](CC)COC(=O)c1ccccc1O,FMRHJJZUHUTGKE-GFCCVEGCSA-N,250.156894564,3.7654000000000036,CCCC[C@@H](CC)COC(=O)c1ccccc1O,OCTISALATE,1.0462,0.80714,0.92667,
-67885281,CCCC[C@@H](CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,FMJSMJQBSVNSBF-LJQANCHMSA-N,361.20417910400005,5.771680000000005,CCCC[C@@H](CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,OCTOCRYLENE,1.2699,1.4134,1.34165,
-88730849,CC(C)CCCC(C)N,QNIVIMYXGGFTAK-UHFFFAOYSA-N,129.151749608,2.1599000000000004,CC(C)CCCC(C)N,OCTODRINE,0.96482,1.0431,1.00396,
-24085511,Cl.NCC(O)c1ccc(O)cc1,PUMZXCBVHLCWQG-UHFFFAOYSA-N,189.055656304,0.8061,Cl.NCC(O)c1ccc(O)cc1,OCTOPAMINE HYDROCHLORIDE,0.96305,0.97355,0.9683,
-25772369,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,GSDSWSVVBLHKDQ-UHFFFAOYSA-N,361.14378433999997,1.5439999999999998,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,OFLOXACIN,0.15279,0.15601,0.1544,
-38598995,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,KVWDHTXUZHCGIO-UHFFFAOYSA-N,312.14086764,3.4392200000000033,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,OLANZAPINE,0.9555,0.96065,0.958075,
-11343196,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@]43C)C2C1,MIJYXULNPSFWEK-LGSDIRQTSA-N,456.36034539599996,7.233600000000009,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@]43C)C2C1,OLEANOLIC ACID,0.89419,0.82038,0.857285,
-73055287,CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C,RIXNFYQZWDGQAE-JMGFFJFSSA-N,498.37091007999993,7.804400000000009,CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C,OLEANOLIC ACID ACETATE,0.81414,0.86405,0.839095,
-80170804,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,VTRAEEWXHOVJFV-UHFFFAOYSA-N,446.2066386920001,3.656600000000002,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,OLMESARTAN,0.96305,1.0536,1.008325,
-46153384,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,UQGKUQLKSCSZGY-UHFFFAOYSA-N,558.2226826800002,4.170020000000003,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,OLMESARTAN MEDOXOMIL,0.88061,1.0156,0.948105,
-44861161,CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,HVRLZEKDTUEKQH-UHFFFAOYSA-N,373.14447130799994,4.011300000000004,CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,OLOPATADINE HYDROCHLORIDE,0.13172,0.15636,0.14404,
-94581216,Cc1c(-c2cnccn2)ssc1=S,CKNAQFVBEHDJQV-UHFFFAOYSA-N,225.969311192,3.3045100000000014,Cc1c(-c2cnccn2)ssc1=S,OLTIPRAZ,1.1352,1.4456,1.2904,
-59895375,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC,SSQPWTVBQMWLSZ-UHFFFAOYSA-N,330.255880328,6.471200000000007,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC,OMEGA-3-ACID ESTERS (EPA shown),1.1409,0.97749,1.059195,
-73362195,COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1,SUBDBMMJDZJVOS-UHFFFAOYSA-N,345.11471246800005,2.8997400000000004,COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1,OMEPRAZOLE,1.0096,1.0128,1.0112,
-80530534,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl,MKBLHFILKIKSQM-UHFFFAOYSA-N,329.12948994,3.5503200000000033,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl,ONDANSETRON HYDROCHLORIDE,1.0358,0.89836,0.96708,
-94645383,COc1ccc(CC(=O)c2ccc(O)cc2O)cc1,XHBZOAYMBBUURD-UHFFFAOYSA-N,258.089208928,2.5318000000000005,COc1ccc(CC(=O)c2ccc(O)cc2O)cc1,ONONETIN,0.95645,0.87036,0.913405,
-14888711,C[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1,QIPQASLPWJVQMH-DTORHVGOSA-N,395.14567616000005,2.6385000000000005,C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1,ORBIFLOXACIN,0.12654,0.15689,0.141715,
-42043687,CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O,AHLBNYSZXLDEJQ-GWMMUDDPSA-N,495.39237379599996,6.881900000000007,CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O,ORLISTAT,1.1216,1.0285,1.07505,
-34210217,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,IPWKIXLWTCNBKN-UHFFFAOYSA-N,219.04106886,0.6994199999999999,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,ORNIDAZOLE,1.0585,1.0658,1.06215,
-38871832,NCCCC(N)C(=O)O.NCCCC(N)C(=O)O.O=C(O)CCC(=O)C(=O)O,MXZWEWUFDLGQKZ-UHFFFAOYSA-N,410.2012785399999,-2.220699999999993,NCCCC(N)C(=O)O.NCCCC(N)C(=O)O.O=C(O)CCC(=O)C(=O)O,ORNITHINE aKETOGLUTARATE,1.1166,1.0976,1.1071,
-55735961,Cl.NCCCC(N)C(=O)O,GGTYBZJRPHEQDG-UHFFFAOYSA-N,168.066555336,-0.4410000000000001,Cl.NCCCC(N)C(=O)O,ORNITHINE HYDROCHLORIDE,0.69035,0.97456,0.832455,
-51779780,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,PXQPEWDEAKTCGB-UHFFFAOYSA-N,156.017106608,-1.2386000000000001,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,OROTIC ACID,0.83876,0.9157,0.87723,
-10668604,Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,MMMNTDFSPSQXJP-UHFFFAOYSA-N,461.20496695199984,2.4141199999999996,Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,ORPHENADRINE CITRATE,0.9651,0.8876,0.92635,
-15858853,Cc1cc(O)cc(O)c1C(=O)O,AMKYESDOVDKZKV-UHFFFAOYSA-N,168.042258736,1.1044199999999997,Cc1cc(O)cc(O)c1C(=O)O,ORSELLINIC ACID,0.96496,0.94664,0.9558,
-10011876,CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,DCTLJGWMHPGCOS-UHFFFAOYSA-N,404.1623738679999,5.564100000000006,CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,OSAJIN,0.94649,0.72144,0.833965,
-41901600,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O,PGZUMBJQJWIWGJ-ONAKXNSWSA-N,410.18180258199993,0.3568000000000003,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O,OSELTAMIVIR PHOSPHATE,0.97925,1.1043,1.041775,
-14538674,C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4C(CC[C@]3(O)C2)[C@@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O.O.O.O.O.O.O.O.O,TYBARJRCFHUHSN-YQCGFSFQSA-N,728.3677943200001,-8.112599999999986,C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4C(CC[C@]3(O)C2)[C@@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O.O.O.O.O.O.O.O.O,OUABAIN OCTAHYDRATE,0.87318,0.92534,0.89926,
-10068711,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].[Na+],VDUVBBMAXXHEQP-XUHZAHOXSA-M,423.08648595599993,-2.4353799999999968,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+],OXACILLIN SODIUM,0.93101,0.91727,0.92414,
-65532797,NC1CCCC[C@H]1N.O=C1O[Pt]OC1=O,ZROHGHOFXNOHSO-BLJHELNISA-L,397.06014802799996,-0.7861,NC1CCCC[C@H]1N.O=C1O[Pt]OC1=O,OXALIPLATIN,0.92278,0.9002,0.91149,
-69538746,CN1CCCN=C1/C=C/c1cccc(O)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,CCOAINFUFGBHBA-UHFFFAOYSA-N,604.2209513639999,6.530800000000007,CN1CCCN=C1/C=C/c1cccc(O)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,OXANTEL PAMOATE,1.0243,1.0323,1.0283,
-26454321,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,OFPXSFXSNFPTHF-UHFFFAOYSA-N,293.10519334,4.025800000000003,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,OXAPROZIN,1.1083,0.96096,1.03463,
-15212506,NC(=O)N1c2ccccc2CC(=O)c2ccccc21,CTRLABGOLIVAIY-UHFFFAOYSA-N,252.089877624,2.6422000000000008,NC(=O)N1c2ccccc2CC(=O)c2ccccc21,OXCARBAZEPINE,0.90842,0.96756,0.93799,
-10920823,CNCC(O)c1ccc(O)cc1,YRCWQPVGYLYSOX-UHFFFAOYSA-N,167.094628656,0.645,CNCC(O)c1ccc(O)cc1,OXEDRINE,1.1651,1.3885,1.2768,
-10281193,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,KVKJFNUGVOFNGU-UHFFFAOYSA-N,527.2730465119998,2.3975000000000004,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,OXELAIDIN CITRATE,0.92967,1.0572,0.993435,
-39253644,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,FTLDJPRFCGDUFH-UHFFFAOYSA-N,467.314792172,3.2401000000000018,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,OXETHAZAINE,0.36077,0.50677,0.43377,
-44260845,COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,BEZZFPOZAYTVHN-UHFFFAOYSA-N,315.06776227600005,2.9079000000000006,COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,OXFENDAZOLE,0.99479,0.98517,0.98998,
-54380308,CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1,RAOCRURYZCVHMG-UHFFFAOYSA-N,249.11134134,2.5300000000000002,CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1,OXIBENDAZOLE,1.2963,1.1384,1.21735,
-47596851,Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,WVNOAGNOIPTWPT-UHFFFAOYSA-N,489.97691564799993,5.770100000000003,Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,OXICONAZOLE NITRATE,0.75451,1.0901,0.922305,
-15648367,Cl.NCCc1cc(O)c(O)cc1O,QLMRJHFAGVFUAC-UHFFFAOYSA-N,205.050570924,0.7263999999999999,Cl.NCCc1cc(O)c(O)cc1O,OXIDOPAMINE HYDROCHLORIDE,0.96824,0.96569,0.966965,
-90598278,N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,YPZRWBKMTBYPTK-BJDJZHNGSA-N,612.151962464,-3.8767999999999985,N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,OXIGLUTATIONE,0.93537,0.9002,0.917785,
-10224343,O=C(O)c1ccc[n+]([O-])c1,FJCFFCXMEXZEIM-UHFFFAOYSA-N,139.02694302,0.01819999999999994,O=C(O)c1ccc[n+]([O-])c1,OXINIACIC ACID,1.1558,0.92557,1.040685,
-99102346,NC(=O)CN1CC(O)CC1=O,IHLAQQPQKRMGSS-UHFFFAOYSA-N,158.06914218,-1.9350999999999996,NC(=O)CN1CC(O)CC1=O,OXIRACETAM,0.95994,0.88326,0.9216,
-54320379,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,RBZIGQJSMCOHSS-UHFFFAOYSA-N,437.1798148239999,1.3723999999999996,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,OXOLAMINE CITRATE,0.96278,1.335,1.14889,
-67991251,CCn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3.[K+],IZMZWLYILJCPDW-UHFFFAOYSA-M,299.01960410000004,-2.882399999999998,CCn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3.[K+],OXOLINIC ACID,0.1511,0.17398,0.16254,
-74127133,COC[C@]12CN(C=O)C3[C@@H]4[C@H](OC)C1[C@]3(C1CC3(O)C(OC)C(O)C4(OC(C)=O)C1C3OC(=O)c1ccccc1)[C@@H](OC)C[C@H]2O,SVQZFPSKTHNMRD-DZCZYSFVSA-N,645.2785258159998,-0.2153999999999951,COC[C@]12CN(C=O)C3[C@@H]4[C@H](OC)C1[C@]3(C1CC3(O)C(OC)C(O)C4(OC(C)=O)C1C3OC(=O)c1ccccc1)[C@@H](OC)C[C@H]2O,OXONITINE,1.0436,1.1369,1.09025,
-46071388,C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O,RLANKEDHRWMNRO-UHFFFAOYSA-M,283.164439532,-1.725699999999997,C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O,OXTRIPHYLLINE,0.85532,0.89167,0.873495,
-43088854,COc1ccc(C(=O)c2ccccc2)c(O)c1,DXGLGDHPHMLXJC-UHFFFAOYSA-N,228.078644244,2.631800000000001,COc1ccc(C(=O)c2ccccc2)c(O)c1,OXYBENZONE,0.96058,1.0231,0.99184,
-21344347,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,SWIJYDAEGSIQPZ-UHFFFAOYSA-N,393.207071564,3.7647000000000035,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,OXYBUTYNIN CHLORIDE,1.2256,1.212,1.2188,
-11341486,O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl,JYWIYHUXVMAGLG-UHFFFAOYSA-N,398.879031452,5.6171000000000015,O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl,OXYCLOZANIDE,0.64265,0.71995,0.6813,
-22359460,O=C1CCC[C@H]2[C@@H]3CCC[N+]4([O-])CCC[C@H](CN12)[C@H]34,XVPBINOPNYFXID-GALOSNBCSA-N,264.183778008,1.8842999999999999,O=C1CCC[C@H]2[C@@H]3CCC[N+]4([O-])CCC[C@H](CN12)[C@H]34,OXYMATRINE,0.92573,0.8366,0.881165,
-74273188,Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl,BEEDODBODQVSIM-UHFFFAOYSA-N,296.16554110000004,3.2725400000000024,Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl,OXYMETAZOLINE HYDROCHLORIDE,0.92336,1.1254,1.02438,
-89154595,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,HFHZKZSRXITVMK-UHFFFAOYSA-N,324.14739249999997,3.493400000000002,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,OXYPHENBUTAZONE,1.0232,1.0286,1.0259,
-21641591,CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,WXAYTPABEADAAB-UHFFFAOYSA-N,380.18667046800005,3.1535000000000015,CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,OXYPHENCYCLIMINE HYDROCHLORIDE,0.91481,1.0198,0.967305,
-38146364,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-],UKLQXHUGTKWPSR-UHFFFAOYSA-M,427.172206048,0.48810000000000175,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-],OXYPHENONIUM BROMIDE,1.2125,1.3241,1.2683,
-19214834,O=S(=O)(O)O.Oc1cccc2cccnc12,MRUMAIRJPMUAPZ-UHFFFAOYSA-N,243.020143388,1.2875999999999999,O=S(=O)(O)O.Oc1cccc2cccnc12,OXYQUINOLINE HEMISULFATE,0.16874,0.19173,0.180235,
-49013197,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.Cl,UBDNTYUBJLXUNN-IFLJXUKPSA-N,496.12485805999995,-0.8217999999999985,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.Cl,OXYTETRACYCLINE,0.191,0.21126,0.20113,
-11253836,Cl.O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,CWKFWBJJNNPGAM-UHFFFAOYSA-N,264.066555336,2.4510000000000005,Cl.O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,OZAGREL HYDROCHLORIDE,0.97668,1.0848,1.03074,
-94789836,O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,SHZKQBHERIJWAO-UHFFFAOYSA-N,228.089877624,2.0292,O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,OZAGREL HYDROCHLORIDE,1.1064,1.2133,1.15985,
-42153845,COc1ccc(C(=O)O)cc1,ZEYHEAKUIGZSGI-UHFFFAOYSA-N,152.047344116,1.3934,COc1ccc(C(=O)O)cc1,p-ANISIC ACID,0.98202,1.1958,1.08891,
-10268329,COc1cc2c(cc1-c1cc3cc4ccoc4cc3oc1=O)OCO2,PENSQRMNZZWMGV-UHFFFAOYSA-N,336.0633881039999,3.943500000000003,COc1cc2c(cc1-c1cc3cc4ccoc4cc3oc1=O)OCO2,PACHYRRHIZIN,0.83716,0.86419,0.850675,
-91394104,CC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,RCINICONZNJXQF-VAZQATRQSA-N,853.330955312,3.7357000000000036,CC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,PACLITAXEL,0.89369,1.0076,0.950645,
-89425968,COc1ccc(C(C)=O)c(O)c1,UILPJVPSNHJFIK-UHFFFAOYSA-N,166.06299418,1.6034,COc1ccc(C(C)=O)c(O)c1,PAEONOL,1.0257,1.0925,1.0591,
