name,formula,SMILES,InChI,InChIKey,ExactMass
Acetylcholine,C7H16NO2,CC(=O)OCC[N+](C)(C)C,"InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1",OIPILFWXSMYKGL-UHFFFAOYSA-N,146.1181038
Methionine sulfoxide,C5H11NO3S,CS(=O)CCC(C(=O)O)N,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",QEFRNWWLZKMPFJ-UHFFFAOYSA-N,165.0459644
Epibatidine,C11H13ClN2,C1CC2C(CC1N2)C3=CN=C(C=C3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2",NLPRAJRHRHZCQQ-UHFFFAOYSA-N,208.0767261
Huperzine-A,C15H18N2O,CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)",ZRJBHWIHUMBLCN-UHFFFAOYSA-N,242.1419132
"4-(5-{4-[Dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-N,N-dimethyl-N-prop-2-enylbenzenaminium",C27H38N2O2,C[N+](C)(CC=C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)CC=C,"InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2",ZAEXMNKDGJNLTA-UHFFFAOYSA-N,406.2984138
TNF Protease Inhibitor 2,C19H37N5O5,CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C,"InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)",LMIQCBIEAHJAMZ-UHFFFAOYSA-N,415.2794693
Tramiprosate,C3H9NO3S,C(CN)CS(=O)(=O)O,"InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)",SNKZJIOFVMKAOJ-UHFFFAOYSA-N,139.0303143
"4,5-Dianilinophthalimide",C20H15N3O2,C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4,"InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)",AAALVYBICLMAMA-UHFFFAOYSA-N,329.1164267
Tacrine,C13H14N2,C1CCC2=NC3=CC=CC=C3C(=C2C1)N,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)",YLJREFDVOIBQDA-UHFFFAOYSA-N,198.1156985
Donepezil,C24H29NO3,COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3",ADEBPBSSDYVVLD-UHFFFAOYSA-N,379.2147438
Galantamin,C17H21NO3,CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3",ASUTZQLVASHGKV-UHFFFAOYSA-N,287.1521435
Huprine x,C18H19ClN2,CCC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N,"InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)",QTPHSDHUHXUYFE-UHFFFAOYSA-N,298.1236763
Velnacrine,C13H14N2O,C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O,"InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)",HLVVITIHAZBPKB-UHFFFAOYSA-N,214.1106131
4-Piperidinecarboxamide,C6H12N2O,C1CNCCC1C(=O)N,"InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)",DPBWFNDFMCCGGJ-UHFFFAOYSA-N,128.094963
Linopirdine,C26H21N3O,C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5,"InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2",YEJCDKJIEMIWRQ-UHFFFAOYSA-N,391.1684623
Memantine,C12H21N,CC12CC3CC(C1)(CC(C3)(C2)N)C,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3",BUGYDGFZZOZRHP-UHFFFAOYSA-N,179.1673997
N-Benzylethanolamine,C9H13NO,C1=CC=C(C=C1)CNCCO,"InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2",XNIOWJUQPMKCIJ-UHFFFAOYSA-N,151.099714
Exelon,C14H22N2O2,CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3",XSVMFMHYUFZWBK-UHFFFAOYSA-N,250.1681279
2-(4-Phenylpiperidin-1-yl)cyclohexan-1-ol,C17H25NO,C1CCC(C(C1)N2CCC(CC2)C3=CC=CC=C3)O,"InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2",YSSBJODGIYRAMI-UHFFFAOYSA-N,259.1936144
"3,5-Dichlorobenzoic acid",C7H4Cl2O2,C1=C(C=C(C=C1Cl)Cl)C(=O)O,"InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)",CXKCZFDUOYMOOP-UHFFFAOYSA-N,189.9588348
Physostigmine,C15H21N3O2,C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1",PIJVFDBKTWXHHD-HIFRSBDPSA-N,275.1633769
1-Indanone,C9H8O,C1CC(=O)C2=CC=CC=C21,"InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2",QNXSIUBBGPHDDE-UHFFFAOYSA-N,132.0575149
Benzenesulfonyl chloride,C6H5ClO2S,C1=CC=C(C=C1)S(=O)(=O)Cl,"InChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",CSKNSYBAZOQPLR-UHFFFAOYSA-N,175.9698783
L-Pyroglutamic acid,C5H7NO3,C1CC(=O)N[C@@H]1C(=O)O,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",ODHCTXKNWHHXJC-VKHMYHEASA-N,129.0425931
"N,N-Dimethyl-p-phenylenediamine",C8H12N2,CN(C)C1=CC=C(C=C1)N,"InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3",BZORFPDSXLZWJF-UHFFFAOYSA-N,136.1000484
N-Ethylmorpholine,C6H13NO,CCN1CCOCC1,"InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3",HVCNXQOWACZAFN-UHFFFAOYSA-N,115.099714
Quinuclidine,C7H13N,C1CN2CCC1CC2,"InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2",SBYHFKPVCBCYGV-UHFFFAOYSA-N,111.1047994
2-Benzylpyridine,C12H11N,C1=CC=C(C=C1)CC2=CC=CC=N2,"InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2",PCFUWBOSXMKGIP-UHFFFAOYSA-N,169.0891494
1-Methylpyrrolidine,C5H11N,CN1CCCC1,"InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3",AVFZOVWCLRSYKC-UHFFFAOYSA-N,85.08914936
3'-Hydroxyacetophenone,C8H8O2,CC(=O)C1=CC(=CC=C1)O,"InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3",LUJMEECXHPYQOF-UHFFFAOYSA-N,136.0524295
"L-HISTIDINE, N-beta-ALANYL-",C9H14N4O3,C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN,"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)",CQOVPNPJLQNMDC-UHFFFAOYSA-N,226.1065903
Methyl trifluoromethanesulfonate,C2H3F3O3S,COS(=O)(=O)C(F)(F)F,"InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3",OIRDBPQYVWXNSJ-UHFFFAOYSA-N,163.9754996
Galantamine,C17H21NO3,CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1",ASUTZQLVASHGKV-JDFRZJQESA-N,287.1521435
2-Fluoropyridine,C5H4FN,C1=CC=NC(=C1)F,InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H,MTAODLNXWYIKSO-UHFFFAOYSA-N,97.03277729
Kokusaginine,C14H13NO4,COC1=C(C=C2C(=C1)C(=C3C=COC3=N2)OC)OC,"InChI=1S/C14H13NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h4-7H,1-3H3",JBRXRVFXQIKPEA-UHFFFAOYSA-N,259.0844579
2'-Nitroacetanilide,C8H8N2O3,CC(=O)NC1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C8H8N2O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13/h2-5H,1H3,(H,9,11)",BUNFNRVLMKHKIT-UHFFFAOYSA-N,180.0534921
Methanesulfonyl fluoride,CH3FO2S,CS(=O)(=O)F,"InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3",KNWQLFOXPQZGPX-UHFFFAOYSA-N,97.98377867
6-Aminoquinoline,C9H8N2,C1=CC2=C(C=CC(=C2)N)N=C1,"InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2",RJSRSRITMWVIQT-UHFFFAOYSA-N,144.0687483
Anatabine,C10H12N2,C1C=CCN[C@@H]1C2=CN=CC=C2,"InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1",SOPPBXUYQGUQHE-JTQLQIEISA-N,160.1000484
3-Bromopyridine,C5H4BrN,C1=CC(=CN=C1)Br,InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H,NYPYPOZNGOXYSU-UHFFFAOYSA-N,156.95271
"1,3-Dimethyladamantane",C12H20,CC12CC3CC(C1)CC(C3)(C2)C,"InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3",CWNOIUTVJRWADX-UHFFFAOYSA-N,164.1565006
2-Phenylbenzothiazole,C13H9NS,C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2,InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,XBHOUXSGHYZCNH-UHFFFAOYSA-N,211.0455705
Pyridinitril,C13H5Cl2N3,C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)Cl)Cl)C#N,InChI=1S/C13H5Cl2N3/c14-12-9(6-16)11(8-4-2-1-3-5-8)10(7-17)13(15)18-12/h1-5H,OVZITGHGWBXFEA-UHFFFAOYSA-N,272.9860526
"1,1'-Methylenedi-2-naphthol",C21H16O2,C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)O)O,"InChI=1S/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2",ZPANWZBSGMDWON-UHFFFAOYSA-N,300.1150297
Melperone,C16H22FNO,CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F,"InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3",DKMFBWQBDIGMHM-UHFFFAOYSA-N,263.1685425
"6H-Dibenzo[b,d]pyran-6-one",C13H8O2,C1=CC=C2C(=C1)C3=CC=CC=C3OC2=O,InChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H,TVKNXKLYVUVOCV-UHFFFAOYSA-N,196.0524295
Octyl carbamate,C9H19NO2,CCCCCCCCOC(=O)N,"InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H2,10,11)",YPNZTHVEMNUDND-UHFFFAOYSA-N,173.1415788
"1,5-Naphthalenediamine",C10H10N2,C1=CC2=C(C=CC=C2N)C(=C1)N,"InChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2",KQSABULTKYLFEV-UHFFFAOYSA-N,158.0843983
"2-[4-(Dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium",C17H19N2S,CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C,"InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1",FXEKRIDRIFBJOR-UHFFFAOYSA-N,283.1268948
"1,6-Heptadiene",C7H12,C=CCCCC=C,"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2",GEAWFZNTIFJMHR-UHFFFAOYSA-N,96.09390038
Butyrylcholine,C9H20NO2,CCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C9H20NO2/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1",YRIBGSCJIMXMPJ-UHFFFAOYSA-N,174.1494039
"2-Amino-4,5,6,7-tetrahydrobenzothiazole",C7H10N2S,C1CCC2=C(C1)N=C(S2)N,"InChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)",SMWAOXCEPHEGFV-UHFFFAOYSA-N,154.0564695
"1,2,3,4-Tetrahydro-5-aminoacridine",C13H14N2,C1CCC2=C(C1)C=C3C=CC=C(C3=N2)N,"InChI=1S/C13H14N2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h3,5-6,8H,1-2,4,7,14H2",MOWGHIVIVXUXBY-UHFFFAOYSA-N,198.1156985
"2-Amino-4,6-dimethylpyridine",C7H10N2,CC1=CC(=NC(=C1)N)C,"InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)",BRBUBVKGJRPRRD-UHFFFAOYSA-N,122.0843983
"2-phenyl-3,4-dihydro-2H-thiochromene",C15H14S,C1CC2=CC=CC=C2SC1C3=CC=CC=C3,"InChI=1S/C15H14S/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2",NRYGFMAOIPXXBW-UHFFFAOYSA-N,226.0816216
3-Quinuclidinyl benzilate,C21H23NO3,C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O,"InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2",HGMITUYOCPPQLE-UHFFFAOYSA-N,337.1677936
Schisandrin,C24H32O7,CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC,"InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3",YEFOAORQXAOVJQ-UHFFFAOYSA-N,432.2148034
"3,3-Dimethoxypropionaldehyde",C5H10O3,COC(CC=O)OC,"InChI=1S/C5H10O3/c1-7-5(8-2)3-4-6/h4-5H,3H2,1-2H3",KXVQJIFNPZJOTG-UHFFFAOYSA-N,118.0629942
"1,2:5,6-Dianhydro-D-mannitol",C6H10O4,C=C(C(C(C(=C)O)O)O)O,"InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h5-10H,1-2H2",PICUSLXKOFIWAJ-UHFFFAOYSA-N,146.0579088
4-Benzylpiperidine,C12H17N,C1CNCCC1CC2=CC=CC=C2,"InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2",ABGXADJDTPFFSZ-UHFFFAOYSA-N,175.1360995
Frentizole,C15H13N3O2S,COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3,"InChI=1S/C15H13N3O2S/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",JHBWYQRKOUBPCA-UHFFFAOYSA-N,299.0728478
Selinan,C15H28,CC1CCCC2(C1CC(CC2)C(C)C)C,"InChI=1S/C15H28/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3",DYEQPYSFRWUNNV-UHFFFAOYSA-N,208.2191009
"2,3-Dichlorobenzaldehyde",C7H4Cl2O,C1=CC(=C(C(=C1)Cl)Cl)C=O,InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,LLMLNAVBOAMOEE-UHFFFAOYSA-N,173.9639201
Pyridoxal phosphate,C8H10NO6P,CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O,"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)",NGVDGCNFYWLIFO-UHFFFAOYSA-N,247.024574
Levobunolol,C17H25NO3,CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O,"InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1",IXHBTMCLRNMKHZ-LBPRGKRZSA-N,291.1834437
2-Amino-4-phenylthiazole,C9H8N2S,C1=CC=C(C=C1)C2=CSC(=N2)N,"InChI=1S/C9H8N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)",PYSJLPAOBIGQPK-UHFFFAOYSA-N,176.0408194
Sabeluzole,C22H26FN3O2S,CN(C1CCN(CC1)CC(COC2=CC=C(C=C2)F)O)C3=NC4=CC=CC=C4S3,"InChI=1S/C22H26FN3O2S/c1-25(22-24-20-4-2-3-5-21(20)29-22)17-10-12-26(13-11-17)14-18(27)15-28-19-8-6-16(23)7-9-19/h2-9,17-18,27H,10-15H2,1H3",IGMKTIJBFUMVIN-UHFFFAOYSA-N,415.1729764
Besipirdine,C16H17N3,CCCN(C1=CC=NC=C1)N2C=CC3=CC=CC=C32,"InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3",OTPPJICEBWOCKD-UHFFFAOYSA-N,251.1422476
Xanomeline,C14H23N3OS,CCCCCCOC1=NSN=C1C2=CCCN(C2)C,"InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3",JOLJIIDDOBNFHW-UHFFFAOYSA-N,281.1561835
Zifrosilone,C11H13F3OSi,C[Si](C)(C)C1=CC=CC(=C1)C(=O)C(F)(F)F,"InChI=1S/C11H13F3OSi/c1-16(2,3)9-6-4-5-8(7-9)10(15)11(12,13)14/h4-7H,1-3H3",GAPOASFZXBWUGS-UHFFFAOYSA-N,246.0687761
"N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine",C8H14N2O,CN1CCC=C(C1)C=NOC,"InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3",YMMXHEYLRHNXAB-UHFFFAOYSA-N,154.1106131
Mirisetron,C24H31N3O2,CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=CN(C4=CC=CC=C4C3=O)C5CCCCC5,"InChI=1S/C24H31N3O2/c1-26-18-11-12-19(26)14-16(13-18)25-24(29)21-15-27(17-7-3-2-4-8-17)22-10-6-5-9-20(22)23(21)28/h5-6,9-10,15-19H,2-4,7-8,11-14H2,1H3,(H,25,29)/t16?,18-,19+",RFXHBILZLMJCSN-JLYLLQBASA-N,393.2416272
N-(3-Aminopropyl)morpholine,C7H16N2O,C1COCCN1CCCN,InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2,UIKUBYKUYUSRSM-UHFFFAOYSA-N,144.1262631
Octyl octanoate,C16H32O2,CCCCCCCCOC(=O)CCCCCCC,"InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3",DJNTZVRUYMHBTD-UHFFFAOYSA-N,256.2402303
Phenylalanylphenylalanine,C18H20N2O3,C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)N,"InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)",GKZIWHRNKRBEOH-UHFFFAOYSA-N,312.1473925
Tenilsetam,C8H10N2OS,C1CNC(=O)C(N1)C2=CC=CS2,"InChI=1S/C8H10N2OS/c11-8-7(9-3-4-10-8)6-2-1-5-12-6/h1-2,5,7,9H,3-4H2,(H,10,11)",BBACKDMGYMXYLE-UHFFFAOYSA-N,182.0513841
Eptastigmine,C21H33N3O2,CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN3C)C)C,"InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1",RRGMXBQMCUKRLH-CTNGQTDRSA-N,359.2572773
"N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine",C10H24N2O4,C(CN(CCO)CCO)N(CCO)CCO,"InChI=1S/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2",BYACHAOCSIPLCM-UHFFFAOYSA-N,236.1736073
Harmol,C12H10N2O,CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1,"InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3",LBBJNGFCXDOYMQ-UHFFFAOYSA-N,198.0793129
Deoxyvasicinone,C11H10N2O,C1CC2=NC3=CC=CC=C3C(=O)N2C1,"InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2",VARHXCYGZKSOOO-UHFFFAOYSA-N,186.0793129
3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium,C15H16N3S,CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2,"InChI=1S/C15H15N3S/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12/h4-9H,1-3H3/p+1",KKGWEPLBCABCDN-UHFFFAOYSA-O,270.1064937
Ethyl 2-nitrobenzoate,C9H9NO4,CCOC(=O)C1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C9H9NO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3",CPNMAYYYYSWTIV-UHFFFAOYSA-N,195.0531578
Methyl 3-nitrobenzoate,C8H7NO4,COC(=O)C1=CC(=CC=C1)[N+](=O)[O-],"InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3",AXLYJLKKPUICKV-UHFFFAOYSA-N,181.0375077
"2-Butenediamide, (2E)-, N1,N4-bis[2-(4,5-dihydro-2-nortall-oil alkyl-1H-imidazol-1-yl)ethyl] derivs.",C4H6N2O2,C(=CC(=O)N)C(=O)N,"InChI=1S/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)",BSSNZUFKXJJCBG-UHFFFAOYSA-N,114.0429274
DL-Methionine sulfone,C5H11NO4S,CS(=O)(=O)CCC(C(=O)O)N,"InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",UCUNFLYVYCGDHP-UHFFFAOYSA-N,181.040879
Talsaclidine,C10H15NO,C#CCO[C@H]1CN2CCC1CC2,"InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1",XVFJONKUSLSKSW-JTQLQIEISA-N,165.1153641
"4-(2-aminopropyl)-3,5-dichloro-N,N-dimethylaniline",C11H16Cl2N2,CC(CC1=C(C=C(C=C1Cl)N(C)C)Cl)N,"InChI=1S/C11H16Cl2N2/c1-7(14)4-9-10(12)5-8(15(2)3)6-11(9)13/h5-7H,4,14H2,1-3H3",DWBMENXBKOCHLV-UHFFFAOYSA-N,246.0690539
2-Thiophenesulfonamide,C4H5NO2S2,C1=CSC(=C1)S(=O)(=O)N,"InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)",KTFDYVNEGTXQCV-UHFFFAOYSA-N,162.9761708
Schisanhenol,C23H30O6,C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@H]1C)OC)OC)OC)O)OC)OC,"InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1",FYSHYFPJBONYCQ-QWHCGFSZSA-N,402.2042387
Sigmoidin B,C20H20O6,CC(=CCC1=C(C(=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C,"InChI=1S/C20H20O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3/t17-/m0/s1",SFQIGPZCFNTPOD-KRWDZBQOSA-N,356.1259884
5-Hydroxyuracil,C4H4N2O3,C1=C(C(=O)NC(=O)N1)O,"InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)",OFJNVANOCZHTMW-UHFFFAOYSA-N,128.022192
Homoeriodictyol,C16H14O6,COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O,"InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1",FTODBIPDTXRIGS-ZDUSSCGKSA-N,302.0790382
Callocyanine,C15H12N2O5,CN(C)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)O,"InChI=1S/C15H12N2O5/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19/h3-6,16H,1-2H3,(H,20,21)",DNLNTLLPAVLFLS-UHFFFAOYSA-N,300.0746215
"Urea, (2-hydroxyethyl)-",C3H8N2O2,C(CO)NC(=O)N,"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)",CLAHOZSYMRNIPY-UHFFFAOYSA-N,104.0585775
3-Aminopyrazole,C3H5N3,C1=C(NN=C1)N,"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",JVVRJMXHNUAPHW-UHFFFAOYSA-N,83.04834717
Acetylthiocholine,C7H16NOS,CC(=O)SCC[N+](C)(C)C,"InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1",GFFIJCYHQYHUHB-UHFFFAOYSA-N,162.0952603
Butyrylthiocholine,C9H20NOS,CCCC(=O)SCC[N+](C)(C)C,"InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1",AWBGQVBMGBZGLS-UHFFFAOYSA-N,190.1265604
"5,6-Dimethoxy-1-indanone",C11H12O3,COC1=C(C=C2C(=C1)CCC2=O)OC,"InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3",IHMQOBPGHZFGLC-UHFFFAOYSA-N,192.0786442
1-Benzylpiperidine,C12H17N,C1CCN(CC1)CC2=CC=CC=C2,"InChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2",NZVZVGPYTICZBZ-UHFFFAOYSA-N,175.1360995
6-Methoxy-2-methylbenzothiazole,C9H9NOS,CC1=NC2=C(S1)C=C(C=C2)OC,"InChI=1S/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3",DYHLJSUORLPGNT-UHFFFAOYSA-N,179.0404851
Cyclopropanecarbonyl chloride,C4H5ClO,C1CC1C(=O)Cl,"InChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2",ZOOSILUVXHVRJE-UHFFFAOYSA-N,104.0028925
"n,n,n-Trimethyl-2-(tetradecanoyloxy)ethanaminium",C19H40NO2,CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1S/C19H40NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20(2,3)4/h5-18H2,1-4H3/q+1",HYPHVSJUVHDHIL-UHFFFAOYSA-N,314.3059045
Rivastigmine,C14H22N2O2,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1",XSVMFMHYUFZWBK-NSHDSACASA-N,250.1681279
"1,2,4,5-Benzenetetramine",C6H10N4,C1=C(C(=CC(=C1N)N)N)N,"InChI=1S/C6H10N4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,7-10H2",ANUAIBBBDSEVKN-UHFFFAOYSA-N,138.0905463
Tetrahydro-4-methyl-2H-pyran,C6H12O,CC1CCOCC1,"InChI=1S/C6H12O/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3",OVRKATYHWPCGPZ-UHFFFAOYSA-N,100.088815
Phenyl N-phenylcarbamate,C13H11NO2,C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2,"InChI=1S/C13H11NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,14,15)",XVNKRRXASPPECQ-UHFFFAOYSA-N,213.0789786
4-Bromophenylboronic acid,C6H6BBrO2,B(C1=CC=C(C=C1)Br)(O)O,"InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H",QBLFZIBJXUQVRF-UHFFFAOYSA-N,199.96442
Diethyl iminodiacetate,C8H15NO4,CCOC(=O)CNCC(=O)OCC,"InChI=1S/C8H15NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h9H,3-6H2,1-2H3",LJDNMOCAQVXVKY-UHFFFAOYSA-N,189.100108
Chloroquine,C18H26ClN3,CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)",WHTVZRBIWZFKQO-UHFFFAOYSA-N,319.1815255
D-Aspartic acid,C4H7NO4,C([C@H](C(=O)O)N)C(=O)O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",CKLJMWTZIZZHCS-UWTATZPHSA-N,133.0375077
Piperidin-2-imine,C5H10N2,C1CCN=C(C1)N,"InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)",DHGUMNJVFYRSIG-UHFFFAOYSA-N,98.08439833
Hepps,C9H20N2O4S,C1CN(CCN1CCCS(=O)(=O)O)CCO,"InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)",OWXMKDGYPWMGEB-UHFFFAOYSA-N,252.1143783
2-Fluorophenyl isocyanate,C7H4FNO,C1=CC=C(C(=C1)N=C=O)F,InChI=1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,VZNCSZQPNIEEMN-UHFFFAOYSA-N,137.0276919
4-Methyl-3-nitroanisole,C8H9NO3,CC1=C(C=C(C=C1)OC)[N+](=O)[O-],"InChI=1S/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3",JBORNNNGTJSTLC-UHFFFAOYSA-N,167.0582431
"2-Ethyl-8-methyl-2,8-diazaspiro(4,5)decane-1,3-dione",C11H18N2O2,CCN1C(=O)CC2(C1=O)CCN(CC2)C,"InChI=1S/C11H18N2O2/c1-3-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11/h3-8H2,1-2H3",UIHKDOBBVHGTAQ-UHFFFAOYSA-N,210.1368278
"3,5-Dichloro-2-hydroxybenzenesulfonyl chloride",C6H3Cl3O3S,C1=C(C=C(C(=C1S(=O)(=O)Cl)O)Cl)Cl,"InChI=1S/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H",KXFQRJNVGBIDHA-UHFFFAOYSA-N,259.886848
S-Ethyl-L-cysteine,C5H11NO2S,CCSC[C@@H](C(=O)O)N,"InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",ULXKXLZEOGLCRJ-BYPYZUCNSA-N,149.0510498
Tarenflurbil,C15H13FO2,C[C@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",SYTBZMRGLBWNTM-SNVBAGLBSA-N,244.0899578
Maltol,C6H6O3,CC1=C(C(=O)C=CO1)O,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",XPCTZQVDEJYUGT-UHFFFAOYSA-N,126.031694
Pelletierine,C8H15NO,CC(=O)CC1CCCCN1,"InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3",JEIZLWNUBXHADF-UHFFFAOYSA-N,141.1153641
5-Methoxyflavone,C16H12O3,COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3,"InChI=1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3",XRQSPUXANRGDAV-UHFFFAOYSA-N,252.0786442
9-Acridinecarboxylic acid,C14H9NO2,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)O,"InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)",IYRYQBAAHMBIFT-UHFFFAOYSA-N,223.0633285
"5-(4-Hydroxybutyl)imidazolidine-2,4-dione",C7H12N2O3,C(CCO)CC1C(=O)NC(=O)N1,"InChI=1S/C7H12N2O3/c10-4-2-1-3-5-6(11)9-7(12)8-5/h5,10H,1-4H2,(H2,8,9,11,12)",SQKDMDCPJJTKKB-UHFFFAOYSA-N,172.0847923
Diphenylpropynone,C15H10O,C1=CC=C(C=C1)C#CC(=O)C2=CC=CC=C2,InChI=1S/C15H10O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,YECVQOULKHBGEN-UHFFFAOYSA-N,206.0731649
Glycyl-L-glutamic acid,C7H12N2O5,C(CC(=O)O)[C@@H](C(=O)O)NC(=O)CN,"InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1",IEFJWDNGDZAYNZ-BYPYZUCNSA-N,204.0746215
Eburnamine,C19H24N2O,CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4[C@@H](C2)O,"InChI=1S/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3/t16-,18+,19-/m1/s1",HONLKDDLTAZVQV-NZSAHSFTSA-N,296.1888634
"L-Cysteine, S-propyl-",C6H13NO2S,CCCSC[C@@H](C(=O)O)N,"InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",WAAGBMYUYFBZIW-YFKPBYRVSA-N,163.0666998
"6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate",C12H18O2,CC(=O)OC1CC2CC(C1=C)C2(C)C,"InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3",UDBAGFUFASPUFS-UHFFFAOYSA-N,194.1306798
"3',5'-Dihydroxyacetophenone",C8H8O3,CC(=O)C1=CC(=CC(=C1)O)O,"InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3",WQXWIKCZNIGMAP-UHFFFAOYSA-N,152.0473441
"(2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane",C11H13ClN2,C1CC2[C@H](C[C@H]1N2)C3=CN=C(C=C3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10?/m0/s1",NLPRAJRHRHZCQQ-QIIDTADFSA-N,208.0767261
"1,4,6-Androstatrien-3-one-17beta-ol",C19H24O2,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C=CC4=CC(=O)C=C[C@]34C,"InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-17,21H,5-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",WGFQJPRCLLMHRT-DYKIIFRCSA-N,284.17763
Delartine,C37H50N2O10,CCN1CC2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21?,22+,24-,25-,27+,28-,29+,30-,33?,34?,35+,36?,37?/m0/s1",XLTANAWLDBYGFU-SAWFIOPFSA-N,682.3465458
Dityrosine,C18H20N2O6,C1=CC(=C(C=C1CC(C(=O)O)N)C2=C(C=CC(=C2)CC(C(=O)O)N)O)O,"InChI=1S/C18H20N2O6/c19-13(17(23)24)7-9-1-3-15(21)11(5-9)12-6-10(2-4-16(12)22)8-14(20)18(25)26/h1-6,13-14,21-22H,7-8,19-20H2,(H,23,24)(H,25,26)",OQALFHMKVSJFRR-UHFFFAOYSA-N,360.1321364
"11alpha-Hydroxyandrosta-1,4-diene-3,17-dione",C19H24O3,C[C@]12C[C@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C)O,"InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15+,17+,18-,19-/m0/s1",ZHOLUHXKCIXGSR-GBHAUCNQSA-N,300.1725446
"2,6,6-Trimethylcyclohexene-1-methanol",C10H18O,CC1=C(C(CCC1)(C)C)CO,"InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h11H,4-7H2,1-3H3",QWNGCDQJLXENDZ-UHFFFAOYSA-N,154.1357652
Propylphosphonic anhydride,C9H21O6P3,CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC,"InChI=1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3",PAQZWJGSJMLPMG-UHFFFAOYSA-N,318.0550994
Neoeriocitrin,C27H32O15,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O,"InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",OBKKEZLIABHSGY-DOYQYKRZSA-N,596.1741203
"7-Methoxy-1,2,3,4-tetrahydroacridin-9-amine",C14H16N2O,COC1=CC2=C(C=C1)N=C3CCCCC3=C2N,"InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)",APQPVVOYBLOJDY-UHFFFAOYSA-N,228.1262631
Eseroline,C13H18N2O,C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)O)C)C,"InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13+/m1/s1",HKGWQUVGHPDEBZ-OLZOCXBDSA-N,218.1419132
"N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide",C27H38N6O2,CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4,"InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)",MZDYABXXPZNUCT-UHFFFAOYSA-N,478.3056245
4-Acetoxy-2-azetidinone,C5H7NO3,CC(=O)OC1CC(=O)N1,"InChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)",OEYMQQDJCUHKQS-UHFFFAOYSA-N,129.0425931
2-oxo-2H-chromene-3-carboxamide,C10H7NO3,C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N,"InChI=1S/C10H7NO3/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H2,11,12)",XMQOBGDXGQSRID-UHFFFAOYSA-N,189.0425931
24(S)-hydroxycholesterol,C27H46O2,C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1",IOWMKBFJCNLRTC-XWXSNNQWSA-N,402.3497807
CID 122146,C32H59N2O8S,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,"InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1",GUQQBLRVXOUDTN-XOHPMCGNSA-O,631.399213
3-Quinuclidinyl-4-iodobenzilate,C21H22INO3,C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)I)O,"InChI=1S/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2",MHBGDNWDRYOZPX-UHFFFAOYSA-N,463.06444
1-Benzylpyrrolidine,C11H15N,C1CCN(C1)CC2=CC=CC=C2,"InChI=1S/C11H15N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7H,4-5,8-10H2",CWEGCQIIDCZZED-UHFFFAOYSA-N,161.1204495
S-Propyl-L-cysteine,C6H13NO2S,CCCSCC(C(=O)O)N,"InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",WAAGBMYUYFBZIW-UHFFFAOYSA-N,163.0666998
"N,N-Methylethylphenylcarbamate",C10H13NO2,CCN(C)C(=O)OC1=CC=CC=C1,"InChI=1S/C10H13NO2/c1-3-11(2)10(12)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3",CMEHRSPFSMBENE-UHFFFAOYSA-N,179.0946287
"7-N,N-Dimethylaminosulfonyl-4-(2,1,3-benzoxadiazolyl)isothiocyanate",C9H8N4O3S2,CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N=C=S,"InChI=1S/C9H8N4O3S2/c1-13(2)18(14,15)7-4-3-6(10-5-17)8-9(7)12-16-11-8/h3-4H,1-2H3",SUOZAUUDBKHLHQ-UHFFFAOYSA-N,284.0037825
Clausenamide,C18H19NO3,CN1[C@@H]([C@@H]([C@H](C1=O)O)C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)O,"InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15-,16+,17+/m0/s1",WGYGSZOQGYRGIP-MWDXBVQZSA-N,297.1364935
[O-(1-O-Palmitoyl-2-O-[6-(1-pyrenyl)hexanoyl]-L-glycero-3-phospho)choline]anion,C46H69NO8P,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1,"InChI=1S/C46H68NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-25-43(48)52-35-41(36-54-56(50,51)53-34-33-47(2,3)4)55-44(49)26-20-17-18-22-37-27-28-40-30-29-38-23-21-24-39-31-32-42(37)46(40)45(38)39/h21,23-24,27-32,41H,5-20,22,25-26,33-36H2,1-4H3/p+1/t41-/m1/s1",YUSSRHTYLXAJFX-VQJSHJPSSA-O,794.4760802
Dehydrotanshinone II A,C19H16O3,CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C,"InChI=1S/C19H16O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h4-7,9H,8H2,1-3H3",PURTYNPVRFEUEN-UHFFFAOYSA-N,292.1099444
2-Carboxy-D-arabinitol 1-phosphate,C6H13O10P,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)O,"InChI=1S/C6H13O10P/c7-1-3(8)4(9)6(12,5(10)11)2-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/t3-,4-,6-/m1/s1",UJTMIRNFEXKGMS-ZMIZWQJLSA-N,276.0246336