-25050313,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O,PMXMIIMHBWHSKN-LJQANCHMSA-N,426.206718944,3.081320000000002,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O,PALIPERIDONE,1.0028,1.183,1.0929,
-94762631,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-],RLQYRXCUPVKSAW-UHFFFAOYSA-M,387.123735864,0.3887999999999998,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-],PALMATINE CHLORIDE,1.0316,1.0598,1.0457,
-66717220,CCCCCCCCCCCCCCCC(=O)NCCO,HXYVTAGFYLMHSO-UHFFFAOYSA-N,299.282429424,4.576200000000004,CCCCCCCCCCCCCCCC(=O)NCCO,PALMIDROL [5mM],0.9489,1.0413,0.9951,
-52873876,Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O,SKTFQHRVFFOHTQ-UHFFFAOYSA-N,257.975237564,-0.2772000000000001,Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O,PAMABROM,1.0915,1.0658,1.07865,
-59782325,CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[Na+],MKVDFFROCUECAJ-CKDSBIORSA-M,303.093010816,-7.711299999999996,CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[Na+],PANGAMIC ACID SODIUM,1.1662,1.1775,1.17185,
-14514652,CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,DJWYOLJPSHDSAL-UHFFFAOYSA-N,554.244406304,-1.628399999999993,CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,PANTETHINE,0.92781,1.0438,0.985805,
-67263986,COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,IQPSEEYGBUAQFF-UHFFFAOYSA-N,383.0751334,2.8843000000000005,COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,PANTOPRAZOLE,1.0935,1.1231,1.1083,
-24169846,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].[Na+],GQTHJBOWLPZUOI-FJXQXJEOSA-M,241.092616892,-5.373999999999996,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].[Na+],PANTOTHENIC ACID(d) Na salt,0.95018,0.90747,0.928825,
-18029783,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl,UOTMYNBWXDUBNX-UHFFFAOYSA-N,375.12373586399997,4.281800000000005,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl,PAPAVERINE HYDROCHLORIDE,1.1418,0.97546,1.05863,
-82698521,Oc1ccc(Cl)cc1,WXNZTHHGJRFXKQ-UHFFFAOYSA-N,128.00289246,2.0456,Oc1ccc(Cl)cc1,PARACHLOROPHENOL,0.93066,0.98444,0.95755,
-31252634,CCC1(C)OC(=O)N(C)C1=O,VQASKUSHBVDKGU-UHFFFAOYSA-N,157.073893212,0.7637,CCC1(C)OC(=O)N(C)C1=O,PARAMETHADIONE,1.1156,0.87467,0.995135,
-98223353,C#CCN(C)Cc1ccccc1.Cl,BCXCABRDBBWWGY-UHFFFAOYSA-N,195.081477128,2.1734000000000004,C#CCN(C)Cc1ccccc1.Cl,PARGYLINE HYDROCHLORIDE,1.1509,1.2043,1.1776,
-11602276,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O,LJRDOKAZOAKLDU-KYOKIHSVSA-N,713.263680664,-9.514500000000016,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O,PAROMOMYCIN SULFATE,0.13947,0.16566,0.152565,
-48940990,Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,GELRVIPPMNMYGS-RVXRQPKJSA-N,365.11939943199997,3.748300000000002,Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,PAROXETINE HYDROCHLORIDE,1.3524,1.0892,1.2208,
-11451260,CCC(=O)c1ccc(O)cc1,RARSHUDCJQSEFJ-UHFFFAOYSA-N,150.06807956,1.9848999999999997,CCC(=O)c1ccc(O)cc1,PAROXYPROPIONE,0.80799,1.122,0.964995,
-39960480,C=C1C(=O)O[C@@H]2C3O[C@]3(C)CC/C=C(\C)CC[C@@H]12,KTEXNACQROZXEV-OCLBVPJSSA-N,248.1412445,2.7620000000000013,C=C1C(=O)O[C@@H]2C3O[C@]3(C)CC/C=C(\C)CC[C@@H]12,PARTHENOLIDE,0.78408,0.96283,0.873455,
-94957125,NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1,RKPHTRVPGYGVQD-UHFFFAOYSA-N,290.101504928,0.3576999999999991,NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1,PASINIAZID,0.98061,0.94458,0.962595,
-39011149,O=C1C=C2C(=CCOC2O)O1,ZRWPUFFVAOMMNM-UHFFFAOYSA-N,154.026608672,-0.2979000000000001,O=C1C=C2C(=CCOC2O)O1,PATULIN,0.10519,0.13899,0.12209,
-30187031,CS(=O)(=O)O.C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,UDHGFPATQWQARM-FJXQXJEOSA-N,414.089700168,1.2439999999999996,CS(=O)(=O)O.C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,PAZUFLOXACIN MESYLATE,0.13751,0.16536,0.151435,
-14681867,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,DUXQKCCELUKXOE-NCNDPSPSSA-N,622.1897703879999,-0.7866999999999995,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,PECTOLINARIN,1.0803,1.0475,1.0639,
-10408082,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O,HQQSBEDKMRHYME-UHFFFAOYSA-N,429.13698470799994,1.1145000000000003,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O,PEFLOXACIN MESYLATE,0.12296,0.15963,0.141295,
-90946848,CCCCCCCCC(=O)O,FBUKVWPVBMHYJY-UHFFFAOYSA-N,158.130679816,2.821600000000001,CCCCCCCCC(=O)O,PELARGONIC ACID,1.1938,0.89842,1.04611,
-43613386,CC(=O)CC1CCCCN1.Cl,FMOKUKPRJSMPOI-UHFFFAOYSA-N,177.092041812,1.5293999999999999,CC(=O)CC1CCCCN1.Cl,PELLETIERINE HYDROCHLORIDE,1.0303,0.94734,0.98882,
-88103056,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1.[Na+].[Na+],NYDXNILOWQXUOF-GXKRWWSZSA-L,471.11307188800004,-7.99500000000001,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1.[Na+].[Na+],PEMETREXED,1.0893,0.94007,1.014685,
-79496080,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+],NMMVKSMGBDRONO-UHFFFAOYSA-N,266.031840524,-3.1838799999999994,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+],PEMIROLAST POTASSIUM,1.1717,1.4101,1.2909,
-23079123,CN1C(C)(C)CCCC1(C)C.O=C(O)C(O)C(O)C(=O)O,AAFNEINEQRQMTF-UHFFFAOYSA-N,305.183837584,0.5367000000000004,CN1C(C)(C)CCCC1(C)C.O=C(O)C(O)C(O)C(=O)O,PEMPIDINE TARTRATE,1.0327,1.0066,1.01965,
-19542998,CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,KTXVDQNRHZQBOR-RSAXXLAASA-N,389.1872087119999,2.8192000000000004,CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,PENBUTOLOL SULFATE,0.96635,0.96701,0.96668,
-23558735,OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,MDLAAYDRRZXJIF-UHFFFAOYSA-N,523.170133264,7.532700000000006,OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,PENFLURIDOL,1.0142,1.1632,1.0887,
-57388965,CC(C)(S)[C@H](N)C(=O)O.NCCO,VFQYWICBKXXPNQ-AENDTGMFSA-N,210.103813436,-0.9558999999999993,CC(C)(S)[C@H](N)C(=O)O.NCCO,PENICILLAMINE ETHANOLAMINE SALT,1.2156,1.4369,1.32625,
-64734071,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+],IYNDLOXRXUOGIU-LQDWTQKMSA-M,372.05460970400003,-3.4698999999999973,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+],PENICILLIN G POTASSIUM,0.38722,0.50725,0.447235,
-98158215,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+],HCTVWSOKIJULET-LQDWTQKMSA-M,388.04952432399995,-3.633599999999997,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+],PENICILLIN V POTASSIUM,0.31729,0.17065,0.24397,
-13946057,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,IZUPBVBPLAPZRR-UHFFFAOYSA-N,263.847003052,4.6592,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,PENTACHLOROPHENOL,0.81702,0.76027,0.788645,
-11325069,CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,NEYNJQRKHLUJRU-DZUOILHNSA-N,767.331247148,1.5202000000000044,CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,PENTAGASTRIN,0.98438,1.027,1.00569,
-10109685,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,YBVNFKZSMZGRAD-UHFFFAOYSA-N,592.1872853519999,0.615840000000003,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,PENTAMIDINE ISETHIONATE,1.0448,0.89457,0.969685,
-35887016,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,QPCDCPDFJACHGM-UHFFFAOYSA-N,393.13834393599996,-2.6845999999999934,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,PENTETIC ACID,0.86439,0.89231,0.87835,
-64648847,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O,HSMKTIKKPMTUQH-UHFFFAOYSA-L,538.2737747839998,-4.277099999999989,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O,PENTOLINIUM TARTRATE,1.3096,1.0391,1.17435,
-46691242,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,BYPFEZZEUUWMEJ-UHFFFAOYSA-N,278.13789043599996,0.19300000000000006,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,PENTOXIFYLLINE,1.1058,1.1685,1.13715,
-56255774,C1CCc2nnnn2CC1,CWRVKFFCRWGWCS-UHFFFAOYSA-N,138.09054632,0.39949999999999997,C1CCc2nnnn2CC1,PENTYLENETETRAZOL,0.97072,0.92391,0.947315,
-96608754,CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O,UWCVGPLTGZWHGS-AZQQDQCQSA-N,410.1697848199999,3.775100000000002,CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O,PERGOLIDE MESYLATE,1.3744,1.2139,1.29415,
-14785360,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=C\C(=O)O,JDZOTSLZMQDFLG-UHFFFAOYSA-N,393.28790872799993,5.007200000000004,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=C\C(=O)O,PERHEXILINE MALEATE,0.23786,0.25448,0.24617,
-10561287,C=C(C)[C@H]1CC=C(C(=O)O)CC1,CDSMSBUVCWHORP-QMMMGPOBSA-N,166.099379688,2.3736000000000006,C=C(C)[C@H]1CC=C(C(=O)O)CC1,PERILLIC ACID (-),1.1277,0.91618,1.02194,
-40759886,C=C(C)C1CC=C(CO)CC1,NDTYTMIUWGWIMO-UHFFFAOYSA-N,152.120115132,2.2813,C=C(C)C1CC=C(CO)CC1,PERILLYL ALCOHOL,1.056,1.1103,1.08315,
-45928322,CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC,IYNMDWMQHSMDDE-MHXJNQAMSA-N,441.32027147599996,2.6842000000000015,CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC,PERINDOPRIL ERBUMINE,1.0067,0.96234,0.98452,
-11526898,CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O,ODAIHABQVKJNIY-PEDHHIEDSA-N,340.19982199599997,1.4621,CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O,PERINDOPRILAT,1.2071,0.92165,1.064375,
-11457081,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,RLLPVAHGXHCWKJ-UHFFFAOYSA-N,390.07894985999997,6.113300000000004,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,PERMETHRIN,0.80744,0.98177,0.894605,
-89120587,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,RGCVKNLCSQQDEP-UHFFFAOYSA-N,403.14851113199995,3.942700000000003,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,PERPHENAZINE,0.72547,0.88248,0.803975,
-41511376,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,OXQKEKGBFMQTML-IECVIRLLSA-N,212.089602852,-4.224499999999998,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO,PERSEITOL,1.1037,0.86666,0.98518,
-89102111,CO[C@H]1[C@H](O)[C@@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@@H]3C2)O[C@@H](C)[C@@H]1O,PMTSPAGBAFCORP-WUHAFPOOSA-N,548.2985329879999,2.2891999999999997,CO[C@@H]1[C@@H](O)[C@H](C)O[C@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@@H]3C2)[C@H]1O,PERUVOSIDE,1.0888,1.3172,1.203,
-42402139,CC(C)=CCc1c(O)cc2oc(C)cc(=O)c2c1O,DTNGBIGBPPPNNB-UHFFFAOYSA-N,260.104858992,3.0213200000000016,CC(C)=CCc1c(O)cc2oc(C)cc(=O)c2c1O,PEUCENIN,0.78899,0.87476,0.831875,
-64653388,NC(=O)NC(=O)Cc1ccccc1,XPFRXWCVYUEORT-UHFFFAOYSA-N,178.07422756,0.42399999999999954,NC(=O)NC(=O)Cc1ccccc1,PHENACEMIDE,0.98459,1.0301,1.007345,
-37203290,CCOc1ccc(NC(C)=O)cc1,CPJSUEIXXCENMM-UHFFFAOYSA-N,179.094628656,2.0437,CCOc1ccc(NC(C)=O)cc1,PHENACETIN,1.0147,1.1041,1.0594,
-50961630,Cl.NCC(=O)c1ccccc1,CVXGFPPAIUELDV-UHFFFAOYSA-N,171.04509162,1.2498,Cl.NCC(=O)c1ccccc1,PHENACYLAMINE HYDROCHLORIDE,0.9519,1.1227,1.0373,
-39845412,Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1,QQBPIHBUCMDKFG-UHFFFAOYSA-N,249.07812306399998,3.0832000000000015,Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1,PHENAZOPYRIDINE HYDROCHLORIDE,0.9491,0.96648,0.95779,
-54934725,NNCCc1ccccc1.O=S(=O)(O)O,RXBKMJIPNDOHFR-UHFFFAOYSA-N,234.067427928,0.0395999999999993,NNCCc1ccccc1.O=S(=O)(O)O,PHENELZINE SULFATE,0.14751,0.29912,0.223315,
-81519526,Cl.NCCc1ccccc1,SKHIBNDAFWIOPB-UHFFFAOYSA-N,157.065827064,1.6096000000000001,Cl.NCCc1ccccc1,PHENETHYLAMINE HYDROCHLORIDE,1.1642,0.99255,1.078375,
-10089276,Cl.NC(N)=N/C(N)=N/CCc1ccccc1,YSUCWSWKRIOILX-UHFFFAOYSA-N,241.10942319199998,0.23900000000000055,Cl.NC(N)=N/C(N)=N/CCc1ccccc1,PHENFORMIN HYDROCHLORIDE,0.88023,0.85547,0.86785,
-55197526,Cl.N=C(N)NC(=N)NCCc1ccccc1,YSUCWSWKRIOILX-UHFFFAOYSA-N,241.10942319199998,0.6583399999999993,Cl.N=C(N)NC(=N)NCCc1ccccc1,PHENFORMIN HYDROCHLORIDE,0.99748,0.87116,0.93432,
-10280207,O=C1c2ccccc2C(=O)C1c1ccccc1,NFBAXHOPROOJAW-UHFFFAOYSA-N,222.06807956,2.849400000000001,O=C1c2ccccc2C(=O)C1c1ccccc1,PHENINDIONE,1.1992,1.0215,1.11035,
-53029295,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)/C=C\C(=O)O,SSOXZAQUVINQSA-UHFFFAOYSA-N,356.17360724799994,2.877,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)/C=C\C(=O)O,PHENIRAMINE MALEATE,0.98041,0.97975,0.98008,
-85478953,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,DDBREPKUVSBGFI-UHFFFAOYSA-N,232.084792244,0.7004,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,PHENOBARBITAL,1.1672,0.99656,1.08188,
-50084175,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,KJFMBFZCATUALV-UHFFFAOYSA-N,318.089208928,3.560100000000002,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,PHENOLPHTHALEIN,1.2107,1.0032,1.10695,
-35111676,O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,BELBBZDIHDAJOR-UHFFFAOYSA-N,354.056194548,3.108600000000001,O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,PHENOLSULFONPHTHALEIN,1.0134,1.0021,1.00775,
-18642798,c1ccc2c(c1)Nc1ccccc1S2,WJFKNYWRSNBZNX-UHFFFAOYSA-N,199.045570288,3.894800000000001,c1ccc2c(c1)Nc1ccccc1S2,PHENOTHIAZINE,0.93836,0.95339,0.945875,
-16581508,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,SBNFWQZLDJGRLK-UHFFFAOYSA-N,350.18819469199997,5.760500000000005,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,PHENOTHRIN,0.98854,1.0184,1.00347,
-74211684,CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl,VBCPVIWPDJVHAN-UHFFFAOYSA-N,339.115669716,4.616700000000005,CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl,PHENOXYBENZAMINE HYDROCHLORIDE,0.95049,0.90361,0.92705,
-68641301,CN1C(=O)CC(c2ccccc2)C1=O,WLWFNJKHKGIJNW-UHFFFAOYSA-N,189.078978592,1.1588999999999998,CN1C(=O)CC(c2ccccc2)C1=O,PHENSUCCIMIDE,0.90129,0.90057,0.90093,
-10323511,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl,TUEJFGFQYKDAPM-UHFFFAOYSA-N,317.12948994,3.2622200000000023,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl,PHENTOLAMINE HYDROCHLORIDE,0.9419,0.9947,0.9683,
-12379323,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,DNVVZWSVACQWJE-UHFFFAOYSA-N,229.073893212,2.1936,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,PHENYL AMINOSALICYLATE,0.93905,1.1315,1.035275,
-88296982,Cl.N[C@@H](Cc1ccccc1)C(=O)O,ZAIZDXVMSSDZFA-QRPNPIFTSA-N,201.055656304,1.0628,Cl.N[C@@H](Cc1ccccc1)C(=O)O,PHENYLALANINE (L) HYDROCHLORIDE,0.91159,0.86494,0.888265,
-70725982,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,VYMDGNCVAMGZFE-UHFFFAOYSA-N,308.15247787999994,3.7878000000000025,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,PHENYLBUTAZONE,1.0667,0.97741,1.022055,
-11563268,OCCc1ccccc1,WRMNZCZEMHIOCP-UHFFFAOYSA-N,122.07316494,1.2214,OCCc1ccccc1,PHENYLETHYL ALCOHOL,0.90223,0.90005,0.90114,
-57193273,CC(=O)O[Hg]c1ccccc1,XEBWQGVWTUSTLN-UHFFFAOYSA-M,338.023072496,0.8725,CC(=O)O[Hg]c1ccccc1,PHENYLMERCURIC ACETATE,0.17521,0.17288,0.174045,
-61793791,O=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)N1.[Na+],FJPYVLNWWICYDW-UHFFFAOYSA-M,274.07182187200004,-0.4423000000000005,O=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)N1.[Na+],PHENYTOIN SODIUM,0.99468,1.0481,1.02139,
-68151575,CC(=O)c1c(O)cc(O)cc1O,XLEYFDVVXLMULC-UHFFFAOYSA-N,168.042258736,1.006,CC(=O)c1c(O)cc(O)cc1O,PHLORACETOPHENONE,0.92318,0.9135,0.91834,
-11063944,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,VGEREEWJJVICBM-UHFFFAOYSA-N,274.084123548,2.324500000000001,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,PHLORETIN,1.2864,1.0358,1.1611,
-42882570,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,IOUVKUPGCMBWBT-QNDFHXLGSA-N,436.13694696799985,-0.2024000000000002,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,PHLORIDZIN,1.1102,0.90144,1.00582,
-55108940,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,SNWQKAWITMVCQW-UHFFFAOYSA-N,362.0572571679999,1.4619000000000002,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,PHTHALYLSULFACETAMIDE,0.79935,1.1387,0.969025,
-90672563,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,PBMSWVPMRUJMPE-UHFFFAOYSA-N,403.02966251600003,2.894400000000001,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,PHTHALYLSULFATHIAZOLE,1.028,0.93661,0.982305,
-80763952,COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,FFWOKTFYGVYKIR-UHFFFAOYSA-N,284.068473484,2.1902200000000005,COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,PHYSCION,1.1533,1.0717,1.1125,
-11273721,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,PIJVFDBKTWXHHD-HIFRSBDPSA-N,275.163376912,1.7739,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,PHYSOSTIGMINE,1.1617,0.96371,1.062705,
-58147535,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O,HZOTZTANVBDFOF-PBCQUBLHSA-N,413.19507096399997,2.8643000000000014,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O,PHYSOSTIGMINE SALICYLATE,0.86915,0.91025,0.8897,
-74611186,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=S(=O)(O)O,LLIODTIILSCNOH-PBCQUBLHSA-N,373.130756456,1.1211000000000004,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=S(=O)(O)O,PHYSOSTIGMINE SULFATE,1.2061,1.1271,1.1666,
-85797639,C/C(=C\CO)CC[C@H](C)CCC[C@H](C)CCCC(C)C,VNYGDSNUPVEJKI-QZTJIDSGSA-N,282.292265836,5.974000000000006,C/C(=C\CO)CC[C@H](C)CCC[C@H](C)CCCC(C)C,PHYTOL,1.0876,0.88839,0.987995,
-86254417,CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,MBWXNTAXLNYFJB-DNQXCXABSA-N,450.3497807119999,9.1576,CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,PHYTONADIONE [5mM],1.1931,1.2309,1.212,
-41472861,OC[C@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,HSTZMXCBWJGKHG-OBKDMQGPSA-N,390.13146766399996,0.44689999999999946,OC[C@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,PICEID,1.1331,1.2445,1.1888,
-24843303,NCc1cccnc1,HDOUGSFASVGDCS-UHFFFAOYSA-N,108.06874825599999,0.5403,NCc1cccnc1,PICOLAMINE,0.90667,0.91136,0.909015,
-77213960,OCc1ccccn1,SHNUBALDGXWUJI-UHFFFAOYSA-N,109.052763844,0.5739,OCc1ccccn1,PICONOL,0.94979,1.051,1.000395,
-74562528,COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,YJGVMLPVUAXIQN-HAEOHBJNSA-N,414.1314676639999,2.4092000000000002,COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,PICROPODOPHYLLIN,1.1217,1.1461,1.1339,
-79948233,CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,RYEFFICCPKWYML-QCGISDTRSA-N,310.105252916,-0.8672,CC(C)(O)[C@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C,PICROTIN,1.1015,1.0454,1.07345,
-91375988,C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,PIMZUZSSNYHVCU-YKWPQBAZSA-N,292.094688232,-0.062000000000000444,C=C(C)[C@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C,PICROTOXININ,1.06,1.275,1.1675,
-81914194,O=C1CC[C@@H](C(=O)O)N1,ODHCTXKNWHHXJC-VKHMYHEASA-N,129.042593084,-0.6504000000000001,O=C1CC[C@@H](C(=O)O)N1,PIDOLIC ACID,1.068,0.91898,0.99349,
-64430007,O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1,UUTKICFRNVKFRG-WDSKDSINSA-N,244.051777864,-0.7488999999999997,O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1,PIDOTIMOD,0.90391,0.9697,0.936805,
-13032267,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])O,PRZXEPJJHQYOGF-GNAZCLTHSA-N,271.11682064400003,0.8141000000000003,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])O,PILOCARPINE NITRATE,0.93379,1.0317,0.982745,
-10402815,Cl.N=C(N)NN,UBDZFAGVPPMTIT-UHFFFAOYSA-N,110.03592390399999,-1.2350300000000005,Cl.N=C(N)NN,PIMAGEDINE HYDROCHLORIDE,1.0194,0.97128,0.99534,
-53325143,CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)/C=C\C(=O)O,IPANUAHQWFDVAG-UHFFFAOYSA-N,409.1347792159999,4.390500000000003,CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)/C=C\C(=O)O,PIMETHIXENE MALEATE,0.91474,0.66394,0.78934,
-69107708,COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1,GLBJJMFZWDBELO-UHFFFAOYSA-N,334.142975816,3.098600000000001,COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1,PIMOBENDAN,1.126,0.97377,1.049885,
-10428746,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,YVUQSNJEYSNKRX-UHFFFAOYSA-N,461.227868988,5.8570000000000055,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,PIMOZIDE,0.28035,0.31712,0.298735,
-14264433,COc1c(OC)c2occc2c2oc(=O)ccc12,BQPRWZCEKZLBHL-UHFFFAOYSA-N,246.05282342,2.556400000000001,COc1c(OC)c2occc2c2oc(=O)ccc12,PIMPINELLIN,1.2127,1.2301,1.2214,
-58935546,CC(N/C(=N/C#N)Nc1ccncc1)C(C)(C)C,IVVNZDGDKPTYHK-UHFFFAOYSA-N,245.16404560799998,2.3547800000000008,CC(N/C(=N/C#N)Nc1ccncc1)C(C)(C)C,PINACIDIL,1.0006,1.0991,1.04985,
-60546287,CC(C)NCC(O)COc1cccc2[nH]ccc12,JZQKKSLKJUAGIC-UHFFFAOYSA-N,248.15247788,1.9055999999999995,CC(C)NCC(O)COc1cccc2[nH]ccc12,PINDOLOL,1.0573,1.0536,1.05545,
-14667397,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl,GHUUBYQTCDQWRA-UHFFFAOYSA-N,392.096141212,3.5814000000000026,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl,PIOGLITAZONE HYDROCHLORIDE,0.88928,1.0459,0.96759,
-11006341,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,AXKPFOAXAHJUAG-UHFFFAOYSA-N,375.23220541999996,2.5944000000000003,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,PIPAMPERONE,1.0598,0.88875,0.974275,
-89463693,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,JOHZPMXAZQZXHR-UHFFFAOYSA-N,303.133139404,-0.08079999999999998,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,PIPEMIDIC ACID,1.041,0.86486,0.95293,
-26852722,CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],XEDCWWFPZMHXCM-UHFFFAOYSA-M,433.125255856,0.09860000000000158,CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],PIPENZOLATE BROMIDE,0.95947,0.93042,0.944945,
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-40333136,C[C@]12C=CC(=O)C=C1CCC1C2[C@@H](O)C[C@@]2(C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,APGDTXUMTIZLCJ-PILPDLGISA-N,460.20971798399984,1.9732999999999998,C[C@]12C[C@H](O)C3C(CCC4=CC(=O)C=C[C@@]43C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,PREDNISOLONE HEMISUCCINATE,0.67637,0.42646,0.551415,
-80019137,C[C@]12C=CC(=O)C=C1CCC1C2[C@@H](O)C[C@@]2(C)C1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],VJZLQIPZNBPASX-HLSWQIQTSA-L,484.1238930139999,-5.581399999999994,C[C@]12C[C@H](O)C3C(CCC4=CC(=O)C=C[C@@]43C)C1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],PREDNISOLONE SODIUM PHOSPHATE,0.98231,1.006,0.994155,
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-74186843,CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C,ORNBQBCIOKFOEO-WPVPORHCSA-N,316.240230264,4.515300000000004,CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C,PREGNENOLONE,1.0179,0.96812,0.99301,
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-34754646,CC(C)=CCOc1cc2oc(=O)ccc2cc1O,AWEFUQDNSBBNCR-UHFFFAOYSA-N,246.089208928,2.8436000000000017,CC(C)=CCOc1cc2oc(=O)ccc2cc1O,PRENYLETIN,0.86548,1.0438,0.95464,
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-27859814,CNNCc1ccc(C(=O)NC(C)C)cc1,CPTBDICYNRMXFX-UHFFFAOYSA-N,221.152812228,1.0487999999999995,CNNCc1ccc(C(=O)NC(C)C)cc1,PROCARBAZINE HYDROCHLORIDE,1.0852,1.162,1.1236,
-82780550,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O,SWOUGRBFXFILIB-UHFFFAOYSA-N,563.0985263599999,3.342200000000001,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O,PROCHLORPERAZINE EDISYLATE,0.66868,0.68376,0.67622,
-65693119,O=C(O)CCc1nc2ccccc2[nH]1,XYWJNTOURDMTPI-UHFFFAOYSA-N,190.07422756,1.5800999999999998,O=C(O)CCc1nc2ccccc2[nH]1,PROCODAZOLE,1.2013,1.2724,1.23685,
-55122521,Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,ZFSPFXJSEHCTTR-UHFFFAOYSA-N,323.20159226,4.362200000000004,Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,PROCYCLIDINE HYDROCHLORIDE,0.95919,0.92821,0.9437,
-79040337,Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,WSFHCKWLECYVBS-UHFFFAOYSA-N,307.06267689599997,1.8996000000000002,Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,PROFLAVINE HEMISULFATE,0.62844,0.61807,0.623255,
-17378510,CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,RJKFOVLPORLFTN-OYEBDCLDSA-N,314.2245802,4.723500000000005,CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,PROGESTERONE,1.0034,1.1516,1.0775,
-74879260,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,DGMKFQYCZXERLX-UHFFFAOYSA-N,334.189257312,2.2984,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,PROGLUMIDE,1.1792,1.1817,1.18045,
-86712352,CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl,JIVSXRLRGOICGA-UHFFFAOYSA-N,320.111397352,4.662800000000004,CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl,PROMAZINE HYDROCHLORIDE,0.91118,1.0098,0.96049,
-42247465,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,XXPDBLUZJRXNNZ-UHFFFAOYSA-N,320.111397352,4.6612000000000045,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,PROMETHAZINE HYDROCHLORIDE,0.93275,1.0582,0.995475,
-29716617,CC(C)NCC(O)c1ccc2ccccc2c1.Cl,QONLGXRPRAIDGI-UHFFFAOYSA-N,265.12334194,3.2930000000000024,CC(C)NCC(O)c1ccc2ccccc2c1.Cl,PRONETALOL HYDROCHLORIDE,0.96661,1.04,1.003305,
-87803843,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl,XWIHRGFIPXWGEF-UHFFFAOYSA-N,377.175771436,3.663200000000003,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl,PROPAFENONE HYDROCHLORIDE,0.67108,1.0978,0.88444,
-88870148,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-],XLBIBBZXLMYSFF-UHFFFAOYSA-M,447.14090592,1.7348,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-],PROPANTHELINE BROMIDE,0.8591,1.0765,0.9678,
-58646702,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl,BFUUJUGQJUTPAF-UHFFFAOYSA-N,330.17102040400005,2.978000000000001,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl,PROPARACAINE HYDROCHLORIDE,1.1489,1.0507,1.0998,
-48141613,C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,ZYHMJXZULPZUED-UHFFFAOYSA-N,350.155180312,3.9192000000000027,C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,PROPARGITE,1.2988,1.2299,1.26435,
-11198291,O=C1CCO1,VEZXCJBBBCKRPI-UHFFFAOYSA-N,72.021129368,-0.06669999999999998,O=C1CCO1,PROPIOLACTONE,1.0236,1.2019,1.11275,
-29828597,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH-UHFFFAOYSA-N,178.135765196,3.6390000000000025,CC(C)c1cccc(C(C)C)c1O,PROPOFOL,1.1556,1.1141,1.13485,
-11531022,CNC(=O)Oc1ccccc1OC(C)C,ISRUGXGCCGIOQO-UHFFFAOYSA-N,209.10519334,2.192,CNC(=O)Oc1ccccc1OC(C)C,PROPOXUR,1.1301,1.0232,1.07665,
-94152633,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl,GITPCGSPKUQZTE-UHFFFAOYSA-N,330.17102040400005,2.978000000000002,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl,PROPOXYCAINE HYDROCHLORIDE,0.9288,1.2304,1.0796,
-56908856,CC(C)NCC(O)COc1cccc2ccccc12.Cl,ZMRUPTIKESYGQW-UHFFFAOYSA-N,295.13390662399996,2.999300000000001,CC(C)NCC(O)COc1cccc2ccccc12.Cl,PROPRANOLOL HYDROCHLORIDE (+/-),0.63714,0.703,0.67007,