"5H-Pyrido[4,3-b]indole",C11H8N2,C1=CC=C2C(=C1)C3=C(N2)C=CN=C3,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-7,13H",RDMFHRSPDKWERA-UHFFFAOYSA-N,168.0687483
Fluoro-p-chloroamphetamine,C9H11ClFN,C1=CC(=CC=C1CC(CF)N)Cl,"InChI=1S/C9H11ClFN/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,9H,5-6,12H2",BXLICFUSUZPSHT-UHFFFAOYSA-N,187.0564052
"3-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1,2,5,6-tetrahydro-1-methylpyridine",C12H19N3S2,CCCCSC1=NSN=C1C2=CCCN(C2)C,"InChI=1S/C12H19N3S2/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3",SFXHHGRYNXLPKT-UHFFFAOYSA-N,269.10204
Tazomeline,C14H23N3S2,CCCCCCSC1=NSN=C1C2=CCCN(C2)C,"InChI=1S/C14H23N3S2/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3",XUHMGFKQBWZWPO-UHFFFAOYSA-N,297.1333401
Leiokinine A,C14H17NO2,CCCC1=C(C(=O)C2=CC=CC=C2N1C)OC,"InChI=1S/C14H17NO2/c1-4-7-12-14(17-3)13(16)10-8-5-6-9-11(10)15(12)2/h5-6,8-9H,4,7H2,1-3H3",GEGKYZYCKNLWLI-UHFFFAOYSA-N,231.1259288
Quilostigmine,C23H27N3O2,C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)N4CCC5=CC=CC=C5C4)C)C,"InChI=1S/C23H27N3O2/c1-23-11-13-24(2)21(23)25(3)20-9-8-18(14-19(20)23)28-22(27)26-12-10-16-6-4-5-7-17(16)15-26/h4-9,14,21H,10-13,15H2,1-3H3/t21-,23+/m1/s1",IIFRKALDATVOJE-GGAORHGYSA-N,377.2103271
"Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethyl-",C31H42ClN5O3,CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)Cl)C(=O)NC4=C2N=CC=C4,"InChI=1S/C31H42ClN5O3/c1-5-15-31(3,4)30(40)36(6-2)17-8-9-22-13-18-35(19-14-22)21-27(38)37-26-12-11-23(32)20-24(26)29(39)34-25-10-7-16-33-28(25)37/h7,10-12,16,20,22H,5-6,8-9,13-15,17-19,21H2,1-4H3,(H,34,39)",LUPAFPUKESJDMZ-UHFFFAOYSA-N,567.2976179
"5-((4-(4-(Diisobutylamino)butyl)-1-phenyl)acetyl)-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepin-11-one",C33H41N3O2,CC(C)CN(CCCCC1=CC=C(C=C1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42)CC(C)C,"InChI=1S/C33H41N3O2/c1-24(2)22-35(23-25(3)4)20-10-9-11-26-16-18-27(19-17-26)21-32(37)36-30-14-7-5-12-28(30)33(38)34-29-13-6-8-15-31(29)36/h5-8,12-19,24-25H,9-11,20-23H2,1-4H3,(H,34,38)",NWABYTQGWGJUFJ-UHFFFAOYSA-N,511.3198776
N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine,C16H18N2O2,COC1=CC=CC(=C1)C#CCON=C2CN3CCC2C3,"InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3",FXBXWJPMXQHOGD-UHFFFAOYSA-N,270.1368278
N-Methylpiperidin-4-yl propionate,C9H17NO2,CCC(=O)OC1CCN(CC1)C,"InChI=1S/C9H17NO2/c1-3-9(11)12-8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3",OVQSLAXVKJVHJO-UHFFFAOYSA-N,171.1259288
3-Trimethylaminomethylcatechol,C10H16NO2,C[N+](C)(C)CC1=C(C(=CC=C1)O)O,"InChI=1S/C10H15NO2/c1-11(2,3)7-8-5-4-6-9(12)10(8)13/h4-6H,7H2,1-3H3,(H-,12,13)/p+1",WVUCCYPTKSKWSY-UHFFFAOYSA-O,182.1181038
Bicyclo[3.2.2]nonane,C9H16,C1CC2CCC(C1)CC2,"InChI=1S/C9H16/c1-2-8-4-6-9(3-1)7-5-8/h8-9H,1-7H2",GNTFBMAGLFYMMZ-UHFFFAOYSA-N,124.1252005
4-Aminopent-3-en-2-one,C5H9NO,CC(=CC(=O)C)N,"InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3",OSLAYKKXCYSJSF-UHFFFAOYSA-N,99.06841391
"1,4,5,6-Tetrahydropyrimidine",C4H8N2,C1CNC=NC1,"InChI=1S/C4H8N2/c1-2-5-4-6-3-1/h4H,1-3H2,(H,5,6)",VBXZSFNZVNDOPB-UHFFFAOYSA-N,84.06874826
Fenchane,C10H18,CC1(CC2(CCC1C2)C)C,"InChI=1S/C10H18/c1-9(2)7-10(3)5-4-8(9)6-10/h8H,4-7H2,1-3H3",HINAOCRDJFBYGD-UHFFFAOYSA-N,138.1408506
"3',4'-Dihydroxyflavone",C15H10O4,C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O,"InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H",SRNPMQHYWVKBAV-UHFFFAOYSA-N,254.0579088
"7,8-Dehydrorutaecarpine",C18H11N3O,C1=CC=C2C(=C1)C3=C(N2)C4=NC5=CC=CC=C5C(=O)N4C=C3,"InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-10,19H",KLONOPPMRIDVGM-UHFFFAOYSA-N,285.090212
1-Methyl-4-piperidyl acetate,C8H15NO2,CC(=O)OC1CCN(CC1)C,"InChI=1S/C8H15NO2/c1-7(10)11-8-3-5-9(2)6-4-8/h8H,3-6H2,1-2H3",RWPYOAUYOSFJQV-UHFFFAOYSA-N,157.1102787
6-Hydroxybenzothiazole,C7H5NOS,C1=CC2=C(C=C1O)SC=N2,"InChI=1S/C7H5NOS/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H",ORIIXCOYEOIFSN-UHFFFAOYSA-N,151.009185
"2,2,6,6-Tetramethyl-4-capryloyl-oxypiperidine-1-oxyl",C17H32NO3,CCCCCCCC(=O)OC1CC(N(C(C1)(C)C)[O])(C)C,"InChI=1S/C17H32NO3/c1-6-7-8-9-10-11-15(19)21-14-12-16(2,3)18(20)17(4,5)13-14/h14H,6-13H2,1-5H3",QODOVAKWRHRQEC-UHFFFAOYSA-N,298.2382189
1-[Bis(4-fluorophenyl)methyl]piperazine,C17H18F2N2,C1CN(CCN1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F,"InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2",TTXIFFYPVGWLSE-UHFFFAOYSA-N,288.1438049
"1,2,3,4-Tetrahydroacridine",C13H13N,C1CCC2=NC3=CC=CC=C3C=C2C1,"InChI=1S/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,7,9H,2,4,6,8H2",RXBYRTSOWREATF-UHFFFAOYSA-N,183.1047994
Z-Phe-Ala-Diazomethylketone,C21H22N4O4,C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2,"InChI=1S/C21H22N4O4/c1-15(19(26)13-23-22)24-20(27)18(12-16-8-4-2-5-9-16)25-21(28)29-14-17-10-6-3-7-11-17/h2-11,13,15,18H,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-/m0/s1",QMPATRQNERZOMF-YJBOKZPZSA-N,394.1641052
Muscarone,C9H18NO2,C[C@H]1C(=O)C[C@H](O1)C[N+](C)(C)C,"InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m0/s1",XKOQIVSZENKHPJ-YUMQZZPRSA-N,172.1337538
"(2R,3R,4S,5S,6R)-2-[[(6R,8R,10R,12S,14S)-3,12-dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C36H62O9,CC(=CCC[C@](C)(C1CC[C@]2(C1[C@H](CC3[C@]2(C[C@H](C4[C@@]3(CCC(C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C,"InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20?,21-,22+,23+,24?,25?,26?,27+,28-,29+,30?,31+,33+,34-,35+,36+/m0/s1",RAQNTCRNSXYLAH-VLBLZPEBSA-N,638.4393836
L-methionine sulfoxide,C5H11NO3S,CS(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1",QEFRNWWLZKMPFJ-YGVKFDHGSA-N,165.0459644
Tripchlorolide,C20H25ClO6,CC(C)[C@@]1([C@@H]([C@H]2[C@@]3(O2)[C@]4(CCC5=C([C@@H]4C[C@H]6[C@]3([C@@H]1O)O6)COC5=O)C)Cl)O,"InChI=1S/C20H25ClO6/c1-8(2)18(24)13(21)14-20(27-14)17(3)5-4-9-10(7-25-15(9)22)11(17)6-12-19(20,26-12)16(18)23/h8,11-14,16,23-24H,4-7H2,1-3H3/t11-,12-,13+,14-,16+,17-,18-,19+,20+/m0/s1",OIMACDABKWJVSQ-LZVGCMTRSA-N,396.1339662
Homolycorine,C18H21NO4,CN1CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=CC(=C(C=C4C(=O)O3)OC)OC,"InChI=1S/C18H21NO4/c1-19-7-6-10-4-5-13-16(17(10)19)11-8-14(21-2)15(22-3)9-12(11)18(20)23-13/h4,8-9,13,16-17H,5-7H2,1-3H3/t13-,16-,17-/m1/s1",WXZAKVLYZHWSNF-KBRIMQKVSA-N,315.1470582
"3,4,5-Trihydroxyphenylalanine",C9H11NO5,C1=C(C=C(C(=C1O)O)O)C[C@@H](C(=O)O)N,"InChI=1S/C9H11NO5/c10-5(9(14)15)1-4-2-6(11)8(13)7(12)3-4/h2-3,5,11-13H,1,10H2,(H,14,15)/t5-/m0/s1",KQZQZOQFUQXPLW-YFKPBYRVSA-N,213.0637225
2-(4-Isobutylphenyl)propionic acid 2-[dimethyl(octyl)aminio]ethyl ester,C25H44NO2,CCCCCCCC[N+](C)(C)CCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C,"InChI=1S/C25H44NO2/c1-7-8-9-10-11-12-17-26(5,6)18-19-28-25(27)22(4)24-15-13-23(14-16-24)20-21(2)3/h13-16,21-22H,7-12,17-20H2,1-6H3/q+1",AGTDUODCVZVMLI-UHFFFAOYSA-N,390.3372046
Cassiaside,C20H20O9,CC1=CC(=O)C2=C(O1)C=C3C=CC=C(C3=C2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C20H20O9/c1-8-5-10(22)15-12(27-8)6-9-3-2-4-11(14(9)17(15)24)28-20-19(26)18(25)16(23)13(7-21)29-20/h2-6,13,16,18-21,23-26H,7H2,1H3/t13-,16-,18+,19-,20-/m1/s1",SBVZTBIAKFTNIJ-CZNQJBLBSA-N,404.1107322
"1H-Imidazo[4,5-f]quinoline",C10H7N3,C1=CNC2=CC=C3C(=NC=N3)C2=C1,"InChI=1S/C10H7N3/c1-2-7-8(11-5-1)3-4-9-10(7)13-6-12-9/h1-6,11H",FOLSLCYDXFQZJP-UHFFFAOYSA-N,169.0639972
"4',5-Dihydroxyflavone",C15H10O4,C1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O,"InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16-17H",OKRNDQLCMXUCGG-UHFFFAOYSA-N,254.0579088
5-L-Glutamylglycine,C7H12N2O5,C(CC(=O)NCC(=O)O)[C@@H](C(=O)O)N,"InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1",ACIJGUBIMXQCMF-BYPYZUCNSA-N,204.0746215
Rockogenin,C27H44O4,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1,"InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1",BQNMOLSYHYSCMS-TUUYSWIFSA-N,432.3239599
"5-(4,6-Dichlorotriazinyl)aminofluorescein",C23H12Cl2N4O5,C1=CC2=C(C=C1NC3=NC(=NC(=N3)Cl)Cl)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O,"InChI=1S/C23H12Cl2N4O5/c24-20-27-21(25)29-22(28-20)26-10-1-4-14-13(7-10)19(32)34-23(14)15-5-2-11(30)8-17(15)33-18-9-12(31)3-6-16(18)23/h1-9,30-31H,(H,26,27,28,29)",HWQQCFPHXPNXHC-UHFFFAOYSA-N,494.0184749
Erysodine,C18H21NO3,CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)O)C=C1,"InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1",BDIVMECULLJBMU-KSSFIOAISA-N,299.1521435
Icopezil,C23H25N3O2,C1CN(CCC1CCC2=NOC3=C2C=C4CC(=O)NC4=C3)CC5=CC=CC=C5,"InChI=1S/C23H25N3O2/c27-23-13-18-12-19-20(25-28-22(19)14-21(18)24-23)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)",MTCMTKNMZCPKLX-UHFFFAOYSA-N,375.1946771
Barrigenol A1,C30H50O5,C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3([C@H]([C@H]([C@@]5([C@@H]4CC(C[C@@H]5O)(C)C)CO)O)O)C)C)(C)C)O,"InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)23(34)24(35)30(18,16-31)22(33)15-25/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19?,20-,21+,22+,23+,24-,27+,28-,29+,30-/m1/s1",MBKUYULYIBPFSF-RIQJFFIGSA-N,490.3658247
Alvameline,C9H15N5,CCN1N=C(N=N1)C2=CCCN(C2)C,"InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3",RNMOMKCRCIRYCZ-UHFFFAOYSA-N,193.1327455
"(R,Z)-N-Methoxyquinuclidine-3-carbimidoyl cyanide",C10H15N3O,CON=C(C#N)[C@H]1CN2CCC1CC2,"InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/t9-/m0/s1",IQWCBYSUUOFOMF-VIFPVBQESA-N,193.1215121
"9-Amino-1,2,3,4-tetrahydroacridin-2-ol",C13H14N2O,C1CC2=NC3=CC=CC=C3C(=C2CC1O)N,"InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16)7-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)",PYCYYSWVRAEADT-UHFFFAOYSA-N,214.1106131
11-Hydroxyyohimbine,C21H26N2O4,COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=C(N4)C=C(C=C5)O)O,"InChI=1S/C21H26N2O4/c1-27-21(26)19-15-9-17-20-14(13-4-3-12(24)8-16(13)22-20)6-7-23(17)10-11(15)2-5-18(19)25/h3-4,8,11,15,17-19,22,24-25H,2,5-7,9-10H2,1H3/t11-,15-,17-,18-,19+/m0/s1",MIUYYRGOYGWVDO-JHZUCGOESA-N,370.1892573
Cylindrin,C31H52O,CC(C)[C@@H]1CC[C@H]2[C@]1(CC[C@@]3([C@@]2(CC=C4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC)C)C)C)C,"InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24-,25-,26-,28+,29-,30-,31+/m0/s1",MRNPHCMRIQYRFU-UWAWSDATSA-N,440.4018163
Lawsoniaside,C22H28O13,C1=CC=C2C(=C1)C(=CC(=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C22H28O13/c23-6-12-14(26)16(28)18(30)21(33-12)32-11-5-10(25)20(9-4-2-1-3-8(9)11)35-22-19(31)17(29)15(27)13(7-24)34-22/h1-5,12-19,21-31H,6-7H2/t12-,13-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1",MFKUFDGNYITGPN-WFRIJLMHSA-N,500.1529909
N-Methyltacrine,C14H16N2,[11CH3]NC1=C2CCCCC2=NC3=CC=CC=C31,"InChI=1S/C14H16N2/c1-15-14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2,4,6,8H,3,5,7,9H2,1H3,(H,15,16)/i1-1",OBXGPCSAPSCKID-BJUDXGSMSA-N,211.1427811
Phenserine,C20H23N3O2,C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C,"InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1",PBHFNBQPZCRWQP-QUCCMNQESA-N,337.179027
Aminocholine,C5H15N2,C[N+](C)(C)CCN,"InChI=1S/C5H15N2/c1-7(2,3)5-4-6/h4-6H2,1-3H3/q+1",QMRGNVUDLXOZPG-UHFFFAOYSA-N,103.1235235
Huperzinine,C17H22N2O,CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@](C1)([C@@H]2C=C)N(C)C,"InChI=1S/C17H22N2O/c1-5-13-12-8-11(2)10-17(13,19(3)4)14-6-7-16(20)18-15(14)9-12/h5-8,12-13H,1,9-10H2,2-4H3,(H,18,20)/t12-,13+,17+/m0/s1",GDGWMBXSNPMXBY-OGHNNQOOSA-N,270.1732133
"1-(2,4-Dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol",C34H26O8,CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O,"InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3",MJJWBJFYYRAYKU-UHFFFAOYSA-N,562.1627678
Latrepirdine,C21H25N3,CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C,"InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3",JNODQFNWMXFMEV-UHFFFAOYSA-N,319.2048478
Zanapezil,C25H32N2O,C1CCNC2=C(C1)C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4,"InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2",PMBLXLOXUGVTGB-UHFFFAOYSA-N,376.2514636
"4,5,6,7-Tetrahydro-1,3-benzoxazol-2-amine",C7H10N2O,C1CCC2=C(C1)N=C(O2)N,"InChI=1S/C7H10N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)",WHPXIOARQDHUIK-UHFFFAOYSA-N,138.0793129
"(13S,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol",C18H21NO5,CN1C[C@@]2(C3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O,"InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17?,18-/m1/s1",YLWAQARRNQVEHD-UQVYVYFOSA-N,331.1419728
beta-[(Hexahydro-1H-azepin)-1-yl]propiophenone,C15H21NO,C1CCCN(CC1)CCC(=O)C2=CC=CC=C2,"InChI=1S/C15H21NO/c17-15(14-8-4-3-5-9-14)10-13-16-11-6-1-2-7-12-16/h3-5,8-9H,1-2,6-7,10-13H2",GAWIINVGWPHVKR-UHFFFAOYSA-N,231.1623143
Ladostigil,C16H20N2O2,CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1,"InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1",LHXOCOHMBFOVJS-OAHLLOKOSA-N,272.1524779
"6beta,11alpha-Dihydroxyprogesterone",C21H30O4,CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)O)C,"InChI=1S/C21H30O4/c1-11(22)14-4-5-15-13-9-17(24)16-8-12(23)6-7-20(16,2)19(13)18(25)10-21(14,15)3/h8,13-15,17-19,24-25H,4-7,9-10H2,1-3H3/t13-,14+,15-,17+,18+,19+,20-,21+/m0/s1",KDHBHXVDYRGRDL-KDZLLLCRSA-N,346.2144094
"3-Phenyl-1,1,1-Trifluoropropan-2-One",C9H7F3O,C1=CC=C(C=C1)CC(=O)C(F)(F)F,"InChI=1S/C9H7F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2",IAJKTOIWQHTZOS-UHFFFAOYSA-N,188.0448993
3-(1H-Indol-3-yl)propanohydrazide,C11H13N3O,C1=CC=C2C(=C1)C(=CN2)CCC(=O)NN,"InChI=1S/C11H13N3O/c12-14-11(15)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6,12H2,(H,14,15)",ORDWJFLEEAHMJF-UHFFFAOYSA-N,203.105862
Heptyl carbamate,C8H17NO2,CCCCCCCOC(=O)N,"InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3,(H2,9,10)",AXMPFOXRWZXZFA-UHFFFAOYSA-N,159.1259288
Methyl 2-aminopyridine-4-carboxylate,C7H8N2O2,COC(=O)C1=CC(=NC=C1)N,"InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)",SVWWNEYBEFASMP-UHFFFAOYSA-N,152.0585775
"4,5-Dihydro-1,3-oxazol-2-amine",C3H6N2O,C1COC(=N1)N,"InChI=1S/C3H6N2O/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)",YAXGBZDYGZBRBQ-UHFFFAOYSA-N,86.04801282
4-Phenylsulfanyl-butan-2-one,C10H12OS,CC(=O)CCSC1=CC=CC=C1,"InChI=1S/C10H12OS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",AMQQWFLSHDKPPI-UHFFFAOYSA-N,180.0608862
"6,7-Dimethylquinoxaline",C10H10N2,CC1=CC2=NC=CN=C2C=C1C,"InChI=1S/C10H10N2/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h3-6H,1-2H3",JOAAHJHQXOCSAW-UHFFFAOYSA-N,158.0843983
"5,6-Dichloronicotinic acid",C6H3Cl2NO2,C1=C(C=NC(=C1Cl)Cl)C(=O)O,"InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)",RNRLTTNKVLFZJS-UHFFFAOYSA-N,190.9540837
4'-O-Methylnorbelladine,C16H19NO3,COC1=C(C=C(C=C1)CNCCC2=CC=C(C=C2)O)O,"InChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3",SDLILULALIDNSO-UHFFFAOYSA-N,273.1364935
"8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione",C15H16N4O2S,CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CSCC3=CC=CC=C3,"InChI=1S/C15H16N4O2S/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-22-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)",FEHAMBYTUPDFJE-UHFFFAOYSA-N,316.0993969
Tazettine,C18H21NO5,CN1CC2(C3(C1CC(C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O,"InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3",YLWAQARRNQVEHD-UHFFFAOYSA-N,331.1419728
"N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-acrylamide",C19H21NO3,COC1=C(C=C(C=C1)CCNC(=O)C=CC2=CC=CC=C2)OC,"InChI=1S/C19H21NO3/c1-22-17-10-8-16(14-18(17)23-2)12-13-20-19(21)11-9-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,21)",YMZWKEYJSYDVKL-UHFFFAOYSA-N,311.1521435
6-Bromochromen-2-one,C9H5BrO2,C1=CC2=C(C=CC(=O)O2)C=C1Br,InChI=1S/C9H5BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,XXRJDOQENVGLJT-UHFFFAOYSA-N,223.94729
"2-Amino-6-chloropyridine-3,5-dicarbonitrile",C7H3ClN4,C1=C(C(=NC(=C1C#N)Cl)N)C#N,"InChI=1S/C7H3ClN4/c8-6-4(2-9)1-5(3-10)7(11)12-6/h1H,(H2,11,12)",OKTHXARAGRKGBQ-UHFFFAOYSA-N,178.0046238
"2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one",C14H8INO2,C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3I,InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H,VEBIXPCJYGGBAF-UHFFFAOYSA-N,348.95998
1-(Prop-2-yn-1-yl)piperidine,C8H13N,C#CCN1CCCCC1,"InChI=1S/C8H13N/c1-2-6-9-7-4-3-5-8-9/h1H,3-8H2",LQSQLFOKTMSBEC-UHFFFAOYSA-N,123.1047994
N-(2-ethoxyphenyl)benzenesulfonamide,C14H15NO3S,CCOC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C14H15NO3S/c1-2-18-14-11-7-6-10-13(14)15-19(16,17)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3",ZJPGVRKOVQRPHT-UHFFFAOYSA-N,277.0772645
"3,6-diamino-4-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile",C13H10N6,C1=CC=C(C=C1)C2=C(C(=NC3=NNC(=C23)N)N)C#N,"InChI=1S/C13H10N6/c14-6-8-9(7-4-2-1-3-5-7)10-12(16)18-19-13(10)17-11(8)15/h1-5H,(H5,15,16,17,18,19)",CLVVBNMTYMKNAP-UHFFFAOYSA-N,250.0966943
"[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethylpropyl]-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium",C38H50N4O42,CC(C)(CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN4C(=O)C5=CC=CC=C5C4=O,"InChI=1S/C38H50N4O4/c1-38(2,26-40-36(45)31-20-13-16-28-17-14-21-32(33(28)31)37(40)46)27-42(5,6)24-12-8-7-11-23-41(3,4)25-15-22-39-34(43)29-18-9-10-19-30(29)35(39)44/h9-10,13-14,16-21H,7-8,11-12,15,22-27H2,1-6H3/q+2",JUFKZJDUYOXXML-UHFFFAOYSA-N,626.3832061
"5,8-Dihydronaphthalen-1-amine",C10H11N,C1C=CCC2=C1C=CC=C2N,"InChI=1S/C10H11N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7H,4,6,11H2",XISXRVFRLOWUBM-UHFFFAOYSA-N,145.0891494
3-[1-(Dimethylamino)ethyl]phenol,C10H15NO,CC(C1=CC(=CC=C1)O)N(C)C,"InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3",GQZXRLWUYONVCP-UHFFFAOYSA-N,165.1153641
Isorhyncophylline,C22H28N2O4,CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)",DAXYUDFNWXHGBE-UHFFFAOYSA-N,384.2049074
2-Hydroxy-1-propanesulfonic acid,C3H8O4S,CC(CS(=O)(=O)O)O,"InChI=1S/C3H8O4S/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H,5,6,7)",HSXUNHYXJWDLDK-UHFFFAOYSA-N,140.0143299
[5-(Carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate,C8H12N4S3,C1=C(SC(=C1)CSC(=N)N)CSC(=N)N,"InChI=1S/C8H12N4S3/c9-7(10)13-3-5-1-2-6(15-5)4-14-8(11)12/h1-2H,3-4H2,(H3,9,10)(H3,11,12)",XGDUNTSTRCLVLN-UHFFFAOYSA-N,260.0224099
Norbelladine,C15H17NO3,C1=CC(=CC=C1CCNCC2=CC(=C(C=C2)O)O)O,"InChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2",YJYUDTAJVLORNV-UHFFFAOYSA-N,259.1208434
Ala-Thr,C7H14N2O4,CC(C(C(=O)O)NC(=O)C(C)N)O,"InChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)",BUQICHWNXBIBOG-UHFFFAOYSA-N,190.0953569
gomisin K3,C23H30O6,CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC,"InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3",FYSHYFPJBONYCQ-UHFFFAOYSA-N,402.2042387
Belladine,C19H25NO3,CN(CCC1=CC=C(C=C1)OC)CC2=CC(=C(C=C2)OC)OC,"InChI=1S/C19H25NO3/c1-20(12-11-15-5-8-17(21-2)9-6-15)14-16-7-10-18(22-3)19(13-16)23-4/h5-10,13H,11-12,14H2,1-4H3",LTXRLUQBZWBCGH-UHFFFAOYSA-N,315.1834437
Caranine,C16H17NO3,C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=CC[C@H]5O)OCO4,"InChI=1S/C16H17NO3/c18-12-2-1-9-3-4-17-7-10-5-13-14(20-8-19-13)6-11(10)15(12)16(9)17/h1,5-6,12,15-16,18H,2-4,7-8H2/t12-,15-,16-/m1/s1",XKYSLILSDJBMCU-DAXOMENPSA-N,271.1208434
Haemanthamine,C17H19NO4,CO[C@H]1C[C@H]2[C@@]3(C=C1)[C@H](CN2CC4=CC5=C(C=C34)OCO5)O,"InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1",YGPRSGKVLATIHT-HSHDSVGOSA-N,301.1314081
Cyanidin 3-O-galactoside,C21H21O11,C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",RKWHWFONKJEUEF-WVXKDWSHSA-O,449.1083865
"[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate",C37H50N2O10,CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22-,24+,25+,27-,28+,29-,30+,33?,34+,35-,36+,37-/m1/s1",XLTANAWLDBYGFU-ACDIZPBGSA-N,682.3465458
Ptaerochromenol,C15H14O5,CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)CO)O)C,"InChI=1S/C15H14O5/c1-15(2)4-3-9-12(20-15)6-11(18)13-10(17)5-8(7-16)19-14(9)13/h3-6,16,18H,7H2,1-2H3",QLDUXSCWWAQMTC-UHFFFAOYSA-N,274.0841235
Isopimaric acid,C20H30O2,C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C1)C=C,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",MXYATHGRPJZBNA-KRFUXDQASA-N,302.2245802
Physovenine,C14H18N2O3,C[C@@]12CCO[C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C,"InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12-,14-/m0/s1",LXTKNVLLWOLCOV-JSGCOSHPSA-N,262.1317424
"(E)-methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizine]-7'-yl)-3-methoxyacrylate",C22H28N2O4,CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/t14-,15-,19-,22+/m0/s1",DAXYUDFNWXHGBE-OFFWNCNGSA-N,384.2049074
Berberastine,C20H18NO5,COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4C(C3)O)OCO5)OC,"InChI=1S/C20H18NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h3-8,16,22H,9-10H2,1-2H3/q+1",VFCGRXCCUHLLIP-UHFFFAOYSA-N,352.1184977
Sauroxine,C17H26N2O,C[C@@H]1C[C@@H]2CC3=C(CCC(=O)N3)[C@@]4(C1)[C@H]2CCCN4C,"InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12-,13+,17-/m1/s1",HXJHQEWSHQXRPH-KOFHJDLBSA-N,274.2045135
Juliflorine,C40H75N3O2,C[C@H]1[C@H](CC[C@H](N1)CCCCCCCCCCC2C=C(CN3C2CCC3)CCCCCCCCCC[C@@H]4CC[C@@H]([C@@H](N4)C)O)O,"InChI=1S/C40H75N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30,32-33,35-42,44-45H,3-29,31H2,1-2H3/t32-,33-,35?,36+,37+,38?,39-,40-/m0/s1",JOTBJXJGDRSICD-TWELVPRFSA-N,629.5859286
Isoterchebin,C41H30O27,C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C7=C6[C@H]8C(=CC(=O)[C@](C8(O)O)(O7)O)C(=O)O1)O)O,"InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25-,30-,32+,33-,39+,41-/m1/s1",QFJVFTCFAZSXCY-KUZSCSPXSA-N,954.0974457
Thiadiazolidinone,C12H12BrN3OS,C1CCN2C(=O)SC(=NC3=CC=C(C=C3)Br)N2C1,"InChI=1S/C12H12BrN3OS/c13-9-3-5-10(6-4-9)14-11-15-7-1-2-8-16(15)12(17)18-11/h3-6H,1-2,7-8H2",UXHCYSLUHBOEGI-UHFFFAOYSA-N,324.98845
Lamiide,C17H26O12,C[C@@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,"InChI=1S/C17H26O12/c1-16(24)8(19)3-17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h5,7-12,14-15,18-22,24-25H,3-4H2,1-2H3/t7-,8+,9-,10+,11-,12-,14+,15+,16+,17+/m1/s1",VFYACENSDOLJGQ-SNONCDODSA-N,422.1424263
"(3R,4S)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane",C11H13ClN2,C1CC2C[C@@H]([C@H]1N2)C3=CN=C(C=C3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10+/m1/s1",NLPRAJRHRHZCQQ-XVBQNVSMSA-N,208.0767261
Sekisanin,C18H21NO5,CN1C[C@]2([C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O,"InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17+,18+/m1/s1",YLWAQARRNQVEHD-IEGACIPQSA-N,331.1419728
Sanguinine,C16H19NO3,CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)O)O,"InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1",OYSGWKOGUVOGFQ-RBOXIYTFSA-N,273.1364935
Lycoramine,C17H23NO3,CN1CC[C@@]23CC[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O,"InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1",GJRMHIXYLGOZSE-JDFRZJQESA-N,289.1677936
5-Aminopentanal,C5H11NO,C(CCN)CC=O,"InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h5H,1-4,6H2",SZBGXBOFCGNPEU-UHFFFAOYSA-N,101.084064
Iofetamine (123I),C12H18IN,CC(C)NC(C)CC1=CC=C(C=C1)[123I],"InChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3/i13-4",ISEHJSHTIVKELA-DCWJVSPSSA-N,299.04951
N-{(2r)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl}-3-Methyl-L-Valyl-N-(2-Aminoethyl)-L-Alaninamide,C19H37N5O5,C[C@@H](C(=O)NCCN)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO,"InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13+,15+/m0/s1",LMIQCBIEAHJAMZ-GZBFAFLISA-N,415.2794693
L-Methionine sulfone,C5H11NO4S,CS(=O)(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",UCUNFLYVYCGDHP-BYPYZUCNSA-N,181.040879
EVNLPsiAAEF,C41H64N8O14,C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O,"InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1",NIOCOJFPGCXNKL-ZKZXETMPSA-N,892.4541988
"(s,s)-(-)-n,n'-Di-5'-[5',6',7',8'-tetrahydro-2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride",C28H42N4O2,C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4,"InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1",CKFAWHBPSZAYLS-ZEQRLZLVSA-N,466.3307766
"(s,s)-(-)-n,n'-Di-5'-[5',6',7',8'-tetrahydro-2'(1'h)-quinolynyl]-1,12-diaminododecane dihydrochloride",C30H46N4O2,C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4,"InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1",VFFGYPZORQBRNM-UIOOFZCWSA-N,494.3620767
"(4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(4S,5S,7R)-8-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid",C44H69N7O15,C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)N)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O,"InChI=1S/C44H69N7O15/c1-22(2)17-29(47-42(63)31(21-36(57)58)49-41(62)30(18-23(3)4)48-39(60)27(45)13-15-34(53)54)33(52)19-25(7)38(59)51-37(24(5)6)43(64)46-28(14-16-35(55)56)40(61)50-32(44(65)66)20-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,52H,13-21,45H2,1-7H3,(H,46,64)(H,47,63)(H,48,60)(H,49,62)(H,50,61)(H,51,59)(H,53,54)(H,55,56)(H,57,58)(H,65,66)/t25-,27+,28+,29+,30+,31+,32+,33+,37+/m1/s1",CFIWWTUUSMMDDA-IQRKPKHNSA-N,935.4851645
"N-(4-Methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-YL)urea",C12H12N4O4S,COC1=CC=C(C=C1)CNC(=O)NC2=NC=C(S2)[N+](=O)[O-],"InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)",YAEMHJKFIIIULI-UHFFFAOYSA-N,308.0579261
Selagine,C15H18N2O,CC=C1[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/t10-,15+/m0/s1",ZRJBHWIHUMBLCN-ZUZCIYMTSA-N,242.1419132
5-(123I)Iodo-3-(2(S)-azetidinylmethoxy)pyridine,C9H11IN2O,C1CN[C@@H]1COC2=CC(=CN=C2)[123I],"InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1/i10-4",RKVRGRXOYDTUEY-GBVUCJOHSA-N,285.99273
[18F]FP-Tztp,C11H16FN3S2,CN1CCC=C(C1)C2=NSN=C2SCCC[18F],"InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3/i12-1",NQKPPQNBFQLLIZ-DWSYCVKZSA-N,272.079502
Unii-qfj3fuu4JH,C8H15NO2,CC(=O)OC1CCN(CC1)[11CH3],"InChI=1S/C8H15NO2/c1-7(10)11-8-3-5-9(2)6-4-8/h8H,3-6H2,1-2H3/i2-1",RWPYOAUYOSFJQV-JVVVGQRLSA-N,156.1217113
"2-Fluoro-3-(2S-azetidinylmethoxy)pyridine, F-18",C9H11FN2O,C1CN[C@@H]1COC2=C(N=CC=C2)[18F],"InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1/i10-1",GVOOYVOZPRROMP-GBSHIBCGSA-N,181.088075
"(2S,3R,4S,4aR,11bR)-2,3,4-trihydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one",C14H15NO6,C1[C@H]2[C@H]([C@@H]([C@@H]([C@H]1O)O)O)NC(=O)C3=CC4=C(C=C23)OCO4,"InChI=1S/C14H15NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h2-3,6,8,11-13,16-18H,1,4H2,(H,15,19)/t6-,8+,11-,12-,13+/m1/s1",KKAHUDOWKGIGAA-IAWGOJCDSA-N,293.0899372
Anolignan C,C18H20O3,C[C@@H]1[C@@H]([C@@H](O[C@@H]1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C,"InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17+,18-",PIBJADPEZQHMQS-KZBLUPIWSA-N,284.1412445
"3-(2,4-Dihydroxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one",C15H12O4,C1=CC=C(C(=C1)C(=O)C=CC2=C(C=C(C=C2)O)O)O,"InChI=1S/C15H12O4/c16-11-7-5-10(15(19)9-11)6-8-14(18)12-3-1-2-4-13(12)17/h1-9,16-17,19H",ZLEFYDUXMWKPSH-UHFFFAOYSA-N,256.0735589
Schizandrol;Schizandrol-A;Wuweizi alcohol-A;Wuweizichun-A,C24H32O7,CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@]1(C)O)OC)OC)OC)OC)OC)OC,"InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13?,24-/m0/s1",YEFOAORQXAOVJQ-PUCHIXIPSA-N,432.2148034