-35970609,CCCc1cc(=O)[nH]c(=S)[nH]1,KNAHARQHSZJURB-UHFFFAOYSA-N,170.05138394,1.38499,CCCc1cc(=O)[nH]c(=S)[nH]1,PROPYLTHIOURACIL,0.80506,1.1825,0.99378,
-35491417,C[C@@H]1O[C@@H](O[C@@H]2C=C3CCC4C(CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)C(O)C(O)[C@H]1O,MYEJFUXQJGHEQK-BACGYGAMSA-N,530.2879683039998,3.013800000000002,C[C@@H]1O[C@@H](O[C@@H]2C=C3CCC4C(CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)C(O)C(O)[C@H]1O,PROSCILLARIDIN A,0.96327,0.96666,0.964965,
-19778086,CCCc1cc(C(N)=S)ccn1,VRDIULHPQTYCLN-UHFFFAOYSA-N,180.072119384,1.6683000000000001,CCCc1cc(C(N)=S)ccn1,PROTIONAMIDE,0.9706,0.93361,0.952105,
-62280381,NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1,XNSAINXGIQZQOO-UHFFFAOYSA-N,362.170253184,-1.808099999999996,NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1,PROTIRELIN,1.0961,1.1934,1.14475,
-71617182,C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C,KSFOVUSSGSKXFI-UHFFFAOYSA-N,562.2580055679999,7.504040000000007,C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C,PROTOPORPHYRIN IX,0.98998,1.1115,1.05074,
-78342222,CNCCCC1c2ccccc2C=Cc2ccccc21.Cl,OGQDIIKRQRZXJH-UHFFFAOYSA-N,299.144077384,4.7237000000000045,CNCCCC1c2ccccc2C=Cc2ccccc21.Cl,PROTRYPTYLINE HYDROCHLORIDE,1.0491,1.088,1.06855,
-97926329,CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,KYHQZNGJUGFTGR-UHFFFAOYSA-N,238.106590308,-1.1855,CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,PROXYPHYLLINE,0.99601,0.91898,0.957495,
-94790366,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,PWNMXPDKBYZCOO-UHFFFAOYSA-N,461.10568458,2.639820000000001,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,PRULIFLOXACIN,0.13811,0.14952,0.143815,
-50900183,CN[C@@H](C)[C@@H](O)c1ccccc1.Cl,BALXUFOVQVENIU-KXNXZCPBSA-N,201.092041812,1.7496999999999998,CN[C@@H](C)[C@@H](O)c1ccccc1.Cl,PSEUDOEPHEDRINE HYDROCHLORIDE,1.31,1.3202,1.3151,
-52783068,CC1=CCc2c(cc3oc(C)cc(=O)c3c2O)OC1,IUIHYYSAVUBPQO-UHFFFAOYSA-N,258.089208928,2.688220000000001,CC1=CCc2c(cc3oc(C)cc(=O)c3c2O)OC1,PTAEROXYLIN,0.95656,0.98675,0.971655,
-93691195,COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1,VLEUZFDZJKSGMX-UHFFFAOYSA-N,256.10994437200003,3.5798000000000023,COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1,PTEROSTILBENE,0.53966,0.52674,0.5332,
-11218878,O=c1c(-c2ccc(O)cc2)coc2c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,HKEAFJYKMMKDOR-YWFAZRBLSA-N,416.11073221999993,0.3860999999999998,O=c1c(-c2ccc(O)cc2)coc2c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,PUERARIN,1.0407,1.0394,1.04005,
-96605540,COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)OC(n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1.Cl.Cl,MKSVFGKWZLUTTO-GTVUAWMESA-N,543.1763724520001,0.04990000000000083,COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)OC(n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1.Cl.Cl,PUROMYCIN DIHYDROCHLORIDE,0.40697,0.41614,0.411555,
-51577743,O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21,BBNQQADTFFCFGB-UHFFFAOYSA-N,256.03717335600004,1.5788000000000004,O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21,PURPURIN,1.0596,1.065,1.0623,
-40282268,O=c1c(O)cccc2cc(O)c(O)c(O)c12,WDGFFVCWBZVLCE-UHFFFAOYSA-N,220.037173356,1.0223999999999998,O=c1c(O)cccc2cc(O)c(O)c(O)c12,PURPUROGALLIN,1.0125,1.0041,1.0083,
-26132440,Cl.Cl.NCCCCN,XXWCODXIQWIHQN-UHFFFAOYSA-N,160.05340380799998,0.5276,Cl.Cl.NCCCCN,PUTRESCINE DIHYDROCHLORIDE,1.1617,0.90184,1.03177,
-11120885,CN1CCCN=C1/C=C/c1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,AQXXZDYPVDOQEE-UHFFFAOYSA-N,594.18245768,6.8867000000000065,CN1CCCN=C1/C=C/c1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,PYRANTEL PAMOATE,0.78992,0.98681,0.888365,
-73722151,NC(=O)c1cnccn1,IPEHBUMCGVEMRF-UHFFFAOYSA-N,123.04326178,-0.4245000000000001,NC(=O)c1cnccn1,PYRAZINAMIDE,0.98301,1.2047,1.093855,
-13883558,C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O,ROVGZAWFACYCSP-NEWSRXKRSA-N,328.20384475599997,4.558200000000004,C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O,PYRETHRINS,1.2906,1.2792,1.2849,
-10743510,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],VNYBTNPBYXSMOO-UHFFFAOYSA-M,260.016039756,-2.4244999999999974,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],PYRIDOSTIGMINE BROMIDE,1.0587,1.1126,1.08565,
-28835356,Cc1ncc(CO)c(CO)c1O.Cl,ZUFQODAHGAHPFQ-UHFFFAOYSA-N,205.050570924,0.5020199999999997,Cc1ncc(CO)c(CO)c1O.Cl,PYRIDOXINE HYDROCHLORIDE,0.97325,0.74138,0.857315,
-71412146,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\C(=O)O,JXYWFNAQESKDNC-UHFFFAOYSA-N,401.1950709639999,2.3702000000000005,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\C(=O)O,PYRILAMINE MALEATE,0.8887,0.96467,0.926685,
-28517032,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,WKSAUQYGYAYLPV-UHFFFAOYSA-N,248.08287409599998,2.5238000000000005,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,PYRIMETHAMINE,0.23852,0.22286,0.23069,
-58195732,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,NHDHVHZZCFYRSB-UHFFFAOYSA-N,321.136493468,4.720200000000004,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,PYRIPROXYFEN,1.0418,1.4036,1.2227,
-55714748,[O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-],OTPSWLRZXRHDNX-UHFFFAOYSA-L,315.931861696,1.7502999999999997,[O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-],PYRITHIONE ZINC,0.13817,0.16284,0.150505,
-41502940,CCC1(CC)C(=O)C=CNC1=O,NZASCBIBXNPDMH-UHFFFAOYSA-N,167.094628656,1.0053999999999998,CCC1(CC)C(=O)C=CNC1=O,PYRITHYLDIONE,0.79371,0.93902,0.866365,
-49512241,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,SIXLXDIJGIWWFU-UHFFFAOYSA-N,368.08644911999994,2.5708400000000013,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,PYRITINOL,1.0388,1.1844,1.1116,
-21560333,O=C(O)c1cccc(O)c1O,GLDQAMYCGOIJDV-UHFFFAOYSA-N,154.026608672,0.7959999999999998,O=C(O)c1cccc(O)c1O,PYROCATECHUIC ACID,1.0321,0.87315,0.952625,
-11322984,COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O,YKUQEKXHQFYULM-UHFFFAOYSA-N,909.1320337680005,2.3714000000000097,COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O,PYRONARIDINE TETRAPHOSPHATE,1.1516,1.1478,1.1497,
-16248567,Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,ZFWFZMYQXOKWIY-UHFFFAOYSA-M,769.315186096,8.364940000000004,Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,PYRVINIUM PAMOATE,2.548,2.3715,2.45975,
-79789088,COC1=CC(C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)C([C@@]34C)[C@@]2(C)C1=O,IOSXSVZRTUWBHC-CLNPFYHDSA-N,388.18858861599995,2.819000000000001,COC1=CC(C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)C([C@@]2(C)C1=O)[C@@]34C,QUASSIN,1.0216,0.96618,0.99389,
-43795191,COC1C(O)C(O)C(O)[C@@H](O)C1O,DSCFFEYYQKSRSV-CIXXMWBBSA-N,194.079038168,-3.1805,COC1C(O)C(O)C(O)[C@@H](O)C1O,QUEBRACHITOL,1.0925,0.92724,1.00987,
-54924928,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,REFJWTPEDVJJIY-UHFFFAOYSA-N,302.04265266,1.988,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,QUERCETIN,1.06,0.98416,1.02208,
-32753893,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,AAASNKNLMQBKFV-UHFFFAOYSA-N,358.105252916,3.200000000000001,COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1,"QUERCETIN 5,7,3',4'-TETRAMETHYL ETHER",0.85247,0.99041,0.92144,
-86871343,CC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,OXGUCUVFOIWWQJ-IWSUUXMFSA-N,448.1005614599999,0.4886999999999995,CC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,QUERCITRIN,0.89156,0.89107,0.891315,
-84032448,O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,VRHJBWUIWQOFLF-UHFFFAOYSA-N,499.177706648,2.567800000000002,O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,QUETIAPINE FUMARATE,1.0784,1.0267,1.05255,
-72634172,CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl,UDKVBVICMUEIKS-UHFFFAOYSA-N,471.161095684,6.816000000000006,CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl,QUINACRINE HYDROCHLORIDE,0.92656,1.1311,1.02883,
-91904327,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,JSDRRTOADPPCHY-HSQYWUDLSA-N,438.21547205999997,2.5671,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,QUINAPRIL,1.296,1.0176,1.1568,
-11335400,C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,FLSLEGPOVLMJMN-YSSFQJQWSA-N,410.18417193199997,2.0885999999999996,C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,QUINAPRILAT,1.1131,1.2583,1.1857,
-74611044,C#C[C@]1(O)CCC2C3CCc4cc(OC5CCCC5)ccc4C3CC[C@@]21C,PWZUUYSISTUNDW-BOSQQAFTSA-N,364.240230264,5.228400000000006,C#C[C@]1(O)CCC2C3CCc4cc(OC5CCCC5)ccc4C3CC[C@@]21C,QUINESTROL,0.98631,1.1446,1.065455,
-11349361,CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,AGMMTXLNIQSRCG-UHFFFAOYSA-N,289.028789924,0.8788000000000005,CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,QUINETHAZONE,0.94021,1.1192,1.029705,
-90816150,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,XHKUDCCTVQUHJQ-LCYSNFERSA-N,520.2420807319999,-0.31989999999999963,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,QUINIDINE GLUCONATE,0.86426,1.0229,0.94358,
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-53033129,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)C(O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,NZCRJKRKKOLAOJ-CJRPOXCJSA-N,785.3523594520001,6.157840000000009,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)C(O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,RIFAXIMIN,0.13476,0.1442,0.13948,
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-51515523,O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+],DRFDPXKCEWYIAW-UHFFFAOYSA-M,304.9830192,-4.002399999999999,O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+],RISEDRONATE SODIUM,0.99168,0.85053,0.921105,
-47787980,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,RAPZEAPATHNIPO-UHFFFAOYSA-N,410.211804324,3.5904200000000026,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,RISPERIDONE,1.1525,0.85106,1.00178,
-10503779,Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,JUQLTPCYUFPYKE-UHFFFAOYSA-N,477.16863986,5.483020000000005,Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,RITANSERIN,1.0366,0.92797,0.982285,
-58567021,CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl,IDLSITKDRVDKRV-UHFFFAOYSA-N,323.128821244,2.773800000000001,CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl,RITODRINE HYDROCHLORIDE,0.93848,1.0974,1.01794,
-11200387,CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,NCDNCNXCDXHOMX-XGKFQTDJSA-N,720.3127606359999,5.905200000000005,CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,RITONAVIR,0.94158,0.94088,0.94123,
-66840665,CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O,GWHQHAUAXRMMOT-MBANBULQSA-N,400.1845658559999,0.6371000000000009,CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O,RIVASTIGMINE TARTRATE,0.98713,1.196,1.091565,
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-69552280,COc1ccc(-c2c(O)c3c(OC)c4c(cc3oc2=O)OC(C)(C)C=C4)cc1,MBZKDBQDALOSRP-UHFFFAOYSA-N,380.12598835999995,4.3670000000000035,COc1ccc(-c2c(O)c3c(OC)c4c(cc3oc2=O)OC(C)(C)C=C4)cc1,ROBUSTIC ACID,0.90601,1.0234,0.964705,
-26129664,CCCCCCCCCCCC[C@H](C(=O)O)[C@@H](C)C(=O)O,CADNMISJDLVPCK-CABCVRRESA-N,300.230059504,4.718900000000003,CCCCCCCCCCCC[C@H](C(=O)O)[C@@H](C)C(=O)O,ROCCELLIC ACID,1.1964,0.99871,1.097555,
-75961002,C=CC[N+]1([C@H]2CC3C4CCC5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)C4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-],OYTJKRAYGYRUJK-FKEZLKRZSA-M,608.3188702759999,1.4115000000000038,C=CC[N+]1([C@H]2CC3C4CCC5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)C4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-],ROCURONIUM BROMIDE,1.1998,1.2609,1.23035,
-65394540,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,MNDBXUUTURYVHR-UHFFFAOYSA-N,402.03495410799997,5.030900000000003,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,ROFLUMILAST,1.2791,1.093,1.18605,
-93722697,COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1,HJORMJIFDVBMOB-UHFFFAOYSA-N,275.152143532,2.6201000000000008,COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1,ROLIPRAM,1.0049,1.02,1.01245,
-98945210,Cn1c([N+](=O)[O-])cnc1COC(N)=O,PQFRTXSWDXZRRS-UHFFFAOYSA-N,200.054554736,-0.07640000000000013,Cn1c([N+](=O)[O-])cnc1COC(N)=O,RONIDAZOLE,0.16489,0.18589,0.17539,
-55244835,COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,JHJOOSLFWRRSGU-UHFFFAOYSA-N,319.899734786,4.542900000000002,COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,RONNEL,0.15175,0.15845,0.1551,
-71316659,CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl,XDXHAEQXIBQUEZ-UHFFFAOYSA-N,296.16554110000004,3.2675000000000023,CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl,ROPINIROLE HYDROCHLORIDE,1.1276,0.95377,1.040685,
-81740774,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,SUFUKZSWUHZXAV-UHFFFAOYSA-N,473.12567107599995,2.2027,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,ROSIGLITAZONE MALEATE,1.3368,1.2657,1.30125,
-10587796,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2],XDIJJHVJIZNZGO-GBNZRNLASA-M,520.1225022040899,0.6861999999999999,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2],ROSUVASTATIN CALCIUM,1.1415,1.0156,1.07855,