"beta-D-Glucopyranose, cyclic 4-7:6-5-((2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) 1,2,3-tris(3,4,5-trihydroxybenzoate)",C41H30O27,C1[C@@H]2[C@H](C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)[C@](C8(O)O)(O7)O)C(=O)O1)O)O,"InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25?,30-,32?,33?,39?,41-/m1/s1",QFJVFTCFAZSXCY-QTXLKUQUSA-N,954.0974457
Klvffae,C43H64N8O10,C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N,"InChI=1S/C43H64N8O10/c1-25(2)22-32(48-38(55)30(45)18-12-13-21-44)41(58)51-36(26(3)4)42(59)50-34(24-29-16-10-7-11-17-29)40(57)49-33(23-28-14-8-6-9-15-28)39(56)46-27(5)37(54)47-31(43(60)61)19-20-35(52)53/h6-11,14-17,25-27,30-34,36H,12-13,18-24,44-45H2,1-5H3,(H,46,56)(H,47,54)(H,48,55)(H,49,57)(H,50,59)(H,51,58)(H,52,53)(H,60,61)/t27-,30-,31-,32-,33-,34-,36-/m0/s1",GUFKZTLOCPEOGU-GYQIDMAWSA-N,852.4745403
Albanol B,C34H22O8,CC1=CC2=C3C(=C1)C4=C(C=C(C=C4OC3(OC5=C2C=CC(=C5)O)C6=C(C=C(C=C6)O)O)C7=CC8=C(O7)C=C(C=C8)O)O,"InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3",SMHBZVSVLIBGGO-UHFFFAOYSA-N,558.1314677
Methyllycaconitine,C37H50N2O10,CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3",XLTANAWLDBYGFU-UHFFFAOYSA-N,682.3465458
Methyl 3-(4-(benzyloxy)phenyl)propanoate,C17H18O3,COC(=O)CCC1=CC=C(C=C1)OCC2=CC=CC=C2,"InChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3",XAAMAAXKDLWBKO-UHFFFAOYSA-N,270.1255944
Methyl 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoate,C21H38O2,CCCCCC1CC1CC2CC2CCCCCCCC(=O)OC,"InChI=1S/C21H38O2/c1-3-4-8-11-17-14-19(17)16-20-15-18(20)12-9-6-5-7-10-13-21(22)23-2/h17-20H,3-16H2,1-2H3",WSVAMWHCPDAWFM-UHFFFAOYSA-N,322.2871805
7-Methyl-1-indanone,C10H10O,CC1=C2C(=CC=C1)CCC2=O,"InChI=1S/C10H10O/c1-7-3-2-4-8-5-6-9(11)10(7)8/h2-4H,5-6H2,1H3",DOXALDISRDZGNV-UHFFFAOYSA-N,146.0731649
Alkergot,C33H45N5O5,CCC(C)(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O,"InChI=1S/C33H45N5O5/c1-7-31(4,5)27-29(40)37-13-9-12-25(37)33(42)38(27)30(41)32(43-33,18(2)3)35-28(39)20-14-22-21-10-8-11-23-26(21)19(16-34-23)15-24(22)36(6)17-20/h8,10-11,16,18,20,22,24-25,27,34,42H,7,9,12-15,17H2,1-6H3,(H,35,39)",YLXBZBPHTNJZQE-UHFFFAOYSA-N,591.3420696
"2,4-Dihydroxy-3,6-dimethylbenzaldehyde",C9H10O3,CC1=CC(=C(C(=C1C=O)O)C)O,"InChI=1S/C9H10O3/c1-5-3-8(11)6(2)9(12)7(5)4-10/h3-4,11-12H,1-2H3",XOAAGSCMGLMPKG-UHFFFAOYSA-N,166.0629942
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde,C8H7FO3,COC1=C(C(=CC(=C1)C=O)F)O,"InChI=1S/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3",OOGOFUKAJDPHDJ-UHFFFAOYSA-N,170.0379222
Ipidacrine,C12H16N2,C1CCC2=C(C1)C(=C3CCCC3=N2)N,"InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)",YLUSMKAJIQOXPV-UHFFFAOYSA-N,188.1313485
Habranthine,C17H21NO4,CN1CC(C23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O)O,"InChI=1S/C17H21NO4/c1-18-8-10-3-4-12(21-2)16-15(10)17(13(20)9-18)6-5-11(19)7-14(17)22-16/h3-6,11,13-14,19-20H,7-9H2,1-2H3",YLFKDWVECRVHGB-UHFFFAOYSA-N,303.1470582
Calmidazolium,C31H23Cl6N2O,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl,"InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1",CTKNMSVWMRRCPW-UHFFFAOYSA-N,650.991204
N-[3-(4-morpholinyl)propyl]-2-oxo-1-benzopyran-3-carboxamide,C17H20N2O4,C1COCCN1CCCNC(=O)C2=CC3=CC=CC=C3OC2=O,"InChI=1S/C17H20N2O4/c20-16(18-6-3-7-19-8-10-22-11-9-19)14-12-13-4-1-2-5-15(13)23-17(14)21/h1-2,4-5,12H,3,6-11H2,(H,18,20)",ALAZKHHIMOUNCX-UHFFFAOYSA-N,316.1423071
Vesamicol,C17H25NO,C1CC[C@H]([C@@H](C1)N2CCC(CC2)C3=CC=CC=C3)O,"InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1",YSSBJODGIYRAMI-IAGOWNOFSA-N,259.1936144
8-Hydroxyquinoline-2-carboxaldehyde isonicotinoyl hydrazone,C16H12N4O2,C1=CC2=C(C(=C1)O)N=C(C=C2)C=NNC(=O)C3=CC=NC=C3,"InChI=1S/C16H12N4O2/c21-14-3-1-2-11-4-5-13(19-15(11)14)10-18-20-16(22)12-6-8-17-9-7-12/h1-10,21H,(H,20,22)",QQUJBYPCLIELSF-UHFFFAOYSA-N,292.0960256
"4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol",C8H7ClN4S,C1=CC(=CC=C1C2=NNC(=S)N2N)Cl,"InChI=1S/C8H7ClN4S/c9-6-3-1-5(2-4-6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)",OBKJAIJYUZQJFR-UHFFFAOYSA-N,226.0079951
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide,C12H13FN2O,CC(=O)NCCC1=CNC2=C1C=C(C=C2)F,"InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)",UDLASALUJLTGJV-UHFFFAOYSA-N,220.1011912
3-(3-aminophenyl)-2H-chromen-2-one,C15H11NO2,C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)N,"InChI=1S/C15H11NO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H,16H2",RHAQPESVLRVQJU-UHFFFAOYSA-N,237.0789786
(Diphenylamino)acetic acid,C14H13NO2,C1=CC=C(C=C1)N(CC(=O)O)C2=CC=CC=C2,"InChI=1S/C14H13NO2/c16-14(17)11-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)",KFLKTDAONDZLAN-UHFFFAOYSA-N,227.0946287
Methyl 2-amino-5-bromobenzoate,C8H8BrNO2,COC(=O)C1=C(C=CC(=C1)Br)N,"InChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3",QVNYNHCNNGKULA-UHFFFAOYSA-N,228.97384
Ethyl ferulate,C12H14O4,CCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",ATJVZXXHKSYELS-FNORWQNLSA-N,222.0892089
5-Bromo-2-nitropyridine,C5H3BrN2O2,C1=CC(=NC=C1Br)[N+](=O)[O-],InChI=1S/C5H3BrN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H,ATXXLNCPVSUCNK-UHFFFAOYSA-N,201.93779
2-(4-Phenylpiperidino)cyclohexanol,C17H25NO,C1CC[C@@H]([C@H](C1)N2CCC(CC2)C3=CC=CC=C3)O,"InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m0/s1",YSSBJODGIYRAMI-IRXDYDNUSA-N,259.1936144
"2,6-Dichloropyridine-3,5-dicarbonitrile",C7HCl2N3,C1=C(C(=NC(=C1C#N)Cl)Cl)C#N,InChI=1S/C7HCl2N3/c8-6-4(2-10)1-5(3-11)7(9)12-6/h1H,JWVLIQKMDXWUFT-UHFFFAOYSA-N,196.9547524
"(1R,2R,4S)-2-(6-Chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane",C11H13ClN2,C1C[C@@H]2[C@H](C[C@H]1N2)C3=CN=C(C=C3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1",NLPRAJRHRHZCQQ-IVZWLZJFSA-N,208.0767261
Huperzine A,C15H18N2O,C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1",ZRJBHWIHUMBLCN-YQEJDHNASA-N,242.1419132
"2,6-Dichloronicotinic acid",C6H3Cl2NO2,C1=CC(=NC(=C1C(=O)O)Cl)Cl,"InChI=1S/C6H3Cl2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)",AJPKQSSFYHPYMH-UHFFFAOYSA-N,190.9540837
(-)-Selagine,C15H18N2O,C/C=C\1/[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3-/t10-,15+/m0/s1",ZRJBHWIHUMBLCN-SEQYCRGISA-N,242.1419132
1-(1-Benzylpiperidin-4-yl)ethanone,C14H19NO,CC(=O)C1CCN(CC1)CC2=CC=CC=C2,"InChI=1S/C14H19NO/c1-12(16)14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3",ZTTPDEBBWJUCQQ-UHFFFAOYSA-N,217.1466642
(S)-donepezil,C24H29NO3,COC1=C(C=C2C(=C1)C[C@@H](C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m0/s1",ADEBPBSSDYVVLD-FQEVSTJZSA-N,379.2147438
"2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide",C22H19ClN2O6S,COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4,"InChI=1S/C22H19ClN2O6S/c1-29-19-9-7-15(23)11-18(19)25(32(27,28)17-5-3-2-4-6-17)13-22(26)24-16-8-10-20-21(12-16)31-14-30-20/h2-12H,13-14H2,1H3,(H,24,26)",ZGYSGIYKAVUVOR-UHFFFAOYSA-N,474.0652352
"N,N'-Bis(8-quinolyl)-2,6-pyridinedicarboxamide",C25H17N5O2,C1=CC2=C(C(=C1)NC(=O)C3=NC(=CC=C3)C(=O)NC4=CC=CC5=C4N=CC=C5)N=CC=C2,"InChI=1S/C25H17N5O2/c31-24(29-18-10-1-6-16-8-4-14-26-22(16)18)20-12-3-13-21(28-20)25(32)30-19-11-2-7-17-9-5-15-27-23(17)19/h1-15H,(H,29,31)(H,30,32)",GYWLGWZRDKEPPD-UHFFFAOYSA-N,419.1382248
"1-Benzyl-4-[(5,6-dimethoxy-1-indanon-2-YL)methyl]piperidine",C24H29NO3,COC1=C(C=C2C(=C1)C[C@H](C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1",ADEBPBSSDYVVLD-HXUWFJFHSA-N,379.2147438
6-bromo-N-[2-(morpholin-4-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide,C16H17BrN2O4,C1COCCN1CCNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O,"InChI=1S/C16H17BrN2O4/c17-12-1-2-14-11(9-12)10-13(16(21)23-14)15(20)18-3-4-19-5-7-22-8-6-19/h1-2,9-10H,3-8H2,(H,18,20)",ZTUWDDZZOUATJV-UHFFFAOYSA-N,380.03717
"methyl (Z)-2-[(3S,6'S,7'R,8'aR)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate",C22H28N2O4,CC[C@@H]1CN2CC[C@@]3([C@H]2C[C@H]1/C(=C/OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13-/t14-,15-,19-,22+/m1/s1",DAXYUDFNWXHGBE-UKMPBLTPSA-N,384.2049074
(-)-Nopol,C11H18O,CC1([C@H]2CC=C([C@@H]1C2)CCO)C,"InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3/t9-,10-/m0/s1",ROKSAUSPJGWCSM-UWVGGRQHSA-N,166.1357652
"1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",C18H15NO4,COC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC=CC=C32)C(=O)O,"InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)",BZBBTGCKPRSPGF-UHFFFAOYSA-N,309.100108
Methyl 4-piperidineacetate,C8H15NO2,COC(=O)CC1CCNCC1,"InChI=1S/C8H15NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3",VOUIHMBRJVKANW-UHFFFAOYSA-N,157.1102787
(+/-)-Huperzine A,C15H18N2O,CC=C1[C@H]2CC3=C([C@@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/t10-,15+/m1/s1",ZRJBHWIHUMBLCN-BMIGLBTASA-N,242.1419132
6-Chloroacetyl-2-benzoxazolinone,C9H6ClNO3,C1=CC2=C(C=C1C(=O)CCl)OC(=O)N2,"InChI=1S/C9H6ClNO3/c10-4-7(12)5-1-2-6-8(3-5)14-9(13)11-6/h1-3H,4H2,(H,11,13)",KOOWFDRPKXUCRF-UHFFFAOYSA-N,211.0036207
"3-(3,4-Dimethoxy-phenyl)-N-[2-(1H-indol-3-yl)-ethyl]-acrylamide",C21H22N2O3,COC1=C(C=C(C=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32)OC,"InChI=1S/C21H22N2O3/c1-25-19-9-7-15(13-20(19)26-2)8-10-21(24)22-12-11-16-14-23-18-6-4-3-5-17(16)18/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,24)/b10-8+",LUUDTQOEAYLJDX-CSKARUKUSA-N,350.1630426
4-Methylchromene-2-thione,C10H8OS,CC1=CC(=S)OC2=CC=CC=C12,"InChI=1S/C10H8OS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3",XOUSCMHNRGQPDS-UHFFFAOYSA-N,176.0295861
Auten-67,C23H14N4O6S,C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C=NC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-],"InChI=1S/C23H14N4O6S/c28-22-16-5-1-2-6-17(16)23(29)21(26-13-24-18-7-3-4-8-19(18)26)20(22)25-34(32,33)15-11-9-14(10-12-15)27(30)31/h1-13,25H",FSAINSJUQREKEK-UHFFFAOYSA-N,474.0634054
"N-(1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl)maleimide",C13H19N2O3,CC1(CC(CC(N1[O])(C)C)N2C(=O)C=CC2=O)C,"InChI=1S/C13H19N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h5-6,9H,7-8H2,1-4H3",CMNDHIFMYRPBGH-UHFFFAOYSA-N,251.1395675
O-acetylcarnitine,C9H18NO4,CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C,"InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1/t8-/m1/s1",RDHQFKQIGNGIED-MRVPVSSYSA-O,204.1235831
"(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone",C13H16N2O3,C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2,"InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2",FLUPDJNTYCSBJZ-UHFFFAOYSA-N,248.1160924
1-(4-Bromophenyl)piperazine,C10H13BrN2,C1CN(CCN1)C2=CC=C(C=C2)Br,"InChI=1S/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2",PJHPFAFEJNBIDC-UHFFFAOYSA-N,240.02621
3-(Cyclopentyloxy)-4-methoxybenzaldehyde,C13H16O3,COC1=C(C=C(C=C1)C=O)OC2CCCC2,"InChI=1S/C13H16O3/c1-15-12-7-6-10(9-14)8-13(12)16-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3",FZFWPURYSWKIRT-UHFFFAOYSA-N,220.1099444
2-(4-Isobutylphenyl)propanohydrazide,C13H20N2O,CC(C)CC1=CC=C(C=C1)C(C)C(=O)NN,"InChI=1S/C13H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(16)15-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)",JVDPFQDYGHWBBX-UHFFFAOYSA-N,220.1575633
"2,2-Difluorobenzo[d][1,3]dioxol-5-amine",C7H5F2NO2,C1=CC2=C(C=C1N)OC(O2)(F)F,"InChI=1S/C7H5F2NO2/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3H,10H2",CVYQRDKVWVBOFP-UHFFFAOYSA-N,173.0288347
3-Cyanopropyltrimethoxysilane,C7H15NO3Si,CO[Si](CCCC#N)(OC)OC,"InChI=1S/C7H15NO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-5,7H2,1-3H3",FPJPAIQDDFIEKJ-UHFFFAOYSA-N,189.0821199
Pyrimidine-5-carbaldehyde,C5H4N2O,C1=C(C=NC=N1)C=O,InChI=1S/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H,FREJAOSUHFGDBW-UHFFFAOYSA-N,108.0323628
3-Bromo-4-nitropyridine,C5H3BrN2O2,C1=CN=CC(=C1[N+](=O)[O-])Br,InChI=1S/C5H3BrN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H,CJEWCWSWUUFORD-UHFFFAOYSA-N,201.93779
6-Carboxyfluorescein N-succinimidyl ester,C25H15NO9,C1CC(=O)N(C1=O)OC(=O)C2=CC3=C(C=C2)C(=O)OC34C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O,"InChI=1S/C25H15NO9/c27-13-2-5-16-19(10-13)33-20-11-14(28)3-6-17(20)25(16)18-9-12(1-4-15(18)24(32)34-25)23(31)35-26-21(29)7-8-22(26)30/h1-6,9-11,27-28H,7-8H2",VDABVNMGKGUPEY-UHFFFAOYSA-N,473.0746811
"N,N'-Tetramethyl-rosamine",C23H23N2O,CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,343.1810384
2-(3-Methoxyphenyl)acetohydrazide,C9H12N2O2,COC1=CC=CC(=C1)CC(=O)NN,"InChI=1S/C9H12N2O2/c1-13-8-4-2-3-7(5-8)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)",XEALVGVRTCEVES-UHFFFAOYSA-N,180.0898776
4-(Trifluoromethyl)-dl-phenylalanine,C10H10F3NO2,C1=CC(=CC=C1CC(C(=O)O)N)C(F)(F)F,"InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)",CRFFPDBJLGAGQL-UHFFFAOYSA-N,233.0663631
"2-Amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile",C13H7ClN4,C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)Cl)N)C#N,"InChI=1S/C13H7ClN4/c14-12-9(6-15)11(8-4-2-1-3-5-8)10(7-16)13(17)18-12/h1-5H,(H2,17,18)",MNSRKIHEJKWAMT-UHFFFAOYSA-N,254.0359239
(N-methyl-(11c))2-(4'-methylaminophenyl)-6-hydroxybenzothiazole,C14H12N2OS,[11CH3]NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O,"InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3/i1-1",ZQAQXZBSGZUUNL-BJUDXGSMSA-N,255.0784668
"4-Phenyl-3,4-dihydro-1H-benzo[h]quinolin-2-one",C19H15NO,C1C(C2=C(C3=CC=CC=C3C=C2)NC1=O)C4=CC=CC=C4,"InChI=1S/C19H15NO/c21-18-12-17(13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)19(16)20-18/h1-11,17H,12H2,(H,20,21)",OGSPQWXKUXOADY-UHFFFAOYSA-N,273.1153641
"N-(3,5-Dimethyladamantan-1-yl)formamide",C13H21NO,CC12CC3CC(C1)(CC(C3)(C2)NC=O)C,"InChI=1S/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)",NYQWYYMEIBHRSB-UHFFFAOYSA-N,207.1623143
"(3-bromophenyl)[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone",C17H11BrClF3N2O2,C1C(=NN(C1(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC(=CC=C3)Br)C(F)(F)F,"InChI=1S/C17H11BrClF3N2O2/c18-12-3-1-2-10(8-12)15(25)24-16(26,9-14(23-24)17(20,21)22)11-4-6-13(19)7-5-11/h1-8,26H,9H2",OVZQQHTYDUPHLY-UHFFFAOYSA-N,445.96445
Mitrinermine,C22H28N2O4,CCC1CN2CCC3(C2CC1/C(=C/OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13-",DAXYUDFNWXHGBE-SSZFMOIBSA-N,384.2049074
"8,8'-Bieckol",C36H22O18,C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(O3)C=C(C(=C4O)C5=C(C6=C(C=C5O)OC7=C(O6)C(=C(C=C7O)O)OC8=CC(=CC(=C8)O)O)O)O)O)O)O,"InChI=1S/C36H22O18/c37-11-1-12(38)4-15(3-11)49-29-19(43)7-21(45)31-35(29)53-33-23(51-31)9-17(41)25(27(33)47)26-18(42)10-24-34(28(26)48)54-36-30(20(44)8-22(46)32(36)52-24)50-16-5-13(39)2-14(40)6-16/h1-10,37-48H",FHYNTHBAMAEFJB-UHFFFAOYSA-N,742.0806139
5-[(3-Hydroxyphenyl)methyl]oxolan-2-one,C11H12O3,C1CC(=O)OC1CC2=CC(=CC=C2)O,"InChI=1S/C11H12O3/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)14-10/h1-3,6,10,12H,4-5,7H2",VYWFHBSBNKNWSB-UHFFFAOYSA-N,192.0786442
Rhyncophylline,C22H28N2O4,CC[C@H]1CN2CCC3(C2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19?,22?/m0/s1",DAXYUDFNWXHGBE-QCJVZUPCSA-N,384.2049074
Isorhynchophylline,C22H28N2O4,CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1",DAXYUDFNWXHGBE-VKCGGMIFSA-N,384.2049074
Isocorynoxeine,C22H26N2O4,CO/C=C(\[C@H]1C[C@H]2[C@]3(CCN2C[C@@H]1C=C)C4=CC=CC=C4NC3=O)/C(=O)OC,"InChI=1S/C22H26N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1",MUVGVMUWMAGNSY-VKCGGMIFSA-N,382.1892573
"(2R,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid",C10H13NO3,C1=CC=C(C=C1)C[C@@H]([C@H](C(=O)O)O)N,"InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m0/s1",LDSJMFGYNFIFRK-DTWKUNHWSA-N,195.0895433
(+)-Epibatidine,C11H13ClN2,C1C[C@H]2[C@@H](C[C@@H]1N2)C3=CN=C(C=C3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1",NLPRAJRHRHZCQQ-UTLUCORTSA-N,208.0767261
"Carbamic acid, (8-(4-morpholinyl)octyl)-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-cis)-",C26H42N4O3,C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NCCCCCCCCN4CCOCC4)C)C,"InChI=1S/C26H42N4O3/c1-26-12-15-28(2)24(26)29(3)23-11-10-21(20-22(23)26)33-25(31)27-13-8-6-4-5-7-9-14-30-16-18-32-19-17-30/h10-11,20,24H,4-9,12-19H2,1-3H3,(H,27,31)/t24-,26+/m1/s1",PLDHPJSOABLSHM-RSXGOPAZSA-N,458.3256912
N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine,C19H26N2O2,C1CCN(C1)C(=O)[C@@H]2CCCN2C(=O)CCCC3=CC=CC=C3,"InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1",HDRSLHFTJYMQIL-KRWDZBQOSA-N,314.1994281
N-(4-pyridinyl)-1H-indol-1-amine,C13H11N3,C1=CC=C2C(=C1)C=CN2NC3=CC=NC=C3,"InChI=1S/C13H11N3/c1-2-4-13-11(3-1)7-10-16(13)15-12-5-8-14-9-6-12/h1-10H,(H,14,15)",YFXZWVUZIPQSKX-UHFFFAOYSA-N,209.0952974
Cyclanoline,C20H24NO4,C[N@@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=C(C2)C(=C(C=C4)OC)O)O)OC,"InChI=1S/C20H23NO4/c1-21-7-6-13-9-19(25-3)17(22)10-14(13)16(21)8-12-4-5-18(24-2)20(23)15(12)11-21/h4-5,9-10,16H,6-8,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1",LKLWVKCEYSPQHL-KKSFZXQISA-O,342.1705333
Geneseroline,C13H18N2O2,C[C@@]12CCN(O[C@@H]1N(C3=C2C=C(C=C3)O)C)C,"InChI=1S/C13H18N2O2/c1-13-6-7-14(2)17-12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13-/m0/s1",OPAXVHIAQIXNAM-STQMWFEESA-N,234.1368278
Aposcopolamine,C17H19NO3,CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(=C)C4=CC=CC=C4,"InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14+,15-,16+",JJNVDCBKBUSUII-LHIUVBILSA-N,285.1364935
Undulatine,C18H21NO5,CO[C@@H]1C[C@@H]2[C@@]3(CCN2CC4=C(C5=C(C=C43)OCO5)OC)[C@@H]6[C@H]1O6,"InChI=1S/C18H21NO5/c1-20-11-6-13-18(17-16(11)24-17)3-4-19(13)7-9-10(18)5-12-15(14(9)21-2)23-8-22-12/h5,11,13,16-17H,3-4,6-8H2,1-2H3/t11-,13-,16+,17+,18+/m1/s1",XHXKHSUJQVCHTA-NWVCDLTISA-N,331.1419728
"20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol",C23H37NO5,CCN1C[C@]2(CC[C@@H]([C@@]34C2CC(C31)[C@]5(C[C@@H]([C@H]6CC4C5C6O)OC)O)O)COC,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14?,15+,16?,17+,18?,19?,20?,21-,22+,23-/m1/s1",RBSZCNOWHDHRFZ-CFIIAAHPSA-N,407.2671733
4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide,C18H22IN3O3S,CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)I)OC,"InChI=1S/C18H22IN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3",BDHMSYNBSBZCAF-UHFFFAOYSA-N,487.04266
"(2-hydroxy-3-sulfopropyl)-dimethyl-[3-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]propyl]azanium",C32H59N2O8S,CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C,"InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1",GUQQBLRVXOUDTN-UHFFFAOYSA-O,631.399213
Methyl 6-O-(a-D-mannopyranosyl)-a-D-mannopyranoside,C13H24O11,COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O,"InChI=1S/C13H24O11/c1-21-12-10(19)9(18)7(16)5(24-12)3-22-13-11(20)8(17)6(15)4(2-14)23-13/h4-20H,2-3H2,1H3",ZQPVHVKWCGZNDW-UHFFFAOYSA-N,356.1318616
3-amino-10H-acridine-9-thione,C13H10N2S,C1=CC=C2C(=C1)C(=S)C3=C(N2)C=C(C=C3)N,"InChI=1S/C13H10N2S/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13(10)16/h1-7H,14H2,(H,15,16)",LHMSGVQQFOFVAP-UHFFFAOYSA-N,226.0564695
Phenyl N-(4-iodophenyl)carbamate,C13H10INO2,C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)I,"InChI=1S/C13H10INO2/c14-10-6-8-11(9-7-10)15-13(16)17-12-4-2-1-3-5-12/h1-9H,(H,15,16)",MWVJDZJEEOVQID-UHFFFAOYSA-N,338.97563
"7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine",C17H19N3O,CCCCC1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)OC,"InChI=1S/C17H19N3O/c1-3-4-5-14-15(12-6-8-13(21-2)9-7-12)20-17-16(14)18-10-11-19-17/h6-11H,3-5H2,1-2H3,(H,19,20)",WVMANZPBOBRWCB-UHFFFAOYSA-N,281.1528122
"N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide",C14H22N6O3,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCCN(C)C,"InChI=1S/C14H22N6O3/c1-17(2)7-5-6-15-10(21)8-20-9-16-12-11(20)13(22)19(4)14(23)18(12)3/h9H,5-8H2,1-4H3,(H,15,21)",IJQVBLGOXGPMMZ-UHFFFAOYSA-N,322.1753386
1-Butanesulfonic acid,C4H10O3S,CCCCS(=O)(=O)O,"InChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)",QDHFHIQKOVNCNC-UHFFFAOYSA-N,138.0350654
4-(Benzyloxy)benzoyl chloride,C14H11ClO2,C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)Cl,"InChI=1S/C14H11ClO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2",ICEKEZSKMGHZNT-UHFFFAOYSA-N,246.0447573
"3-(2,3-dihydro-1H-indol-3-yl)propanoic Acid",C11H13NO2,C1C(C2=CC=CC=C2N1)CCC(=O)O,"InChI=1S/C11H13NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2,(H,13,14)",RTQBHGZHDQGEOT-UHFFFAOYSA-N,191.0946287
"2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-isoindole-1,3(2H)-dione",C18H17NO4,COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2=O)OC,"InChI=1S/C18H17NO4/c1-22-15-8-7-12(11-16(15)23-2)9-10-19-17(20)13-5-3-4-6-14(13)18(19)21/h3-8,11H,9-10H2,1-2H3",GPDCNLWLOFAXDG-UHFFFAOYSA-N,311.115758
"N-(3,5-dimethyladamantan-1-yl)-N'-(3-chlorophenyl) urea",C19H25ClN2O,CC12CC3CC(C1)(CC(C3)(C2)NC(=O)NC4=CC(=CC=C4)Cl)C,"InChI=1S/C19H25ClN2O/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)22-16(23)21-15-5-3-4-14(20)6-15/h3-6,13H,7-12H2,1-2H3,(H2,21,22,23)",BUODOHUYRDRAHQ-UHFFFAOYSA-N,332.1655411
CID 4278576,C27H32O15,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O,"InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3",OBKKEZLIABHSGY-UHFFFAOYSA-N,596.1741203
Ser-Pro,C8H14N2O4,C1C[C@H](N(C1)C(=O)[C@H](CO)N)C(=O)O,"InChI=1S/C8H14N2O4/c9-5(4-11)7(12)10-3-1-2-6(10)8(13)14/h5-6,11H,1-4,9H2,(H,13,14)/t5-,6-/m0/s1",WBAXJMCUFIXCNI-WDSKDSINSA-N,202.0953569
"(11E)-5alpha-Amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-5,9beta-methanocycloocta[b]pyridin-2(1H)-one",C15H18N2O,C/C=C/1\[C@H]2CC3=C([C@@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m1/s1",ZRJBHWIHUMBLCN-JRYCNTDSSA-N,242.1419132
"2',4'-Difluoro-4-hydroxy-5-iodo-1,1'-biphenyl-3-carboxylic acid",C13H7F2IO3,C1=CC(=C(C=C1F)F)C2=CC(=C(C(=C2)I)O)C(=O)O,"InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19)",SSYOLLIRAAWGDJ-UHFFFAOYSA-N,375.9408
Kurasoin A,C16H14O3,C1=CC=C(C=C1)CC(=O)C(=O)CC2=CC=C(C=C2)O,"InChI=1S/C16H14O3/c17-14-8-6-13(7-9-14)11-16(19)15(18)10-12-4-2-1-3-5-12/h1-9,17H,10-11H2",PJJNUMKZYDTVRG-UHFFFAOYSA-N,254.0942943
ginsenoside R1,C47H80O18,CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C,"InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3",LLPWNQMSUYAGQI-UHFFFAOYSA-N,932.5344657
CID 4586441,C23H37NO5,CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)O)COC,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3",RBSZCNOWHDHRFZ-UHFFFAOYSA-N,407.2671733
Sternbin,C16H14O6,COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)O)O,"InChI=1S/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3",DSAJORLEPQBKDA-UHFFFAOYSA-N,302.0790382
"5-amino-5,6,7,8-tetrahydroquinolin-2(1H)-one",C9H12N2O,C1CC(C2=C(C1)NC(=O)C=C2)N,"InChI=1S/C9H12N2O/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h4-5,7H,1-3,10H2,(H,11,12)",CEXVAVXEVFFVEE-UHFFFAOYSA-N,164.094963
Orthoformic acid,CH4O3,C(O)(O)O,InChI=1S/CH4O3/c2-1(3)4/h1-4H,RLAHWVDQYNDAGG-UHFFFAOYSA-N,64.01604399
Cochalic acid,C30H48O4,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O,"InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,27-,28+,29+,30+/m0/s1",YKOPWPOFWMYZJZ-FMMUPTMQSA-N,472.35526
Geissospermine,C40H48N4O3,CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N([C@@H](OC5)[C@@H]([C@H]\6C[C@H]7C8=C(CCN7C/C6=C/C)C9=CC=CC=C9N8)C(=O)OC)C1=CC=CC=C41,"InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3/b24-5-/t23-,27+,28+,29+,33+,34+,35-,37+,38+,40-/m1/s1",ISDWYSGTYITCHG-OCNKQYNFSA-N,632.3726414
Rhynchophylline,C22H28N2O4,CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1",DAXYUDFNWXHGBE-KAXDATADSA-N,384.2049074
Datiscetin,C15H10O6,C1=CC=C(C(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,"InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H",WCNLFPKXBGWWDS-UHFFFAOYSA-N,286.047738
"3,7,4'-Trihydroxyflavone",C15H10O5,C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H",OBWHQJYOOCRPST-UHFFFAOYSA-N,270.0528234
beta-Asarone,C12H16O3,C/C=C\C1=CC(=C(C=C1OC)OC)OC,"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-",RKFAZBXYICVSKP-WAYWQWQTSA-N,208.1099444
"N-[(1S,2R)-1-Benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide",C31H38N4O5S,C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNC4CC4)O,"InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1",VPNIQGRFZCTBEZ-SPTGULJVSA-N,578.2562915
"3-Chloro-9-ethyl-6,7,8,9,10,11-hexahydro-7,11-methanocycloocta[B]quinolin-12-amine",C18H19ClN2,CCC1=C[C@H]2C[C@@H](C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N,"InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11-,12+/m0/s1",QTPHSDHUHXUYFE-NWDGAFQWSA-N,298.1236763
[3H]methyllycaconitine,C37H50N2O10,CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1",XLTANAWLDBYGFU-VTLKBQQISA-N,682.3465458
Aftin-4,C20H28N6O,CC[C@H](CO)NC1=NC2=C(C(=N1)N(C)CC3=CC=CC=C3)N=CN2C(C)C,"InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1",YPYWONAECUVKHY-MRXNPFEDSA-N,368.2324595
"[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate",C37H50N2O10,CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33?,34-,35+,36-,37+/m0/s1",XLTANAWLDBYGFU-UNYSBPQLSA-N,682.3465458
Rosmarinate,C18H16O8,C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+",DOUMFZQKYFQNTF-ZZXKWVIFSA-N,360.0845175
Crocetin dimethyl ester,C22H28O4,C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)OC)/C)/C)/C=C/C=C(/C(=O)OC)\C,"InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11+,18-12+,19-15+,20-16+",OXNHRKGZZFWUQZ-QORFUXSJSA-N,356.1987594
3-Hydroxytanshinone,C19H18O4,CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CC[C@@H](C4(C)C)O,"InChI=1S/C19H18O4/c1-9-8-23-18-11-4-6-12-10(5-7-13(20)19(12,2)3)15(11)17(22)16(21)14(9)18/h4,6,8,13,20H,5,7H2,1-3H3/t13-/m0/s1",PTDUBPDLRWKSBQ-ZDUSSCGKSA-N,310.1205091
"methyl (Z)-2-[(6'R,7'S)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate",C22H28N2O4,CC[C@H]1CN2CCC3(C2C[C@@H]1/C(=C/OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13-/t14-,15-,19?,22?/m0/s1",DAXYUDFNWXHGBE-MFQWOJHHSA-N,384.2049074
cis-Pterostilbene,C16H16O3,COC1=CC(=CC(=C1)/C=C\C2=CC=C(C=C2)O)OC,"InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3-",VLEUZFDZJKSGMX-ARJAWSKDSA-N,256.1099444
Shyobunone,C15H24O,CC(C)[C@@H]1CC[C@@]([C@@H](C1=O)C(=C)C)(C)C=C,"InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3/t12-,13+,15+/m0/s1",GWHRSRIPLDHJHR-GZBFAFLISA-N,220.1827154
Sekisanolin,C18H21NO5,CN1C[C@@]2([C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O,"InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17+,18-/m1/s1",YLWAQARRNQVEHD-PBZHRCKQSA-N,331.1419728
Bavachromene,C20H18O4,CC1(C=CC2=CC(=C(C=C2O1)O)C(=O)/C=C/C3=CC=C(C=C3)O)C,"InChI=1S/C20H18O4/c1-20(2)10-9-14-11-16(18(23)12-19(14)24-20)17(22)8-5-13-3-6-15(21)7-4-13/h3-12,21,23H,1-2H3/b8-5+",LYPURLGLYLCBSU-VMPITWQZSA-N,322.1205091
"(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C20H22O9,C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,"InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1",JAYVHSBYKLLDJC-DSNJPTTOSA-N,406.1263823
Toralactone,C15H12O5,CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O)OC,"InChI=1S/C15H12O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h3-6,16-17H,1-2H3",WEHXAEGTVPWKDY-UHFFFAOYSA-N,272.0684735
1-(4-Chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one,C17H16ClNO,CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C17H16ClNO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-12H,1-2H3/b12-5+",WUXTYVHXWDGPIQ-LFYBBSHMSA-N,285.0920418
"(Z)-4-Octen-1-yl, acetate",C10H18O2,CCC/C=C\CCCOC(=O)C,"InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h5-6H,3-4,7-9H2,1-2H3/b6-5-",ZYTLHCDDGYHKDO-WAYWQWQTSA-N,170.1306798
4-Amino-3-penten-2-one,C5H9NO,C/C(=C/C(=O)C)/N,"InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3-",OSLAYKKXCYSJSF-ARJAWSKDSA-N,99.06841391
Gomisin B,C28H34O9,C/C=C(/C)\C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC,"InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-",BKGUPIVDQHHVMV-ZROIWOOFSA-N,514.2202827
(E)-4-aminopent-3-en-2-one,C5H9NO,C/C(=C\C(=O)C)/N,"InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3+",OSLAYKKXCYSJSF-ONEGZZNKSA-N,99.06841391
Voacalotine,C22H26N2O3,C/C=C/1\CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC,"InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4+",IWEYXWIPVZEVPT-YIXHJXPBSA-N,366.1943427
4-Chlorochalcone,C15H11ClO,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl,InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+,ABGIIXRNMHUKII-DHZHZOJOSA-N,242.0498427
N-[(Z)-benzylideneamino]-2-cyanoacetamide,C10H9N3O,C1=CC=C(C=C1)/C=N\NC(=O)CC#N,"InChI=1S/C10H9N3O/c11-7-6-10(14)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)/b12-8-",INMVSZQSMSATPX-WQLSENKSSA-N,187.0745619
"(3E,5E)-3,5-dibenzylidenepiperidin-4-one",C19H17NO,C\1NC/C(=C\C2=CC=CC=C2)/C(=O)/C1=C/C3=CC=CC=C3,"InChI=1S/C19H17NO/c21-19-17(11-15-7-3-1-4-8-15)13-20-14-18(19)12-16-9-5-2-6-10-16/h1-12,20H,13-14H2/b17-11+,18-12+",KPVTZSGWKGUMLH-JYFOCSDGSA-N,275.1310142
Narciprimine,C14H9NO5,C1OC2=C(O1)C(=C3C(=C2)C4=C(C(=CC=C4)O)NC3=O)O,"InChI=1S/C14H9NO5/c16-8-3-1-2-6-7-4-9-13(20-5-19-9)12(17)10(7)14(18)15-11(6)8/h1-4,16-17H,5H2,(H,15,18)",PEOASDPEDCJOME-UHFFFAOYSA-N,271.0480724
8-Acetyl-7-hydroxycoumarin,C11H8O4,CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O,"InChI=1S/C11H8O4/c1-6(12)10-8(13)4-2-7-3-5-9(14)15-11(7)10/h2-5,13H,1H3",XWYMACPLPPQCHC-UHFFFAOYSA-N,204.0422587
"methyl (1R,12R,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate",C22H26N2O3,C/C=C/1\CN2[C@@H]3C[C@@H]1C([C@H]2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC,"InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4+/t16-,18+,19+,22?/m0/s1",IWEYXWIPVZEVPT-PFERTEKCSA-N,366.1943427
CID 5459119,C37H50N2O10,CCN1C[C@@]2(CCC(C34[C@@H]2[C@@H]([C@]([C@@H]31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21?,22-,24+,25?,27-,28?,29-,30+,33-,34+,35-,36?,37+/m1/s1",XLTANAWLDBYGFU-YPHJBQGESA-N,682.3465458
meso-Hexamethylpropyleneamine oxime,C13H28N4O2,C[C@@H](NCC(CN[C@@H](/C(=N\O)/C)C)(C)C)/C(=N\O)/C,"InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11-,17-12-/t9-,10-/m1/s1",BPNZYADGDZPRTK-PYMRXLQTSA-N,272.2212262
Lycodine,C16H22N2,C[C@@H]1C[C@H]2CC3=C(C=CC=N3)[C@@]4(C1)[C@@H]2CCCN4,"InChI=1S/C16H22N2/c1-11-8-12-9-15-14(5-2-6-17-15)16(10-11)13(12)4-3-7-18-16/h2,5-6,11-13,18H,3-4,7-10H2,1H3/t11-,12+,13-,16-/m1/s1",JJPMUZRSJKMFRK-OQMKEHIESA-N,242.1782987
Lycopodine,C16H25NO,C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4,"InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12+,13-,14-,16-/m1/s1",BCZFSDNVXODRAJ-JTTNIQEDSA-N,247.1936144
"(1R,9S,10S,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one",C17H26N2O,C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]4(C1)[C@H]2CCCN4C,"InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12+,13+,17-/m1/s1",HXJHQEWSHQXRPH-ZOPJHEKZSA-N,274.2045135
Mulberrofuran D,C29H34O4,CC(=CCC/C(=C/CC1=C(C=CC2=C1OC(=C2)C3=C(C(=CC(=C3)O)O)CC=C(C)C)O)/C)C,"InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-24-26(31)14-11-21-15-28(33-29(21)24)25-16-22(30)17-27(32)23(25)12-9-19(3)4/h7,9-11,14-17,30-32H,6,8,12-13H2,1-5H3/b20-10+",WCJPAQJEARHLGS-KEBDBYFISA-N,446.2457096
"1,5-Bis(2-hydroxyphenyl)penta-1,4-dien-3-one",C17H14O3,C1=CC=C(C(=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2O)O,"InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+",YNVAHBUBGBLIEY-WGDLNXRISA-N,266.0942943
"l-685,458",C39H52N4O6,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O,"InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1",MURCDOXDAHPNRQ-ZJKZPDEISA-N,672.3886854
Glycyl-phenylalanyl-alanyl-aspartic acid,C18H24N4O7,C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CN,"InChI=1S/C18H24N4O7/c1-10(16(26)22-13(18(28)29)8-15(24)25)20-17(27)12(21-14(23)9-19)7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,19H2,1H3,(H,20,27)(H,21,23)(H,22,26)(H,24,25)(H,28,29)/t10-,12+,13-/m0/s1",ZCPBEAHAVUJKAE-UHTWSYAYSA-N,408.1644991
1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-phenyl)-prop-2-ynyl]-oxime,C16H18N2O2,COC1=CC=CC(=C1)C#CCO/N=C/2\CN3CCC2C3,"InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+",FXBXWJPMXQHOGD-WUKNDPDISA-N,270.1368278
Somatostatin 28-(1-12),C49H81N17O19S,C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)N,"InChI=1S/C49H81N17O19S/c1-22(56-39(75)25(50)20-67)38(74)62-29(18-34(51)69)42(78)64-31(21-68)43(79)63-30(19-35(52)70)47(83)66-16-7-9-32(66)44(80)57-23(2)37(73)59-27(13-17-86-4)40(76)58-24(3)46(82)65-15-6-10-33(65)45(81)60-26(8-5-14-55-49(53)54)41(77)61-28(48(84)85)11-12-36(71)72/h22-33,67-68H,5-21,50H2,1-4H3,(H2,51,69)(H2,52,70)(H,56,75)(H,57,80)(H,58,76)(H,59,73)(H,60,81)(H,61,77)(H,62,74)(H,63,79)(H,64,78)(H,71,72)(H,84,85)(H4,53,54,55)/t22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1",VQMDZCSYTGHXGO-QXVRTUGUSA-N,1243.561535
"1,3-dihydroxy-9H-xanthen-9-one",C13H8O4,C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O,"InChI=1S/C13H8O4/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h1-6,14-15H",GTHOERCJZSJGHB-UHFFFAOYSA-N,228.0422587
Hibifolin,C21H18O14,C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O,"InChI=1S/C21H18O14/c22-6-2-1-5(3-7(6)23)16-13(28)11(26)10-8(24)4-9(25)17(18(10)33-16)34-21-15(30)12(27)14(29)19(35-21)20(31)32/h1-4,12,14-15,19,21-25,27-30H,(H,31,32)/t12-,14-,15+,19-,21+/m0/s1",KHVMAMXQPVHXTJ-ORYXKJSJSA-N,494.0696552
"(Z,3R)-1-azabicyclo[2.2.2]oct-3-carbonimidoyl cyanide",C10H15N3O,CO/N=C(/C#N)\[C@H]1CN2CCC1CC2,"InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10-/t9-/m0/s1",IQWCBYSUUOFOMF-ZJVCQKQLSA-N,193.1215121
Hippocampal cholinergic neurostimulating peptide,C53H79N13O17,CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C,"InChI=1S/C53H79N13O17/c1-9-26(4)43(65-49(78)36(21-42(71)72)61-46(75)29(7)58-45(74)28(6)57-30(8)68)52(81)64-38(24-67)50(79)60-34(16-17-40(54)69)47(76)62-35(20-31-22-55-33-14-11-10-13-32(31)33)48(77)59-27(5)44(73)56-23-41(70)66-18-12-15-39(66)51(80)63-37(53(82)83)19-25(2)3/h10-11,13-14,22,25-29,34-39,43,55,67H,9,12,15-21,23-24H2,1-8H3,(H2,54,69)(H,56,73)(H,57,68)(H,58,74)(H,59,77)(H,60,79)(H,61,75)(H,62,76)(H,63,80)(H,64,81)(H,65,78)(H,71,72)(H,82,83)/t26-,27-,28-,29-,34-,35-,36-,37-,38-,39-,43-/m0/s1",CPPVONFJYMZZAP-AAMOZYCBSA-N,1169.571688
"(3S,4R)-4-[(E)-2-[(6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one",C22H35NO2,C[C@H]1CCCC(N1C)/C=C/[C@@H]2C3CCCCC3CC4C2[C@@H](OC4=O)C,"InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16?,17?,18?,19+,20?,21?/m0/s1",FMPNFDSPHNUFOS-IQBGQHSESA-N,345.2667794
3-[2-Chloro-4-(dimethylamino)phenyl]-1-(4-chlorophenyl)-2-propen-1-one,C17H15Cl2NO,CN(C)C1=CC(=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)Cl,"InChI=1S/C17H15Cl2NO/c1-20(2)15-9-5-12(16(19)11-15)6-10-17(21)13-3-7-14(18)8-4-13/h3-11H,1-2H3/b10-6+",MKBRTQMNOVWVCA-UXBLZVDNSA-N,319.0530695
Alaternin,C34H42O19,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC=C(C=C6)O)O)O)O)C)O)O)O)O,"InChI=1S/C34H42O19/c1-11-20(37)24(41)26(43)33(49-11)52-30-21(38)12(2)48-32(28(30)45)47-10-18-22(39)25(42)27(44)34(51-18)53-31-23(40)19-16(36)8-15(46-3)9-17(19)50-29(31)13-4-6-14(35)7-5-13/h4-9,11-12,18,20-22,24-28,30,32-39,41-45H,10H2,1-3H3/t11-,12-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1",MQMTVWHXCSRCER-BZPRNGGBSA-N,754.2320291
Fordine,C15H18N2O,C/C=C/1\C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+",ZRJBHWIHUMBLCN-QDEBKDIKSA-N,242.1419132
"2,2'-Dihydroxy-4',6'-dimethoxychalcone",C17H16O5,COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2O)O,"InChI=1S/C17H16O5/c1-21-12-9-15(20)17(16(10-12)22-2)14(19)8-7-11-5-3-4-6-13(11)18/h3-10,18,20H,1-2H3/b8-7+",ONIYXBSQSPCBOF-BQYQJAHWSA-N,300.0997736
Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate,C22H26N2O3,C/C=C\1/CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC,"InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-",IWEYXWIPVZEVPT-PQMHYQBVSA-N,366.1943427
"1,1,1-Trifluoro-4-phenylbut-3-en-2-one",C10H7F3O,C1=CC=C(C=C1)/C=C/C(=O)C(F)(F)F,"InChI=1S/C10H7F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+",ADEYYFREIBSWFP-VOTSOKGWSA-N,200.0448993
10-O-Acetylgeniposide,C19H26O11,CC(=O)OCC1=CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,"InChI=1S/C19H26O11/c1-8(21)27-6-9-3-4-10-11(17(25)26-2)7-28-18(13(9)10)30-19-16(24)15(23)14(22)12(5-20)29-19/h3,7,10,12-16,18-20,22-24H,4-6H2,1-2H3/t10-,12-,13-,14-,15+,16-,18+,19+/m1/s1",LOXQKSBAJJTUOX-BZDYRZRUSA-N,430.1475116
Sibiricose A5,C22H30O14,COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O,"InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1",ZPEADZHVGOCGKH-YQTDNFGYSA-N,518.1635556
Sibiricose A6,C23H32O15,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O,"InChI=1S/C23H32O15/c1-33-11-5-10(6-12(34-2)16(11)28)3-4-15(27)36-21-18(30)14(8-25)37-23(21,9-26)38-22-20(32)19(31)17(29)13(7-24)35-22/h3-6,13-14,17-22,24-26,28-32H,7-9H2,1-2H3/b4-3+/t13-,14-,17-,18-,19+,20-,21+,22-,23+/m1/s1",WTCVROXOIQEIRC-IBVGEFGBSA-N,548.1741203
6-Hydroxy-2-oxohexanoic acid,C6H10O4,C(CCO)CC(=O)C(=O)O,"InChI=1S/C6H10O4/c7-4-2-1-3-5(8)6(9)10/h7H,1-4H2,(H,9,10)",KIKUKXLMZJYPTL-UHFFFAOYSA-N,146.0579088
Boranecarboxylic acid,CHBO2,[B]C(=O)O,"InChI=1S/CHBO2/c2-1(3)4/h(H,3,4)",KUVACXWWIKEMLH-UHFFFAOYSA-N,56.0069594
"(6Ar,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",C33H37N5O5,C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CC6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23?,25-,26+,27+,32-,33+/m1/s1",LUZRJRNZXALNLM-XKNNNLKHSA-N,583.2794693
"[(8R,9R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate",C37H50N2O10,CCN1CC2(CCC(C34C2[C@@H]([C@](C31)([C@]5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21?,22?,24?,25?,27?,28?,29?,30-,33?,34?,35+,36?,37-/m0/s1",XLTANAWLDBYGFU-SCAXRLHISA-N,682.3465458
L-alanyl-L-threonine,C7H14N2O4,C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)N)O,"InChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1",BUQICHWNXBIBOG-LMVFSUKVSA-N,190.0953569
Oxolamine,C14H19N3O,CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2,"InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3",IDCHQQSVJAAUQQ-UHFFFAOYSA-N,245.1528122
4alphaH-Eudesmane,C15H28,C[C@@H]1CCC[C@@]2([C@@H]1C[C@H](CC2)C(C)C)C,"InChI=1S/C15H28/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3/t12-,13+,14-,15+/m1/s1",DYEQPYSFRWUNNV-BARDWOONSA-N,208.2191009
Ferulamide,C10H11NO3,COC1=C(C=CC(=C1)/C=C/C(=O)N)O,"InChI=1S/C10H11NO3/c1-14-9-6-7(2-4-8(9)12)3-5-10(11)13/h2-6,12H,1H3,(H2,11,13)/b5-3+",YYAJJKZSQWOLIP-HWKANZROSA-N,193.0738932
Zaragozic acid A,C35H46O14,CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O,"InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1",DFKDOZMCHOGOBR-NCSQYGPNSA-N,690.2887561
Schisantherin B,C28H34O9,C/C=C(/C)\C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@]1(C)O)C)OCO4)OC)OC)OC)OC,"InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26-,28-/m0/s1",BKGUPIVDQHHVMV-RZGKOBFOSA-N,514.2202827
3-Quinuclidinyl alpha-hydroxy-alpha-(1-iodo-1-propen-3-yl)-alpha-phenylacetate,C18H22INO3,C1CN2CCC1C(C2)OC(=O)C(C/C=C/I)(C3=CC=CC=C3)O,"InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+",MMUQVFDMUDOFSH-ONNFQVAWSA-N,427.06444
"(3E,5E,7E)-3-methyl-8-phenylocta-3,5,7-trien-2-one",C15H16O,C/C(=C\C=C\C=C\C1=CC=CC=C1)/C(=O)C,"InChI=1S/C15H16O/c1-13(14(2)16)9-5-3-6-10-15-11-7-4-8-12-15/h3-12H,1-2H3/b5-3+,10-6+,13-9+",DLEPTASFXXJVDU-XVZDYSDNSA-N,212.1201151
"1,4,7-Octatriene",C8H12,C=CC/C=C/CC=C,"InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-4,7-8H,1-2,5-6H2/b8-7+",BUAQSUJYSBQTHA-BQYQJAHWSA-N,108.0939004
Coniferyl ferulate,C20H20O6,COC1=C(C=CC(=C1)/C=C/COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O,"InChI=1S/C20H20O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h3-10,12-13,21-22H,11H2,1-2H3/b4-3+,10-7+",PGLIMMMHQDNVRS-YZQQHVNFSA-N,356.1259884
Gymnemoside a,C43H66O14,C/C=C(\C)/C(=O)O[C@@H]1[C@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)C)[C@H]2CC1(C)C)C)O)CO)OC(=O)C,"InChI=1S/C43H66O14/c1-10-21(2)36(53)57-33-34(54-22(3)46)43(20-45)24(17-38(33,4)5)23-11-12-26-39(6)15-14-28(55-37-31(50)29(48)30(49)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)47/h10-11,24-34,37,44-45,47-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25?,26?,27-,28?,29+,30+,31-,32+,33-,34-,37-,39+,40?,41-,42-,43+/m1/s1",HEDGVSAVGIUCLH-BTVGPTDJSA-N,806.4452568
Xanthocillin X dimethyl ether,C20H16N2O2,COC1=CC=C(C=C1)/C=C(\[N+]#[C-])/C(=C/C2=CC=C(C=C2)OC)/[N+]#[C-],"InChI=1S/C20H16N2O2/c1-21-19(13-15-5-9-17(23-3)10-6-15)20(22-2)14-16-7-11-18(24-4)12-8-16/h5-14H,3-4H3/b19-13-,20-14-",VJKZMXOJMQCHRI-AXPXABNXSA-N,316.1211778
"1,2,4-Thiadiazole",C2H2N2S,C1=NSC=N1,InChI=1S/C2H2N2S/c1-3-2-5-4-1/h1-2H,YGTAZGSLCXNBQL-UHFFFAOYSA-N,85.99386925
"3,4',5-Trihydroxy-3',6,7-trimethoxyflavone",C18H16O8,COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)O,"InChI=1S/C18H16O8/c1-23-10-6-8(4-5-9(10)19)17-16(22)14(20)13-11(26-17)7-12(24-2)18(25-3)15(13)21/h4-7,19,21-22H,1-3H3",RQJFJWHHIIPKGW-UHFFFAOYSA-N,360.0845175
"(1R,2S,6S,9S,10S,11R,14S,15S,18S,20R,23R,24S)-20-chloro-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one",C27H42ClNO3,C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@](C6)(O)Cl)C)(C)O,"InChI=1S/C27H42ClNO3/c1-15-4-7-24-26(3,31)20-6-5-16-17(19(20)14-29(24)13-15)10-21-18(16)11-23(30)22-12-27(28,32)9-8-25(21,22)2/h15-22,24,31-32H,4-14H2,1-3H3/t15-,16+,17+,18-,19-,20+,21-,22+,24-,25+,26-,27-/m0/s1",CALPSOQDQFVHFE-SASHIDEHSA-N,463.2853219
"2,2',4-Trihydroxychalcone",C15H12O4,C1=CC=C(C(=C1)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O,"InChI=1S/C15H12O4/c16-11-7-5-10(15(19)9-11)6-8-14(18)12-3-1-2-4-13(12)17/h1-9,16-17,19H/b8-6+",ZLEFYDUXMWKPSH-SOFGYWHQSA-N,256.0735589
5'-O-methyladenosine,C11H15N5O4,COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O,"InChI=1S/C11H15N5O4/c1-19-2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",MLFJPVLRZZMIIP-IOSLPCCCSA-N,281.112404
(E)-N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine,C16H18N2O2,COC1=CC=CC(=C1)C#CCO/N=C\2/CN3CCC2C3,"InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16-",FXBXWJPMXQHOGD-MSUUIHNZSA-N,270.1368278
"1-(3,4-Dimethoxyphenyl)-3-[3-(1h-Imidazol-1-Yl)propyl]thiourea",C15H20N4O2S,COC1=C(C=C(C=C1)NC(=S)NCCCN2C=CN=C2)OC,"InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)",FZQXMGLQANXZRP-UHFFFAOYSA-N,320.1306971
"Methyl N-({(2s,3s)-3-[(Propylamino)carbonyl]oxiran-2-Yl}carbonyl)-L-Isoleucyl-L-Prolinate",C19H31N3O6,CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC,"InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1",XGWSRLSPWIEMLQ-YTFOTSKYSA-N,397.2212857
Huprine Y,C17H17ClN2,CC1=C[C@H]2C[C@@H](C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N,"InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1",UKCBMHDZLYYTMI-WDEREUQCSA-N,284.1080262
N-ethenylaniline,C8H9N,C=CNC1=CC=CC=C1,"InChI=1S/C8H9N/c1-2-9-8-6-4-3-5-7-8/h2-7,9H,1H2",PZUGJLOCXUNFLM-UHFFFAOYSA-N,119.0734993
"5-[[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(oxaloamino)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]amino]benzene-1,3-dicarboxylic acid",C34H44N6O12,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)C(=O)O)N,"InChI=1S/C34H44N6O12/c1-16(2)10-24(39-29(44)25(17(3)4)40-27(42)22(35)15-36-31(46)34(51)52)28(43)38-23(11-18-8-6-5-7-9-18)26(41)30(45)37-21-13-19(32(47)48)12-20(14-21)33(49)50/h5-9,12-14,16-17,22-26,41H,10-11,15,35H2,1-4H3,(H,36,46)(H,37,45)(H,38,43)(H,39,44)(H,40,42)(H,47,48)(H,49,50)(H,51,52)/t22-,23-,24-,25-,26+/m0/s1",WZJHGCSWOYSTGN-WBAQKLHDSA-N,728.3017209
"3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)benzoic acid",C33H44N10O8,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC=CC(=C2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)C3=NNN=N3)N,"InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/m0/s1",FOEYBHHGUJYFBZ-WBAQKLHDSA-N,708.3343584
"5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid",C34H44N10O10,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)C3=NNN=N3)N,"InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1",IOHHQCLTBSFSAT-WBAQKLHDSA-N,752.3241876
5-((4-Prop-2-ynylpiperazin-1-yl)methyl)quinolin-8-ol,C17H19N3O,C#CCN1CCN(CC1)CC2=C3C=CC=NC3=C(C=C2)O,"InChI=1S/C17H19N3O/c1-2-8-19-9-11-20(12-10-19)13-14-5-6-16(21)17-15(14)4-3-7-18-17/h1,3-7,21H,8-13H2",JWUOZHTYFQHGAB-UHFFFAOYSA-N,281.1528122
Tryptophanol,C11H14N2O,C1=CC=C2C(=C1)C(=CN2)C[C@@H](CO)N,"InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1",UDQCRUSSQAXPJY-VIFPVBQESA-N,190.1106131
"methyl (Z)-2-[(3S,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate",C22H28N2O4,CC[C@@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C/OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13-/t14-,15+,19+,22+/m1/s1",DAXYUDFNWXHGBE-WMLLIFGASA-N,384.2049074
Ile-Phe,C15H22N2O3,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N,"InChI=1S/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)/t10-,12-,13-/m0/s1",WMDZARSFSMZOQO-DRZSPHRISA-N,278.1630426
Met-Asp,C9H16N2O5S,CSCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N,"InChI=1S/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1",QTZXSYBVOSXBEJ-WDSKDSINSA-N,264.0779928
H-Gly-met-gly-OH,C9H17N3O4S,CSCC[C@@H](C(=O)NCC(=O)O)NC(=O)CN,"InChI=1S/C9H17N3O4S/c1-17-3-2-6(12-7(13)4-10)9(16)11-5-8(14)15/h6H,2-5,10H2,1H3,(H,11,16)(H,12,13)(H,14,15)/t6-/m0/s1",HHRODZSXDXMUHS-LURJTMIESA-N,263.0939772
"N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine",C18H19N3O4,COC1=C(C=C(C=C1)NC2=NC=NC3=CC(=C(C=C32)OC)OC)OC,"InChI=1S/C18H19N3O4/c1-22-14-6-5-11(7-15(14)23-2)21-18-12-8-16(24-3)17(25-4)9-13(12)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)",CCHZXKUIBPNVKD-UHFFFAOYSA-N,341.1375561
Methyl galbanate,C25H32O5,C[C@H]1CCC(=C(C)C)[C@@H]([C@@]1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)OC,"InChI=1S/C25H32O5/c1-16(2)20-10-6-17(3)25(4,21(20)11-13-23(26)28-5)15-29-19-9-7-18-8-12-24(27)30-22(18)14-19/h7-9,12,14,17,21H,6,10-11,13,15H2,1-5H3/t17-,21-,25-/m0/s1",LWKZASDDSMSRFV-ADSMNUKGSA-N,412.2249741
2'-Deoxyadenosine,C10H13N5O3,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O,"InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1",OLXZPDWKRNYJJZ-RRKCRQDMSA-N,251.1018393
bis(7)-Tacrine,C33H40N4,C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCNC4=C5CCCCC5=NC6=CC=CC=C64,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)",ITZOKHKOFJOBFS-UHFFFAOYSA-N,492.3252973
Milameline,C8H14N2O,CN1CCC=C(C1)/C=N/OC,"InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3/b9-6+",YMMXHEYLRHNXAB-RMKNXTFCSA-N,154.1106131
Acetophenone phenylhydrazone,C14H14N2,C/C(=N\NC1=CC=CC=C1)/C2=CC=CC=C2,"InChI=1S/C14H14N2/c1-12(13-8-4-2-5-9-13)15-16-14-10-6-3-7-11-14/h2-11,16H,1H3/b15-12+",CPSCIFXVLXCFIQ-NTCAYCPXSA-N,210.1156985
Sabcomeline,C10H15N3O,CO/N=C(\C#N)/[C@H]1CN2CCC1CC2,"InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1",IQWCBYSUUOFOMF-QTLFRQQHSA-N,193.1215121
"Spiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine], (2'R)-",C13H16N2O,C1CN2CCC1[C@@]3(C2)CC4=C(O3)N=CC=C4,"InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1",OCKIPDMKGPYYJS-ZDUSSCGKSA-N,216.1262631
L-huperzine A,C15H18N2O,C/C=C/1\[C@@H]2CC3=C([C@@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1",ZRJBHWIHUMBLCN-HZRLMBICSA-N,242.1419132
[4]-Shogaol,C15H20O3,CCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC,"InChI=1S/C15H20O3/c1-3-4-5-6-13(16)9-7-12-8-10-14(17)15(11-12)18-2/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3/b6-5+",PHHDVGGCTAPBHF-AATRIKPKSA-N,248.1412445
"1,7-Bis(4-hydroxyphenyl)-1-heptene-3,5-dione",C19H18O4,C1=CC(=CC=C1CCC(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O,"InChI=1S/C19H18O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-5,7-11,20-21H,6,12-13H2/b11-5+",AWUBJLRYWHOLFW-VZUCSPMQSA-N,310.1205091
"6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy)-N-methyl-3-pyridinecarboxamide",C21H25N3O2,CNC(=O)C1=CN=C(C=C1)OC2=CC3=C(CCN(CC3)C4CCC4)C=C2,"InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)",WROHEWWOCPRMIA-UHFFFAOYSA-N,351.1946771
Ginsenoside F1,C36H62O9,CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C,"InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31-,33+,34+,35+,36-/m0/s1",XNGXWSFSJIQMNC-FIYORUNESA-N,638.4393836
"(1S,12S,14R)-14-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-ol",C17H21NO3,CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)O)OC,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(20-2)9-14(17)21-16-13(19)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1",LPCKPBWOSNVCEL-JDFRZJQESA-N,287.1521435
Hexametazine,C13H28N4O2,CC(NCC(CNC(/C(=N/O)/C)C)(C)C)/C(=N/O)/C,"InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+",BPNZYADGDZPRTK-MAEUFBSDSA-N,272.2212262
Ganstigmine,C22H27N3O3,CCC1=CC=CC=C1NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN(O4)C)C)C,"InChI=1S/C22H27N3O3/c1-5-15-8-6-7-9-18(15)23-21(26)27-16-10-11-19-17(14-16)22(2)12-13-24(3)28-20(22)25(19)4/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26)/t20-,22-/m0/s1",ZOBDWFRKFSPCRB-UNMCSNQZSA-N,381.2052417
Davunetide,C36H60N10O12,CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)N,"InChI=1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1",DWLTUUXCVGVRAV-XWRHUKJGSA-N,824.4392174
Thr-Pro,C9H16N2O4,C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)N)O,"InChI=1S/C9H16N2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12H,2-4,10H2,1H3,(H,14,15)/t5-,6+,7+/m1/s1",QOLYAJSZHIJCTO-VQVTYTSYSA-N,216.111007
Cysteinyl-Arginine,C9H19N5O3S,C(CC(C(=O)O)NC(=O)C(CS)N)CN=C(N)N,"InChI=1S/C9H19N5O3S/c10-5(4-18)7(15)14-6(8(16)17)2-1-3-13-9(11)12/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)",RGTVXXNMOGHRAY-UHFFFAOYSA-N,277.1208607
"4-(1,3-benzothiazol-2-yl)-N-methylaniline",C14H12N2S,CNC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2,"InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3",FHJRKGXJBXPBGA-UHFFFAOYSA-N,240.0721196
Norgalanthamine,C16H19NO3,COC1=C2C3=C(CNCC[C@]34C=C[C@@H](C[C@@H]4O2)O)C=C1,"InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1",AIXQQSTVOSFSMO-RBOXIYTFSA-N,273.1364935
Semagacestat,C19H27N3O4,C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O,"InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1",PKXWXXPNHIWQHW-RCBQFDQVSA-N,361.2001564
"2H-1-Benzopyran-2-one, 6,7-dimethoxy-3-(4-((methyl(phenylmethyl)amino)methyl)phenyl)-",C26H25NO4,CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC4=CC(=C(C=C4OC3=O)OC)OC,"InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3",KXMCSAUVAHKCOR-UHFFFAOYSA-N,415.1783583
Hypocholamide,C26H45NO4,C[C@H](CCC(=O)N(C)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,"InChI=1S/C26H45NO4/c1-16(6-9-24(30)27(4)31-5)19-7-8-20-18-15-23(29)22-14-17(28)10-12-26(22,3)21(18)11-13-25(19,20)2/h16-23,28-29H,6-15H2,1-5H3/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-/m1/s1",MRYPVFSDUDGNJW-BHYUGXBJSA-N,435.3348589
(S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid,C20H27N3O8,C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1,"InChI=1S/C20H27N3O8/c1-11(2)16(23-20(30)31-10-13-7-5-4-6-8-13)18(27)21-12(3)17(26)22-14(19(28)29)9-15(24)25/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,21,27)(H,22,26)(H,23,30)(H,24,25)(H,28,29)/t12-,14-,16-/m0/s1",ZEQLKYSQIAZNOS-NOLJZWGESA-N,437.1798148
"1,2-Ethanediamine, N-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl)-N'-(5-nitro-2-pyridinyl)-",C20H16Cl2N8O2,C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC=C(C=C4)[N+](=O)[O-],"InChI=1S/C20H16Cl2N8O2/c21-12-1-3-14(16(22)9-12)18-15(19-24-6-7-25-19)11-28-20(29-18)26-8-5-23-17-4-2-13(10-27-17)30(31)32/h1-4,6-7,9-11H,5,8H2,(H,23,27)(H,24,25)(H,26,28,29)",GUMBZKISKUIHJB-UHFFFAOYSA-N,470.0773272
h-Lys-leu-val-phe-phe-oh,C35H52N6O6,CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CCCCN)N,"InChI=1S/C35H52N6O6/c1-22(2)19-27(38-31(42)26(37)17-11-12-18-36)33(44)41-30(23(3)4)34(45)39-28(20-24-13-7-5-8-14-24)32(43)40-29(35(46)47)21-25-15-9-6-10-16-25/h5-10,13-16,22-23,26-30H,11-12,17-21,36-37H2,1-4H3,(H,38,42)(H,39,45)(H,40,43)(H,41,44)(H,46,47)/t26-,27-,28-,29-,30-/m0/s1",SICITCLFXRGKJW-IIZANFQQSA-N,652.3948334
Val-Glu-Ser-Tyr-Val-Pro-Leu-Phe-Pro,C52H75N9O14,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)N,"InChI=1S/C52H75N9O14/c1-28(2)24-35(45(67)57-37(26-31-12-8-7-9-13-31)50(72)61-23-11-15-40(61)52(74)75)56-48(70)39-14-10-22-60(39)51(73)43(30(5)6)59-46(68)36(25-32-16-18-33(63)19-17-32)55-47(69)38(27-62)58-44(66)34(20-21-41(64)65)54-49(71)42(53)29(3)4/h7-9,12-13,16-19,28-30,34-40,42-43,62-63H,10-11,14-15,20-27,53H2,1-6H3,(H,54,71)(H,55,69)(H,56,70)(H,57,67)(H,58,66)(H,59,68)(H,64,65)(H,74,75)/t34-,35-,36-,37-,38-,39-,40-,42-,43-/m0/s1",YGEZVMCBOIUNAB-LOVBEFMQSA-N,1049.543348
"3'-tert-Butyl-2,2,2-trifluoroacetophenone",C12H13F3O,CC(C)(C)C1=CC=CC(=C1)C(=O)C(F)(F)F,"InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3",XAZQUPBUJONHAF-UHFFFAOYSA-N,230.0918495
Physostigmine Carbamate 18a,C23H29N3O2,CC(C)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)N(C4[C@]3(CCN4C)C)C,"InChI=1S/C23H29N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(27)28-18-10-11-20-19(14-18)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21?,23-/m0/s1",NKJRRVBTMYRXRB-YANBTOMASA-N,379.2259772
2-(4-Cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile,C25H31N3O2S,COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C#N)N3CCN(CC3)C4CCCCC4,"InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3",BFELQLHLUNQIHL-UHFFFAOYSA-N,437.2136984
"10,10-Bis((2-fluoropyridin-4-yl)methyl)anthracen-9(10H)-one",C26H18F2N2O,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC(=NC=C4)F)CC5=CC(=NC=C5)F,"InChI=1S/C26H18F2N2O/c27-23-13-17(9-11-29-23)15-26(16-18-10-12-30-24(28)14-18)21-7-3-1-5-19(21)25(31)20-6-2-4-8-22(20)26/h1-14H,15-16H2",MUJBUUDUXGDXLW-UHFFFAOYSA-N,412.1387195
1-(4-Bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone,C14H13BrNO,C[N+]1=CC=CC=C1CC(=O)C2=CC=C(C=C2)Br,"InChI=1S/C14H13BrNO/c1-16-9-3-2-4-13(16)10-14(17)11-5-7-12(15)8-6-11/h2-9H,10H2,1H3/q+1",ABKAHMCVCKGZSX-UHFFFAOYSA-N,290.01805
"1-[3-[(5-bromo-2-pyridinyl)-[(3,4-dichlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea",C22H25BrCl2N6S,C1=CC(=C(C=C1CN(CCCNC(=S)NCCCC2=CN=CN2)C3=NC=C(C=C3)Br)Cl)Cl,"InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)",UREJDUPKGMFJRU-UHFFFAOYSA-N,554.04218