-51391969,C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1,JUVIOZPCNVVQFO-HBGVWJBISA-N,394.1416384239999,3.7033000000000023,C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1,ROTENONE,0.94566,0.99042,0.96804,
-50259147,O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,XMVJITFPVVRMHC-UHFFFAOYSA-N,262.941108412,-1.1386000000000003,O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,ROXARSONE,0.87665,1.1365,1.006575,
-11368022,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl,FEWCTJHCXOHWNL-UHFFFAOYSA-N,384.181585088,2.542500000000001,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl,ROXATIDINE ACETATE HYDROCHLORIDE,0.9375,1.0207,0.9791,
-78387013,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,RXZBMPWDPOLZGW-HITVVWEBSA-N,836.524569732,2.2096000000000076,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,ROXITHROMYCIN,0.14842,0.24787,0.198145,
-91768838,NC(=O)c1cn(Cc2c(F)cccc2F)nn1,POGQSBRIGCQNEG-UHFFFAOYSA-N,238.066617316,0.7035000000000001,NC(=O)c1cn(Cc2c(F)cccc2F)nn1,RUFINAMIDE,0.82779,0.97134,0.899565,
-43925741,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1,NJCJBUHJQLFDSW-UHFFFAOYSA-N,363.105290656,1.6963,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1,RUFLOXACIN HYDROCHLORIDE,0.13092,0.1471,0.13901,
-94574873,CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC,RWCVSDKDFSVZNF-KRYGIPSASA-N,428.11073221999993,1.4135999999999997,CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC,RUTILANTINONE,1.0975,1.1136,1.10555,
-73921382,C[C@@H]1O[C@@H](OC[C@H]2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,IKGXIBQEEMLURG-KUKMIBIMSA-N,610.15338488,-1.6871000000000003,C[C@@H]1O[C@@H](OC[C@H]2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,RUTIN,0.96052,1.0598,1.01016,
-68517380,COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,QELDJEKNFOQJOY-ZDUSSCGKSA-N,341.16270821600006,3.1701000000000015,COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,S-ISOCORYDINE (+),1.0042,0.97632,0.99026,
-95838380,O=C1NS(=O)(=O)c2ccccc21,CVHZOJJKTDOEJC-UHFFFAOYSA-N,182.99901402,0.11869999999999997,O=C1NS(=O)(=O)c2ccccc21,SACCHARIN,1.0355,1.0662,1.05085,
-17474700,C=CCc1ccc2c(c1)OCO2,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,162.06807956,2.1437999999999997,C=CCc1ccc2c(c1)OCO2,SAFROLE,0.98157,0.89705,0.93931,
-22763820,OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,NGFMICBWJRZIBI-UJPOAAIJSA-N,286.105252916,-1.6424000000000003,OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,SALICIN,1.0273,0.94846,0.98788,
-80435243,OCc1ccccc1O,CQRYARSYNCAZFO-UHFFFAOYSA-N,124.052429496,0.8844999999999998,OCc1ccccc1O,SALICYL ALCOHOL,0.93998,1.2322,1.08609,
-23950967,NC(=O)c1ccccc1O,SKZKKFZAGNVIMN-UHFFFAOYSA-N,137.047678464,0.49110000000000004,NC(=O)c1ccccc1O,SALICYLAMIDE,0.83087,1.2529,1.041885,
-36222229,O=C(Nc1ccccc1)c1ccccc1O,WKEDVNSFRWHDNR-UHFFFAOYSA-N,213.078978592,2.644500000000001,O=C(Nc1ccccc1)c1ccccc1O,SALICYLANILIDE,0.14698,0.17843,0.162705,
-40781030,O=C(O)c1ccccc1O,YGSDEFSMJLZEOE-UHFFFAOYSA-N,138.031694052,1.0903999999999998,O=C(O)c1ccccc1O,SALICYLIC ACID,1.1682,1.3197,1.24395,
-93908974,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,ILRCGYURZSFMEG-RKQHYHRCSA-N,300.12090298,-1.2488000000000008,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,SALIDROSIDE,0.83182,0.83871,0.835265,
-77770699,CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1OC2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+],YPZYGIQXBGHDBH-WKWCOTLASA-M,772.4737573080001,1.8573000000000066,CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1OC2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+],"SALINOMYCIN, SODIUM",0.86577,1.0667,0.966235,
-12690040,O=C(Oc1ccccc1C(=O)O)c1ccccc1O,WVYADZUPLLSGPU-UHFFFAOYSA-N,258.05282342000004,2.309600000000001,O=C(Oc1ccccc1C(=O)O)c1ccccc1O,SALSALATE,1.2866,1.2646,1.2756,
-92841977,COc1cc2c(cc1OC)C(C)NCC2,HMYJLVDKPJHJCF-UHFFFAOYSA-N,207.125928784,1.9104999999999999,COc1cc2c(cc1OC)C(C)NCC2,SALSOLIDINE,0.84999,0.93856,0.894275,
-47525665,COc1cc2c(cc1O)CCNC2C,YTPRLBGPGZHUPD-UHFFFAOYSA-N,193.11027872,1.6075,COc1cc2c(cc1O)CCNC2C,SALSOLINE,1.176,1.3358,1.2559,
-28427643,COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,OBSYBRPAKCASQB-AGQYDFLVSA-N,432.17841785599995,3.0001000000000007,COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,SALVINORIN A,0.91057,0.92062,0.915595,
-67742109,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-],GIZKAXHWLRYMLE-UHFFFAOYSA-M,367.0611356079999,0.4320999999999995,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-],SANGUINARIUM CHLORIDE,0.88742,0.76882,0.82812,
-17321242,CC1=C2[C@H]3OC(=O)C(C)[C@@H]3CC[C@@]2(C)C=CC1=O,XJHDMGJURBVLLE-UABIXTSPSA-N,246.125594436,2.419600000000001,CC1=C2[C@H]3OC(=O)C(C)[C@@H]3CC[C@@]2(C)C=CC1=O,SANTONIN,0.94364,0.87655,0.910095,
-44789793,COc1ccc2c(c1)OC/C(=C\c1ccc(OC)c(O)c1)C2=O,VCNDHJFYRZQMHX-UHFFFAOYSA-N,312.099773612,3.068100000000001,COc1ccc2c(c1)OC/C(=C\c1ccc(OC)c(O)c1)C2=O,SAPPANONE A DIMETHYL ETHER,0.92711,0.98642,0.956765,
-70553699,Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,KNWODGJQLCISLC-UHFFFAOYSA-N,421.100475556,2.7985000000000007,Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,SARAFLOXACIN HYDROCHLORIDE,0.1309,0.14281,0.136855,
-54597697,C[C@H]1CC[C@@]2(OC1)OC1CC3C4CC[C@@H]5C[C@@H](O)CCC5(C)C4CCC3(C)C1[C@@H]2C,GMBQZIIUCVWOCD-MGBIJUMASA-N,416.32904526799996,5.793800000000006,C[C@H]1CC[C@@]2(OC1)OC1CC3C4CC[C@@H]5C[C@@H](O)CCC5(C)C4CCC3(C)C1[C@@H]2C,SARSASAPOGENIN,1.1081,1.1485,1.1283,
-71813551,N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)[C@]12CC3CC(C[C@@](O)(C3)C1)C2,QGJUIPDUBHWZPV-WQWLQCECSA-N,315.19467704,1.157979999999999,N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)[C@]12CC3CC(C[C@@](O)(C3)C1)C2,SAXAGLIPTIN,1.2677,1.0621,1.1649,
-66091932,C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]1(C)O,XVULBTBTFGYVRC-DLRXZHIHSA-N,308.271530392,4.697200000000005,C=C[C@](C)(O)CC[C@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]21C,SCLAREOL,1.1791,1.2379,1.2085,
-13851870,CC1(C)CCC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12,IMKJGXCIJJXALX-SHUKQUCYSA-N,250.193280072,3.934600000000003,CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OC(=O)C[C@H]21,SCLAREOLIDE,1.0659,1.1998,1.13285,
-12312263,Br.CN1C2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1OC21,WTGQALLALWYDJH-YAHCQVIGSA-N,383.07322028399994,1.496,Br.CN1C2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1OC21,SCOPOLAMINE HYDROBROMIDE,1.1317,1.0154,1.07355,
-23494331,Cc1ncc([N+](=O)[O-])n1CC(C)O,KPQZUUQMTUIKBP-UHFFFAOYSA-N,185.080041212,0.4805199999999999,Cc1ncc([N+](=O)[O-])n1CC(C)O,SECNIDAZOLE,1.0045,0.99376,0.99913,
-36743325,O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31,SWZMSZQQJRKFBP-WZRBSPASSA-N,217.11027872,1.405,O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31,SECURININE,1.0891,0.98863,1.038865,
-70029565,CCCCC(=O)C1CCCC=C1C(=O)O,PHVSWPDOXIQPTN-UHFFFAOYSA-N,210.125594436,2.556800000000001,CCCCC(=O)C1CCCC=C1C(=O)O,SEDANOIC ACID,0.87802,0.88346,0.88074,
-11159366,CO[C@H]1CC(O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]43O)O[C@@H](C)C1O,AFJYYKSVHJGXSN-OCPFIAPBSA-N,769.4401118359999,6.069800000000008,CO[C@H]1CC(O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)O[C@@H](C)C1O,SELAMECTIN,1.0195,0.99774,1.00862,
-30633525,C#CCN(C)C(C)Cc1ccccc1.Cl,IYETZZCWLLUHIJ-UHFFFAOYSA-N,223.112777256,2.6044000000000014,C#CCN(C)C(C)Cc1ccccc1.Cl,SELEGILINE HYDROCHLORIDE,0.86347,0.88274,0.873105,
-99416239,C[Se]CC[C@H](N)C(=O)O,RJFAYQIBOAGBLC-BYPYZUCNSA-N,196.995499892,-0.040999999999999925,C[Se]CC[C@H](N)C(=O)O,SELENOMETHIONINE,0.90571,0.95644,0.931075,
-80201107,CC1CCC(NC(=O)N(CCCl)N=O)CC1,FVLVBPDQNARYJU-UHFFFAOYSA-N,247.108754496,2.496900000000001,CC1CCC(NC(=O)N(CCCl)N=O)CC1,SEMUSTINE,1.0202,1.0556,1.0379,
-13902968,O=C(O)c1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,IPQVTOJGNYVQEO-DBHPJPNJSA-N,862.1956436160001,-1.0956000000000004,O=C(O)c1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,SENNOSIDE A,0.93715,0.90604,0.921595,
-60963567,CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O,ZBVKEHDGYSLCCC-UHFFFAOYSA-N,354.18310931199994,4.610000000000003,CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O,SERATRODAST,1.1875,1.1324,1.15995,
-51055148,N[C@@H](CO)C(=O)O,MTCFGRXMJLQNBG-REOHCLBHSA-N,105.042593084,-1.6093999999999997,N[C@@H](CO)C(=O)O,SERINE (L),1.001,1.1062,1.0536,
-81265237,Cl.NCCc1c[nH]c2ccc(O)cc12,MDIGAZPGKJFIAH-UHFFFAOYSA-N,212.071640716,1.7965,Cl.NCCc1c[nH]c2ccc(O)cc12,SEROTONIN HYDROCHLORIDE,1.0588,0.98715,1.022975,
-51411692,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl,BLFQGGGGFNSJKA-XHXSRVRCSA-N,341.05048261599995,5.601400000000004,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl,SERTRALINE HYDROCHLORIDE,0.13701,0.14592,0.141465,
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-88326072,O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,LRBQNJMCXXYXIU-NRMVVENXSA-N,1700.172974183999,4.838100000000016,O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,TANNIC ACID,1.0279,1.1245,1.0762,
-49388145,Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,HYXITZLLTYIPOF-UHFFFAOYSA-N,294.125594436,4.247920000000003,Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,TANSHINONE IIA,1.1257,1.052,1.08885,
-72266245,CC[C@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl,ZELFLGGRLLOERW-XCBLFTOQSA-N,257.154642068,3.505300000000003,CC[C@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl,TAPENTADOL HYDROCHLORIDE,1.0038,1.3281,1.16595,
-84004080,NCCS(=O)(=O)O,XOAAWQZATWQOTB-UHFFFAOYSA-N,125.014664084,-1.1670999999999996,NCCS(=O)(=O)O,TAURINE,1.0216,1.0107,1.01615,
-13612821,C[C@]1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O,LPQZKKCYTLCDGQ-KTOWXAHTSA-N,300.05284048399994,-1.523199999999998,C[C@]1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O,TAZOBACTAM,0.13109,0.15674,0.143915,
-76817461,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,PXMNMQRDXWABCY-UHFFFAOYSA-N,307.14514000400004,3.3415000000000017,CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1,TEBUCONAZOLE,0.97926,0.97997,0.979615,
-52639893,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C\C(=O)O,CPDDZSSEAVLMRY-UHFFFAOYSA-N,417.2012189639999,2.52637,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C\C(=O)O,TEGASEROD MALEATE,0.73845,0.80639,0.77242,
-31980755,CCCCC/C=C/CCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]4NC(=O)C(Cc5ccc(c(Cl)c5)O3)NC(=O)[C@H](N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc3[C@@H](C(=O)O)NC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,YMWQIYMUNZBOOV-VOMJTBHHSA-N,1875.5409318599984,0.9396000000000104,CCCCC/C=C/CCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]4NC(=O)C(Cc5ccc(c(Cl)c5)O3)NC(=O)[C@H](N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc3[C@@H](C(=O)O)NC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O,TEICOPLANIN [A(2-1) shown],0.93045,0.73667,0.83356,
-10967893,Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O.Cl,XZVKOMOTDZLLDN-UHFFFAOYSA-N,406.123024656,2.9561200000000007,Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O.Cl,TELENZEPINE HYDROCHLORIDE,0.36223,0.41005,0.38614,
-40409505,CCC1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C,LJVAJPDWBABPEJ-FXVGUYRBSA-N,811.4731432799999,4.929200000000005,CCC1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C,TELITHROMYCIN,0.13991,0.15111,0.14551,
-26136560,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,RMMXLENWKUUMAY-UHFFFAOYSA-N,514.2368762,7.2644200000000065,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,TELMISARTAN,1.0356,1.0249,1.03025,
-17112874,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,SEQDDYPDSLOBDC-UHFFFAOYSA-N,300.066555336,2.4722,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,TEMAZEPAM,1.2477,1.4391,1.3434,
-23866632,COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,WWJZWCUNLNYYAU-UHFFFAOYSA-N,465.98972461999995,5.630000000000004,COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,TEMEFOS,1.1568,1.2478,1.2023,
-87863502,Cn1nnc2c(C(N)=O)ncn2c1=O,BPEGJWRSRHCHSN-UHFFFAOYSA-N,194.055223432,-2.078099999999999,Cn1nnc2c(C(N)=O)ncn2c1=O,TEMOZOLOMIDE,0.9023,0.97234,0.93732,
-73422530,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1,ZBFDAUIVDSSISP-UHFFFAOYSA-N,346.10996143600005,2.29474,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1,TENATOPRAZOLE,1.155,1.3461,1.25055,
-62995719,COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)OC5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O,NRUKOCRGYNPUPR-OQMCATNJSA-N,656.156362084,2.752900000000001,COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)OC5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O,TENIPOSIDE,0.48912,0.63343,0.561275,
-18303103,C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,SGOIRFVFHAKUTI-ZCFIWIBFSA-N,287.078340558,-0.051200000000000134,C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,TENOFOVIR,0.82843,1.0095,0.918965,
-16041311,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,LZNWYQJJBLGYLT-UHFFFAOYSA-N,337.019097832,1.6425,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,TENOXICAM,0.87096,1.0257,0.94833,