1-(5-Cyclobutyl-2-thiazolyl)-3-(5-isoquinolyl)urea,C17H16N4OS,C1CC(C1)C2=CN=C(S2)NC(=O)NC3=CC=CC4=C3C=CN=C4,"InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)11-3-1-4-11)20-14-6-2-5-12-9-18-8-7-13(12)14/h2,5-11H,1,3-4H2,(H2,19,20,21,22)",XDNYSGYXQHZDEY-UHFFFAOYSA-N,324.1044823
Edonerpic,C16H21NO2S,C1C(CN1CCCOCCC2=CC3=C(C=C2)SC=C3)O,"InChI=1S/C16H21NO2S/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2",HQNACSFBDBYLJP-UHFFFAOYSA-N,291.1293001
"1,1-Dicyano-2-[6-(dimethylamino)naphthalene-2-yl]propene",C17H15N3,CC(=C(C#N)C#N)C1=CC2=C(C=C1)C=C(C=C2)N(C)C,"InChI=1S/C17H15N3/c1-12(16(10-18)11-19)13-4-5-15-9-17(20(2)3)7-6-14(15)8-13/h4-9H,1-3H3",OGQSKUQBPUTFHS-UHFFFAOYSA-N,261.1265975
Physostigmine Carbamate 17a,C21H25N3O2,CC1=CC=CC=C1NC(=O)OC2=CC3=C(C=C2)N(C4[C@]3(CCN4C)C)C,"InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19?,21-/m0/s1",JGAGHIIOCADQOV-QWAKEFERSA-N,351.1946771
Cymserine,C23H29N3O2,CC(C)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN4C)C)C,"InChI=1S/C23H29N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(27)28-18-10-11-20-19(14-18)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21-,23+/m1/s1",NKJRRVBTMYRXRB-GGAORHGYSA-N,379.2259772
Memoquin,C38H56N4O4,CCN(CCCCCCNC1=CC(=O)C(=CC1=O)NCCCCCCN(CC)CC2=CC=CC=C2OC)CC3=CC=CC=C3OC,"InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-22,27-28,39-40H,5-10,15-18,23-26,29-30H2,1-4H3",VPXVPJQOPRBXPO-UHFFFAOYSA-N,632.4301563
Tolserine,C21H25N3O2,CC1=CC=CC=C1NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN4C)C)C,"InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21+/m1/s1",JGAGHIIOCADQOV-CTNGQTDRSA-N,351.1946771
"[3-(Diethylaminomethyl)phenyl]methyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate",C30H28N2O3S,CCN(CC)CC1=CC(=CC=C1)COC(=O)C2=C3C4=C(C=CN3C(=O)C(=C2)C5=CC=CC=C5)C=CS4,"InChI=1S/C30H28N2O3S/c1-3-31(4-2)19-21-9-8-10-22(17-21)20-35-30(34)26-18-25(23-11-6-5-7-12-23)29(33)32-15-13-24-14-16-36-28(24)27(26)32/h5-18H,3-4,19-20H2,1-2H3",UURANQOBHBDYJX-UHFFFAOYSA-N,496.1820639
"MK-677, (HCl salt)",C27H36N4O5S,CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N,"InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)",UMUPQWIGCOZEOY-UHFFFAOYSA-N,528.2406414
4-(4-fluorophenyl)-1-(4-methanesulfonylphenyl)-3-(trifluoromethyl)-1H-pyrazole,C17H12F4N2O2S,CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C3=CC=C(C=C3)F,"InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-10-15(16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3",ZFOJSDBIQICCNR-UHFFFAOYSA-N,384.0555615
Mulberrofuran G,C34H26O8,CC1=C[C@@H]2[C@@H]3[C@@H](C1)C4=C(C=C(C=C4)O)O[C@@]3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O,"InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33-,34+/m0/s1",MJJWBJFYYRAYKU-OPKNDJPNSA-N,562.1627678
3-Azido-L-alanine,C3H6N4O2,C([C@@H](C(=O)O)N)N=[N+]=[N-],"InChI=1S/C3H6N4O2/c4-2(3(8)9)1-6-7-5/h2H,1,4H2,(H,8,9)/t2-/m0/s1",CIFCKCQAKQRJFC-REOHCLBHSA-N,130.0490755
"1-(6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[D]azepin-7-YL)oxy)pyridin-3-YL)pyrrolidin-2-one",C23H27N3O2,C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=C(C=C4)N5CCCC5=O,"InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2",YFRBKEVUUCQYOW-UHFFFAOYSA-N,377.2103271
N-Cinnamoyl Serotonin,C19H18N2O2,C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O,"InChI=1S/C19H18N2O2/c22-16-7-8-18-17(12-16)15(13-21-18)10-11-20-19(23)9-6-14-4-2-1-3-5-14/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b9-6+",FRAFXYQJEIADQB-RMKNXTFCSA-N,306.1368278
"1-(3',4'-Dichloro-2-fluoro(1,1'-biphenyl)-4-yl)cyclopropanecarboxylic acid",C16H11Cl2FO2,C1CC1(C2=CC(=C(C=C2)C3=CC(=C(C=C3)Cl)Cl)F)C(=O)O,"InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)",LIYLTQQDABRNRX-UHFFFAOYSA-N,324.0120131
"(2S)-2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4,5]decan-3-one",C10H18N2OS,CC[C@H]1C(=O)NC2(S1)CCN(CC2)C,"InChI=1S/C10H18N2OS/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1",PHOZOHFUXHPOCK-QMMMGPOBSA-N,214.1139844
"8-Quinolinol, 5,7-dichloro-2-((dimethylamino)methyl)-",C12H12Cl2N2O,CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl,"InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3",YZPOQCQXOSEMAZ-UHFFFAOYSA-N,270.0326684
Caproctamine,C40H66N4O4,CN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)CC1=CC=CC=C1OC)CC2=CC=CC=C2OC,"InChI=1S/C40H66N4O4/c1-41(33-35-23-15-17-25-37(35)47-5)29-19-11-13-27-39(45)43(3)31-21-9-7-8-10-22-32-44(4)40(46)28-14-12-20-30-42(2)34-36-24-16-18-26-38(36)48-6/h15-18,23-26H,7-14,19-22,27-34H2,1-6H3",HDAQKLAKMZNBQB-UHFFFAOYSA-N,666.5084066
Quinolactacin A2,C16H18N2O2,CC[C@H](C)[C@H]1C2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1,"InChI=1S/C16H18N2O2/c1-4-9(2)13-14-12(16(20)17-13)15(19)10-7-5-6-8-11(10)18(14)3/h5-9,13H,4H2,1-3H3,(H,17,20)/t9-,13-/m0/s1",FLHQAMWKNPOTDV-ZANVPECISA-N,270.1368278
L-Methionine (R)-S-oxide,C5H11NO3S,C[S@@](=O)CC[C@@H](C(=O)O)N,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1",QEFRNWWLZKMPFJ-ZXPFJRLXSA-N,165.0459644
1-((2-Bromophenyl)sulfonyl)-5-methoxy-3-((4-methylpiperazin-1-yl)methyl)-1H-indole,C21H24BrN3O3S,CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4Br,"InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3",GWCYPEHWIZXYFZ-UHFFFAOYSA-N,477.07218
Ageconyflavone A,C19H16O7,COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC4=C(C=C3)OCO4)OC)OC,"InChI=1S/C19H16O7/c1-21-16-8-15-17(19(23-3)18(16)22-2)11(20)7-13(26-15)10-4-5-12-14(6-10)25-9-24-12/h4-8H,9H2,1-3H3",UWMIBQBUKOVZNB-UHFFFAOYSA-N,356.0896029
"N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide",C19H37N5O5,C[C@@H](C(=O)NCCN)NC(=O)[C@H](C(C)(C)C)NC(=O)C(CC(C)C)CC(=O)NO,"InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13?,15+/m0/s1",LMIQCBIEAHJAMZ-RMTCENKZSA-N,415.2794693
FP-Tztp,C11H16FN3S2,CN1CCC=C(C1)C2=NSN=C2SCCCF,"InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3",NQKPPQNBFQLLIZ-UHFFFAOYSA-N,273.076968
Flutemetamol,C14H11FN2OS,CNC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)F,"InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3",VVECGOCJFKTUAX-UHFFFAOYSA-N,274.0576123
"7-Chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2,4(9),5,7,10,14-hexaen-3-amine",C17H17ClN2,CC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N,"InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)",UKCBMHDZLYYTMI-UHFFFAOYSA-N,284.1080262
TAK-070 free base,C27H31NO,CN(C)CC[C@@H]1CCC2=C(C1)C=CC(=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4,"InChI=1S/C27H31NO/c1-28(2)17-16-21-8-13-26-19-27(15-14-25(26)18-21)29-20-22-9-11-24(12-10-22)23-6-4-3-5-7-23/h3-7,9-12,14-15,19,21H,8,13,16-18,20H2,1-2H3/t21-/m0/s1",SETMAZMOXYOEJA-NRFANRHFSA-N,385.2405646
Lecozotan,C28H29N5O3,C[C@H](CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)OCCO5,"InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1",NRPQELCNMADTOZ-OAQYLSRUSA-N,483.2270398
"5,6-Dimethoxy-1,2-benzisothiazole-3(2H)-one",C9H9NO3S,COC1=C(C=C2C(=C1)C(=O)NS2)OC,"InChI=1S/C9H9NO3S/c1-12-6-3-5-8(4-7(6)13-2)14-10-9(5)11/h3-4H,1-2H3,(H,10,11)",YUHYVLUZRNDPTM-UHFFFAOYSA-N,211.0303143
2-(4-(Methylamino)phenyl)benzo[d]thiazol-6-ol,C14H12N2OS,CNC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O,"InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3",ZQAQXZBSGZUUNL-UHFFFAOYSA-N,256.0670342
"2,8-Dimethyl-1-thia-3,8-diazaspiro[4.5]dec-2-ene",C9H16N2S,CC1=NCC2(S1)CCN(CC2)C,"InChI=1S/C9H16N2S/c1-8-10-7-9(12-8)3-5-11(2)6-4-9/h3-7H2,1-2H3",VGGGBQVTSUMURJ-UHFFFAOYSA-N,184.1034197
(R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane,C11H13ClN2,C1CC2[C@H](CC1N2)C3=CN=C(C=C3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1",NLPRAJRHRHZCQQ-HWOCKDDLSA-N,208.0767261
"3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole",C10H14N2O2,C1CN2CCC1[C@H](C2)OC3=NOC=C3,"InChI=1S/C10H14N2O2/c1-4-12-5-2-8(1)9(7-12)14-10-3-6-13-11-10/h3,6,8-9H,1-2,4-5,7H2/t9-/m0/s1",FBHYIUWJDHHCCJ-VIFPVBQESA-N,194.1055277
"N-(3-(2-Dimethylaminoethyl)-1H-indol-5-yl)-6-chloroimidazo(2,1-b)thiazole-5-sulfonamide",C17H18ClN5O2S2,CN(C)CCC1=CNC2=C1C=C(C=C2)NS(=O)(=O)C3=C(N=C4N3C=CS4)Cl,"InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3",RZAXUKVIIWUIOM-UHFFFAOYSA-N,423.0590449
(R)-1-(3-Methoxyphenyl)ethanol,C9H12O2,C[C@H](C1=CC(=CC=C1)OC)O,"InChI=1S/C9H12O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7,10H,1-2H3/t7-/m1/s1",ZUBPFBWAXNCEOG-SSDOTTSWSA-N,152.0837296
Arisugacin A,C28H32O8,C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)C5=CC(=C(C=C5)OC)OC)O)(C(=O)C=CC3(C)C)C)O,"InChI=1S/C28H32O8/c1-24(2)10-9-22(29)26(4)27(24,31)12-11-25(3)28(26,32)15-17-20(36-25)14-19(35-23(17)30)16-7-8-18(33-5)21(13-16)34-6/h7-10,13-14,31-32H,11-12,15H2,1-6H3/t25-,26+,27-,28-/m1/s1",MIHBCQWIBJDVPX-JUDWXZBOSA-N,496.209718
N-(3-hydroxy-1-hydroxymethyl-3-phenylpropyl) dodecanamide,C22H37NO3,CCCCCCCCCCCC(=O)NC(CC(C1=CC=CC=C1)O)CO,"InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)",YCAKBKAOFSILDC-UHFFFAOYSA-N,363.277344
(R)-3-(1-(Dimethylamino)ethyl)phenol,C10H15NO,C[C@H](C1=CC(=CC=C1)O)N(C)C,"InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m1/s1",GQZXRLWUYONVCP-MRVPVSSYSA-N,165.1153641
(3E)-N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl cyanide,C10H15N3O,CO/N=C(/C#N)\C1CN2CCC1CC2,"InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10-",IQWCBYSUUOFOMF-BENRWUELSA-N,193.1215121
Akuammicine,C20H22N2O2,C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC,"InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/b12-3-/t13-,16-,20+/m0/s1",AGZMFTKKLPHOMT-DUJTVWLASA-N,322.1681279
Unii-RY1AR8DY6G,C24H27N3O2,CN1C(=O)CC2=CC3=C(C=C21)ON=C3CCC4CCN(CC4)CC5=CC=CC=C5,"InChI=1S/C24H27N3O2/c1-26-22-15-23-20(13-19(22)14-24(26)28)21(25-29-23)8-7-17-9-11-27(12-10-17)16-18-5-3-2-4-6-18/h2-6,13,15,17H,7-12,14,16H2,1H3",GBRYDMXCJVBJHH-UHFFFAOYSA-N,389.2103271
Mer-A2026A,C26H39NO3,CC1=C(NC(=CC1=O)OC)C/C=C(\C)/C/C=C/C(=C/C(C)C(/C(=C/C(C)C)/C)O)/C,"InChI=1S/C26H39NO3/c1-17(2)14-20(5)26(29)21(6)15-19(4)11-9-10-18(3)12-13-23-22(7)24(28)16-25(27-23)30-8/h9,11-12,14-17,21,26,29H,10,13H2,1-8H3,(H,27,28)/b11-9+,18-12+,19-15+,20-14+",CHFFBNSQZJTFMA-HPVRZXAJSA-N,413.2929941
1-Ethyl-3-hydroxypyridin-2(1H)-one,C7H9NO2,CCN1C=CC=C(C1=O)O,"InChI=1S/C7H9NO2/c1-2-8-5-3-4-6(9)7(8)10/h3-5,9H,2H2,1H3",PFMJLYROOSGHMN-UHFFFAOYSA-N,139.0633285
Galanthaminone,C17H19NO3,CN1CC[C@@]23C=CC(=O)C[C@@H]2OC4=C(C=CC(=C34)C1)OC,"InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1",QENVUHCAYXAROT-YOEHRIQHSA-N,285.1364935
"[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (Z,2R)-2-hydroxy-5-iodo-2-phenylpent-4-enoate",C18H22INO3,C1CN2CCC1[C@H](C2)OC(=O)[C@@](C/C=C\I)(C3=CC=CC=C3)O,"InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4-/t16-,18+/m0/s1",MMUQVFDMUDOFSH-DQMBVKLJSA-N,427.06444
M-Iodobenzyltrozamicol,C23H29IN2O,C1CN(C[C@H]([C@@H]1O)N2CCC(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)I,"InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1",UBVKSFDICLMPLH-DHIUTWEWSA-N,476.13246
Hydroxy methylphenylpyridinone,C12H11NO2,CC1=C(C(=O)C=CN1C2=CC=CC=C2)O,"InChI=1S/C12H11NO2/c1-9-12(15)11(14)7-8-13(9)10-5-3-2-4-6-10/h2-8,15H,1H3",BNXSABDYGOUQQI-UHFFFAOYSA-N,201.0789786
"6-Chloro-1,2,3,4-tetrahydroacridin-9-amine",C13H13ClN2,C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)N,"InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)",GQZMDBQRGRRPMS-UHFFFAOYSA-N,232.0767261
(-)-Debromoflustramine B,C21H30N2,CC(=CC[C@@]12CCN([C@@H]1N(C3=CC=CC=C23)CC=C(C)C)C)C,"InChI=1S/C21H30N2/c1-16(2)10-12-21-13-15-22(5)20(21)23(14-11-17(3)4)19-9-7-6-8-18(19)21/h6-11,20H,12-15H2,1-5H3/t20-,21+/m1/s1",NUWYFFDZPIGJJO-RTWAWAEBSA-N,310.240899
"5-[(E)-2-[6-(2-Fluoroethoxy)-1,3-benzoxazol-2-yl]ethenyl]-N,N-dimethyl-1,3-thiazol-2-amine",C16H16FN3O2S,CN(C)C1=NC=C(S1)/C=C/C2=NC3=C(O2)C=C(C=C3)OCCF,"InChI=1S/C16H16FN3O2S/c1-20(2)16-18-10-12(23-16)4-6-15-19-13-5-3-11(21-8-7-17)9-14(13)22-15/h3-6,9-10H,7-8H2,1-2H3/b6-4+",GSZMUPHKOPBPPS-GQCTYLIASA-N,333.0947261
Erinacine A,C25H36O6,CC(C)C1=C2C3=CC=C(C[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C=O,"InChI=1S/C25H36O6/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3/t18-,19+,21+,22-,23+,24-,25-/m1/s1",LPPCHLAEVDUIIW-NLLUTMDRSA-N,432.2511889
3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol,C12H10N4O,C1=CC2=C(C(=C1)O)C(=CN2)C3=NC(=NC=C3)N,"InChI=1S/C12H10N4O/c13-12-14-5-4-8(16-12)7-6-15-9-2-1-3-10(17)11(7)9/h1-6,15,17H,(H2,13,14,16)",SZOKTSDFOPVLFD-UHFFFAOYSA-N,226.085461
LY-411575,C26H23F2N3O4,C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)NC(=O)[C@H](C4=CC(=CC(=C4)F)F)O,"InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1",ULSSJYNJIZWPSB-CVRXJBIPSA-N,479.1656626
"3-(Dimethylaminomethyl)-5,5-diphenyloxolane",C19H23NO,CN(C)CC1CC(OC1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C19H23NO/c1-20(2)14-16-13-19(21-15-16,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3",AMVCMSPVJGQNFF-UHFFFAOYSA-N,281.1779644
"5,6-Dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one",C17H23NO3,COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC,"InChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3",PGBZORAISITZTF-UHFFFAOYSA-N,289.1677936
Sargachromenol,C27H36O4,CC1=CC(=CC2=C1OC(C=C2)(C)CC/C=C(\C)/CC/C=C(/CCC=C(C)C)\C(=O)O)O,"InChI=1S/C27H36O4/c1-19(2)9-6-12-22(26(29)30)13-7-10-20(3)11-8-15-27(5)16-14-23-18-24(28)17-21(4)25(23)31-27/h9,11,13-14,16-18,28H,6-8,10,12,15H2,1-5H3,(H,29,30)/b20-11+,22-13-",QKXAGRZCXAYBQX-WDZAAMDOSA-N,424.2613596
2-[4-(Dimethylamino)phenyl]-6-iodobenzothiazole,C15H13IN2S,CN(C)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)I,"InChI=1S/C15H13IN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3",FGQRNGPGBIJMET-UHFFFAOYSA-N,379.98442
N-P-Methoxy Cinnamoyl Serotonin,C20H20N2O3,COC1=CC=C(C=C1)/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O,"InChI=1S/C20H20N2O3/c1-25-17-6-2-14(3-7-17)4-9-20(24)21-11-10-15-13-22-19-8-5-16(23)12-18(15)19/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-4+",UXBDRKNYXUPWEL-RUDMXATFSA-N,336.1473925
"1,3,5-Tris(4-carboxyphenyl)benzene",C27H18O6,C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O,"InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)",SATWKVZGMWCXOJ-UHFFFAOYSA-N,438.1103383
5-[2-{4-[2-(3-carboxy-4-methoxyphenyl)-(E)-1-ethenyl]-2-iodophenyl}-(E)-1-ethenyl]-2-methoxybenzoic acid,C26H21IO6,COC1=C(C=C(C=C1)/C=C/C2=CC(=C(C=C2)/C=C/C3=CC(=C(C=C3)OC)C(=O)O)I)C(=O)O,"InChI=1S/C26H21IO6/c1-32-23-11-7-16(13-20(23)25(28)29)3-4-18-6-10-19(22(27)15-18)9-5-17-8-12-24(33-2)21(14-17)26(30)31/h3-15H,1-2H3,(H,28,29)(H,30,31)/b4-3+,9-5+",VBKPAELBRQCOJD-PRKJJMSOSA-N,556.03829
Xanthostigmine,C26H26N2O5,CNC(=O)OC1=CC=CC(=C1)CN(C)CCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3,"InChI=1S/C26H26N2O5/c1-27-26(30)32-20-8-5-7-18(15-20)17-28(2)13-6-14-31-19-11-12-22-24(16-19)33-23-10-4-3-9-21(23)25(22)29/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,27,30)",DNSUFPJFKSCBRT-UHFFFAOYSA-N,446.1841719
"Boc-Val-Ile[(S)-4-Amino-2,2-Difluoro-3-Oxo-Pentanoyl]-Val-Ile-OMe",C33H57F2N5O9,CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)C(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC)(F)F)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C,"InChI=1S/C33H57F2N5O9/c1-14-18(7)23(37-27(43)22(17(5)6)40-31(47)49-32(10,11)12)28(44)36-20(9)25(41)33(34,35)30(46)39-21(16(3)4)26(42)38-24(19(8)15-2)29(45)48-13/h16-24H,14-15H2,1-13H3,(H,36,44)(H,37,43)(H,38,42)(H,39,46)(H,40,47)/t18-,19-,20-,21-,22-,23-,24-/m0/s1",BZPZKKSYPNZRTG-LQDRYOBXSA-N,705.4124347
Amyloid beta-peptide(25-35),C45H81N13O14S,CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CN,"InChI=1S/C45H81N13O14S/c1-9-24(5)36(43(69)50-21-35(63)52-29(17-23(3)4)40(66)55-28(45(71)72)14-16-73-8)58-44(70)37(25(6)10-2)57-38(64)26(7)51-34(62)20-49-39(65)27(13-11-12-15-46)54-41(67)30(18-32(48)60)56-42(68)31(22-59)53-33(61)19-47/h23-31,36-37,59H,9-22,46-47H2,1-8H3,(H2,48,60)(H,49,65)(H,50,69)(H,51,62)(H,52,63)(H,53,61)(H,54,67)(H,55,66)(H,56,68)(H,57,64)(H,58,70)(H,71,72)/t24-,25-,26-,27-,28-,29-,30-,31-,36-,37-/m0/s1",WIHBNMPFWRHGDF-SLVFWPMISA-N,1059.574665
Leptomerine,C13H15NO,CCCC1=CC(=O)C2=CC=CC=C2N1C,"InChI=1S/C13H15NO/c1-3-6-10-9-13(15)11-7-4-5-8-12(11)14(10)2/h4-5,7-9H,3,6H2,1-2H3",HHCLDHNLTJDYEN-UHFFFAOYSA-N,201.1153641
"1,2-Ethanediamine, N,N-bis(2-pyridinylmethyl)-",C14H18N4,C1=CC=NC(=C1)CN(CCN)CC2=CC=CC=N2,"InChI=1S/C14H18N4/c15-7-10-18(11-13-5-1-3-8-16-13)12-14-6-2-4-9-17-14/h1-6,8-9H,7,10-12,15H2",PLMFCAGWTCKBCA-UHFFFAOYSA-N,242.1531466
Benzopentathiepin,C6H4S5,C1=CC=C2C(=C1)SSSSS2,InChI=1S/C6H4S5/c1-2-4-6-5(3-1)7-9-11-10-8-6/h1-4H,MZPMZGVDRSKLAJ-UHFFFAOYSA-N,235.891656
"1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one",C21H20O5,COC1=C(C=CC(=C1)/C=C/C=C/C(=O)/C=C/C2=CC(=C(C=C2)O)OC)O,"InChI=1S/C21H20O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h3-14,23-24H,1-2H3/b5-3+,6-4+,10-7+",JUDCTVXWYFNGQQ-FQXJPFFWSA-N,352.1310737
(R)-1-(6-Fluorobenzo[D]thiazol-2-YL)ethanamine,C9H9FN2S,C[C@H](C1=NC2=C(S1)C=C(C=C2)F)N,"InChI=1S/C9H9FN2S/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9/h2-5H,11H2,1H3/t5-/m1/s1",LMYJCUHGXCJZJF-RXMQYKEDSA-N,196.0470476
"5,6-Dihydro-6-undecyl-2H-pyran-2-one",C16H28O2,CCCCCCCCCCCC1CC=CC(=O)O1,"InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h11,14-15H,2-10,12-13H2,1H3",LIIXNZRSHIMJDW-UHFFFAOYSA-N,252.2089301
"2-Bromo-5,6-dimethoxy-indan-1-one",C11H11BrO3,COC1=C(C=C2C(=C1)CC(C2=O)Br)OC,"InChI=1S/C11H11BrO3/c1-14-9-4-6-3-8(12)11(13)7(6)5-10(9)15-2/h4-5,8H,3H2,1-2H3",NSPWDODUFKPVMO-UHFFFAOYSA-N,269.98916
Tasiamide B,C50H74N8O12,C[C@@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C)O)O,"InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39-,40-,43-/m0/s1",WFMVRFNXMBGKEW-BGGOGDBVSA-N,978.5426198
"1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole",C5H7N3,C1C2=C(CN1)NN=C2,"InChI=1S/C5H7N3/c1-4-2-7-8-5(4)3-6-1/h2,6H,1,3H2,(H,7,8)",CVRWHBCQJCUBFE-UHFFFAOYSA-N,109.0639972
alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-beta-Neup5Ac,C33H53N3O25,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)O)O,"InChI=1S/C33H53N3O25/c1-10(40)34-19-13(43)4-31(56,28(50)51)59-26(19)23(48)17(8-38)57-33(30(54)55)6-15(45)21(36-12(3)42)27(61-33)24(49)18(9-39)58-32(29(52)53)5-14(44)20(35-11(2)41)25(60-32)22(47)16(46)7-37/h13-27,37-39,43-49,56H,4-9H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,50,51)(H,52,53)(H,54,55)/t13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,31-,32+,33+/m0/s1",ZFOIZUZRBOTSMP-GHUXNPPVSA-N,891.2968142
"2-Chloropyridine-3,5-dicarbonitrile",C7H2ClN3,C1=C(C=NC(=C1C#N)Cl)C#N,"InChI=1S/C7H2ClN3/c8-7-6(3-10)1-5(2-9)4-11-7/h1,4H",WBJFCLLYTVUQHD-UHFFFAOYSA-N,162.9937248
2-benzylhexanoic Acid,C13H18O2,CCCCC(CC1=CC=CC=C1)C(=O)O,"InChI=1S/C13H18O2/c1-2-3-9-12(13(14)15)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,14,15)",NQQBWCDFWBAYBJ-UHFFFAOYSA-N,206.1306798
Xyloketal A,C27H36O6,C[C@H]1CO[C@]2([C@@H]1CC3=C4C(=C5C(=C3O2)C[C@@H]6[C@H](CO[C@@]6(O5)C)C)C[C@@H]7[C@H](CO[C@@]7(O4)C)C)C,"InChI=1S/C27H36O6/c1-13-10-28-25(4)19(13)7-16-22(31-25)17-8-20-14(2)12-30-27(20,6)33-24(17)18-9-21-15(3)11-29-26(21,5)32-23(16)18/h13-15,19-21H,7-12H2,1-6H3/t13-,14-,15-,19+,20+,21+,25+,26+,27+/m0/s1",HFZTVRRNBDAJIS-PERNPGNGSA-N,456.2511889
L-Allysine ethylene acetal,C8H15NO4,C1COC(O1)CCC[C@@H](C(=O)O)N,"InChI=1S/C8H15NO4/c9-6(8(10)11)2-1-3-7-12-4-5-13-7/h6-7H,1-5,9H2,(H,10,11)/t6-/m0/s1",RQULWPSGQYZREI-LURJTMIESA-N,189.100108
"2,11-Diaza[3.3](2,6)pyridinophane",C14H16N4,C1C2=NC(=CC=C2)CNCC3=CC=CC(=N3)CN1,"InChI=1S/C14H16N4/c1-3-11-7-15-9-13-5-2-6-14(18-13)10-16-8-12(4-1)17-11/h1-6,15-16H,7-10H2",STDMPDUDJCWBHJ-UHFFFAOYSA-N,240.1374965
Triethylene glycol dimethanesulfonate,C8H18O8S2,CS(=O)(=O)OCCOCCOCCOS(=O)(=O)C,"InChI=1S/C8H18O8S2/c1-17(9,10)15-7-5-13-3-4-14-6-8-16-18(2,11)12/h3-8H2,1-2H3",MPXIHGYFUPBCPK-UHFFFAOYSA-N,306.0443099
Ac-Phe-Phe-NH2,C20H23N3O3,CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N,"InChI=1S/C20H23N3O3/c1-14(24)22-18(13-16-10-6-3-7-11-16)20(26)23-17(19(21)25)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3,(H2,21,25)(H,22,24)(H,23,26)/t17-,18-/m0/s1",MRIDWVSVNKEVEJ-ROUUACIJSA-N,353.1739416
Plasmenylcholine,C40H81NO7P,CCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C,"InChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,35,39H,6-31,33-34,36-38H2,1-5H3/p+1/b35-32-/t39-/m1/s1",PEWXKAOBUSBJLD-MCBGMKGZSA-O,718.5750659
hyperxanthone E,C18H16O6,CC1(CCC2=C(O1)C(=CC3=C2C(=O)C4=C(C=C(C=C4O3)O)O)O)C,"InChI=1S/C18H16O6/c1-18(2)4-3-9-14-13(7-11(21)17(9)24-18)23-12-6-8(19)5-10(20)15(12)16(14)22/h5-7,19-21H,3-4H2,1-2H3",JXBWMJZDYVJVIV-UHFFFAOYSA-N,328.0946882
4'-Tryptaminoavarone,C31H38N2O2,C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C(=CC3=O)NCCC4=CNC5=CC=CC=C54)CCC=C2C)C,"InChI=1S/C31H38N2O2/c1-20-8-7-11-29-30(20,3)14-12-21(2)31(29,4)18-23-16-28(35)26(17-27(23)34)32-15-13-22-19-33-25-10-6-5-9-24(22)25/h5-6,8-10,16-17,19,21,29,32-33H,7,11-15,18H2,1-4H3/t21-,29+,30+,31+/m0/s1",LBWTVSJVKYEDFZ-SBOJCTILSA-N,470.2933285
Polygalaxanthone III,C25H28O15,COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O)O,"InChI=1S/C25H28O15/c1-36-12-2-8-11(3-9(12)27)39-13-4-10(28)15(19(31)16(13)17(8)29)22-21(33)20(32)18(30)14(40-22)5-37-24-23(34)25(35,6-26)7-38-24/h2-4,14,18,20-24,26-28,30-35H,5-7H2,1H3/t14-,18-,20+,21-,22+,23+,24-,25-/m1/s1",LLJUCXMVRPAONX-AYATVRNWSA-N,568.1428202
demethyldebromoflustramine B,C20H28N2,CC(=CCC12CCNC1N(C3=CC=CC=C23)CC=C(C)C)C,"InChI=1S/C20H28N2/c1-15(2)9-11-20-12-13-21-19(20)22(14-10-16(3)4)18-8-6-5-7-17(18)20/h5-10,19,21H,11-14H2,1-4H3",TWRZIFGLJFJQJK-UHFFFAOYSA-N,296.2252489
Azeliragon,C32H38ClN3O2,CCCCC1=NC(=CN1C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCCCN(CC)CC,"InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3",KJNNWYBAOPXVJY-UHFFFAOYSA-N,531.2652552
"6,7-Dihydro-8(5H)-indolizinone",C8H9NO,C1CC(=O)C2=CC=CN2C1,"InChI=1S/C8H9NO/c10-8-4-2-6-9-5-1-3-7(8)9/h1,3,5H,2,4,6H2",JHDCRSBRRZPACW-UHFFFAOYSA-N,135.0684139
"4-Iodobenzene-1,2-diamine",C6H7IN2,C1=CC(=C(C=C1I)N)N,"InChI=1S/C6H7IN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2",FUOSRKZBOIVBOS-UHFFFAOYSA-N,233.9654
N-Ethyl-N-methylcarbamoyl chloride,C4H8ClNO,CCN(C)C(=O)Cl,"InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3",XZVYDRLPXWFRIS-UHFFFAOYSA-N,121.0294416
"4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid",C24H21ClF3NO4S,C[C@H](C1=C(C=C(C=C1)F)CCCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl,"InChI=1S/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1",IZAOBRWCUGOKNH-OAHLLOKOSA-N,511.0831915
Posiphen,C20H23N3O2,C[C@]12CCN([C@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C,"InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m0/s1",PBHFNBQPZCRWQP-AZUAARDMSA-N,337.179027
Intepirdine,C19H19N3O2S,C1CN(CCN1)C2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=CC=C4,"InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2",JJZFWROHYSMCMU-UHFFFAOYSA-N,353.119798
"(3aR,4S,9bS)-4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide",C19H20N2O2S,CC1=CC=C(C=C1)[C@@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)S(=O)(=O)N,"InChI=1S/C19H20N2O2S/c1-12-5-7-13(8-6-12)19-16-4-2-3-15(16)17-11-14(24(20,22)23)9-10-18(17)21-19/h2-3,5-11,15-16,19,21H,4H2,1H3,(H2,20,22,23)/t15-,16+,19+/m0/s1",ZQHGDAGUSJKOSO-FRQCXROJSA-N,340.1245491
Begacestat,C9H8ClF6NO3S2,C1=C(SC(=C1)Cl)S(=O)(=O)N[C@H](CO)C(C(F)(F)F)C(F)(F)F,"InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1",PSXOKXJMVRSARX-SCSAIBSYSA-N,390.9538321
"2-Thiophenesulfonamide, 5-chloro-N-((1S)-2-ethyl-1-(hydroxymethyl)butyl)-",C11H18ClNO3S2,CCC(CC)[C@@H](CO)NS(=O)(=O)C1=CC=C(S1)Cl,"InChI=1S/C11H18ClNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t9-/m1/s1",PYZFRRVBPNGCBX-SECBINFHSA-N,311.0416635
9-Benzyl-9H-carbazol-4-ol,C19H15NO,C1=CC=C(C=C1)CN2C3=C(C4=CC=CC=C42)C(=CC=C3)O,"InChI=1S/C19H15NO/c21-18-12-6-11-17-19(18)15-9-4-5-10-16(15)20(17)13-14-7-2-1-3-8-14/h1-12,21H,13H2",JPVITKXYYHEOKO-UHFFFAOYSA-N,273.1153641
Lipocrine,C24H32ClN3OS2,C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCNC(=O)CCCCC4CCSS4,"InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)",QVGXTQPZHCDXRZ-UHFFFAOYSA-N,477.1675327
"4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzamide",C17H24N2O2,C1CC2CN(CC2C1)CCCOC3=CC=C(C=C3)C(=O)N,"InChI=1S/C17H24N2O2/c18-17(20)13-5-7-16(8-6-13)21-10-2-9-19-11-14-3-1-4-15(14)12-19/h5-8,14-15H,1-4,9-12H2,(H2,18,20)",MRNMYWNBLVJWKG-UHFFFAOYSA-N,288.183778
"1,2-Benzenediol, 3,4,6-tribromo-5-(methoxymethyl)-",C8H7Br3O3,COCC1=C(C(=C(C(=C1Br)Br)O)O)Br,"InChI=1S/C8H7Br3O3/c1-14-2-3-4(9)6(11)8(13)7(12)5(3)10/h12-13H,2H2,1H3",DDCGTIAYZULVGZ-UHFFFAOYSA-N,389.79248
"4-[(1E,3E)-4-(1H-benzimidazol-2-yl)buta-1,3-dienyl]-N-methylaniline",C18H17N3,CNC1=CC=C(C=C1)/C=C/C=C/C2=NC3=CC=CC=C3N2,"InChI=1S/C18H17N3/c1-19-15-12-10-14(11-13-15)6-2-5-9-18-20-16-7-3-4-8-17(16)21-18/h2-13,19H,1H3,(H,20,21)/b6-2+,9-5+",OQQYMWSOXICWBY-VDESZNBCSA-N,275.1422476
Verubulin,C17H17N3O,CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC,"InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3",SNHCRNMVYDHVDT-UHFFFAOYSA-N,279.1371622
Symplocosidin,C16H16O6,COC1=C(C=CC(=C1)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)O)O,"InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1",NJHJXXLBWQXMRO-CZUORRHYSA-N,304.0946882
Sargachromanol I,C27H40O4,CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CCCC(C)C(=O)[C@@H](C=C(C)C)O)O,"InChI=1S/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10,15-17,20,24,28-29H,7-9,11-14H2,1-6H3/b19-10+/t20?,24-,27-/m1/s1",SARNJEPZDCTAHR-ZAGCOSOKSA-N,428.2926598
CID 11452543,C23H37NO5,CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)COC,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1",RBSZCNOWHDHRFZ-VHNKBEDGSA-N,407.2671733
"5-[[12-[[(3S,3aR,4S,6S,6aR,7S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-7-octanoyloxy-2,8-dioxo-5,6a,7,9b-tetrahydro-4H-azuleno[4,5-b]furan-4-yl]oxy]-12-oxododecyl]amino]-2-amino-5-oxopentanoic acid",C42H66N2O14,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C(C1=O)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)CCC(C(=O)O)N)([C@](C(=O)O3)(C)O)O,"InChI=1S/C42H66N2O14/c1-6-7-8-14-17-21-32(48)56-36-34-33(26(2)35(36)49)37-42(54,41(5,53)39(52)57-37)29(25-40(34,4)58-27(3)45)55-31(47)20-18-15-12-10-9-11-13-16-19-24-44-30(46)23-22-28(43)38(50)51/h28-29,34,36-37,53-54H,6-25,43H2,1-5H3,(H,44,46)(H,50,51)/t28?,29-,34+,36-,37-,40-,41+,42+/m0/s1",WSISVGWHSKNHQQ-JEWAQKBPSA-N,822.4514048
"5,11-Methanomorphanthridine",C16H17NO2,C1CC=C2[C@H](C1)N3C[C@H]2C4=CC5=C(C=C4C3)OCO5,"InChI=1S/C16H17NO2/c1-2-4-14-11(3-1)13-8-17(14)7-10-5-15-16(6-12(10)13)19-9-18-15/h3,5-6,13-14H,1-2,4,7-9H2/t13-,14+/m1/s1",WBDGWBVYYLCRSK-KGLIPLIRSA-N,255.1259288
2-Hydrazinylquinazoline,C8H8N4,C1=CC=C2C(=C1)C=NC(=N2)NN,"InChI=1S/C8H8N4/c9-12-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,9H2,(H,10,11,12)",SGMABXRSPZLOPP-UHFFFAOYSA-N,160.0748963
Kiancdmzgqmial-uhfffaoysa-,C9H11NO2,C1CC(=O)C2=CC=C(N2C1)CO,"InChI=1S/C9H11NO2/c11-6-7-3-4-8-9(12)2-1-5-10(7)8/h3-4,11H,1-2,5-6H2",KIANCDMZGQMIAL-UHFFFAOYSA-N,165.0789786
Dimethoxyindanone,C11H12O3,COC1(CC2=CC=CC=C2C1=O)OC,"InChI=1S/C11H12O3/c1-13-11(14-2)7-8-5-3-4-6-9(8)10(11)12/h3-6H,7H2,1-2H3",VXIUQBQARXJTPN-UHFFFAOYSA-N,192.0786442