-51479362,O=C1/C(=C/c2cccs2)CCC/C1=C\c1cccs1,KHXBULXCCPIELT-UHFFFAOYSA-N,286.04860706799997,5.029600000000003,O=C1/C(=C/c2cccs2)CCC/C1=C\c1cccs1,TENYLIDONE,1.0318,0.97101,1.001405,
-65314068,COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1,XYKWNRUXCOIMFZ-UHFFFAOYSA-N,385.11931918,3.9815000000000023,COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1,TEPOXALIN,1.1135,0.98497,1.049235,
-50339609,CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,HUCXKZBETONXFO-UHFFFAOYSA-N,330.292265836,7.501300000000008,CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,TEPRENONE,1.3467,1.2398,1.29325,
-43274569,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl,IWSWDOUXSCRCKW-UHFFFAOYSA-N,423.167331992,1.4785999999999997,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl,TERAZOSIN HYDROCHLORIDE,1.0423,1.0791,1.0607,
-66145185,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl,BWMISRWJRUSYEX-UHFFFAOYSA-N,327.17537751199995,5.2991000000000055,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl,TERBINAFINE HYDROCHLORIDE,1.1046,1.1347,1.11965,
-20117379,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,MUPQZWGSBCWCAV-UHFFFAOYSA-N,323.10387301199995,0.8665,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,TERBUTALINE HEMISULFATE,1.2315,1.1036,1.16755,
-90576682,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,BLSQLHNBWJLIBQ-OZXSUGGESA-N,531.180395212,4.462700000000003,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,TERCONAZOLE,1.1968,0.89427,1.045535,
-73725653,CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,GUGOEEXESWIERI-UHFFFAOYSA-N,471.31372955200004,6.445800000000008,CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,TERFENADINE,0.63214,0.90759,0.769865,
-11244302,CC1(O)CCC(C(C)(C)O)CC1.O,JGKJMBOJWVAMIJ-UHFFFAOYSA-N,190.156894564,0.8737999999999999,CC1(O)CCC(C(C)(C)O)CC1.O,TERPENE HYDRATE,1.2537,1.4852,1.36945,
-25861921,C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2O,MUMGGOZAMZWBJJ-PPORCNLBSA-N,288.208930136,3.879200000000003,C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2O,TESTOSTERONE,1.0479,1.0865,1.0672,
-64755430,CCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,PDMMFKSKQVNJMI-PPRDLICTSA-N,344.23514488399996,4.840100000000005,CCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,TESTOSTERONE PROPIONATE,1.171,1.22,1.1955,
-10793718,COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2,MKJIEFSOBYUXJB-HOCLYGCPSA-N,317.199093724,3.238100000000002,COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2,TETRABENAZINE ,0.86196,1.1814,1.02168,
-23358883,CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl,PPWHTZKZQNXVAE-UHFFFAOYSA-N,300.16045572,3.0388000000000024,CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl,TETRACAINE HYDROCHLORIDE,0.84843,0.76502,0.806725,
-45959224,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl,XMEVHPAGJVLHIG-FMZCEJRJSA-N,480.12994344,0.20740000000000103,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl,TETRACYCLINE HYDROCHLORIDE,0.17072,0.17179,0.171255,
-18781602,CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@@]21C,MULICLCRGFYQJF-AAPIYNEUSA-N,406.235538808,2.4322999999999997,CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@@]21C,TETRAHYDROCORTISONE-21-ACETATE,0.93031,1.0907,1.010505,
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-33778997,O=C1C(O)=C(O)C(=O)C(O)=C1O,DGQOCLATAPFASR-UHFFFAOYSA-N,172.00078784800002,-0.20659999999999995,O=C1C(O)=C(O)C(=O)C(O)=C1O,TETROQUINONE,1.1516,1.1703,1.16095,
-11408238,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,UEJJHQNACJXSKW-UHFFFAOYSA-N,258.0640568,0.08779999999999993,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,THALIDOMIDE,0.98833,1.1647,1.076515,
-25722954,O=c1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@@H]3O)cc(O)c(O)c12,IPMYMEWFZKHGAX-WCQFOESSSA-N,564.1267762079999,2.2134,O=c1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@@H]3O)cc(O)c(O)c12,THEAFLAVIN,0.90359,0.83581,0.8697,
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-64981596,CCNC(=O)CC[C@H](N)C(=O)[O-].[K+],DGLVJRIZJHOXLW-JEDNCBNOSA-M,212.056323956,-5.016099999999998,CCNC(=O)CC[C@H](N)C(=O)[O-].[K+],THEANINE POTASSIUM,1.0399,0.96491,1.002405,
-99244534,Cn1cnc2c1c(=O)[nH]c(=O)n2C,YAPQBXQYLJRXSA-UHFFFAOYSA-N,180.064725496,-1.0397,Cn1cnc2c1c(=O)[nH]c(=O)n2C,THEOBROMINE,0.94585,0.87072,0.908285,
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-88577829,O=C(O)CCCCC1CCSS1,AGBQKNBQESQNJD-UHFFFAOYSA-N,206.043521688,2.7851000000000017,O=C(O)CCCCC1CCSS1,THIOCTIC ACID,0.88781,1.0001,0.943955,
-87539212,OCCSCCO,YODZTKMDCQEPHD-UHFFFAOYSA-N,122.04015056,-0.2958,OCCSCCO,THIODIGLYCOL,0.82506,0.91021,0.867635,
-15021852,Nc1nc2nc[nH]c2c(=S)[nH]1,WYWHKKSPHMUBEB-UHFFFAOYSA-N,167.02656616,0.59769,Nc1nc2nc[nH]c2c(=S)[nH]1,THIOGUANINE,1.0346,0.94753,0.991065,
-19526066,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+],AWLILQARPMWUHA-UHFFFAOYSA-M,264.090843064,-1.617699999999997,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+],THIOPENTAL SODIUM,1.1933,1.3802,1.28675,
-79391569,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,QGHREAKMXXNCOA-UHFFFAOYSA-N,342.045646928,1.7921999999999998,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,THIOPHANATE METHYL,0.95444,0.96992,0.96218,
-66403252,CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl,NZFNXWQNBYZDAQ-UHFFFAOYSA-N,406.130418544,6.307400000000006,CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl,THIORIDAZINE HYDROCHLORIDE,0.82606,0.97538,0.90072,
-47802422,C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)/C(=C\C)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O,NSFFHOGKXHRQEW-UHFFFAOYSA-N,1663.4923518799992,0.7739000000000107,C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)/C(=C\C)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O,THIOSTREPTON,0.95523,1.0235,0.989365,
-39808553,S=P(N1CC1)(N1CC1)N1CC1,FOCVUCIESVLUNU-UHFFFAOYSA-N,189.04895501399997,0.15770000000000017,S=P(N1CC1)(N1CC1)N1CC1,THIOTEPA,1.1671,1.5453,1.3562,
-52174387,CN(C)C(=S)SSC(=S)N(C)C,KUAZQDVKQLNFPE-UHFFFAOYSA-N,239.988332384,2.0608,CN(C)C(=S)SSC(=S)N(C)C,THIRAM,0.13583,0.14799,0.14191,
-10940773,COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl,HRYJPHOTGFERGT-UHFFFAOYSA-N,322.15603903600004,2.4752000000000014,COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl,THONZYLAMINE HYDROCHLORIDE,0.94616,0.91805,0.932105,
-11489026,CC(O)C(N)C(=O)O,AYFVYJQAPQTCCC-UHFFFAOYSA-N,119.058243148,-1.2208999999999997,CC(O)C(N)C(=O)O,THREONINE (dl),0.98151,0.90901,0.94526,
-10747977,CC1=CC(=O)C(C(C)C)=CC1=O,KEQHJBNSCLWCAE-UHFFFAOYSA-N,164.083729624,1.6669,CC1=CC(=O)C(C(C)C)=CC1=O,THYMOQUINONE,0.90629,0.89031,0.8983,
-51088015,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl,OTFDPNXIVHBTKW-UHFFFAOYSA-N,364.12235596,1.5920999999999996,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl,TIAPRIDE HYDROCHLORIDE,1.0055,1.0231,1.0143,
-54169419,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+],ZBBCUBMBMZNEME-QBGWIPKPSA-L,428.008866728,-8.11340000000001,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+],TICARCILLIN DISODIUM,1.1769,0.90925,1.043075,
-41280027,Cl.Clc1ccccc1CN1CCc2sccc2C1,MTKNGOHFNXIVOS-UHFFFAOYSA-N,299.03022584,4.381600000000003,Cl.Clc1ccccc1CN1CCc2sccc2C1,TICLOPIDINE HYDROCHLORIDE,1.1265,1.2497,1.1881,
-55557908,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,FPZLLRFZJZRHSY-HJYUBDRYSA-N,585.2798632079999,0.5132000000000028,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,TIGECYCLINE,0.95041,1.0417,0.996055,
-47296300,C[C@@H]1CC[C@@]2(OC1)O[C@H]1CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@]3(C)[C@H]1[C@@H]2C,GMBQZIIUCVWOCD-RIYZOVBVSA-N,416.32904526799996,5.793800000000006,C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2,TIGOGENIN,1.0852,1.1948,1.14,
-74252291,CCNC1(c2cccs2)CCCCC1=O.Cl,ZUYKJZQOPXDNOK-UHFFFAOYSA-N,259.079762876,3.117800000000002,CCNC1(c2cccs2)CCCCC1=O.Cl,TILETAMINE HYDROCHLORIDE,1.0869,1.1757,1.1313,
-45881639,CC[C@@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@H](C)C[C@H](C)C2)C[C@@H](C)C(=O)/C=C/C(C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,JTSDBFGMPLKDCD-ZMPSCPEASA-N,868.5660406200002,3.341400000000009,CC[C@@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=O)/C=C/C(C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,TILMICOSIN,0.60305,0.74588,0.674465,
-17324980,CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,MPMFCABZENCRHV-UHFFFAOYSA-N,410.256942948,4.339200000000004,CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,TILORONE,0.86924,1.2272,1.04822,
-52379629,CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O,WLRMANUAADYWEA-HNCPQSOCSA-N,432.1678702359999,0.21430000000000204,CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O,TIMOLOL MALEATE,1.2628,0.98931,1.126055,
-16788198,O=C(O)C1CSCN1,DZLNHFMRPBPULJ-UHFFFAOYSA-N,133.019749464,-0.2664999999999999,O=C(O)C1CSCN1,TIMONACIC,0.90018,0.92742,0.9138,
-87171484,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,QXHHHPZILQDDPS-UHFFFAOYSA-N,385.981417076,5.8629000000000016,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,TIOCONAZOLE,0.83985,0.85045,0.84515,
-56270100,Nc1nc(S)c2nc[nH]c2n1,WYWHKKSPHMUBEB-UHFFFAOYSA-N,167.02656616,0.2237999999999999,Nc1nc(S)c2nc[nH]c2n1,TIOGUANINE,0.87276,0.94803,0.910395,
-87589561,CC(S)C(=O)NCC(=O)O,YTGJWQPHMWSCST-UHFFFAOYSA-N,163.030314148,-0.49450000000000044,CC(S)C(=O)NCC(=O)O,TIOPRONIN,0.95537,1.0832,1.019285,
-11202580,O=c1oc2cc(O)ccc2s1,SLYPOVJCSQHITR-UHFFFAOYSA-N,167.988114988,1.5601,O=c1oc2cc(O)ccc2s1,TIOXOLONE,0.75677,1.0905,0.923635,
-11975300,O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,UOWZUVNAGUAEQC-UHFFFAOYSA-N,621.7635027680001,4.625400000000002,O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,TIRATRICOL,1.1432,0.95211,1.047655,
-89646680,Cl.Clc1ccc2nsnc2c1NC1=NCCN1,ZWUKMNZJRDGCTQ-UHFFFAOYSA-N,288.99557164800007,2.1376,Cl.Clc1ccc2nsnc2c1NC1=NCCN1,TIZANIDINE HYDROCHLORIDE,1.2068,1.382,1.2944,
-77359190,NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O,NLVFBUXFDBBNBW-PBSUHMDJSA-N,467.25912776399997,-6.295799999999999,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O,TOBRAMYCIN,0.14559,0.14965,0.14762,
-62617564,CCOC(=O)NNc1nncc2ccccc12.Cl,OMCOKCNIYWULQH-UHFFFAOYSA-N,268.072703336,2.1246000000000005,CCOC(=O)NNc1nncc2ccccc12.Cl,TODRALAZINE HYDROCHLORIDE,0.95957,0.89348,0.926525,
-66041055,Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,OUDSBRTVNLOZBN-UHFFFAOYSA-N,311.13036253200005,1.7739199999999995,Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,TOLAZAMIDE,0.83565,1.1185,0.977075,
-97590567,Cl.c1ccc(CC2=NCCN2)cc1,RHTNTTODYGNRSP-UHFFFAOYSA-N,196.076726096,1.6525999999999996,Cl.c1ccc(CC2=NCCN2)cc1,TOLAZOLINE HYDROCHLORIDE,1.2405,0.88574,1.06312,
-41419769,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,JLRGJRBPOGGCBT-UHFFFAOYSA-N,270.103813436,1.78302,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,TOLBUTAMIDE,1.0319,0.87109,0.951495,
-14259122,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,YEZNLOUZAIOMLT-UHFFFAOYSA-N,261.055656304,4.090220000000002,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,TOLFENAMIC ACID,0.88349,1.0004,0.941945,
-68795074,Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+],QGUALMNFRILWRA-UHFFFAOYSA-M,279.087137588,-2.139079999999997,Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+],TOLMETIN SODIUM,1.1055,0.99217,1.048835,
-96043059,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,FUSNMLFNXJSCDI-UHFFFAOYSA-N,307.10308516400005,4.948320000000003,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,TOLNAFTATE,1.2876,1.0236,1.1556,
-31985703,Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-],HNONEKILPDHFOL-UHFFFAOYSA-M,305.075346192,0.6912200000000003,Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-],TOLONIUM CHLORIDE,1.3419,1.7978,1.56985,
-85515401,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl,ZBUVYROEHQQAKL-UHFFFAOYSA-N,281.154642068,3.721520000000003,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl,TOLPERISONE HYDROCHLORIDE,0.94372,0.88333,0.913525,
-10855023,Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1,OCINXEZVIIVXFU-UHFFFAOYSA-N,425.06571158800006,2.937120000000001,Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1,TOLTRAZURIL,1.204,1.2605,1.23225,
-41374921,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1,GYHCTFXIZSNGJT-XMMPIXPASA-N,448.15537034,5.683140000000005,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1,TOLVAPTAN,1.0893,1.3264,1.20785,
-24246743,CC1CC[C@]2(NC1)O[C@H]1CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@]3(C)[C@H]1[C@@H]2C.Cl,SXXHVPYRDFJKPG-JCZRXURQSA-N,451.321707392,5.788600000000008,CC1CC[C@]2(NC1)O[C@H]1CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@]3(C)[C@H]1[C@@H]2C.Cl,TOMATIDINE HYDROCHLORIDE,0.99955,1.3006,1.150075,
-89654462,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,KJADKKWYZYXHBB-XBWDGYHZSA-N,339.098787632,-0.3953999999999982,CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,TOPIRAMATE,1.1306,1.0581,1.09435,