Florbetaben F-18,C21H26FNO3,CNC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCCOCCOCC[18F],"InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1",NCWZOASIUQVOFA-FWZJPQCDSA-N,358.192206
garsubellin A,C30H44O5,CC(C)C(=O)[C@]12C(=O)C(=C3[C@](C1=O)(C[C@@H](C2(C)C)CC=C(C)C)C[C@H](O3)C(C)(C)O)CC=C(C)C,"InChI=1S/C30H44O5/c1-17(2)11-13-20-15-29-16-22(28(9,10)34)35-25(29)21(14-12-18(3)4)24(32)30(26(29)33,27(20,7)8)23(31)19(5)6/h11-12,19-20,22,34H,13-16H2,1-10H3/t20-,22-,29-,30-/m0/s1",UWZUPSXSBAFYHU-CZDCCFESSA-N,484.3188745
"Thieno[3,2-c]quinolin-4(5H)-one",C11H7NOS,C1=CC=C2C(=C1)C3=C(C=CS3)C(=O)N2,"InChI=1S/C11H7NOS/c13-11-8-5-6-14-10(8)7-3-1-2-4-9(7)12-11/h1-6H,(H,12,13)",DSNJDLWXDIHPKN-UHFFFAOYSA-N,201.024835
5-[(4-Hydroxyphenyl)methyl]oxolan-2-one,C11H12O3,C1CC(=O)OC1CC2=CC=C(C=C2)O,"InChI=1S/C11H12O3/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-4,10,12H,5-7H2",OXASBXALVLRTKO-UHFFFAOYSA-N,192.0786442
"3,4-dihydroxyclerodan-13E-en-15-oic acid",C20H34O4,C[C@@H]1CC[C@@]2([C@H]([C@]1(C)CC/C(=C/C(=O)O)/C)CC[C@@H]([C@@]2(C)O)O)C,"InChI=1S/C20H34O4/c1-13(12-17(22)23)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16(21)20(19,5)24/h12,14-16,21,24H,6-11H2,1-5H3,(H,22,23)/b13-12+/t14-,15+,16+,18-,19-,20-/m1/s1",JWWWAEIMVGEDRK-NLZYYNFASA-N,338.2457096
"N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide",C19H17ClF5NO4S2,C1CC(CCC1NS(=O)(=O)C(F)(F)F)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl,"InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2",WDZVWDXOIGQJIO-UHFFFAOYSA-N,517.0207689
"3,4-epoxyclerodan-13E-en-15-oic acid",C20H32O3,C[C@H]1CC[C@]2([C@@H]([C@]1(C)CC/C(=C/C(=O)O)/C)CC[C@@H]3[C@]2(O3)C)C,"InChI=1S/C20H32O3/c1-13(12-17(21)22)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16-20(19,5)23-16/h12,14-16H,6-11H2,1-5H3,(H,21,22)/b13-12+/t14-,15+,16+,18+,19-,20+/m0/s1",ZIERSMJBWUDONC-XYHGBDLASA-N,320.2351449
2-[4-(4-[18F]Fluorobutyl)benzylsulfanyl]-3-methylchromene-4-one,C21H21FO2S,CC1=C(OC2=CC=CC=C2C1=O)SCC3=CC=C(C=C3)CCCC[18F],"InChI=1S/C21H21FO2S/c1-15-20(23)18-7-2-3-8-19(18)24-21(15)25-14-17-11-9-16(10-12-17)6-4-5-13-22/h2-3,7-12H,4-6,13-14H2,1H3/i22-1",FSZGSKABPZYZBS-KVTPGWOSSA-N,355.127163
"3,4-dihydroxyclerodan-13Z-en-15-oic acid",C20H34O4,C[C@H]1CC[C@@]2([C@H]([C@]1(C)CC/C(=C\C(=O)O)/C)CC[C@H]([C@@]2(C)O)O)C,"InChI=1S/C20H34O4/c1-13(12-17(22)23)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16(21)20(19,5)24/h12,14-16,21,24H,6-11H2,1-5H3,(H,22,23)/b13-12-/t14-,15-,16+,18+,19+,20+/m0/s1",JWWWAEIMVGEDRK-DWZNYUOSSA-N,338.2457096
Benzofuran-5-ol,C8H6O2,C1=CC2=C(C=CO2)C=C1O,"InChI=1S/C8H6O2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,9H",IZFOPMSVNDORMZ-UHFFFAOYSA-N,134.0367794
"N,N-Dimethyl-l-leucine",C8H17NO2,CC(C)C[C@@H](C(=O)O)N(C)C,"InChI=1S/C8H17NO2/c1-6(2)5-7(8(10)11)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)/t7-/m0/s1",FZLYRJBAUQHHIH-ZETCQYMHSA-N,159.1259288
4-[[2-Methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoyl]amino]adamantane-1-carboxamide,C25H34F3N5O2,CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F,"InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)",CLHMYBJIOZXCEX-UHFFFAOYSA-N,493.2664598
"4-((5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl)piperidine",C17H25NO2,COC1=C(C=C2CC(CC2=C1)CC3CCNCC3)OC,"InChI=1S/C17H25NO2/c1-19-16-10-14-8-13(7-12-3-5-18-6-4-12)9-15(14)11-17(16)20-2/h10-13,18H,3-9H2,1-2H3",RNBBLVXYZVHLNP-UHFFFAOYSA-N,275.188529
Genameside C,C23H34O15,COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,"InChI=1S/C23H34O15/c1-33-20(32)10-7-34-21(13-8(4-24)2-3-9(10)13)38-23-18(31)16(29)19(12(6-26)36-23)37-22-17(30)15(28)14(27)11(5-25)35-22/h2,7,9,11-19,21-31H,3-6H2,1H3/t9-,11-,12-,13-,14-,15+,16-,17-,18-,19-,21+,22+,23+/m1/s1",JRYVBZDSFXDJAN-NWTASXAMSA-N,550.1897704
3-(3-Fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline,C20H20FN3O2S,[11CH3]N1CCN(CC1)C2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=CC(=C4)F,"InChI=1S/C20H20FN3O2S/c1-23-8-10-24(11-9-23)19-7-2-4-15-12-18(14-22-20(15)19)27(25,26)17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3/i1-1",PXVJEDOZGDZJQY-BJUDXGSMSA-N,384.1374588
Serotobenine,C20H18N2O4,COC1=C(C=CC(=C1)[C@@H]2[C@@H]3C4=C(O2)C=CC5=C4C(=CN5)CCNC3=O)O,"InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24)/t18-,19+/m0/s1",GEJUXZYANAYHRZ-RBUKOAKNSA-N,350.1266571
"6-Benzyl-4-oxo-1,4-dihydropyridine-3-carboxamide",C13H12N2O2,C1=CC=C(C=C1)CC2=CC(=O)C(=CN2)C(=O)N,"InChI=1S/C13H12N2O2/c14-13(17)11-8-15-10(7-12(11)16)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,17)(H,15,16)",RUUZDCZRFRLJFC-UHFFFAOYSA-N,228.0898776
Galanthamine N-Oxide,C17H21NO4,C[N+]1(CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)[O-],"InChI=1S/C17H21NO4/c1-18(20)8-7-17-6-5-12(19)9-14(17)22-16-13(21-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-,18?/m0/s1",LROQBKNDGTWXET-FVWDGWMTSA-N,303.1470582
"Benzenamine, N-methyl-4-(2-quinolinyl)-",C16H14N2,CNC1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2,"InChI=1S/C16H14N2/c1-17-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)18-16/h2-11,17H,1H3",SLVJLLSYTZXMFL-UHFFFAOYSA-N,234.1156985
"(+)-Ar,11S-Myricanol",C21H26O5,COC1=C2C=C(CCCC[C@@H](CCC3=CC2=C(C=C3)O)O)C(=C1OC)O,"InChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3/t15-/m0/s1",SBGBAZQAEOWGFT-HNNXBMFYSA-N,358.1780239
"(1S,13S,16R,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol",C18H21NO5,CN1C[C@@]2([C@]3([C@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O,"InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16-,17+,18-/m1/s1",YLWAQARRNQVEHD-GQAVTEOGSA-N,331.1419728
"2',8'-Biapigenin",C30H18O10,C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)O)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O,"InChI=1S/C30H18O10/c31-14-3-1-13(2-4-14)24-11-23(38)29-21(36)10-20(35)27(30(29)40-24)18-7-15(32)5-6-17(18)25-12-22(37)28-19(34)8-16(33)9-26(28)39-25/h1-12,31-36H",IDXPHFRRYHNPFG-UHFFFAOYSA-N,538.0899968
"N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-2H-tetrazole-5-carboxamide",C33H44N14O6,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC=CC(=C2)C3=NNN=N3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)C4=NNN=N4)N,"InChI=1S/C33H44N14O6/c1-17(2)13-24(38-31(51)25(18(3)4)39-29(49)22(34)16-35-33(53)28-42-46-47-43-28)30(50)37-23(14-19-9-6-5-7-10-19)26(48)32(52)36-21-12-8-11-20(15-21)27-40-44-45-41-27/h5-12,15,17-18,22-26,48H,13-14,16,34H2,1-4H3,(H,35,53)(H,36,52)(H,37,50)(H,38,51)(H,39,49)(H,40,41,44,45)(H,42,43,46,47)/t22-,23-,24-,25-,26+/m0/s1",FWQPAHHKYLASJX-WBAQKLHDSA-N,732.3568252
"3-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide",C36H42N4O6S,CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CC(=CC=C4)OC)O,"InChI=1S/C36H42N4O6S/c1-25(28-15-9-6-10-16-28)38-35(42)29-20-30(22-31(21-29)40(2)47(4,44)45)36(43)39-33(19-26-12-7-5-8-13-26)34(41)24-37-23-27-14-11-17-32(18-27)46-3/h5-18,20-22,25,33-34,37,41H,19,23-24H2,1-4H3,(H,38,42)(H,39,43)",HIQWWDCRULXYDF-UHFFFAOYSA-N,658.2825063
(3-Sinapoyl)fructofuranosyl-(6-sinapoyl)glucopyranoside,C34H42O19,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)CO)O)O)O,"InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30+,31-,32+,33-,34+/m1/s1",FHIJMQWMMZEFBL-OPSYHMPNSA-N,754.2320291
alpha-Glucogallin,C13H16O10,C1=C(C=C(C(=C1O)O)O)C(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13-/m1/s1",GDVRUDXLQBVIKP-JEUROIALSA-N,332.0743467
Voachalotine,C22H26N2O3,C/C=C\1/CN2[C@@H]3CC4=C(C2C[C@H]1C3(CO)C(=O)OC)N(C5=CC=CC=C45)C,"InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-/t16-,18?,19-,22?/m1/s1",IWEYXWIPVZEVPT-KYGPYXCFSA-N,366.1943427
"4(3H)-Quinazolinone, 3-(4-((1-cyclobutyl-4-piperidinyl)oxy)phenyl)-2-methyl-5-(trifluoromethyl)-",C25H26F3N3O2,CC1=NC2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)OC4CCN(CC4)C5CCC5)C(F)(F)F,"InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3",ZWUFGBNOUKQGBR-UHFFFAOYSA-N,457.1977116
Methoxyphenyl carbamate,C8H9NO3,COC1=CC=CC=C1OC(=O)N,"InChI=1S/C8H9NO3/c1-11-6-4-2-3-5-7(6)12-8(9)10/h2-5H,1H3,(H2,9,10)",GAIKMRZQIUTWPW-UHFFFAOYSA-N,167.0582431
Nepetidin,C30H50O3,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3C[C@H]([C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H](C[C@@H](C5(C)C)O)O)C)C)O)C,"InChI=1S/C30H50O3/c1-17(2)18-9-11-27(5)13-14-28(6)19(24(18)27)15-20(31)25-29(28,7)12-10-21-26(3,4)22(32)16-23(33)30(21,25)8/h18-25,31-33H,1,9-16H2,2-8H3/t18-,19+,20+,21-,22-,23+,24+,25-,27+,28+,29+,30+/m0/s1",ZTOJWRKUTVFORP-AMZTXIEOSA-N,458.3759955
Trimethylsilylpropionic acid,C6H14O2Si,CC(C(=O)O)[Si](C)(C)C,"InChI=1S/C6H14O2Si/c1-5(6(7)8)9(2,3)4/h5H,1-4H3,(H,7,8)",HRQDDZWMEGEOOO-UHFFFAOYSA-N,146.0763062
"Benzo[1,2-b:3,4-b']difuran",C10H6O2,C1=CC2=C(C=CO2)C3=C1C=CO3,InChI=1S/C10H6O2/c1-2-9-8(4-6-11-9)10-7(1)3-5-12-10/h1-6H,WFHVNZAOVUPMPC-UHFFFAOYSA-N,158.0367794
Dihydropriverogenin A,C30H50O4,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(C[C@@H]5O)(C)C)CO)O)C)C)(C)C)O,"InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24+,27-,28+,29+,30+/m0/s1",CTNHZEZBBGIUJB-HRQAAHFGSA-N,474.3709101
24-Hydroxycholesterol,C27H46O2,C[C@H](CCC(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1",IOWMKBFJCNLRTC-GHMQSXNDSA-N,402.3497807
Corycavamine,C21H21NO5,C[C@@H]1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5,"InChI=1S/C21H21NO5/c1-12-14-3-4-17-21(27-11-24-17)16(14)9-22(2)6-5-13-7-18-19(26-10-25-18)8-15(13)20(12)23/h3-4,7-8,12H,5-6,9-11H2,1-2H3/t12-/m1/s1",WOLWLEQYUFDNTA-GFCCVEGCSA-N,367.1419728
"methyl (Z)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate",C22H28N2O4,CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C/OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13-/t14-,15-,19-,22-/m0/s1",DAXYUDFNWXHGBE-HLKYYGKDSA-N,384.2049074
"methyl (Z)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate",C22H28N2O4,CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=C/OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13-/t14-,15-,19-,22+/m0/s1",DAXYUDFNWXHGBE-YCBKVTMHSA-N,384.2049074
Isotalatizidine,C23H37NO5,CCN1C[C@@]2(CC[C@@H]([C@@]34[C@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@H]4[C@H]5[C@H]6O)OC)O)O)COC,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,18+,19+,20?,21+,22+,23-/m1/s1",RBSZCNOWHDHRFZ-ICBMBHMZSA-N,407.2671733
Apetalactone,C30H50O3,C[C@@H]1[C@]2(CC[C@H]3[C@]([C@@H]2CCC(=O)O1)(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)C)C,"InChI=1S/C30H50O3/c1-20-26(4)11-10-22-27(5,21(26)8-9-24(32)33-20)13-14-29(7)23-18-25(2,3)12-16-30(23,19-31)17-15-28(22,29)6/h20-23,31H,8-19H2,1-7H3/t20-,21-,22+,23+,26-,27+,28-,29+,30-/m1/s1",BWYZTOBVTZACSG-QOAFEPIISA-N,458.3759955
Anahygrine,C13H24N2O,CN1CCCC1CC(=O)CC2CCCCN2,"InChI=1S/C13H24N2O/c1-15-8-4-6-12(15)10-13(16)9-11-5-2-3-7-14-11/h11-12,14H,2-10H2,1H3",FONWOVFPQFNSTJ-UHFFFAOYSA-N,224.1888634
Lythrancine II,C29H37NO6,CC(=O)O[C@@H]1CCC2=CC(=C(C=C2)OC)C3=C(C=CC(=C3)[C@H]4C[C@H]([C@H]([C@H]5N4[C@H](C1)CCC5)O)O)OC,"InChI=1S/C29H37NO6/c1-17(31)36-21-10-7-18-8-11-27(34-2)22(13-18)23-14-19(9-12-28(23)35-3)25-16-26(32)29(33)24-6-4-5-20(15-21)30(24)25/h8-9,11-14,20-21,24-26,29,32-33H,4-7,10,15-16H2,1-3H3/t20-,21+,24-,25+,26+,29-/m0/s1",PHZITYJHCYPBFZ-GYALGIFXSA-N,495.2620879
Oxazine,C4H5NO,C1=CNOC=C1,InChI=1S/C4H5NO/c1-2-4-6-5-3-1/h1-5H,BCHZICNRHXRCHY-UHFFFAOYSA-N,83.03711378
N-Phenyl-2-aminothiazole,C9H8N2S,C1=CC=C(C=C1)NC2=NC=CS2,"InChI=1S/C9H8N2S/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h1-7H,(H,10,11)",OGVGQYZRJXSMGC-UHFFFAOYSA-N,176.0408194
"Benzo[h][1,6]naphthyridine",C12H8N2,C1=CC=C2C(=C1)C3=C(C=CC=N3)C=N2,InChI=1S/C12H8N2/c1-2-6-11-10(5-1)12-9(8-14-11)4-3-7-13-12/h1-8H,DXWXJWBEPBDZMZ-UHFFFAOYSA-N,180.0687483
Thalictricavine,C21H23NO4,C[C@@H]1[C@@H]2C3=CC4=C(C=C3CCN2CC5=C1C=CC(=C5OC)OC)OCO4,"InChI=1S/C21H23NO4/c1-12-14-4-5-17(23-2)21(24-3)16(14)10-22-7-6-13-8-18-19(26-11-25-18)9-15(13)20(12)22/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3/t12-,20+/m0/s1",LPKAAKHLNGEZJC-FKIZINRSSA-N,353.1627082
Voachalotin,C22H26N2O3,C/C=C\1/CN2[C@H]3C[C@@H]1[C@@]([C@@H]2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC,"InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-/t16-,18-,19-,22+/m0/s1",IWEYXWIPVZEVPT-VQVRLUHXSA-N,366.1943427
Dihydroquinazoline,C8H8N2,C1NC2=CC=CC=C2C=N1,"InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5,10H,6H2",NTURVSFTOYPGON-UHFFFAOYSA-N,132.0687483
wettstein A,C13H12O4,COC1=C(C2=C(C3=CC=CC=C31)OCO2)OC,"InChI=1S/C13H12O4/c1-14-10-8-5-3-4-6-9(8)11-13(12(10)15-2)17-7-16-11/h3-6H,7H2,1-2H3",JRTKQSYUDQVSHV-UHFFFAOYSA-N,232.0735589
"2-Anilino-5-phenyl-1,3,4-oxadiazole",C14H11N3O,C1=CC=C(C=C1)C2=NN=C(O2)NC3=CC=CC=C3,"InChI=1S/C14H11N3O/c1-3-7-11(8-4-1)13-16-17-14(18-13)15-12-9-5-2-6-10-12/h1-10H,(H,15,17)",MMNOHGHVARTVLG-UHFFFAOYSA-N,237.090212
N-(1-benzylpiperidin-4-yl)acetamide,C14H20N2O,CC(=O)NC1CCN(CC1)CC2=CC=CC=C2,"InChI=1S/C14H20N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,15,17)",PXKZVCOKJFOTQY-UHFFFAOYSA-N,232.1575633
Cyclodecatriene,C10H14,C1C/C=C\C=C/C=C\CC1,"InChI=1S/C10H14/c1-2-4-6-8-10-9-7-5-3-1/h1-6H,7-10H2/b2-1-,5-3-,6-4-",TXZNVWGSLKSTDH-XCADPSHZSA-N,134.1095504
3-Methoxyphenyl,C7H7O,COC1=CC=C[C]=C1,"InChI=1S/C7H7O/c1-8-7-5-3-2-4-6-7/h2-3,5-6H,1H3",JIQNWFBLYKVZFY-UHFFFAOYSA-N,107.0496898
3-Quinuclidinyl 4-fluoro-benzilate,C21H22FNO3,C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)F)O,"InChI=1S/C21H22FNO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2",RJPAZWDGQKZNNL-UHFFFAOYSA-N,355.1583717
trans-Pinocarvyl acetate,C12H18O2,CC(=O)O[C@@H]1C[C@@H]2C[C@H](C1=C)C2(C)C,"InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11+/m0/s1",UDBAGFUFASPUFS-HBNTYKKESA-N,194.1306798
Tyrosine betaine,C12H18NO3,C[N+](C)(C)C(CC1=CC=C(C=C1)O)C(=O)O,"InChI=1S/C12H17NO3/c1-13(2,3)11(12(15)16)8-9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H-,14,15,16)/p+1",KDVBLCRQNNLSIV-UHFFFAOYSA-O,224.1286684
Phenylimino 2h chromene,C15H11NO,C1=CC=C(C=C1)N=C2C=CC3=CC=CC=C3O2,InChI=1S/C15H11NO/c1-2-7-13(8-3-1)16-15-11-10-12-6-4-5-9-14(12)17-15/h1-11H,JXDHCWDSRZJWPB-UHFFFAOYSA-N,221.084064
2-Fluoro-1H-benzimidazole,C7H5FN2,C1=CC=C2C(=C1)NC(=N2)F,"InChI=1S/C7H5FN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)",XLQNWWNMESYKTB-UHFFFAOYSA-N,136.0436763
Gentiobioside,C13H24O11,CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O,"InChI=1S/C13H24O11/c1-21-12-10(19)9(18)7(16)5(24-12)3-22-13-11(20)8(17)6(15)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13-/m1/s1",ZQPVHVKWCGZNDW-NVYKSAHZSA-N,356.1318616
3-(Acetylsulfanyl)-2-[(acetylsulfanyl)methyl]propanoic acid,C8H12O4S2,CC(=O)SCC(CSC(=O)C)C(=O)O,"InChI=1S/C8H12O4S2/c1-5(9)13-3-7(8(11)12)4-14-6(2)10/h7H,3-4H2,1-2H3,(H,11,12)",JHFBRMLJWPWYEX-UHFFFAOYSA-N,236.0177012
1-Methyl-4-[4-(dimethylamino)phenyl]pyridinium,C14H17N2,C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)N(C)C,"InChI=1S/C14H17N2/c1-15(2)14-6-4-12(5-7-14)13-8-10-16(3)11-9-13/h4-11H,1-3H3/q+1",STISAGSIGFOUGZ-UHFFFAOYSA-N,213.1391736
1H-Azonine,C8H9N,C1=CC=CNC=CC=C1,InChI=1S/C8H9N/c1-2-4-6-8-9-7-5-3-1/h1-9H,HWGJWYNMDPTGTD-UHFFFAOYSA-N,119.0734993
"2,4-Dimethyl-5-oxo-5,6-dihydrobenzo[c][2,7]naphthyridine-1-carboxylic acid methyl ester",C16H14N2O3,CC1=C2C(=C(C(=N1)C)C(=O)OC)C3=CC=CC=C3NC2=O,"InChI=1S/C16H14N2O3/c1-8-12-14(13(9(2)17-8)16(20)21-3)10-6-4-5-7-11(10)18-15(12)19/h4-7H,1-3H3,(H,18,19)",GKRYSUZXCCOHLM-UHFFFAOYSA-N,282.1004423
"N,N'-dibenzyl-dodecane-1,12-diamine",C26H40N2,C1=CC=C(C=C1)CNCCCCCCCCCCCCNCC2=CC=CC=C2,"InChI=1S/C26H40N2/c1(3-5-7-15-21-27-23-25-17-11-9-12-18-25)2-4-6-8-16-22-28-24-26-19-13-10-14-20-26/h9-14,17-20,27-28H,1-8,15-16,21-24H2",MGSDZSWJTRHFLI-UHFFFAOYSA-N,380.3191493
2-(2-Fluorophenyl)piperazine,C10H13FN2,C1CNC(CN1)C2=CC=CC=C2F,"InChI=1S/C10H13FN2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2",JMLSZQAVDKFFCE-UHFFFAOYSA-N,180.1062766
CID 13844278,C23H30O6,C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)OC)OC)OC)O)OC)OC,"InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m1/s1",FYSHYFPJBONYCQ-OLZOCXBDSA-N,402.2042387
"[2,4,6-Tri(propan-2-yl)phenyl]phosphonic dichloride",C15H23Cl2OP,CC(C)C1=CC(=C(C(=C1)C(C)C)P(=O)(Cl)Cl)C(C)C,"InChI=1S/C15H23Cl2OP/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3",WUEAMTVQNGYLRI-UHFFFAOYSA-N,320.0863577
2-Oxo-kolavenic acid,C20H30O3,C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/C(=O)O)/C)CC(=O)C=C2C)C,"InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17-,19+,20+/m1/s1",SLMFLTPPPXRYHP-OHGCEXCKSA-N,318.2194948
Akebonic Acid,C29H44O3,C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(=C)CC5)C(=O)O)C)C)(C)C)O,"InChI=1S/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,20-23,30H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1",XWVVPZWKCNXREE-VSQYQUPVSA-N,440.3290453
Bonducellin,C17H14O4,COC1=CC=C(C=C1)/C=C/2\COC3=C(C2=O)C=CC(=C3)O,"InChI=1S/C17H14O4/c1-20-14-5-2-11(3-6-14)8-12-10-21-16-9-13(18)4-7-15(16)17(12)19/h2-9,18H,10H2,1H3/b12-8+",DLQSYZMPSWHYMW-XYOKQWHBSA-N,282.0892089
"4,4',8,8'-Tetramethoxy[1,1'-biphenanthrene]-2,2',7,7'-tetrol",C32H26O8,COC1=C2C3=C(C=CC2=C(C(=C1)O)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6OC)O)C(=C(C=C3)O)OC,"InChI=1S/C32H26O8/c1-37-25-13-23(35)29(19-7-5-17-15(27(19)25)9-11-21(33)31(17)39-3)30-20-8-6-18-16(10-12-22(34)32(18)40-4)28(20)26(38-2)14-24(30)36/h5-14,33-36H,1-4H3",PHYSWDUDIPIMOO-UHFFFAOYSA-N,538.1627678
Epicatechin 3-glucoside,C21H24O11,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O,"InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2",YOVYWMDLYSJYPO-UHFFFAOYSA-N,452.1318616
Saringosterol,C29H48O2,C[C@H](CCC(C=C)(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,"InChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29?/m1/s1",OPGVEUGCNGNPSX-SVSQYMGHSA-N,428.3654308
Racemoflavone,C21H18O6,CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)C,"InChI=1S/C21H18O6/c1-21(2)7-6-12-17(27-21)10-15(24)19-14(23)9-16(26-20(12)19)11-4-5-13(22)18(8-11)25-3/h4-10,22,24H,1-3H3",AGOMJPUUTGWSSH-UHFFFAOYSA-N,366.1103383
"16alpha-Hydroxyandrost-1,4-dien-3,17-dione",C19H24O3,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=CC(=O)C=C[C@]34C,"InChI=1S/C19H24O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h5,7,9,13-16,21H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1",LBQYQKHFIRJROO-NBBHSKLNSA-N,300.1725446
Glaucocalyxin B,C22H30O5,CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1([C@@H](C[C@H]4[C@]3(CCC(=O)C4(C)C)C)O)C(=O)C2=C,"InChI=1S/C22H30O5/c1-11-13-6-7-14-21(5)9-8-16(24)20(3,4)15(21)10-17(25)22(14,18(11)26)19(13)27-12(2)23/h13-15,17,19,25H,1,6-10H2,2-5H3/t13-,14-,15+,17+,19+,21-,22-/m0/s1",LSUXOKVMORWDLT-KEXKRWMXSA-N,374.2093241
"Pyridazine, 4-nitro-",C4H3N3O2,C1=CN=NC=C1[N+](=O)[O-],InChI=1S/C4H3N3O2/c8-7(9)4-1-2-5-6-3-4/h1-3H,IKASFIMUPSVCMG-UHFFFAOYSA-N,125.0225263
meso-hexamethyl propylene amine oxime (meso-HMPAO),C13H28N4O2,C[C@@H](NCC(CN[C@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C,"InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10+",BPNZYADGDZPRTK-DKTDWWBYSA-N,272.2212262
"3,3'-Dioctadecyl-1,1'-methylenebis(4,1-phenylene)diurea",C51H88N4O2,CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCCCCCCCCCCCCCCCC,"InChI=1S/C51H88N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-52-50(56)54-48-39-35-46(36-40-48)45-47-37-41-49(42-38-47)55-51(57)53-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42H,3-34,43-45H2,1-2H3,(H2,52,54,56)(H2,53,55,57)",IHBLBMDDUQOYLA-UHFFFAOYSA-N,788.6907281
4-((Diethylamino)methyl)phenol,C11H17NO,CCN(CC)CC1=CC=C(C=C1)O,"InChI=1S/C11H17NO/c1-3-12(4-2)9-10-5-7-11(13)8-6-10/h5-8,13H,3-4,9H2,1-2H3",MAFHOFLRHFJFSE-UHFFFAOYSA-N,179.1310142
Amino butyrate,C4H9NO2,CCCC(=O)ON,"InChI=1S/C4H9NO2/c1-2-3-4(6)7-5/h2-3,5H2,1H3",SDBCCDNTZKHGBJ-UHFFFAOYSA-N,103.0633285
6-(2-methoxyphenyl)pyridazin-3(2H)-one,C11H10N2O2,COC1=CC=CC=C1C2=NNC(=O)C=C2,"InChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-8(10)9-6-7-11(14)13-12-9/h2-7H,1H3,(H,13,14)",PCAXLMOUJSXNST-UHFFFAOYSA-N,202.0742276
Cryptocapsin,C40H56O2,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(C[C@H](CC2(C)C)O)C)/C)/C,"InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t35-,40-/m0/s1",ITZNDVRDABSNRE-VUWSZMCHSA-N,568.428031
"1,2,3,4-Tetrahydro-1,9-acridinediamine",C13H15N3,C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)N,"InChI=1S/C13H15N3/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-2,4,6,9H,3,5,7,14H2,(H2,15,16)",BLRDSHCRFJBEAI-UHFFFAOYSA-N,213.1265975
6-o-Desmethyldonepezil,C23H27NO3,COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)O,"InChI=1S/C23H27NO3/c1-27-22-13-18-12-19(23(26)20(18)14-21(22)25)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3",DJRBBQJREIMIEU-UHFFFAOYSA-N,365.1990937
Floribundic acid,C20H24O5,C[C@@]12CC[C@@H]3C(=O)O[C@@H](C[C@]3([C@@H]1CCC=C2C(=O)O)C)C4=COC=C4,"InChI=1S/C20H24O5/c1-19-8-6-14-18(23)25-15(12-7-9-24-11-12)10-20(14,2)16(19)5-3-4-13(19)17(21)22/h4,7,9,11,14-16H,3,5-6,8,10H2,1-2H3,(H,21,22)/t14-,15+,16-,19+,20-/m1/s1",HIDTYMFIVRETDY-VQEGESQYSA-N,344.1623739
Delt-II,C38H54N8O10,C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N,"InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1",NUNBRHVOPFWRRG-LJXGPVSSSA-N,782.39629
coumaroyl(3-OMe)(-3)Hex2ulof(?2-1?)Hex,C22H30O14,COC1=C(C=CC(=C1)/C=C/C(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O,"InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3/b5-3+",ZPEADZHVGOCGKH-HWKANZROSA-N,518.1635556
"(1R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane",C11H13ClN2,C1C[C@@H]2C(C[C@H]1N2)C3=CN=C(C=C3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9?,10+/m0/s1",NLPRAJRHRHZCQQ-DJBFQZMMSA-N,208.0767261
NF-kB Activation Inhibitor IV,C15H13FO,COC1=CC=C(C=C1)/C=C/C2=CC=CC=C2F,"InChI=1S/C15H13FO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-11H,1H3/b9-6+",ILVFNAZMSMNXJG-RMKNXTFCSA-N,228.0950432
"1,3,6,7-Tetrahydroxy-8-prenylxanthone",C18H16O6,CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C,"InChI=1S/C18H16O6/c1-8(2)3-4-10-15-14(7-12(21)17(10)22)24-13-6-9(19)5-11(20)16(13)18(15)23/h3,5-7,19-22H,4H2,1-2H3",XRUKGBABAGTMIR-UHFFFAOYSA-N,328.0946882
Iminochromene,C9H7NO,C1=CC=C2C(=C1)C=CC(=N)O2,"InChI=1S/C9H7NO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6,10H",WUVFAMRFBRHSQW-UHFFFAOYSA-N,145.0527638
"1,2,3,4-Tetrahydro-benzo[b][1,6]-naphthyridine",C12H12N2,C1CNCC2=CC3=CC=CC=C3N=C21,"InChI=1S/C12H12N2/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)14-11/h1-4,7,13H,5-6,8H2",KEBHBZCUFVQLRA-UHFFFAOYSA-N,184.1000484
"2H-1,3-Oxazine",C4H5NO,C1N=CC=CO1,"InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h1-3H,4H2",KGWNRZLPXLBMPS-UHFFFAOYSA-N,83.03711378
"(2r,3r,4r,5s)-3,4,5-Trihydroxypiperidine-2-Carboxylic Acid",C6H11NO5,C1[C@@H]([C@H]([C@@H]([C@@H](N1)C(=O)O)O)O)O,"InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3+,4+,5+/m0/s1",ZHFMVVUVCALAMY-NRXMZTRTSA-N,177.0637225
Sulfonyldicyclohexane,C12H22O2S,C1CCC(CC1)S(=O)(=O)C2CCCCC2,"InChI=1S/C12H22O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2",MZUPWNMULGRONZ-UHFFFAOYSA-N,230.1340511
Murrayamine E,C23H25NO2,CC1=CC2=C3C4=C1O[C@@]5(CC[C@@H]([C@H]4C5)C(N3C6=C2C=CC(=C6)O)(C)C)C,"InChI=1S/C23H25NO2/c1-12-9-15-14-6-5-13(25)10-18(14)24-20(15)19-16-11-23(4,26-21(12)19)8-7-17(16)22(24,2)3/h5-6,9-10,16-17,25H,7-8,11H2,1-4H3/t16-,17+,23-/m1/s1",YDUWCKHQORLZSO-SAHWJRBASA-N,347.188529
Thiazine,C4H5NS,C1=CNSC=C1,InChI=1S/C4H5NS/c1-2-4-6-5-3-1/h1-5H,AGIJRRREJXSQJR-UHFFFAOYSA-N,99.01427034
27-Hydroxywithanolide B,C28H38O6,CC1=C(C(=O)OC(C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)CO,"InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20?,22-,23-,24-,26+,27-,28-/m0/s1",AWVMHXZWAKRDGG-LOYXDDARSA-N,470.2668389
Benzovesamicol,C21H25NO,C1CN(CCC1C2=CC=CC=C2)[C@@H]3CC4=CC=CC=C4C[C@H]3O,"InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1",UUCLSDHQYDLBNN-NHCUHLMSSA-N,307.1936144
Flutemetamol F-18,C14H11FN2OS,CNC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)[18F],"InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1",VVECGOCJFKTUAX-HUYCHCPVSA-N,273.060146
Unii-FT4ecg833W,C15H16ClN3O2S,C1C[C@@H]2CC3=C(C=NN3)[C@H](C1)N2S(=O)(=O)C4=CC=C(C=C4)Cl,"InChI=1S/C15H16ClN3O2S/c16-10-4-6-12(7-5-10)22(20,21)19-11-2-1-3-15(19)13-9-17-18-14(13)8-11/h4-7,9,11,15H,1-3,8H2,(H,17,18)/t11-,15+/m1/s1",KRMWCISIWFTDOJ-ABAIWWIYSA-N,337.0651756
Unii-FC2VW8ejd2,C31H36F4N4O4S,CCNC1=CC(=C(C(=C1)N2CCCCS2(=O)=O)F)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNCC4=CC(=CC=C4)C(F)(F)F)O,"InChI=1S/C31H36F4N4O4S/c1-2-37-24-17-25(29(32)27(18-24)39-13-6-7-14-44(39,42)43)30(41)38-26(16-21-9-4-3-5-10-21)28(40)20-36-19-22-11-8-12-23(15-22)31(33,34)35/h3-5,8-12,15,17-18,26,28,36-37,40H,2,6-7,13-14,16,19-20H2,1H3,(H,38,41)/t26-,28+/m0/s1",DGEILIRHSDUTDK-XTEPFMGCSA-N,636.2393395
"(1S,9R,10S,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one",C17H26N2O,C[C@@H]1C[C@@H]2CC3=C(CCC(=O)N3)[C@]4(C1)[C@H]2CCCN4C,"InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12-,13+,17+/m1/s1",HXJHQEWSHQXRPH-FJZAXULXSA-N,274.2045135
Somatostatin SS-1,C78H108N18O19,CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)O)CO)C(C)O)CC6=CC=CC=C6)O,"InChI=1S/C78H108N18O19/c1-43(81)66(102)84-41-63(101)85-52-29-15-16-32-55(78(114)115)88-75(111)61(42-97)94-77(113)65(45(3)99)96-74(110)58(37-48-25-11-6-12-26-48)93-76(112)64(44(2)98)95-69(105)54(31-18-20-34-80)87-72(108)59(38-49-40-83-51-28-14-13-27-50(49)51)91-71(107)57(36-47-23-9-5-10-24-47)89-70(106)56(35-46-21-7-4-8-22-46)90-73(109)60(39-62(82)100)92-68(104)53(86-67(52)103)30-17-19-33-79/h4-14,21-28,40,43-45,52-61,64-65,83,97-99H,15-20,29-39,41-42,79-81H2,1-3H3,(H2,82,100)(H,84,102)(H,85,101)(H,86,103)(H,87,108)(H,88,111)(H,89,106)(H,90,109)(H,91,107)(H,92,104)(H,93,112)(H,94,113)(H,95,105)(H,96,110)(H,114,115)",CCWNWQAFNNLKTG-UHFFFAOYSA-N,1600.803813
beta-Peptide,C75H112N14O23S2,CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N,"InChI=1S/C75H112N14O23S2/c1-39(2)29-52(81-63(99)48(77)35-61(95)96)67(103)84-56(33-43-14-20-46(93)21-15-43)70(106)85-55(32-42-12-18-45(92)19-13-42)69(105)82-53(30-40(3)4)66(102)78-50(25-28-114-8)65(101)87-58(36-62(97)98)72(108)83-54(31-41(5)6)68(104)88-60(38-91)74(110)86-57(34-44-16-22-47(94)23-17-44)71(107)89-59(37-90)73(109)79-49(24-27-113-7)64(100)80-51(75(111)112)11-9-10-26-76/h12-23,39-41,48-60,90-94H,9-11,24-38,76-77H2,1-8H3,(H,78,102)(H,79,109)(H,80,100)(H,81,99)(H,82,105)(H,83,108)(H,84,103)(H,85,106)(H,86,110)(H,87,101)(H,88,104)(H,89,107)(H,95,96)(H,97,98)(H,111,112)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1",YNCISYYDXFNRBN-BLSIRIBZSA-N,1640.746618
"(2,4-Dimethylphenyl)hydrazine",C8H12N2,CC1=CC(=C(C=C1)NN)C,"InChI=1S/C8H12N2/c1-6-3-4-8(10-9)7(2)5-6/h3-5,10H,9H2,1-2H3",BDSHNNKBWNAZIM-UHFFFAOYSA-N,136.1000484
(S)-Nife,C19H20N2O7,COCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C19H20N2O7/c1-26-11-12-27-18(22)17(13-14-5-3-2-4-6-14)20-19(23)28-16-9-7-15(8-10-16)21(24)25/h2-10,17H,11-13H2,1H3,(H,20,23)/t17-/m0/s1",ZSOUYIBYVUBOGT-KRWDZBQOSA-N,388.127051