-63270332,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,DGHHQBMTXTWTJV-BQAIUKQQSA-N,457.140448548,2.2686000000000006,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,TOPOTECAN HYDROCHLORIDE,0.84834,1.0008,0.92457,
-66213636,CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,IWEQQRMGNVVKQW-UHFFFAOYSA-N,597.2129447919999,4.9665000000000035,CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,TOREMIFENE CITRATE,0.94989,1.1525,1.051195,
-10410255,Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,NGBFQHCMQULJNZ-UHFFFAOYSA-N,348.1256115,2.5299199999999997,Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,TORSEMIDE,1.1418,1.0298,1.0858,
-14848323,Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.O,SSULTCPIIYRGFQ-UHFFFAOYSA-N,594.1396048,2.4556200000000006,Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.O,TOSUFLOXACIN TOLUENESULFONATE HYDRATE,0.43199,0.52476,0.478375,
-15083615,CC(C)c1c(O)ccc2c1CCC1[C@@](C)(C=O)CCC[C@]21C,QMRLEXVAVRHWSE-IPNZSQQUSA-N,300.208930136,4.7248000000000046,CC(C)c1c(O)ccc2c1CCC1[C@@](C)(C=O)CCC[C@]21C,TOTARALOLAL,0.91061,0.93161,0.92111,
-52306420,CC(C)c1c(O)ccc2c1CCC1C(C)(C)CCC[C@]21C,ZRVDANDJSTYELM-UUSAFJCLSA-N,286.22966558,5.545800000000005,CC(C)c1c(O)ccc2c1CCC1C(C)(C)CCC[C@]21C,TOTAROL,0.9274,1.0939,1.01065,
-60970292,COC(=O)[C@@]1(C)CCC[C@]2(C)c3ccc(O)c(C(C)C)c3CCC12,VEJJMTHWRMKGKN-SJRAPUSDSA-N,330.21949481999997,4.6989000000000045,COC(=O)[C@@]1(C)CCC[C@]2(C)c3ccc(O)c(C(C)C)c3CCC12,"TOTAROL-19-CARBOXYLIC ACID, METHYL ESTER",0.83097,1.1191,0.975035,
-10898017,CC(C)c1c(O)ccc2c1CCC1C(C)(C)C(=O)CC[C@]21C,AOHUEFCBXPOOLQ-OTOKDRCRSA-N,300.208930136,4.7248000000000046,CC(C)c1c(O)ccc2c1CCC1C(C)(C)C(=O)CC[C@]21C,TOTAROLONE,1.0005,0.95459,0.977545,
-26171674,COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1.Cl,PPKXEPBICJTCRU-KUARMEPBSA-N,299.16520675199996,3.0564000000000022,COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1.Cl,TRAMADOL HYDROCHLORIDE,1.0104,1.0518,1.0311,
-84892078,NCCCS(=O)(=O)O,SNKZJIOFVMKAOJ-UHFFFAOYSA-N,139.030314148,-0.7769999999999997,NCCCS(=O)(=O)O,TRAMIPROSATE,0.94052,0.95969,0.950105,
-14913391,CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C2CCCCC2C[C@H]1C(=O)O,VXFJYXUZANRPDJ-UPUXWEDPSA-N,430.24677218799997,2.7733,CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C2CCCCC2C[C@H]1C(=O)O,TRANDOLAPRIL,0.8343,0.90771,0.871005,
-74747668,COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC,NZHGWWWHIYHZNX-UHFFFAOYSA-N,327.110672644,3.0539000000000014,COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC,TRANILAST,1.2311,0.93384,1.08247,
-57586398,CC(C)=CCC/C(C)=C/CC/C(C)=C/CO,CRDAMVZIKSXKFV-UHFFFAOYSA-N,222.198365452,4.397900000000004,CC(C)=CCC/C(C)=C/CC/C(C)=C/CO,"trans,trans-FARNESOL",0.6182,0.55515,0.586675,
-10870112,NC1C[C@H]1c1ccccc1.O=S(=O)(O)O,BTHVHSMCHJCPFU-GUORDYTPSA-N,231.056528896,0.8484,NC1C[C@H]1c1ccccc1.O=S(=O)(O)O,TRANYLCYPROMINE SULFATE,1.0281,0.90788,0.96799,
-50769200,Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,OHHDIOKRWWOXMT-UHFFFAOYSA-N,407.12796571600006,2.783500000000001,Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,TRAZODONE HYDROCHLORIDE,0.85008,0.81083,0.830455,
-90151219,O.O.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,DPVHGFAJLZWDOC-PVXXTIHASA-N,378.1373408919999,-7.046599999999991,O.O.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,TREHALOSE DIHYDRATE,0.97725,1.0117,0.994475,
-88420793,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,SHGAZHPCJJPHSC-UHFFFAOYSA-N,300.208930136,5.602600000000005,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,TRETINOIN,1.0381,1.0387,1.0384,
-44569668,CC(=O)OCC(COC(C)=O)OC(C)=O,URAYPUMNDPQOKB-UHFFFAOYSA-N,218.079038168,0.044299999999999784,CC(=O)OCC(COC(C)=O)OC(C)=O,TRIACETIN,1.0732,0.99431,1.033755,
-38428954,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,PDAYUJSOJIMKIS-UHFFFAOYSA-N,354.11033829599995,3.632900000000002,CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1,TRIACETYLRESVERATROL,0.93168,1.0684,1.00004,
-11077112,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1,WURBVZBTWMNKQT-UHFFFAOYSA-N,293.093104432,3.1243000000000016,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1,TRIADIMEFON,1.0255,1.0219,1.0237,
-39845172,C[C@]12C=CC(=O)C=C1CCC1C3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,GFNANZIMVAIWHM-MGVPRKGPSA-N,394.1791668039999,0.6204999999999998,C[C@]12C[C@H](O)[C@@]3(F)C(CCC4=CC(=O)C=C[C@@]43C)C1C[C@@H](O)[C@]2(O)C(=O)CO,TRIAMCINOLONE,0.95994,0.99003,0.974985,
-32411606,CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,YNDXUCZADRHECN-BPHAHLGOSA-N,434.2104669319999,2.4188000000000005,CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,TRIAMCINOLONE ACETONIDE,0.98299,0.96546,0.974225,
-59184757,CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,XGMPVBXKDAHORN-KUZKEXDLSA-N,478.200296172,1.7620999999999991,CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,TRIAMCINOLONE DIACETATE,1.0046,1.1681,1.08635,
-11097952,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,FNYLWPVRPXGIIP-UHFFFAOYSA-N,253.10759335199998,0.8334000000000001,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,TRIAMTERENE,1.1148,0.96788,1.04134,
-15308482,OCC(Br)(Br)Br,YFDSDPIBEUFTMI-UHFFFAOYSA-N,279.77340101600004,1.8172000000000001,OCC(Br)(Br)Br,TRIBROMOETHANOL,0.89642,0.92324,0.90983,
-53006257,CCOC(=O)c1cccc(N)c1.CS(=O)(=O)O,FQZJYWMRQDKBQN-UHFFFAOYSA-N,261.06709358,0.9495,CCOC(=O)c1cccc(N)c1.CS(=O)(=O)O,TRICAINE MESYLATE,1.3292,1.1907,1.25995,
-10917543,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,NFACJZMKEDPNKN-UHFFFAOYSA-N,255.92257840599999,2.1609000000000003,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,TRICHLORFON,1.0375,0.84165,0.939575,
-80382547,NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,LMJSLTNSBFUCMU-UHFFFAOYSA-N,378.902180776,0.8210000000000004,NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,TRICHLORMETHIAZIDE,1.3571,0.85324,1.10517,
-11542095,Cl.ClCCN(CCCl)CCCl,VEAUDLLZYJVHRI-UHFFFAOYSA-N,238.98021013599998,2.4266000000000005,Cl.ClCCN(CCCl)CCCl,TRICHLORMETHINE HYDROCHLORIDE,0.94689,1.0942,1.020545,
-88423857,ClC=C(Cl)Cl,XSTXAVWGXDQKEL-UHFFFAOYSA-N,129.914383072,2.5017000000000005,ClC=C(Cl)Cl,TRICHLOROETHYLENE,0.97367,0.97685,0.97526,
-25010663,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,NQPDXQQQCQDHHW-UHFFFAOYSA-N,357.9501169480001,6.037300000000002,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,TRICLABENDAZOLE,0.97057,0.81814,0.894355,
-71564820,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,XEFQLINVKFYRCS-UHFFFAOYSA-N,287.951162504,5.144700000000002,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,TRICLOSAN,0.14715,0.15953,0.15334,
-29759321,Cl.Cl.NCCNCCNCCN,WYHIICXRPHEJKI-UHFFFAOYSA-N,218.10650199999998,-1.0733999999999986,Cl.Cl.NCCNCCNCCN,TRIENTINE HYDROCHLORIDE,1.2681,0.9017,1.0849,
-60500565,O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1,XAIPTRIXGHTTNT-UHFFFAOYSA-N,358.03320451999997,4.200500000000002,O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1,TRIFLUMURON,0.82594,0.9779,0.90192,
-64998407,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl,BXDAOUXDMHXPDI-UHFFFAOYSA-N,479.117658852,5.7892000000000055,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl,TRIFLUOPERAZINE HYDROCHLORIDE,0.69664,0.62252,0.65958,
-90105920,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl,FTNWXGFYRHWUKG-UHFFFAOYSA-N,388.09878197999996,5.681600000000005,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl,TRIFLUPROMAZINE HYDROCHLORIDE,0.15409,0.1803,0.167195,
-55195644,O=c1[nH]c(=O)n(C2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,VSQQQLOSPVPRAZ-GFCOJPQKSA-N,296.062006112,-0.8039000000000001,O=c1[nH]c(=O)n(C2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,TRIFLURIDINE,0.92218,1.0466,0.98439,
-84360097,C[n+]1cccc(C(=O)[O-])c1,WWNNZCOKKKDOPX-UHFFFAOYSA-N,137.047678464,-1.1254000000000004,C[n+]1cccc(C(=O)[O-])c1,TRIGONELLINE,1.1005,1.0388,1.06965,
-11286569,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,QDWJJTJNXAKQKD-UHFFFAOYSA-N,337.217242324,4.752300000000004,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,TRIHEXYPHENIDYL HYDROCHLORIDE,1.2198,0.85609,1.037945,
-46337842,C[C@]12CCC3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)C1CC[C@@H]2O,KVJXBPDAXMEYOA-AVIBAHRQSA-N,329.199093724,3.466880000000002,C[C@]12CCC3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)C1CC[C@@H]2O,TRILOSTANE,0.98664,0.88085,0.933745,
-90883111,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)/C=C\C(=O)O,FSRLGULMGJGKGI-UHFFFAOYSA-N,503.215531636,3.448100000000001,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)/C=C\C(=O)O,TRIMEBUTINE MALEATE,1.001,1.0061,1.00355,
-75315281,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O,ZEEPCWVFSHMOPI-UHFFFAOYSA-N,448.1668076159998,2.3643999999999994,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O,TRIMEPRAZINE TARTRATE,0.99574,0.88395,0.939845,
-17475369,COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl,VYFLPFGUVGMBEP-UHFFFAOYSA-N,338.11639798799996,1.9612000000000007,COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl,TRIMETAZIDINE DIHYDROCHLORIDE,0.98015,1.341,1.160575,
-63334115,CN1C(=O)OC(C)(C)C1=O,IRYJRGCIQBGHIV-UHFFFAOYSA-N,143.058243148,0.37359999999999993,CN1C(=O)OC(C)(C)C1=O,TRIMETHADIONE,0.52857,0.57943,0.554,
-50248692,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl,WIIZEEPFHXAUND-UHFFFAOYSA-N,424.176499708,3.004600000000002,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl,TRIMETHOBENZAMIDE HYDROCHLORIDE,1.0556,0.89502,0.97531,
-84632098,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,IEDVJHCEMCRBQM-UHFFFAOYSA-N,290.13789043599996,1.2575999999999998,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,TRIMETHOPRIM,0.15902,0.15608,0.15755,
-11513824,COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,XWVOEFLBOSSYGM-UHFFFAOYSA-N,281.12632270800003,1.1848,COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,TRIMETOZINE,1.4929,1.0256,1.25925,
-63824604,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\C(=O)O,YDGHCKHAXOUQOS-UHFFFAOYSA-N,410.2205574399999,3.8328000000000024,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\C(=O)O,TRIMIPRAMINE MALEATE,1.0078,0.9232,0.9655,
-27774224,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,FMHHVULEAZTJMA-UHFFFAOYSA-N,228.078644244,3.4644600000000025,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,TRIOXSALEN,1.2504,1.1357,1.19305,
-12791325,CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O,GGRBYIUPUOYRLQ-UHFFFAOYSA-N,447.20055026799986,1.4013000000000007,CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O,TRIPELENNAMINE CITRATE,1.0305,1.2625,1.1465,
-91899664,Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.Cl,WYUYEJNGHIOFOC-UHFFFAOYSA-N,314.154976416,4.339320000000004,Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.Cl,TRIPROLIDINE HYDROCHLORIDE,1.1159,1.1072,1.11155,
-78179867,CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O,DFBIRQPKNDILPW-CIVMWXNOSA-N,360.15728848799995,1.1030999999999997,CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O,TRIPTOLIDE,1.0516,0.91303,0.982315,
-81852097,CC(C)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,KPXIBWGPZSPABK-FXAWDEMLSA-N,312.17254462799997,3.9829000000000034,CC(C)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3,TRIPTOPHENOLIDE,0.83388,0.83492,0.8344,
-10139174,O=c1[n-]c(=O)n(Cl)c(=O)n1Cl.[Na+],MSFGZHUJTJBYFA-UHFFFAOYSA-M,218.9214405,-4.6648,O=c1[n-]c(=O)n(Cl)c(=O)n1Cl.[Na+],TROCLOSENE SODIUM,1.1143,1.0238,1.06905,
-86557974,NC(CO)(CO)CO,LENZDBCJOHFCAS-UHFFFAOYSA-N,121.073893212,-2.3391999999999995,NC(CO)(CO)CO,TROMETHAMINE,0.86245,0.89905,0.88075,
-64140531,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,BGDKAVGWHJFAGW-UHFFFAOYSA-N,284.15247788,2.2062,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,TROPICAMIDE,1.2862,1.1568,1.2215,
-73876368,CN1[C@@H]2CC[C@@H]1CC(O)C2,CYHOMWAPJJPNMW-RNFRBKRXSA-N,141.1153641,0.6038999999999999,CN1[C@@H]2CC[C@@H]1CC(O)C2,TROPINE,0.89964,0.93277,0.916205,
-59119296,CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2.Cl,XIEGSJAEZIGKSA-UHFFFAOYSA-N,320.129155592,3.371700000000002,CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2.Cl,TROPISETRON HYDROCHLORIDE,0.95978,0.99888,0.97933,
-71335410,O=C(OC1CC2CCC(C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-],RVCSYOQWLPPAOA-UHFFFAOYSA-M,427.1914215,0.7737000000000009,O=C(OC1CC2CCC(C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-],TROSPIUM CHLORIDE,1.2217,1.0443,1.133,
-15849430,C[C@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,IYVFNTXFRYQLRP-KXWMMQPZSA-N,742.2320291240002,-2.6905999999999968,C[C@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,TROXERUTIN,0.96104,1.3462,1.15362,
-76457614,COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC,YSIITVVESCNIPR-UHFFFAOYSA-N,294.157957184,1.1941999999999997,COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC,TROXIPIDE,1.0676,0.96809,1.017845,
-10575966,NCCc1c[nH]c2ccccc12,APJYDQYYACXCRM-UHFFFAOYSA-N,160.100048384,1.6691,NCCc1c[nH]c2ccccc12,TRYPTAMINE,0.92235,0.90104,0.911695,