6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid,C14H24N6O4,C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)CN,"InChI=1S/C14H24N6O4/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24)",MVORZMQFXBLMHM-UHFFFAOYSA-N,340.1859033
Caprospinol,C33H52O4,CCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C[C@H]5[C@@H]4[C@@H]([C@]6(O5)CC[C@H](CO6)C)C)C)C,"InChI=1S/C33H52O4/c1-6-7-8-9-29(34)36-24-13-15-31(4)23(18-24)10-11-25-26(31)14-16-32(5)27(25)19-28-30(32)22(3)33(37-28)17-12-21(2)20-35-33/h10,21-22,24-28,30H,6-9,11-20H2,1-5H3/t21-,22+,24+,25-,26+,27+,28+,30+,31+,32+,33-/m1/s1",VMOZFSWFUBLCNN-AAPULDEBSA-N,512.3865601
"20-Ethyl-16beta-methoxy-4-(methoxymethyl)aconitane-1alpha,8,14alpha-triol",C23H37NO5,CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)COC,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1",RBSZCNOWHDHRFZ-JPAZAREGSA-N,407.2671733
6-amino-3-cyclopropylquinazolin-4(3H)-one,C11H11N3O,C1CC1N2C=NC3=C(C2=O)C=C(C=C3)N,"InChI=1S/C11H11N3O/c12-7-1-4-10-9(5-7)11(15)14(6-13-10)8-2-3-8/h1,4-6,8H,2-3,12H2",IGEQSNIBWNVBBV-UHFFFAOYSA-N,201.090212
"N-[(1s,2s,4r)-2-Hydroxy-1-Isobutyl-5-({(1s)-1-[(Isopropylamino)carbonyl]-2-Methylpropyl}amino)-4-Methyl-5-Oxopentyl]-5-[methyl(Methylsulfonyl)amino]-N'-[(1r)-1-Phenylethyl]isophthalamide",C36H55N5O7S,C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)C1=CC(=CC(=C1)C(=O)N[C@H](C)C2=CC=CC=C2)N(C)S(=O)(=O)C)O)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C,"InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1",BJOCXJJVELLFKM-LLWRDSBASA-N,701.3822203
"6-Benzothiazolol, 2-(6-(methylamino)-3-pyridinyl)-",C13H11N3OS,CNC1=NC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O,"InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)",FYTAUNFPOYWHBC-UHFFFAOYSA-N,257.0622832
"(R)-1-(1H-Benzotriazole-1-yl)-2-methoxy-2-phenyl-3,3,3-trifluoro-1-propanone",C16H12F3N3O2,CO[C@](C1=CC=CC=C1)(C(=O)N2C3=CC=CC=C3N=N2)C(F)(F)F,"InChI=1S/C16H12F3N3O2/c1-24-15(16(17,18)19,11-7-3-2-4-8-11)14(23)22-13-10-6-5-9-12(13)20-21-22/h2-10H,1H3/t15-/m1/s1",BERFAXQVAGAFIE-OAHLLOKOSA-N,335.0881611
"2-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine",C10H18N2O,CN1CCC=C(C1)C2CNCCO2,"InChI=1S/C10H18N2O/c1-12-5-2-3-9(8-12)10-7-11-4-6-13-10/h3,10-11H,2,4-8H2,1H3",ASJNQTBIACKZOO-UHFFFAOYSA-N,182.1419132
4-[(6-Amino-4-pyrimidinyl)amino]benzenesulfonamide,C10H11N5O2S,C1=CC(=CC=C1NC2=NC=NC(=C2)N)S(=O)(=O)N,"InChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)",FVFVVRPJERUECT-UHFFFAOYSA-N,265.0633458
Triazinone,C3H3N3O,C1=CN=NNC1=O,"InChI=1S/C3H3N3O/c7-3-1-2-4-6-5-3/h1-2H,(H,4,5,7)",QMNWYGTWTXOQTP-UHFFFAOYSA-N,97.02761173
Selenazoline,C3H5NSe,C1C[Se]C=N1,"InChI=1S/C3H5NSe/c1-2-5-3-4-1/h3H,1-2H2",MVVFUAACPKXXKJ-UHFFFAOYSA-N,134.95872
Benzyl quinolone carboxylic acid,C17H13NO3,C1=CC=C(C=C1)CC2=C(C(=O)NC3=CC=CC=C32)C(=O)O,"InChI=1S/C17H13NO3/c19-16-15(17(20)21)13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16/h1-9H,10H2,(H,18,19)(H,20,21)",LPQIYUCWQOQFCS-UHFFFAOYSA-N,279.0895433
3-Benzofuranamine,C8H7NO,C1=CC=C2C(=C1)C(=CO2)N,"InChI=1S/C8H7NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H,9H2",XZYWHOBAUVAMDI-UHFFFAOYSA-N,133.0527638
2-Phenoxyindan-1-one,C15H12O2,C1C(C(=O)C2=CC=CC=C21)OC3=CC=CC=C3,"InChI=1S/C15H12O2/c16-15-13-9-5-4-6-11(13)10-14(15)17-12-7-2-1-3-8-12/h1-9,14H,10H2",VNZLRRDCSJLAPP-UHFFFAOYSA-N,224.0837296
Indoline-1-carboxylic acid,C9H9NO2,C1CN(C2=CC=CC=C21)C(=O)O,"InChI=1S/C9H9NO2/c11-9(12)10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2,(H,11,12)",TYHYESDUJZRBKS-UHFFFAOYSA-N,163.0633285
N-silylpyrrole,C4H4NSi,C1=CN(C=C1)[Si],InChI=1S/C4H4NSi/c6-5-3-1-2-4-5/h1-4H,VYAAUDDYFVTLQS-UHFFFAOYSA-N,94.01130067
"3-Amino-1,4-benzodiazepine",C9H9N3,C1=CC=C2C(=C1)C=NC(=CN2)N,"InChI=1S/C9H9N3/c10-9-6-11-8-4-2-1-3-7(8)5-12-9/h1-6,11H,10H2",BQEOYSYVSOQDAJ-UHFFFAOYSA-N,159.0796473
Cyclopropyl carbamate,C4H7NO2,C1CC1OC(=O)N,"InChI=1S/C4H7NO2/c5-4(6)7-3-1-2-3/h3H,1-2H2,(H2,5,6)",RZZFOJKGQIYSBE-UHFFFAOYSA-N,101.0476785
"7,8,9,10-Tetrahydrobenzo[c]chromen-6-one",C13H12O2,C1CCC2=C(C1)C3=CC=CC=C3OC2=O,"InChI=1S/C13H12O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h3-4,6,8H,1-2,5,7H2",KPURGZHUDCFENA-UHFFFAOYSA-N,200.0837296
"2,4-Dihydroxy-3,5,6-trimethylbenzoic acid",C10H12O4,CC1=C(C(=C(C(=C1C(=O)O)O)C)O)C,"InChI=1S/C10H12O4/c1-4-5(2)8(11)6(3)9(12)7(4)10(13)14/h11-12H,1-3H3,(H,13,14)",NZGSNQJCTOMELT-UHFFFAOYSA-N,196.0735589
5-Bromo-2-[4-(dimethylamino)phenyl]benzofuran,C16H14BrNO,CN(C)C1=CC=C(C=C1)C2=CC3=C(O2)C=CC(=C3)Br,"InChI=1S/C16H14BrNO/c1-18(2)14-6-3-11(4-7-14)16-10-12-9-13(17)5-8-15(12)19-16/h3-10H,1-2H3",KDEAIQIMZNSYPJ-UHFFFAOYSA-N,315.02588
N-[4-(Dimethylamino)phenyl]pyridine-2-methaneimine,C14H15N3,CN(C)C1=CC=C(C=C1)N=CC2=CC=CC=N2,"InChI=1S/C14H15N3/c1-17(2)14-8-6-12(7-9-14)16-11-13-5-3-4-10-15-13/h3-11H,1-2H3",XTAGJQJYUJKGGC-UHFFFAOYSA-N,225.1265975
"N-{3-[benzyl(methyl)amino]propyl}-1,5-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]quinoline-2-carboxamide",C25H28N4O2,CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCCN(C)CC4=CC=CC=C4,"InChI=1S/C25H28N4O2/c1-27(17-18-10-5-4-6-11-18)15-9-14-26-24(30)22-16-20-23(28(22)2)19-12-7-8-13-21(19)29(3)25(20)31/h4-8,10-13,16H,9,14-15,17H2,1-3H3,(H,26,30)",OHOYRZUOLABBDS-UHFFFAOYSA-N,416.2212262
Idalopirdine,C20H19F5N2O,C1=CC(=CC(=C1)OCC(C(F)F)(F)F)CNCCC2=CNC3=C2C=CC(=C3)F,"InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2",YBAWYTYNMZWMMJ-UHFFFAOYSA-N,398.141754
"Androsta-1,4-diene-3,17-dione, 12-hydroxy-, (12beta)-",C19H24O3,C[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@H]3CCC4=O)C)O,"InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(21)19(14,2)17(22)10-15(13)18/h7-9,13-15,17,22H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1",ZHWCPUFUYVTHSO-KCZNZURUSA-N,300.1725446
Coumarinyloxadiazole,C11H6N2O3,C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CON=N3,InChI=1S/C11H6N2O3/c14-11-8(9-6-15-13-12-9)5-7-3-1-2-4-10(7)16-11/h1-6H,WVVOWDGOTOYICQ-UHFFFAOYSA-N,214.0378421
Sibiricaxanthone B,C24H26O14,C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C4=C(C=C3O)OC5=C(C4=O)C=C(C=C5)O)O)CO)O)O)O)(CO)O,"InChI=1S/C24H26O14/c25-5-13-17(30)19(32)21(38-23-22(33)24(34,6-26)7-35-23)20(37-13)14-10(28)4-12-15(18(14)31)16(29)9-3-8(27)1-2-11(9)36-12/h1-4,13,17,19-23,25-28,30-34H,5-7H2/t13-,17-,19+,20+,21-,22+,23+,24-/m1/s1",LLMCZIBSELEBMK-UKHOTDCGSA-N,538.1322555
Tenuifolin,C36H56O12,C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)CO)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C,"InChI=1S/C36H56O12/c1-31(2)10-11-35(30(45)46)12-13-36(17-38)18(19(35)14-31)6-7-22-32(3)15-20(39)27(34(5,29(43)44)23(32)8-9-33(22,36)4)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34-,35-,36-/m0/s1",DBJLNNAUDGIUAE-YGIRLYIESA-N,680.3771772
Icariside E4,C26H34O10,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)[C@H]3[C@@H](C4=C(O3)C(=CC(=C4)CCCO)OC)CO)OC)O)O)O,"InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(34-13)35-18-7-6-15(11-19(18)32-2)24-17(12-28)16-9-14(5-4-8-27)10-20(33-3)25(16)36-24/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17+,21-,22+,23+,24-,26-/m0/s1",FYWCDZKQBWSMDD-YGYBHAICSA-N,506.2151973
(20R)-Ginsenoside Rh1,C36H62O9,CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C,"InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36+/m0/s1",RAQNTCRNSXYLAH-PQYWRUIPSA-N,638.4393836
Oxazole-4-carboxamide,C4H4N2O2,C1=C(N=CO1)C(=O)N,"InChI=1S/C4H4N2O2/c5-4(7)3-1-8-2-6-3/h1-2H,(H2,5,7)",VAELWSLNTRVXQS-UHFFFAOYSA-N,112.0272774
trans-Tephrostachin,C22H22O5,CC(C)(/C=C/C1=C2C(=C(C=C1OC)OC)C(=O)C=C(O2)C3=CC=CC=C3)O,"InChI=1S/C22H22O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-13,24H,1-4H3/b11-10+",CYPXFTCVCNFZNY-ZHACJKMWSA-N,366.1467238
Iodophenyl carbamate,C7H6INO2,C1=CC=C(C(=C1)OC(=O)N)I,"InChI=1S/C7H6INO2/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H,(H2,9,10)",RWWXHIHZFIGDPW-UHFFFAOYSA-N,262.94433
Phenylcarbamic acid,C7H7NO2,C1=CC=C(C=C1)NC(=O)O,"InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)",PWXJULSLLONQHY-UHFFFAOYSA-N,137.0476785
"2,3,8,8a-Tetrahydropyrrolo[2,3-b]indole",C10H12N2,C1CNC2C1C3=CC=CC=C3N2,"InChI=1S/C10H12N2/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-4,8,10-12H,5-6H2",VOWHONRMOCHCGC-UHFFFAOYSA-N,160.1000484
Morpholino carbamate,C5H10N2O3,C1COCCN1OC(=O)N,"InChI=1S/C5H10N2O3/c6-5(8)10-7-1-3-9-4-2-7/h1-4H2,(H2,6,8)",XTGGILXPEMRCFM-UHFFFAOYSA-N,146.0691422
"1,2,3-Oxadiazol-4-amine",C2H3N3O,C1=C(N=NO1)N,"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2",WHLAXDUXKMECTM-UHFFFAOYSA-N,85.02761173
"8-Quinolinol, 2-fluoro-",C9H6FNO,C1=CC2=C(C(=C1)O)N=C(C=C2)F,"InChI=1S/C9H6FNO/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H",WCXGTOXVYJAQHV-UHFFFAOYSA-N,163.043342
4-Methylazetidinecarboxylic acid,C5H9NO2,CC1CCN1C(=O)O,"InChI=1S/C5H9NO2/c1-4-2-3-6(4)5(7)8/h4H,2-3H2,1H3,(H,7,8)",ZUTWFTHTKYXPNI-UHFFFAOYSA-N,115.0633285
2-Carboxyethylphosphine,C3H7O2P,C(CP)C(=O)O,"InChI=1S/C3H7O2P/c4-3(5)1-2-6/h1-2,6H2,(H,4,5)",QEDXSHCYPROEOK-UHFFFAOYSA-N,106.0183665
N-acetyl methionine amide,C7H14N2O2S,CC(=O)NC(=O)[C@H](CCSC)N,"InChI=1S/C7H14N2O2S/c1-5(10)9-7(11)6(8)3-4-12-2/h6H,3-4,8H2,1-2H3,(H,9,10,11)/t6-/m0/s1",OIRDKWJJMSJIEY-LURJTMIESA-N,190.0775989
Glycyl-l-histidyl-l-lysine,C14H24N6O4,C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN,"InChI=1S/C14H24N6O4/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24)/t10-,11-/m0/s1",MVORZMQFXBLMHM-QWRGUYRKSA-N,340.1859033
Iodobenzyl bromide,C7H6BrI,C1=CC=C(C=C1)C(Br)I,"InChI=1S/C7H6BrI/c8-7(9)6-4-2-1-3-5-6/h1-5,7H",OHRZXIJYFUZSJQ-UHFFFAOYSA-N,295.86976
Aminohexanethiol,C6H15NS,CCCCCC(N)S,"InChI=1S/C6H15NS/c1-2-3-4-5-6(7)8/h6,8H,2-5,7H2,1H3",JHGWWHOLBSCWNL-UHFFFAOYSA-N,133.0925207
"4-(Imidazo[1,2-a]pyridin-2-yl)-N,N-dimethylaniline",C15H15N3,CN(C)C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2,"InChI=1S/C15H15N3/c1-17(2)13-8-6-12(7-9-13)14-11-18-10-4-3-5-15(18)16-14/h3-11H,1-2H3",QOULJXYVKZMPDM-UHFFFAOYSA-N,237.1265975
3H-Benzo[e]indole,C12H9N,C1=CC=C2C(=C1)C=CC3=C2C=CN3,"InChI=1S/C12H9N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-8,13H",ALGIYXGLGIECNT-UHFFFAOYSA-N,167.0734993
Dihydroxythiadiazole,C2H2N2O2S,C1(=O)C(=O)SNN1,"InChI=1S/C2H2N2O2S/c5-1-2(6)7-4-3-1/h4H,(H,3,5)",PZWGPRQVKJVQSE-UHFFFAOYSA-N,117.9836985
Benzothiazole,C7H5NS,C1=CC=C2C(=C1)N=CS2,InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,IOJUPLGTWVMSFF-UHFFFAOYSA-N,135.0142703
Flavan-3-ol gallate,C22H18O6,C1C(C(OC2=CC=CC=C21)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)O)O)O,"InChI=1S/C22H18O6/c23-16-10-15(11-17(24)20(16)25)22(26)28-19-12-14-8-4-5-9-18(14)27-21(19)13-6-2-1-3-7-13/h1-11,19,21,23-25H,12H2",CFGCVSCATFZPPH-UHFFFAOYSA-N,378.1103383
Pyrrolopyrimidinone,C6H3N3O,C1=CN=C2C1=NC(=O)N=C2,InChI=1S/C6H3N3O/c10-6-8-3-5-4(9-6)1-2-7-5/h1-3H,DXVAQZJPPDWTNY-UHFFFAOYSA-N,133.0276117
Lycorin-2-one,C16H16ClNO3,C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)Cl)OCO4,"InChI=1S/C16H16ClNO3/c17-11-3-8-1-2-18-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)18)16(11)19/h3-5,11,14-16,19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1",IXMUKRFOOZSADC-DANNLKNASA-N,305.0818711
Azabicyclooctane,C15H29N,C1CCCC(CCC1)N2CCCCCCC2,"InChI=1S/C15H29N/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16/h15H,1-14H2",QUIJMHDIAFOPRK-UHFFFAOYSA-N,223.2299999
Lpffd,C33H43N5O8,CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)O)N,"InChI=1S/C33H43N5O8/c1-20(2)16-23(34)32(44)38-15-9-14-27(38)31(43)36-25(18-22-12-7-4-8-13-22)29(41)35-24(17-21-10-5-3-6-11-21)30(42)37-26(33(45)46)19-28(39)40/h3-8,10-13,20,23-27H,9,14-19,34H2,1-2H3,(H,35,41)(H,36,43)(H,37,42)(H,39,40)(H,45,46)",RALAXQOLLAQGTI-UHFFFAOYSA-N,637.3111634
"(6S)-2-amino-3,6-dimethyl-6-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one",C18H18N4OS,CC#CC1=CC(=CN=C1)C2=CSC(=C2)[C@@]3(CC(=O)N(C(=N3)N)C)C,"InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1",IKFZEHQGULJMKI-SFHVURJKSA-N,338.1201324
"(1R,10R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-5-one",C16H20N2O,CC1=CC2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4,"InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11?,12-,16-/m1/s1",YYWGABLTRMRUIT-ZLXOECBPSA-N,256.1575633
Leucomethylene blue,C16H19N3S,CN(C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)N(C)C,"InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3",QTWZICCBKBYHDM-UHFFFAOYSA-N,285.1299688
"Benzeneacetamide, N-((1S)-2-(((5S)-4,5-dihydro-3-methyl-4-oxo-3H-2,3-benzodiazepin-5-yl)amino)-1-methyl-2-oxoethyl)-3,5-difluoro-alpha-hydroxy-, (alphaS)-",C21H20F2N4O4,C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C=NN(C1=O)C)NC(=O)[C@H](C3=CC(=CC(=C3)F)F)O,"InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17-,18-/m0/s1",HXEHCCYOTHDPPI-NBHSMZAVSA-N,430.1452615
(4-Formylphenyl) hexadecyl hydrogen phosphate,C23H39O5P,CCCCCCCCCCCCCCCCOP(=O)(O)OC1=CC=C(C=C1)C=O,"InChI=1S/C23H39O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-29(25,26)28-23-18-16-22(21-24)17-19-23/h16-19,21H,2-15,20H2,1H3,(H,25,26)",WIHDVWUXTCBWQJ-UHFFFAOYSA-N,426.2535113
"Benzenesulfonic acid, 3,5-dibromo-4-nitroso-",C6H3Br2NO4S,C1=C(C=C(C(=C1Br)N=O)Br)S(=O)(=O)O,"InChI=1S/C6H3Br2NO4S/c7-4-1-3(14(11,12)13)2-5(8)6(4)9-10/h1-2H,(H,11,12,13)",NTFXNXQDQBCQSU-UHFFFAOYSA-N,344.8129
6-Hydroxy-7-(hydroxymethyl)-4-methylenehexahydrocyclopenta[c]pyran-1(3h)-one,C10H14O4,C=C1COC(=O)C2C1CC(C2CO)O,"InChI=1S/C10H14O4/c1-5-4-14-10(13)9-6(5)2-8(12)7(9)3-11/h6-9,11-12H,1-4H2",CVLSTHVYJPHTBI-UHFFFAOYSA-N,198.0892089
Dactylorhin B,C40H56O23,CC(C)C[C@@]([C@@H](C(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O,"InChI=1S/C40H56O23/c1-17(2)11-40(63-38-33(52)30(49)27(46)24(14-43)62-38,39(55)57-16-19-5-9-21(10-6-19)59-37-32(51)29(48)26(45)23(13-42)61-37)34(53)35(54)56-15-18-3-7-20(8-4-18)58-36-31(50)28(47)25(44)22(12-41)60-36/h3-10,17,22-34,36-38,41-53H,11-16H2,1-2H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,36-,37-,38+,40-/m1/s1",KGCBATGZRGGGQG-KQHOVRMTSA-N,904.321238
Salvianolic acid J,C27H22O12,C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=CC3=C(C=C2)O[C@@H]([C@@H](O3)C(=O)O)C4=CC(=C(C=C4)O)O)O)O,"InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22?,24-,25-/m1/s1",KPKHMGUZUPELJC-OEKAYNNHSA-N,538.1111261
N-(4-Chlorophenyl)-2-hydroxynaphthalene-1-methaneamine,C17H14ClNO,C1=CC=C2C(=C1)C=CC(=C2CNC3=CC=C(C=C3)Cl)O,"InChI=1S/C17H14ClNO/c18-13-6-8-14(9-7-13)19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-10,19-20H,11H2",CJSKBHKIZJSZAP-UHFFFAOYSA-N,283.0763918
"7-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one",C27H32O15,CC1[C@@H]([C@@H](C([C@@H](O1)OC2[C@@H]([C@@H](C(O[C@H]2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O,"InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9?,16?,18?,20-,21+,22-,23+,24?,25?,26-,27+/m0/s1",OBKKEZLIABHSGY-CKOCVGQBSA-N,596.1741203
"N-[5-[[(3-Chlorophenyl)amino]sulfonyl]-2-hydroxyphenyl]-3,4-dihydro-3-methyl-4-oxo-1-phthalazineacetamide",C23H19ClN4O5S,CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)O,"InChI=1S/C23H19ClN4O5S/c1-28-23(31)18-8-3-2-7-17(18)19(26-28)13-22(30)25-20-12-16(9-10-21(20)29)34(32,33)27-15-6-4-5-14(24)11-15/h2-12,27,29H,13H2,1H3,(H,25,30)",CLWDCBBEVQRZLY-UHFFFAOYSA-N,498.0764686
"1H-pyrrolo[3,2-c]pyridin-6-amine",C7H7N3,C1=CNC2=CC(=NC=C21)N,"InChI=1S/C7H7N3/c8-7-3-6-5(4-10-7)1-2-9-6/h1-4,9H,(H2,8,10)",IEKFXCSXZRHCIG-UHFFFAOYSA-N,133.0639972
"2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one",C23H24N4O,CN1C[C@H]2CCN([C@H]2C1)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=O)C=CC=N5,"InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1",GNIRITULTPTAQW-KNQAVFIVSA-N,372.1950114
"2-(3,4-Dimethoxyphenyl)-5-(3-methoxypropyl)benzofuran",C20H22O4,COCCCC1=CC2=C(C=C1)OC(=C2)C3=CC(=C(C=C3)OC)OC,"InChI=1S/C20H22O4/c1-21-10-4-5-14-6-8-17-16(11-14)13-19(24-17)15-7-9-18(22-2)20(12-15)23-3/h6-9,11-13H,4-5,10H2,1-3H3",CUEPJIGXQLIOIK-UHFFFAOYSA-N,326.1518092
Hopeahainol A,C28H16O8,C1=CC(=CC=C1C2=C3C(=CC(=O)C=C3O)[C@]4(C5=C(C2=O)C=C(C=C5OC4=O)O)C6=CC=C(C=C6)O)O,"InChI=1S/C28H16O8/c29-15-5-1-13(2-6-15)23-24-20(10-18(32)11-21(24)33)28(14-3-7-16(30)8-4-14)25-19(26(23)34)9-17(31)12-22(25)36-27(28)35/h1-12,29-31,33H/t28-/m0/s1",ZDIDNYXNHOCPFJ-NDEPHWFRSA-N,480.0845175
"O-[1-O,2-O-Bis[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaene-1-yl]-L-glycero-3-phospho]choline",C52H81NO8P,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC,"InChI=1S/C52H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,50H,6-7,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/p+1/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1",XLKQWAMTMYIQMG-SVUPRYTISA-O,878.5699805
"6-Benzothiazolol, 2-(6-(methyl-11c-amino)-3-pyridinyl",C13H11N3OS,[11CH3]NC1=NC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O,"InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)/i1-1",FYTAUNFPOYWHBC-BJUDXGSMSA-N,256.0737158
florbetapir (18F),C20H25FN2O3,CNC1=CC=C(C=C1)/C=C/C2=CN=C(C=C2)OCCOCCOCC[18F],"InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1",YNDIAUKFXKEXSV-CRYLGTRXSA-N,359.187455
"2-[(1r)-1-[[(4-Chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluorobenzenepropanoic acid",C23H19ClF3NO4S,C[C@H](C1=C(C=C(C=C1)F)CCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl,"InChI=1S/C23H19ClF3NO4S/c1-14(20-9-5-17(25)12-15(20)2-11-23(29)30)28(22-13-18(26)6-10-21(22)27)33(31,32)19-7-3-16(24)4-8-19/h3-10,12-14H,2,11H2,1H3,(H,29,30)/t14-/m1/s1",YHSPZTXQDUETMK-CQSZACIVSA-N,497.0675414
4'-O-Methyldiplacone,C26H30O6,CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC(=C(C=C3)OC)O)O)/C)C,"InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-19(27)13-24-25(26(18)30)21(29)14-23(32-24)17-9-11-22(31-4)20(28)12-17/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t23-/m0/s1",FVUVHWPNLPHERN-SICWBLJQSA-N,438.2042387
Fddnp,C18H16FN3,CC(=C(C#N)C#N)C1=CC2=C(C=C1)C=C(C=C2)N(C)CCF,"InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3",IAVCEBMLYVGBLA-UHFFFAOYSA-N,293.1328257
Berkeleyamide D,C18H21NO5,CC(C)CC1(C(C2(C(=O)C=C(O2)CC3=CC=CC=C3)C(=O)N1)O)O,"InChI=1S/C18H21NO5/c1-11(2)10-17(23)15(21)18(16(22)19-17)14(20)9-13(24-18)8-12-6-4-3-5-7-12/h3-7,9,11,15,21,23H,8,10H2,1-2H3,(H,19,22)",KYPWBBBOBAOGSQ-UHFFFAOYSA-N,331.1419728
"N-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide",C36H42N4O6S,C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNCC4=CC(=CC=C4)OC)O,"InChI=1S/C36H42N4O6S/c1-25(28-15-9-6-10-16-28)38-35(42)29-20-30(22-31(21-29)40(2)47(4,44)45)36(43)39-33(19-26-12-7-5-8-13-26)34(41)24-37-23-27-14-11-17-32(18-27)46-3/h5-18,20-22,25,33-34,37,41H,19,23-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,33+,34-/m1/s1",HIQWWDCRULXYDF-SWROZOJRSA-N,658.2825063
Flutafuranol,C14H11FN2O2,CNC1=NC(=C(C=C1)C2=CC3=C(O2)C=CC(=C3)O)F,"InChI=1S/C14H11FN2O2/c1-16-13-5-3-10(14(15)17-13)12-7-8-6-9(18)2-4-11(8)19-12/h2-7,18H,1H3,(H,16,17)",MYNQXTDIPMCJCR-UHFFFAOYSA-N,258.0804558
"1-Propanesulfonic acid, 3-(((2S)-2-amino-3-methyl-1-oxobutyl)amino)-",C8H18N2O4S,CC(C)[C@@H](C(=O)NCCCS(=O)(=O)O)N,"InChI=1S/C8H18N2O4S/c1-6(2)7(9)8(11)10-4-3-5-15(12,13)14/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,12,13,14)/t7-/m0/s1",NRZRFNYKMSAZBI-ZETCQYMHSA-N,238.0987282
Z-Val-Lys-Lys-Arg-MNA,C42H62N10O7,CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)NC(=O)OCC3=CC=CC=C3,"InChI=1S/C42H62N10O7/c1-27(2)36(52-42(57)59-26-28-14-5-4-6-15-28)40(56)51-33(19-10-12-22-44)39(55)49-32(18-9-11-21-43)38(54)50-34(20-13-23-47-41(45)46)37(53)48-30-24-29-16-7-8-17-31(29)35(25-30)58-3/h4-8,14-17,24-25,27,32-34,36H,9-13,18-23,26,43-44H2,1-3H3,(H,48,53)(H,49,55)(H,50,54)(H,51,56)(H,52,57)(H4,45,46,47)/t32-,33-,34-,36-/m0/s1",WXZZXNOWSNDFIS-RRNXAADDSA-N,818.4802944
2-[4-(Dimethylamino)styryl]-6-methoxybenzofuran,C19H19NO2,CN(C)C1=CC=C(C=C1)/C=C/C2=CC3=C(O2)C=C(C=C3)OC,"InChI=1S/C19H19NO2/c1-20(2)16-8-4-14(5-9-16)6-10-18-12-15-7-11-17(21-3)13-19(15)22-18/h4-13H,1-3H3/b10-6+",GAAPZOXKUKNOPB-UXBLZVDNSA-N,293.1415788
Floribundiquinone A,C32H26O10,C[C@H]1CC2=C(C3=C(C(=O)C=C(C3=O)OC)C(=C2[C@H](O1)C)O)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC,"InChI=1S/C32H26O10/c1-11-6-15-22(17(33)7-11)31(38)24-16(28(15)35)9-19(40-4)26(32(24)39)23-14-8-12(2)42-13(3)21(14)30(37)25-18(34)10-20(41-5)29(36)27(23)25/h6-7,9-10,12-13,33,37,39H,8H2,1-5H3/t12-,13+/m0/s1",JFSCNDHDOTUHNS-QWHCGFSZSA-N,570.152597
"(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-4-(2-methylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene",C21H21ClF2O6S2,CS(=O)(=O)CC[C@H]1[C@@H]2COC3=C(C=CC(=C3[C@@]2(CCO1)S(=O)(=O)C4=CC=C(C=C4)Cl)F)F,"InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1",AMXSRXZYBDALJG-XERREHJYSA-N,506.0436148
His-Ala-His,C15H21N7O4,C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CC2=CN=CN2)N,"InChI=1S/C15H21N7O4/c1-8(21-14(24)11(16)2-9-4-17-6-19-9)13(23)22-12(15(25)26)3-10-5-18-7-20-10/h4-8,11-12H,2-3,16H2,1H3,(H,17,19)(H,18,20)(H,21,24)(H,22,23)(H,25,26)/t8-,11-,12-/m0/s1",IPIVXQQRZXEUGW-UWJYBYFXSA-N,363.1655022
"2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic acid",C26H30N2O4S,CCCCC(C(=O)O)SC1=NC(=CC(=N1)OCCC2=CC=CC=C2)OCCC3=CC=CC=C3,"InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)",KYRBYBXVVWQIJQ-UHFFFAOYSA-N,466.1926286
Val-Gly-Gly-Val-Val-Ile-Ala,C28H51N7O8,CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)N,"InChI=1S/C28H51N7O8/c1-10-16(8)23(27(41)32-17(9)28(42)43)35-26(40)22(15(6)7)34-25(39)21(14(4)5)33-19(37)12-30-18(36)11-31-24(38)20(29)13(2)3/h13-17,20-23H,10-12,29H2,1-9H3,(H,30,36)(H,31,38)(H,32,41)(H,33,37)(H,34,39)(H,35,40)(H,42,43)/t16-,17-,20-,21-,22-,23-/m0/s1",MPEFSKYDZWZODJ-XYNXPQAZSA-N,613.3799116
s-Palmitoleoylglutathione,C26H45N3O7S,CCCCCC/C=C\CCCCCCCC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C26H45N3O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(33)37-19-21(25(34)28-18-23(31)32)29-22(30)17-16-20(27)26(35)36/h7-8,20-21H,2-6,9-19,27H2,1H3,(H,28,34)(H,29,30)(H,31,32)(H,35,36)/b8-7-/t20-,21-/m0/s1",ZJYGIYUHPSSGTO-ZLDKCGEFSA-N,543.297822
1-((4-cyano-4-(pyridin-2-yl)piperidin-1-yl)methyl)-4-oxo-4H-quinolizine-3-carboxylic acid,C22H20N4O3,C1CN(CCC1(C#N)C2=CC=CC=N2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O,"InChI=1S/C22H20N4O3/c23-15-22(19-6-1-3-9-24-19)7-11-25(12-8-22)14-16-13-17(21(28)29)20(27)26-10-4-2-5-18(16)26/h1-6,9-10,13H,7-8,11-12,14H2,(H,28,29)",RJTJRVASUFIDQM-UHFFFAOYSA-N,388.1535405
Unii-Z41H3C5BT9,C18H17F3N2O2,CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)/N=C/C2=CC(=CC=C2)OC)C,"InChI=1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+",HYMZAYGFKNNHDN-SSDVNMTOSA-N,350.1242123
Neovibsanin B,C26H38O5,CC(=CCC[C@]1(CC=C2CO[C@@H]3[C@@]2([C@@H]1/C=C/OC(=O)C=C(C)C)O[C@](C3)(C)OC)C)C,"InChI=1S/C26H38O5/c1-18(2)9-8-12-24(5)13-10-20-17-30-22-16-25(6,28-7)31-26(20,22)21(24)11-14-29-23(27)15-19(3)4/h9-11,14-15,21-22H,8,12-13,16-17H2,1-7H3/b14-11+/t21-,22+,24+,25+,26-/m1/s1",YNJGXQUTVLYUEZ-QUJJFIQJSA-N,430.2719243
"Meptazinol, (S)-",C15H23NO,CC[C@]1(CCCCN(C1)C)C2=CC(=CC=C2)O,"InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3/t15-/m1/s1",JLICHNCFTLFZJN-OAHLLOKOSA-N,233.1779644
(e)-N-(2-(1h-indol-3-yl)ethyl)-3-(2-chlorophenyl)acrylamide,C19H17ClN2O,C1=CC=C(C(=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32)Cl,"InChI=1S/C19H17ClN2O/c20-17-7-3-1-5-14(17)9-10-19(23)21-12-11-15-13-22-18-8-4-2-6-16(15)18/h1-10,13,22H,11-12H2,(H,21,23)/b10-9+",MCTKJFQJZQQCFD-MDZDMXLPSA-N,324.1029409
"(5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione",C19H20N2O3S,CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)C[C@H]3C(=O)NC(=O)S3,"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m0/s1",HYAFETHFCAUJAY-KRWDZBQOSA-N,356.1194637
"(5r)-5-{4-[2-(5-Ethylpyridin-2-Yl)ethoxy]benzyl}-1,3-Thiazolidine-2,4-Dione",C19H20N2O3S,CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)C[C@@H]3C(=O)NC(=O)S3,"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1",HYAFETHFCAUJAY-QGZVFWFLSA-N,356.1194637
"3-(gamma,gamma-dimethylpropenyl)moracinM",C19H18O4,CC(=CCC1=C(C=CC2=C1OC(=C2)C3=CC(=CC(=C3)O)O)O)C,"InChI=1S/C19H18O4/c1-11(2)3-5-16-17(22)6-4-12-9-18(23-19(12)16)13-7-14(20)10-15(21)8-13/h3-4,6-10,20-22H,5H2,1-2H3",PMSZSXKBGUQXFG-UHFFFAOYSA-N,310.1205091
Hovetrichoside C,C21H22O11,C1=CC(=CC=C1CC2(C(=O)C3=C(O2)C=C(C=C3O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)O)O,"InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)20(31-14)30-12-5-11(24)6-13-15(12)19(28)21(29,32-13)7-9-1-3-10(23)4-2-9/h1-6,14,16-18,20,22-27,29H,7-8H2/t14?,16-,17+,18?,20-,21?/m1/s1",KJIWCKSQHHNTTL-RDBLRTHZSA-N,450.1162115
"(2S)-7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one",C27H32O15,CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O,"InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9?,16-,18?,20?,21?,22?,23?,24?,25?,26?,27?/m0/s1",OBKKEZLIABHSGY-OKDLHEIRSA-N,596.1741203
"6-Geranyl-3',5,7-tri-hydroxy-4'-methoxyflavanone",C26H30O6,CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=C(C=C3)OC)O)O)/C)C,"InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-19(27)13-24-25(26(18)30)21(29)14-23(32-24)17-9-11-22(31-4)20(28)12-17/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+",FVUVHWPNLPHERN-LZYBPNLTSA-N,438.2042387
gamma-Secretase modulator 1,C24H24N4OS,CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(S3)CCCC4C5=CC=CC=C5)OC,"InChI=1S/C24H24N4OS/c1-16-14-28(15-25-16)20-12-11-18(13-21(20)29-2)26-24-27-23-19(9-6-10-22(23)30-24)17-7-4-3-5-8-17/h3-5,7-8,11-15,19H,6,9-10H2,1-2H3,(H,26,27)",VFSGAZRYSCNFDF-UHFFFAOYSA-N,416.1670826
"3,6'-Disinapoyl sucrose",C34H42O19,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@]3([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)CO)O)O)O,"InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30+,31-,32+,33-,34-/m1/s1",FHIJMQWMMZEFBL-HTTQGYFGSA-N,754.2320291
Ethyl Asterrate,C19H20O8,CCOC(=O)C1=C(C=C(C=C1OC2=C(C=C(C=C2OC)O)C(=O)OC)C)O,"InChI=1S/C19H20O8/c1-5-26-19(23)16-13(21)6-10(2)7-14(16)27-17-12(18(22)25-4)8-11(20)9-15(17)24-3/h6-9,20-21H,5H2,1-4H3",JIPGWTAQJPIOCX-UHFFFAOYSA-N,376.1158176
Memogain,C24H25NO4,CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)OC(=O)C5=CC=CC=C5,"InChI=1S/C24H25NO4/c1-25-13-12-24-11-10-18(28-23(26)16-6-4-3-5-7-16)14-20(24)29-22-19(27-2)9-8-17(15-25)21(22)24/h3-11,18,20H,12-15H2,1-2H3/t18-,20-,24-/m0/s1",JKVNJTYHRABHIY-WXVUKLJWSA-N,391.1783583
[18F]N-(2-(Diethylamino)ethyl)-6-fluoronicotinamide,C12H18FN3O,CCN(CC)CCNC(=O)C1=CN=C(C=C1)[18F],"InChI=1S/C12H18FN3O/c1-3-16(4-2)8-7-14-12(17)10-5-6-11(13)15-9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,17)/i13-1",KDJDPOPMAGYJLH-HSGWXFLFSA-N,238.145925
"(S)-4-(2,4-Difluoro-5-(pyrimidin-5-yl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine",C15H14F2N4S,C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F,"InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1",MJQMRGWYPNIERM-HNNXBMFYSA-N,320.090724
6'-O-acetylgeniposide,C19H26O11,CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@H](CC=C3CO)C(=CO2)C(=O)OC)O)O)O,"InChI=1S/C19H26O11/c1-8(21)27-7-12-14(22)15(23)16(24)19(29-12)30-18-13-9(5-20)3-4-10(13)11(6-28-18)17(25)26-2/h3,6,10,12-16,18-20,22-24H,4-5,7H2,1-2H3/t10-,12-,13-,14-,15+,16-,18+,19+/m1/s1",RANJFIZSJJZWRL-BZDYRZRUSA-N,430.1475116