-75509615,N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,QIVBCDIJIAJPQS-SECBINFHSA-N,204.089877624,1.1223000000000003,N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,TRYPTOPHAN (L),1.1668,1.1393,1.15305,
-44388012,CCCCCC(C)N.O=S(=O)(O)O,ASNSHZBVZYSNTB-UHFFFAOYSA-N,213.103479088,1.2611000000000006,CCCCCC(C)N.O=S(=O)(O)O,TUAMINOHEPTANE SULFATE,1.0494,1.0054,1.0274,
-97946538,COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-],WMIZITXEJNQAQK-GGDSLZADSA-N,770.294815844,0.003300000000000858,COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-],TUBOCURARINE CHLORIDE PENTAHYDRATE,1.1661,1.1065,1.1363,
-63874293,CC(C)(C)NCC(O)c1ccccc1Cl.Cl,RSLNRVYIRDVHLY-UHFFFAOYSA-N,263.084369588,3.1833000000000022,CC(C)(C)NCC(O)c1ccccc1Cl.Cl,TULOBUTEROL HYDROCHLORIDE,1.0386,1.0877,1.06315,
-94980537,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC.O=C(O)[C@H](O)[C@@H](O)C(=O)O,ICVKYYINQHWDLM-HYHSIFHGSA-N,1065.5355879160004,-0.2890999999999813,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC.O=C(O)[C@H](O)[C@@H](O)C(=O)O,TYLOSIN TARTRATE,0.93272,0.8223,0.87751,
-30905341,CCCCCCCCc1cc(C)c(OC)c(CC)c1.CCCCCCCCc1ccc(OC)c(C)c1.CCCCCCCCc1ccc(OC)c(C)c1.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,XMVBCRTZOPFCFL-UHFFFAOYSA-N,1172.9041940280003,15.43025999999997,CCCCCCCCc1cc(C)c(OC)c(CC)c1.CCCCCCCCc1ccc(OC)c(C)c1.CCCCCCCCc1ccc(OC)c(C)c1.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,TYLOXAPOL,1.1721,1.0334,1.10275,
-11308094,NCCc1ccc(O)cc1,DZGWFCGJZKJUFP-UHFFFAOYSA-N,137.084063972,0.8934,NCCc1ccc(O)cc1,TYRAMINE,1.119,1.2196,1.1693,
-15769992,Cl.NC(Cc1ccc(O)cc1)C(=O)O,JJWFIVDAMOFNPS-UHFFFAOYSA-N,217.050570924,0.7684000000000001,Cl.NC(Cc1ccc(O)cc1)C(=O)O,TYROSINE HYDROCHLORIDE,1.2099,1.1064,1.15815,
-59823459,COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O,ACTIUHUUMQJHFO-UHFFFAOYSA-N,862.68391136,17.853899999999975,COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O,UBIDECARENONE [5mM],1.1611,0.88276,1.02193,
-11451504,O=c1ccc2ccc(O)cc2o1,ORHBXUUXSCNDEV-UHFFFAOYSA-N,162.031694052,1.4986,O=c1ccc2ccc(O)cc2o1,UMBELLIFERONE,1.0015,0.90749,0.954495,
-70118206,C=CCCCCCCCCC(=O)O,FRPZMMHWLSIFAZ-UHFFFAOYSA-N,184.14632988,3.3778000000000015,C=CCCCCCCCCC(=O)O,UNDECYLENIC ACID,1.172,0.91265,1.042325,
-63611440,O=c1cc[nH]c(=O)[nH]1,ISAKRJDGNUQOIC-UHFFFAOYSA-N,112.027277368,-0.9368000000000001,O=c1cc[nH]c(=O)[nH]1,URACIL,1.2257,1.179,1.20235,
-55141838,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl,KTMLZVUAXJERAT-UHFFFAOYSA-N,423.2037175,1.1385999999999994,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl,URAPIDIL HYDROCHLORIDE,1.2087,0.98803,1.098365,
-11271278,NC(N)=O,XSQUKJJJFZCRTK-UHFFFAOYSA-N,60.032362748,-0.9762000000000002,NC(N)=O,UREA,1.0508,0.9611,1.00595,
-90347637,CCOC(N)=O,JOYRKODLDBILNP-UHFFFAOYSA-N,89.047678464,0.10160000000000025,CCOC(N)=O,URETHANE,1.1754,1.1208,1.1481,
-18883575,O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,DRTQHJPVMGBUCF-XVFCMESISA-N,244.069536104,-2.8519,O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,URIDINE,0.87875,0.91989,0.89932,
-18118347,CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4CCCC[C@]4(C)C3CC[C@@]21C,RPKLZQLYODPWTM-UHJJYCRNSA-N,360.30283052,6.536300000000007,CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4CCCC[C@]4(C)C3CC[C@@]21C,URSOCHOLANIC ACID,1.357,0.91314,1.13507,
-67368815,C[C@H](CCC(=O)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@H]3O,RUDATBOHQWOJDD-ZLEVCPGMSA-N,392.29265975999994,4.477900000000006,C[C@H](CCC(=O)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@H]3O,URSODIOL,0.98661,0.92951,0.95806,
-47781502,C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C,WCGUUGGRBIKTOS-POPPTPIPSA-N,456.36034539599996,7.089500000000008,C[C@@H]1C2C3=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C,URSOLIC ACID,1.0361,1.2291,1.1326,
-49420984,CC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@]24OC(=O)[C@@]5(CCC(C)C(C)C52)CC[C@]43C)C1(C)C,NJLCBLDWBHWOFU-ZKEDVEDNSA-N,498.37091008,7.33500000000001,CC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@]24OC(=O)[C@@]5(CCC(C)C(C)C52)CC[C@]43C)C1(C)C,URSOLOLACTONE ACETATE,0.95694,0.87723,0.917085,
-44861008,CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C,CUCUKLJLRRAKFN-UHFFFAOYSA-N,344.089602852,1.49982,CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C,USNIC ACID,0.88775,0.93388,0.910815,
-22101886,CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)CC23OC2(C)O[C@]14[C@]1(C)[C@@H](CC(=O)OC)C5(C)CC1(O)[C@](O)(C5OC(=O)C1(C)OC1C)[C@@H](OC(C)=O)[C@]34O2,HPSILLNWMJOWNM-UJMOMDHXSA-N,816.3204502039999,2.708500000000001,CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)CC23OC2(C)O[C@@]34[C@H](OC(C)=O)[C@@]3(O)C(OC(=O)C5(C)OC5C)C5(C)CC3(O)[C@@](C)([C@H]5CC(=O)OC)[C@@]14O2,UTILIN,1.1071,1.4353,1.2712,
-95777620,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Cl,ZCDDBUOENGJMLV-QRPNPIFTSA-N,360.1312808320001,-0.3757999999999982,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Cl,VALACYCLOVIR HYDROCHLORIDE,1.2264,1.4188,1.3226,
-31475358,CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-],CEJGGHKJHDHLAZ-UHFFFAOYSA-M,385.161641364,0.8499000000000017,CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-],VALETHAMATE BROMIDE,1.355,1.532,1.4435,
-23119421,CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21.Cl,ZORWARFPXPVJLW-MTFPJWTKSA-N,390.1418455160001,-1.014899999999999,CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21.Cl,VALGANCICLOVIR HYDROCHLORIDE,0.90406,0.87297,0.888515,
-17197112,CC(C)[C@H](N)C(=O)O,KZSNJWFQEVHDMF-BYPYZUCNSA-N,117.078978592,0.05430000000000007,CC(C)[C@H](N)C(=O)O,VALINE (L),1.0969,0.98038,1.03864,
-97902806,CCCC(CCC)C(=O)[O-].[Na+],AEQFSUDEHCCHBT-UHFFFAOYSA-M,166.096974,-2.043299999999997,CCCC(CCC)C(=O)[O-].[Na+],VALPROATE SODIUM,1.0701,0.98967,1.029885,
-36513507,CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C,ACWBQPMHZXGDFX-QFIPXVFZSA-N,435.227039788,4.161700000000002,CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C,VALSARTAN,1.0372,1.0955,1.06635,
-56373652,CN[C@H](CC(C)C)C(=O)NC1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)NC3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2OC(CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl,LCTORFDMHNKUSG-INQOWBGRSA-N,1483.4068773519998,0.5280000000000036,CN[C@H](CC(C)C)C(=O)NC1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)NC3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2OC(CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl,VANCOMYCIN HYDROCHLORIDE,1.0058,0.92842,0.96711,
-44748513,COc1cc(C=O)ccc1O,MWOOGOJBHIARFG-UHFFFAOYSA-N,152.047344116,1.2132999999999998,COc1cc(C=O)ccc1O,VANILLIN,0.82274,0.86886,0.8458,
-11976232,COc1cc(C(=S)N2CCOCC2)ccc1O,WQYRHRAZNNRDIA-UHFFFAOYSA-N,253.07726434,1.4084999999999999,COc1cc(C(=S)N2CCOCC2)ccc1O,VANITIOLIDE,1.1978,0.89421,1.046005,
-60645398,CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl,XCMULUAPJXCOHI-UHFFFAOYSA-N,524.197252216,2.492220000000001,CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl,VARDENAFIL HYDROCHLORIDE,1.2116,1.2366,1.2241,
-34189950,CC(=O)O[C@H]1CC2CCC3C(CC[C@@]4(C)C3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-],VEPSYABRBFXYIB-WBNOQESISA-M,636.3501704039999,2.9699000000000044,CC(=O)O[C@H]1CC2CCC3C(CC[C@@]4(C)C3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-],VECURONIUM BROMIDE,1.0662,0.83267,0.949435,
-10227283,COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl,QYRYFNHXARDNFZ-UHFFFAOYSA-N,313.18085681599996,3.457400000000003,COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl,VENLAFAXINE HYDROCHLORIDE,0.86981,0.96429,0.91705,
-82492003,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl,DOQPXTMNIUCOSY-UHFFFAOYSA-N,490.25983540799996,5.514880000000007,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl,VERAPAMIL HYDROCHLORIDE,0.84547,1.0455,0.945485,
-57098901,COc1ccc(C(=O)O)cc1OC,DAUAQNGYDSHRET-UHFFFAOYSA-N,182.0579088,1.402,COc1ccc(C(=O)O)cc1OC,VERATRIC ACID,1.1185,0.94517,1.031835,
-99889996,C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)C[C@H](O)[C@@]6(O)[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@]5(O)C[C@@]42O[C@]13O.Cl,VSARLHXBMYVYSM-DJMUDAKSSA-N,627.31740986,1.4130000000000007,C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]2(C[C@@]2(O)[C@@H]5CN6C[C@@H](C)CC[C@H]6[C@@](C)(O)[C@@]5(O)[C@@H](O)C[C@@]42O)O[C@]13O.Cl,VERATRINE HYDROCHLORIDE,1.1391,1.0165,1.0778,
-46115767,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C1C(=O)C[C@@H]2C,HLXRWTJXGMHOFN-LEJUMIEUSA-N,388.13694696799996,-1.942599999999998,COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C1C(=O)C[C@@H]2C,VERBENALIN,1.1169,1.1426,1.12975,
-78229404,Cl.OC1CCCCC1N1CCC(c2ccccc2)CC1,XJNUHVMJVWOYCW-UHFFFAOYSA-N,295.170292132,3.591300000000002,Cl.OC1CCCCC1N1CCC(c2ccccc2)CC1,VESAMICOL HYDROCHLORIDE,0.87112,1.1767,1.02391,
-56161921,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,OIRDTQYFTABQOQ-UHTZMRCNSA-N,267.096753896,-1.9800000000000006,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,VIDARABINE,1.0281,1.1665,1.0973,
-32629727,Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,RPZBRGFNBNQSOP-UHFFFAOYSA-N,477.19315281599995,4.451380000000002,Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,VILAZODONE HYDROCHLORIDE,0.92487,0.90371,0.91429,
-95814541,CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O,KDQAABAKXDWYSZ-FCIBFBFCSA-N,908.3877589800001,3.3381000000000043,CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O,VINBLASTINE SULFATE,0.97227,0.95727,0.96477,
-10320646,CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32,RXPRRQLKFXBCSJ-HLAWJBBLSA-N,354.1943426919999,2.9525000000000015,CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32,VINCAMINE,0.97256,0.89312,0.93284,
-90353643,CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O,AQTQHPDCURKLKT-FCIBFBFCSA-N,922.3670235360001,2.8647000000000036,CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O,VINCRISTINE SULFATE,1.0033,0.92749,0.965395,
-57384124,CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)C4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32,CXBGOBGJHGGWIE-UDBGNGJRSA-N,456.2260367439998,1.6412999999999998,CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)C4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32,VINDOLINE,1.0588,1.2461,1.15245,
-93056880,CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,DDNCQMVWWZOMLN-IRLDBZIGSA-N,350.199428072,4.148300000000003,CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,VINPOCETINE,1.0826,1.037,1.0598,
-10412354,COc1cc(C/C=C/c2ccccc2)c(OC)cc1O,MGFYJNMOZGSGMU-UHFFFAOYSA-N,270.12559443600003,3.6653000000000024,COc1cc(C/C=C/c2ccccc2)c(OC)cc1O,VIOLASTYRENE,0.7978,1.0803,0.93905,
-99268585,NCCC[C@H](N)CC(=O)NC1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O.O=S(=O)(O)O,AQONYROJHRNYQQ-ODGWCPSJSA-N,783.2929641200003,-9.535600000000017,NCCC[C@H](N)CC(=O)NC1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O.O=S(=O)(O)O,VIOMYCIN SULFATE,0.90625,0.85361,0.87993,
-33743695,COc1c2ccoc2cc2oc(C)cc(=O)c12,NZVQLVGOZRELTG-UHFFFAOYSA-N,230.0579088,2.8562200000000013,COc1c2ccoc2cc2oc(C)cc(=O)c12,VISNAGIN,1.0777,1.1965,1.1371,
-21226676,OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,FZNCGRZWXLXZSZ-CIQUZCHMSA-N,267.13180201200004,-4.492399999999994,OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,VOGLIBOSE,1.0751,1.2825,1.1788,
-66822542,O=C(CCCCCCC(=O)Nc1ccccc1)NO,WAEXFXRVDQXREF-UHFFFAOYSA-N,264.1473925,2.4711,O=C(CCCCCCC(=O)Nc1ccccc1)NO,VORINOSTAT,0.94334,0.83531,0.889325,
-39063561,Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,VNGRUFUIHGGOOM-UHFFFAOYSA-N,378.0765318360001,4.442140000000004,Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,VORTIOXETINE HYDROBROMIDE,1.0899,1.1573,1.1236,
-38774565,COC(=O)/C(=C1\OC(=O)C(c2ccccc2)=C1O)c1ccccc1,OMZRMXULWNMRAE-UHFFFAOYSA-N,322.08412354800004,3.096800000000001,COC(=O)/C(=C1\OC(=O)C(c2ccccc2)=C1O)c1ccccc1,VULPINIC ACID,1.1016,1.1608,1.1312,
-85950594,CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,PJVWKTKQMONHTI-UHFFFAOYSA-N,308.10485899199995,3.609600000000003,CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,WARFARIN,1.1292,1.13,1.1296,
-50246654,CC1(C)[C@@H](O)CC[C@]2(C)C3CC=C4[C@@H]5C[C@@]6(C)C[C@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,HHQJBWYXBWOFJY-RNQURHQBSA-N,454.34469533199996,6.684300000000008,CC1(C)[C@@H](O)CC[C@]2(C)C3CC=C4[C@@H]5C[C@@]6(C)C[C@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,WILFORLIDE A,1.0296,0.92862,0.97911,
-44741891,O=c1c2ccccc2oc2ccccc12,JNELGWHKGNBSMD-UHFFFAOYSA-N,196.052429496,2.946200000000001,O=c1c2ccccc2oc2ccccc12,XANTHONE,0.96046,1.121,1.04073,
-60006572,Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1,VURKRJGMSKJIQX-UHFFFAOYSA-N,179.0443244,-1.4114000000000007,Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1,XANTHOPTERIN,1.1635,0.84688,1.00519,
-75879567,COc1cc(O)c(C(C)=O)c(OC)c1,FBUBVLUPUDBFME-UHFFFAOYSA-N,196.073558864,1.6119999999999999,COc1cc(O)c(C(C)=O)c(OC)c1,XANTHOXYLIN,1.1221,1.1291,1.1256,
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