10-O-succinoylgeniposide,C21H28O13,COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2COC(=O)CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,"InChI=1S/C21H28O13/c1-30-19(29)11-8-32-20(34-21-18(28)17(27)16(26)12(6-22)33-21)15-9(2-3-10(11)15)7-31-14(25)5-4-13(23)24/h2,8,10,12,15-18,20-22,26-28H,3-7H2,1H3,(H,23,24)/t10-,12-,15-,16-,17+,18-,20+,21+/m1/s1",HXIKOBSBFWQXOF-NLIZERCJSA-N,488.1529909
p-Coumaroylgeniposidic acid,C25H28O12,C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C(=O)O)CO,"InChI=1S/C25H28O12/c26-9-13-4-7-15-16(23(32)33)10-35-24(19(13)15)37-25-22(31)21(30)20(29)17(36-25)11-34-18(28)8-3-12-1-5-14(27)6-2-12/h1-6,8,10,15,17,19-22,24-27,29-31H,7,9,11H2,(H,32,33)/b8-3+/t15-,17-,19-,20-,21+,22-,24+,25+/m1/s1",XGAAYMVJQOBEJH-KMSLGSAPSA-N,520.1580763
Chrysanthemin,C21H21O11,C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4C(C([C@@H](C(O4)CO)O)O)O)O)O)O)O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16?,17-,18?,19?,21-/m1/s1",RKWHWFONKJEUEF-NPUISUJTSA-O,449.1083865
Puerarol,C25H24O5,CC(=CCC/C(=C/CC1=CC2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)/C)C,"InChI=1S/C25H24O5/c1-14(2)5-4-6-15(3)7-8-16-11-19-22(13-20(16)27)30-25(28)23-18-10-9-17(26)12-21(18)29-24(19)23/h5,7,9-13,26-27H,4,6,8H2,1-3H3/b15-7+",CGMGCGYLRFAMQF-VIZOYTHASA-N,404.1623739
cis-Tephrostachin,C22H22O5,CC(C)(/C=C\C1=C2C(=C(C=C1OC)OC)C(=O)C=C(O2)C3=CC=CC=C3)O,"InChI=1S/C22H22O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-13,24H,1-4H3/b11-10-",CYPXFTCVCNFZNY-KHPPLWFESA-N,366.1467238
"3-[[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]amino]benzoic acid",C33H45N5O9,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC=CC(=C2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N,"InChI=1S/C33H45N5O9/c1-18(2)15-25(37-31(44)27(19(3)4)38-29(42)23(34)13-14-26(39)40)30(43)36-24(16-20-9-6-5-7-10-20)28(41)32(45)35-22-12-8-11-21(17-22)33(46)47/h5-12,17-19,23-25,27-28,41H,13-16,34H2,1-4H3,(H,35,45)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H,46,47)/t23-,24-,25-,27-,28+/m0/s1",JKKZAZQQAOJXQC-WZFFGLSISA-N,655.321728
N-chloromethylbrucine,C24H28ClN2O4,COC1=C(C=C2C(=C1)[C@]34CC[N+]5([C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)CCl)OC,"InChI=1S/C24H28ClN2O4/c1-29-17-8-15-16(9-18(17)30-2)26-21(28)10-19-22-14-7-20-24(15,23(22)26)4-5-27(20,12-25)11-13(14)3-6-31-19/h3,8-9,14,19-20,22-23H,4-7,10-12H2,1-2H3/q+1/t14-,19-,20-,22-,23-,24+,27?/m0/s1",GCEPQLWZBVGLQN-CQIPDZJVSA-N,443.1737601
z-1-Azabicyclo[2.2.2]oct-3-yl alpha-hydroxy-alpha-(1-iodo-1-propen-3-yl)-alpha-phenylacetate,C18H22INO3,C1CN2CCC1C(C2)OC(=O)C(C/C=C\I)(C3=CC=CC=C3)O,"InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4-",MMUQVFDMUDOFSH-WMZJFQQLSA-N,427.06444
N-(5-Isopropyl-thiazol-2-yl)-isobutyramide,C10H16N2OS,CC(C)C1=CN=C(S1)NC(=O)C(C)C,"InChI=1S/C10H16N2OS/c1-6(2)8-5-11-10(14-8)12-9(13)7(3)4/h5-7H,1-4H3,(H,11,12,13)",KZZOJMWYRUFPAM-UHFFFAOYSA-N,212.0983343
"(1R)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-amine",C18H19ClN2,CCC1=CC2C[C@H](C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N,"InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11?,12-/m0/s1",QTPHSDHUHXUYFE-KIYNQFGBSA-N,298.1236763
Isotanshinone II,C18H12O3,CC1=C2C=CC3=C(C2=CC=C1)C4=C(C(=CO4)C)C(=O)C3=O,"InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)18-14(10(2)8-21-18)17(20)16(13)19/h3-8H,1-2H3",ONUSCCKLNWURMA-UHFFFAOYSA-N,276.0786442
Taiwaniaflavone,C30H18O10,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,31-36H",IMKDLTDRZZSWPR-UHFFFAOYSA-N,538.0899968
"(1R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one",C15H18N2O,C/C=C/1\C2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10?,15-/m1/s1",ZRJBHWIHUMBLCN-JYXJEATCSA-N,242.1419132
Debromoflustramine H,C21H30N2O,CC(=CCC/C(=C/C[C@@]12CCN([C@@H]1NC3=C2C(=CC=C3)O)C)/C)C,"InChI=1S/C21H30N2O/c1-15(2)7-5-8-16(3)11-12-21-13-14-23(4)20(21)22-17-9-6-10-18(24)19(17)21/h6-7,9-11,20,22,24H,5,8,12-14H2,1-4H3/b16-11+/t20-,21-/m0/s1",YXIHGJWSWBHRIE-IFLVGUDLSA-N,326.2358136
[1-[2-(Methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-(tritritiomethyl)indole-3-carboxylate,C19H27N3O4S,[3H]C([3H])([3H])N1C=C(C2=CC=CC=C21)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C,"InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3/i1T3",MOZPSIXKYJUTKI-RLXJOQACSA-N,399.1969003
garcihombronane I,C30H48O4,C[C@H](CC/C=C(\C)/C(=O)O)[C@@]1(CC[C@@]2(C1=CC[C@]3([C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C,"InChI=1S/C30H48O4/c1-19(25(32)33)9-8-10-20(2)27(5)17-18-28(6)22(27)13-16-30(34)23(28)12-11-21-26(3,4)24(31)14-15-29(21,30)7/h9,13,20-21,23-24,31,34H,8,10-12,14-18H2,1-7H3,(H,32,33)/b19-9+/t20-,21+,23+,24+,27+,28-,29+,30-/m1/s1",GBEVCPIJOYQRAL-HEGPDJCKSA-N,472.35526
Dehydroapateline,C34H30N2O5,CN1CCC2=CC(=C3C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7=NCCC8=CC(=C(O4)C=C87)O3)O)OC,"InChI=1S/C34H30N2O5/c1-36-12-10-22-17-31(38-2)33-34-32(22)26(36)14-19-3-6-23(7-4-19)39-28-15-20(5-8-27(28)37)13-25-24-18-30(41-34)29(40-33)16-21(24)9-11-35-25/h3-8,15-18,26,37H,9-14H2,1-2H3/t26-/m0/s1",HUUXXMNWOPUALW-SANMLTNESA-N,546.2154721
Trachyloban-19-oicacid,C20H30O2,C[C@@]12CCC[C@]([C@H]1CC[C@]34[C@H]2C[C@H]5[C@@H](C3)[C@@]5(C4)C)(C)C(=O)O,"InChI=1S/C20H30O2/c1-17-6-4-7-18(2,16(21)22)14(17)5-8-20-10-13-12(9-15(17)20)19(13,3)11-20/h12-15H,4-11H2,1-3H3,(H,21,22)/t12-,13+,14-,15-,17+,18-,19+,20-/m0/s1",FLGAFUAMEXILLB-KDGRZGFDSA-N,302.2245802
"(1S,2R)-1-(3,4-Dimethoxyphenyl)-2-[2-methoxy-4-[(E)-1-propenyl]phenoxy]-1-propanol",C21H26O5,C/C=C/C1=CC(=C(C=C1)O[C@H](C)[C@H](C2=CC(=C(C=C2)OC)OC)O)OC,"InChI=1S/C21H26O5/c1-6-7-15-8-10-18(19(12-15)24-4)26-14(2)21(22)16-9-11-17(23-3)20(13-16)25-5/h6-14,21-22H,1-5H3/b7-6+/t14-,21-/m1/s1",NUDWCJJMQATDKB-MWSVELABSA-N,358.1780239
Albanol A,C34H26O8,CC1=C[C@H]2C3[C@H](C1)C4=C(C=C(C=C4)O)O[C@]3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O,"InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33?,34+/m1/s1",MJJWBJFYYRAYKU-WLKQUGLZSA-N,562.1627678
Methyllycanonitine,C37H50N2O10,CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1",XLTANAWLDBYGFU-BVFBBISOSA-N,682.3465458
garcihombronanes C,C31H48O4,C[C@H](C[C@H](/C=C(\C)/C(=O)OC)O)[C@@]1(CC=C2[C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C,"InChI=1S/C31H48O4/c1-19(27(34)35-8)17-21(32)18-20(2)30(6)15-12-24-22-9-10-25-28(3,4)26(33)13-14-29(25,5)23(22)11-16-31(24,30)7/h12,17,20-21,25-26,32-33H,9-11,13-16,18H2,1-8H3/b19-17+/t20-,21+,25+,26-,29-,30+,31-/m1/s1",DSRXFFLSYVPYKU-NVHZQPCMSA-N,484.35526
Flutafuranol (18F),C14H11FN2O2,CNC1=NC(=C(C=C1)C2=CC3=C(O2)C=CC(=C3)O)[18F],"InChI=1S/C14H11FN2O2/c1-16-13-5-3-10(14(15)17-13)12-7-8-6-9(18)2-4-11(8)19-12/h2-7,18H,1H3,(H,16,17)/i15-1",MYNQXTDIPMCJCR-HUYCHCPVSA-N,257.08299
"(1R)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one",C15H18N2O,CC=C1C2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/t10?,15-/m1/s1",ZRJBHWIHUMBLCN-GENIYJEYSA-N,242.1419132
"1H-Imidazo[4,5-F]quinazoline",C9H6N4,C1=CC2=NC=NC=C2C3=C1NC=N3,"InChI=1S/C9H6N4/c1-2-8-9(13-5-12-8)6-3-10-4-11-7(1)6/h1-5H,(H,12,13)",SVDBONWIXMGDMM-UHFFFAOYSA-N,170.0592462
beta-Nicotinamide adenine dinucleotide 2'-phosphate reduced,C21H30N7O17P3,C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCC3[C@@H]([C@@H]([C@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11?,13-,14+,15-,16+,20-,21+/m1/s1",ACFIXJIJDZMPPO-LDBYJUDISA-N,745.0911035
6-chloro-N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4H-chromene-2-carboxamide,C22H23ClN2O3,CCN(CC)C(CNC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl)C3=CC=CC=C3,"InChI=1S/C22H23ClN2O3/c1-3-25(4-2)18(15-8-6-5-7-9-15)14-24-22(27)21-13-19(26)17-12-16(23)10-11-20(17)28-21/h5-13,18H,3-4,14H2,1-2H3,(H,24,27)",QQNKHEQNUVRSAX-UHFFFAOYSA-N,398.1397203
Lycopic acid B,C36H30O16,C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC3=C(C=C2)O[C@@H]([C@@H](O3)C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O,"InChI=1S/C36H30O16/c37-21-6-1-18(11-24(21)40)14-29(34(44)45)49-31(43)10-4-17-3-9-27-28(13-17)51-33(32(50-27)20-5-8-23(39)26(42)16-20)36(48)52-30(35(46)47)15-19-2-7-22(38)25(41)12-19/h1-13,16,29-30,32-33,37-42H,14-15H2,(H,44,45)(H,46,47)/b10-4+/t29-,30-,32-,33-/m1/s1",MJKIULPREOUSIK-PNQPAMRJSA-N,718.1533849
H2N-Cys-Leu-Pro-Phe-Phe-Asp-NH2,C36H49N7O8S,CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@H](CS)N,"InChI=1S/C36H49N7O8S/c1-21(2)16-28(42-32(47)24(37)20-52)36(51)43-15-9-14-29(43)35(50)41-27(18-23-12-7-4-8-13-23)34(49)40-26(17-22-10-5-3-6-11-22)33(48)39-25(31(38)46)19-30(44)45/h3-8,10-13,21,24-29,52H,9,14-20,37H2,1-2H3,(H2,38,46)(H,39,48)(H,40,49)(H,41,50)(H,42,47)(H,44,45)/t24-,25-,26-,27-,28-,29-/m0/s1",WLLSMSXIXKBYRJ-AQRCPPRCSA-N,739.3363327
Suspensolide F,C21H34O12,CC(C)CC(=O)O[C@H]1[C@H]2[C@H](C[C@@H]([C@@]2(CO)O)O)C(=CO1)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,"InChI=1S/C21H34O12/c1-9(2)3-14(25)33-19-15-11(4-13(24)21(15,29)8-23)10(6-30-19)7-31-20-18(28)17(27)16(26)12(5-22)32-20/h6,9,11-13,15-20,22-24,26-29H,3-5,7-8H2,1-2H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1",HOCKGUMMVOPFFC-RHMPUOGUSA-N,478.2050265
Simufilam,C15H21N3O,CN1CCC2(CC1)NCC(=O)N2CC3=CC=CC=C3,"InChI=1S/C15H21N3O/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3",BSQPTZYKCAULBH-UHFFFAOYSA-N,259.1684623
Unii-4jeh3BL51N,C18H20N4O2S,CC1=NC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2N4CCNCC4,"InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3",MAYQIFVKVAUMPD-UHFFFAOYSA-N,356.1306971
"3-[(1S,2S)-2-Hydroxycyclohexyl]-6-[(6-methyl-3-pyridinyl)methyl]benzo[h]quinazolin-4(3H)-one",C25H25N3O2,CC1=NC=C(C=C1)CC2=CC3=C(C4=CC=CC=C42)N=CN(C3=O)[C@H]5CCCC[C@@H]5O,"InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1",JUVQLZBJFOGEEO-GOTSBHOMSA-N,399.1946771
"(R)-3-(3,4-Dihydroxyphenyl)-2-[3-[7-hydroxy-2-(3,4-dihydroxyphenyl)-3-[[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]oxycarbonyl]benzofuran-5-yl]propenoyloxy]propionic acid",C36H28O16,C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC3=C(C(=C2)O)OC(=C3C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O,"InChI=1S/C36H28O16/c37-21-5-1-17(10-24(21)40)13-28(34(45)46)50-30(44)8-3-16-9-20-31(32(52-33(20)27(43)12-16)19-4-7-23(39)26(42)15-19)36(49)51-29(35(47)48)14-18-2-6-22(38)25(41)11-18/h1-12,15,28-29,37-43H,13-14H2,(H,45,46)(H,47,48)/b8-3+/t28-,29-/m1/s1",KROVXXIIXUFKOO-NGJWAYPNSA-N,716.1377348
"(s)-1-(2,8-Dimethyl-1-thia-3,8-diazaspiro[4.5]dec-3-yl)-3-(1h-indol-3-yl)propan-1-one",C20H27N3OS,C[C@H]1N(CC2(S1)CCN(CC2)C)C(=O)CCC3=CNC4=CC=CC=C43,"InChI=1S/C20H27N3OS/c1-15-23(14-20(25-15)9-11-22(2)12-10-20)19(24)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13,15,21H,7-12,14H2,1-2H3/t15-/m0/s1",XWMHYQATSBWUNT-HNNXBMFYSA-N,357.1874837
"2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-",C23H23FN4S,CCC1=CC(=C(C=C1C)C)NC2=NC(=CS2)C3=CC(=C(C=C3)N4C=C(N=C4)C)F,"InChI=1S/C23H23FN4S/c1-5-17-10-20(15(3)8-14(17)2)26-23-27-21(12-29-23)18-6-7-22(19(24)9-18)28-11-16(4)25-13-28/h6-13H,5H2,1-4H3,(H,26,27)",WDEKUGNKKOGFOA-UHFFFAOYSA-N,406.1627461
"Ethyl 5-Amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate",C16H19N3O2,CCOC(=O)C1=C(N=C2C(=C1)C(=C3CCCCC3=N2)N)C,"InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)",XGQUEKANWWMGAJ-UHFFFAOYSA-N,285.1477269
Avagacestat,C20H17ClF4N4O4S,C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl,"InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1",XEAOPVUAMONVLA-QGZVFWFLSA-N,520.0595166
N-[(4-bromophenyl)methyl]-4-chloro-N-[(3R)-hexahydro-2-oxo-1H-azepin-3-yl]-Benzenesulfonamide,C19H20BrClN2O3S,C1CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Cl,"InChI=1S/C19H20BrClN2O3S/c20-15-6-4-14(5-7-15)13-23(18-3-1-2-12-22-19(18)24)27(25,26)17-10-8-16(21)9-11-17/h4-11,18H,1-3,12-13H2,(H,22,24)/t18-/m1/s1",KTCJYACFOQWRDO-GOSISDBHSA-N,470.00665
"(2s,3s)-3-(3,5-Dihydroxyphenyl)-2-(4-Hydroxyphenyl)-4-[(E)-2-(4-Hydroxyphenyl)ethenyl]-2,3-Dihydro-1-Benzofuran-6-Yl Beta-D-Glucopyranoside",C34H32O11,C1=CC(=CC=C1/C=C/C2=C3[C@@H]([C@H](OC3=CC(=C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)O,"InChI=1S/C34H32O11/c35-16-27-30(40)31(41)32(42)34(45-27)43-25-13-19(4-1-17-2-7-21(36)8-3-17)28-26(15-25)44-33(18-5-9-22(37)10-6-18)29(28)20-11-23(38)14-24(39)12-20/h1-15,27,29-42H,16H2/b4-1+/t27-,29+,30-,31+,32-,33-,34-/m1/s1",NHYFNLFVNSLRES-YNVKLIFMSA-N,616.1944618
Blarcamesine,C19H23NO,CN(C)CC1CCOC1(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C19H23NO/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3",BOTHKNZTGGXFEQ-UHFFFAOYSA-N,281.1779644
"(1R,3aS,5aR,5bR,9S,11aR)-1-isopropenyl-9-[2-[methoxy-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]amino]acetyl]oxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",C39H63NO9,C[C@H]1[C@@H]([C@H]([C@H](C(O1)N(CC(=O)O[C@H]2CC[C@@]3(C4CCC5C6[C@@H](CC[C@@]6(CC[C@]5([C@@]4(CCC3C2(C)C)C)C)C(=O)O)C(=C)C)C)OC)O)O)O,"InChI=1S/C39H63NO9/c1-21(2)23-12-17-39(34(45)46)19-18-37(7)24(29(23)39)10-11-26-36(6)15-14-27(35(4,5)25(36)13-16-38(26,37)8)49-28(41)20-40(47-9)33-32(44)31(43)30(42)22(3)48-33/h22-27,29-33,42-44H,1,10-20H2,2-9H3,(H,45,46)/t22-,23-,24?,25?,26?,27-,29?,30-,31+,32+,33?,36-,37+,38+,39-/m0/s1",JXUZILUNMVXMRD-DEVILVAXSA-N,689.4502826
"5-oxo-5H-furo[3,2-g]chromene-6-carbaldehyde",C14H12O6,COC1=C2C(C(=COC2=C(C3=C1C=CO3)OC)C=O)O,"InChI=1S/C14H12O6/c1-17-11-8-3-4-19-12(8)14(18-2)13-9(11)10(16)7(5-15)6-20-13/h3-6,10,16H,1-2H3",XJJJLICCTKMUNX-UHFFFAOYSA-N,276.0633881
(1-Butylpiperidin-4-yl)methyl 4-amino-3-methoxybenzoate,C18H28N2O3,CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C=C2)N)OC,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3",DZZIAERGLDKTBT-UHFFFAOYSA-N,320.2099928
"N-(3-((4aS,7aS)-2-amino-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinamide",C18H16F2N4O2S,C1[C@H]2CSC(=N[C@]2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)F)F)N,"InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1",NIDRNVHMMDAAIK-YPMLDQLKSA-N,390.0962033
3-(3-Aminomethyl-phenylazo)phenyl-acetic acid,C15H15N3O2,C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)CN)CC(=O)O,"InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)",RHNJRPYVLIXHAK-UHFFFAOYSA-N,269.1164267
"(R)-2-(4-Chloro-N-(2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl)-phenylsulfonamido)-5,5,5-trifluoropentanamide",C20H17ClF4N4O4S,C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)Cl,"InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)",XEAOPVUAMONVLA-UHFFFAOYSA-N,520.0595166
"(2-hydroxy-3-sulfopropyl)-dimethyl-[3-[[(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azanium",C32H59N2O8S,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3C2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,"InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21+,22-,23?,24-,25+,26+,27?,28+,30?,31+,32-/m1/s1",GUQQBLRVXOUDTN-KGNXNHQLSA-O,631.399213
Unii-E3dsh8LL4L,C19H20N4O2,CCCOC1=CC=C(C=C1)[C@H]2CNC(=O)N2C3=CC4=C(C=C3)N=CN4,"InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1",XHIKZWOEFZENIX-GOSISDBHSA-N,336.1586259
1-(2-Nitrophenyl)ethylsulfate,C8H9NO6S,CC(C1=CC=CC=C1[N+](=O)[O-])OS(=O)(=O)O,"InChI=1S/C8H9NO6S/c1-6(15-16(12,13)14)7-4-2-3-5-8(7)9(10)11/h2-6H,1H3,(H,12,13,14)",CZYUMQYCQYJCSF-UHFFFAOYSA-N,247.0150582
Lyso-GM1,C55H97N3O30,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)N)O,"InChI=1S/C55H97N3O30/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(66)27(56)24-79-51-43(75)41(73)45(33(22-62)82-51)84-53-44(76)49(88-55(54(77)78)18-29(67)35(57-25(2)64)48(87-55)37(69)30(68)19-59)46(34(23-63)83-53)85-50-36(58-26(3)65)47(39(71)32(21-61)80-50)86-52-42(74)40(72)38(70)31(20-60)81-52/h16-17,27-53,59-63,66-76H,4-15,18-24,56H2,1-3H3,(H,57,64)(H,58,65)(H,77,78)/b17-16+/t27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47+,48+,49+,50-,51+,52-,53-,55-/m0/s1",ARKDJZHBBZECNE-LSYRYXEQSA-N,1279.615689
Verubecestat,C17H17F2N5O3S,C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)F)F,"InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1",YHYKUSGACIYRML-KRWDZBQOSA-N,409.1020169
"[(2R)-3,4-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2H-1-benzopyran-7-yl]beta-D-glucopyranosiduronic acid",C21H20O11,C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O,"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13-,16+,17+,18-,19+,21-/m1/s1",BDCRTIDKZGEVEN-ZJIWIORTSA-N,448.1005615
"2-(S)-(3,5-Bis(4-(trifluoromethyl)phenyl)phenyl)-4-methylpentanoic acid",C26H22F6O2,CC(C)C[C@@H](C1=CC(=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)O,"InChI=1S/C26H22F6O2/c1-15(2)11-23(24(33)34)20-13-18(16-3-7-21(8-4-16)25(27,28)29)12-19(14-20)17-5-9-22(10-6-17)26(30,31)32/h3-10,12-15,23H,11H2,1-2H3,(H,33,34)/t23-/m0/s1",RQOWDDLKGBMJFX-QHCPKHFHSA-N,480.1523989
Z-Val-Lys-Met-AMC,C34H45N5O7S,CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3,"InChI=1S/C34H45N5O7S/c1-21(2)30(39-34(44)45-20-23-10-6-5-7-11-23)33(43)38-26(12-8-9-16-35)32(42)37-27(15-17-47-4)31(41)36-24-13-14-25-22(3)18-29(40)46-28(25)19-24/h5-7,10-11,13-14,18-19,21,26-27,30H,8-9,12,15-17,20,35H2,1-4H3,(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t26-,27-,30-/m0/s1",QVSKZGQYQLYCFO-VWYPKUQYSA-N,667.30397
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)cyclopentanamine,C18H21FN2O,COC1=C(C=CC(=C1)F)C2=CN=CC(=C2)CNC3CCCC3,"InChI=1S/C18H21FN2O/c1-22-18-9-15(19)6-7-17(18)14-8-13(10-20-12-14)11-21-16-4-2-3-5-16/h6-10,12,16,21H,2-5,11H2,1H3",CKMRXGUDSNAKMN-UHFFFAOYSA-N,300.1637915
[3H]Cytisine,C11H14N2O,[3H]C1=CC(=C2[C@@H]3C[C@@H](CNC3)CN2C1=O)[3H],"InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1/i2T,3T",ANJTVLIZGCUXLD-ZIAKYUPESA-N,194.1270616
[3H]Pirenzepine,C19H21N5O2,[3H]C([3H])([3H])N1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4,"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)/i1T3",RMHMFHUVIITRHF-RLXJOQACSA-N,357.1941977
N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine,C29H37N3O,CN1C2=C(C=C(C=C2)OCCCC3CCN(CC3)CC4=CC=CC=C4)C=C1CN(C)CC#C,"InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3",ADCBAOTWERXLAP-UHFFFAOYSA-N,443.2936628
"17,18-Dihydroxyeicosa-5,8,11,14-tetraenoic acid",C20H32O4,CCC(C(CC=CCC=CCC=CCC=CCCCC(=O)O)O)O,"InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)",XYDVGNAQQFWZEF-UHFFFAOYSA-N,336.2300595
alpha-Methyl-4-hydroxyphenylalanine amide,C10H14N2O2,C[C@](CC1=CC=C(C=C1)O)(C(=O)N)N,"InChI=1S/C10H14N2O2/c1-10(12,9(11)14)6-7-2-4-8(13)5-3-7/h2-5,13H,6,12H2,1H3,(H2,11,14)/t10-/m0/s1",BFBXBELLTSZNEF-JTQLQIEISA-N,194.1055277
5-Pyridin-3-yl-pent-4-en-3-ol,C10H13NO,CCC(C=CC1=CN=CC=C1)O,"InChI=1S/C10H13NO/c1-2-10(12)6-5-9-4-3-7-11-8-9/h3-8,10,12H,2H2,1H3",GTKFPSKFOOXCRI-UHFFFAOYSA-N,163.099714
Hydroxyphenyl benzimidazole,C13H10N2O,C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3O,"InChI=1S/C13H10N2O/c16-11-8-4-7-10-12(11)15-13(14-10)9-5-2-1-3-6-9/h1-8,16H,(H,14,15)",HJJXCBIOYBUVBH-UHFFFAOYSA-N,210.0793129
N-Methyl-5-(pyridin-3-yl)pent-4-en-2-amine,C11H16N2,CC(CC=CC1=CN=CC=C1)NC,"InChI=1S/C11H16N2/c1-10(12-2)5-3-6-11-7-4-8-13-9-11/h3-4,6-10,12H,5H2,1-2H3",IEVJOUFGBRDCNE-UHFFFAOYSA-N,176.1313485
SB 202026; Skb 202026,C10H15N3O,CON=C(C#N)C1CN2CCC1CC2,"InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3",IQWCBYSUUOFOMF-UHFFFAOYSA-N,193.1215121
"Cholesta-4,6-diene-3beta-ol",C27H44O,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(CC[C@]34C)O)C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,21-25,28H,6-8,11-16H2,1-5H3/t19-,21?,22+,23-,24+,25+,26+,27-/m1/s1",KIULDMFHZZHYKZ-FNOPAARDSA-N,384.339216
"1,1-Dicyano-[2-(6-dimethylamino)naphthalen-2-yl]propene",C17H15N3,CC(=C(C#N)C#N)C1=C(C2=CC=CC=C2C=C1)N(C)C,"InChI=1S/C17H15N3/c1-12(14(10-18)11-19)15-9-8-13-6-4-5-7-16(13)17(15)20(2)3/h4-9H,1-3H3",LUCDXIDVIQZGOG-UHFFFAOYSA-N,261.1265975
Tetrahydrobenzisoxazole,C7H9NO,C1C=CC=C2C1CNO2,"InChI=1S/C7H9NO/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4,6,8H,3,5H2",OJINISLICGANNQ-UHFFFAOYSA-N,123.0684139
n-(2-Chloroethyl)-n-ethyl-bromo-benzylamine,C11H15BrClN,CCN(CCCl)C(C1=CC=CC=C1)Br,"InChI=1S/C11H15BrClN/c1-2-14(9-8-13)11(12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3",PQZNTSGNROKNBK-UHFFFAOYSA-N,275.00764
Indolylthiourea,C9H9N3S,C1=CC=C2C(=C1)C=C(N2)NC(=S)N,"InChI=1S/C9H9N3S/c10-9(13)12-8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H3,10,12,13)",QUKIOAZEKOWFPJ-UHFFFAOYSA-N,191.0517185
2-(1-(6-[(2-(P-Toluolsulfonyloxy)ethyl)(methyl)amino]-2-naphthyl)ethylidene)malonitrile,C25H23N3O3S,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)C2=CC3=C(C=C2)C=C(C=C3)C(=C(C#N)C#N)C,"InChI=1S/C25H23N3O3S/c1-18-4-10-25(11-5-18)32(29,30)31-13-12-28(3)24-9-8-21-14-20(6-7-22(21)15-24)19(2)23(16-26)17-27/h4-11,14-15H,12-13H2,1-3H3",RIFDQCDPALCGDH-UHFFFAOYSA-N,445.1460128
Diphenylalanine,C15H15NO2,C[C@@H](C(=O)O)N(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C15H15NO2/c1-12(15(17)18)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,18)/t12-/m0/s1",SAUDSWFPPKSVMK-LBPRGKRZSA-N,241.1102787
Cyanophenylalanine,C10H10N2O2,C1=CC=C(C=C1)C[C@@H](C(=O)O)NC#N,"InChI=1S/C10H10N2O2/c11-7-12-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,9,12H,6H2,(H,13,14)/t9-/m0/s1",YESKNMSFHFWRFK-VIFPVBQESA-N,190.0742276
Amino methylene triazole,C3H4N4,C=C1C(=NN=N1)N,"InChI=1S/C3H4N4/c1-2-3(4)6-7-5-2/h1H2,(H2,4,5,6)",YJFUXGTVSCZIBW-UHFFFAOYSA-N,96.04359615
"3,4-Dihydrobenzoquinoline",C13H11N,C1CC2=C(C3=CC=CC=C3C=C2)N=C1,"InChI=1S/C13H11N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-2,4,6-9H,3,5H2",YMMLNFGRRHBZNM-UHFFFAOYSA-N,181.0891494
Ethylene dicysteinate,C8H16N2O4S2,C(COC(=O)[C@H](CS)N)OC(=O)[C@H](CS)N,"InChI=1S/C8H16N2O4S2/c9-5(3-15)7(11)13-1-2-14-8(12)6(10)4-16/h5-6,15-16H,1-4,9-10H2/t5-,6-/m0/s1",ZKQGPGQHFHJBIX-WDSKDSINSA-N,268.0551493
[3H]vesamicol,C17H25NO,[3H]OC1CCCCC1N2CCC(CC2)C3=CC=CC=C3,"InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/i19T",YSSBJODGIYRAMI-SETVJMCQSA-N,261.2018387
"[(2R,3R,5S,6S,8R,9R,10R,13S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate",C37H50N2O10,CCN1C[C@@]2(CCC(C34[C@@H]2[C@@H]([C@]([C@@H]31)([C@]5(C[C@@H]([C@@H]6C[C@@H]4[C@@H]5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22+,24-,25?,27+,28?,29+,30-,33+,34-,35+,36?,37-/m0/s1",XLTANAWLDBYGFU-CBZNYASWSA-N,682.3465458
7-(4-(Diethylamino)butoxy)-5-hydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one,C23H27NO5,CCN(CC)CCCCOC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O,"InChI=1S/C23H27NO5/c1-3-24(4-2)11-5-6-12-28-18-13-20(26)22-21(14-18)29-15-19(23(22)27)16-7-9-17(25)10-8-16/h7-10,13-15,25-26H,3-6,11-12H2,1-2H3",QESLWZFHJYKHOG-UHFFFAOYSA-N,397.188923
3-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}-4-hydroxy-2H-chromen-2-one,C20H17NO4,CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=CC=CC=C3OC2=O)O,"InChI=1S/C20H17NO4/c1-21(2)14-10-7-13(8-11-14)9-12-16(22)18-19(23)15-5-3-4-6-17(15)25-20(18)24/h3-12,23H,1-2H3/b12-9+",RGEZPZWWPVZCIT-FMIVXFBMSA-N,335.115758
n-Butyl ganoderate H,C36H52O9,CCCCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)OC(=O)C)C)C,"InChI=1S/C36H52O9/c1-10-11-14-44-32(43)20(3)16-22(38)15-19(2)23-17-27(41)36(9)28-24(39)18-25-33(5,6)26(40)12-13-34(25,7)29(28)30(42)31(35(23,36)8)45-21(4)37/h19-20,23,25-26,31,40H,10-18H2,1-9H3/t19-,20?,23-,25+,26+,31-,34+,35+,36+/m1/s1",MAUFFTGQSVHXFC-AWLFVXQHSA-N,628.3611332
Nqtrp,C21H16N2O4,C1=CC=C2C(=C1)C(=O)C=C(C2=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O,"InChI=1S/C21H16N2O4/c24-19-10-17(20(25)15-7-2-1-6-14(15)19)23-18(21(26)27)9-12-11-22-16-8-4-3-5-13(12)16/h1-8,10-11,18,22-23H,9H2,(H,26,27)/t18-/m0/s1",DZZUYZXINNHEGM-SFHVURJKSA-N,360.111007
Glycine pentafluorophenyl ester,C8H4F5NO2,C(C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)N,"InChI=1S/C8H4F5NO2/c9-3-4(10)6(12)8(7(13)5(3)11)16-2(15)1-14/h1,14H2",WMCIGPXUPCZQSL-UHFFFAOYSA-N,241.0162192
11-O-Vanilloylbergenin,C22H22O12,COC1=C(C=CC(=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)C4=C(C(=C(C=C4C(=O)O3)O)OC)O)O)O)O,"InChI=1S/C22H22O12/c1-30-12-5-8(3-4-10(12)23)21(28)32-7-13-15(25)17(27)20-19(33-13)14-9(22(29)34-20)6-11(24)18(31-2)16(14)26/h3-6,13,15,17,19-20,23-27H,7H2,1-2H3/t13-,15-,17+,19+,20-/m1/s1",HELCDCXFJZSWJS-YJLWDSPXSA-N,478.1111261
"(NE)-N-[3-[[2,2-dimethyl-3-[[(3E)-3-oxidoiminobutan-2-yl]amino]propyl]amino]butan-2-ylidene]hydroxylamine",C13H27N4O2,CC(/C(=N/O)/C)NCC(C)(C)CNC(C)/C(=N/[O-])/C,"InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/p-1/b16-11+,17-12+",BPNZYADGDZPRTK-MAEUFBSDSA-M,271.2134011
"5,6-Dimethoxy benzofuranone",C10H10O4,COC1=C(C=C2C(=C1)CC(=O)O2)OC,"InChI=1S/C10H10O4/c1-12-8-3-6-4-10(11)14-7(6)5-9(8)13-2/h3,5H,4H2,1-2H3",NGHFIZXALYZIIS-UHFFFAOYSA-N,194.0579088
3-Hydroxyevodiamine,C19H17N3O2,CN1C2C3=C(CCN2C(=O)C4=C1C=CC(=C4)O)C5=CC=CC=C5N3,"InChI=1S/C19H17N3O2/c1-21-16-7-6-11(23)10-14(16)19(24)22-9-8-13-12-4-2-3-5-15(12)20-17(13)18(21)22/h2-7,10,18,20,23H,8-9H2,1H3",HJMRPVURQRIKJZ-UHFFFAOYSA-N,319.1320768
Binospirone,C20H26N2O4,C1CCC2(C1)CC(=O)N(C(=O)C2)CCNCC3COC4=CC=CC=C4O3,"InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2",BVMYCHKQPGEOSI-UHFFFAOYSA-N,358.1892573
Trihydroxychalcone,C15H12O4,C1=CC=C(C=C1)C(=O)C=CC2=C(C(=C(C=C2)O)O)O,"InChI=1S/C15H12O4/c16-12(10-4-2-1-3-5-10)8-6-11-7-9-13(17)15(19)14(11)18/h1-9,17-19H",SERQFHAVLYPAHE-UHFFFAOYSA-N,256.0735589
Unii-gkk5LY2uei,C24H18ClF3N4O3,C1=CC(=CC=C1CCOC2=NC=C(C(=O)N2)CC3=CN=CN=C3)OC4=CC(=C(C=C4)Cl)C(F)(F)F,"InChI=1S/C24H18ClF3N4O3/c25-21-6-5-19(10-20(21)24(26,27)28)35-18-3-1-15(2-4-18)7-8-34-23-31-13-17(22(33)32-23)9-16-11-29-14-30-12-16/h1-6,10-14H,7-9H2,(H,31,32,33)",DRACNSAQZFZUKW-UHFFFAOYSA-N,502.1019526
Trachyloban-19-oic acid,C20H30O2,C[C@@]12CCC[C@]([C@H]1CC[C@]34[C@H]2C[C@@H]5[C@H](C3)[C@@]5(C4)C)(C)C(=O)O,"InChI=1S/C20H30O2/c1-17-6-4-7-18(2,16(21)22)14(17)5-8-20-10-13-12(9-15(17)20)19(13,3)11-20/h12-15H,4-11H2,1-3H3,(H,21,22)/t12-,13+,14+,15+,17-,18+,19-,20+/m1/s1",FLGAFUAMEXILLB-BCXNIRJGSA-N,302.2245802
Florbetapir,C20H25FN2O3,CNC1=CC=C(C=C1)/C=C/C2=CN=C(C=C2)OCCOCCOCCF,"InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+",YNDIAUKFXKEXSV-NSCUHMNNSA-N,360.1849208
Methyl ganoderate A acetonide,C34H50O7,C[C@H](CC(=O)C[C@@H](C)C(=O)OC)[C@H]1C[C@H]2[C@@]3([C@@]1(CC(=O)C4=C3[C@H](C[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)OC(O2)(C)C)C)C,"InChI=1S/C34H50O7/c1-18(13-20(35)14-19(2)29(38)39-10)21-15-26-34(9)28-23(40-31(5,6)41-26)16-24-30(3,4)25(37)11-12-32(24,7)27(28)22(36)17-33(21,34)8/h18-19,21,23-24,26H,11-17H2,1-10H3/t18-,19-,21-,23+,24+,26+,32+,33-,34+/m1/s1",UPFROXHCAPHGNO-MHOQKGQJSA-N,570.3556539
"4-methoxy-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazole]-4''-amine",C26H28N4O,CC#CC1=CC(=CN=C1)C2=CC3=C(CC4(C35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2,"InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)",WKDNQONLGXOZRG-UHFFFAOYSA-N,412.2263115
Claulansine F,C19H17NO3,CC1(C=CC2=C(O1)C(=CC3=C2NC4=C3C=C(C=C4)OC)C=O)C,"InChI=1S/C19H17NO3/c1-19(2)7-6-13-17-15(8-11(10-21)18(13)23-19)14-9-12(22-3)4-5-16(14)20-17/h4-10,20H,1-3H3",QBWFLAHUWCLAKK-UHFFFAOYSA-N,307.1208434
Tacrine-6-ferulic acid,C29H35N3O3,COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCCCNC2=C3CCCCC3=NC4=CC=CC=C42)O,"InChI=1S/C29H35N3O3/c1-35-27-20-21(14-16-26(27)33)15-17-28(34)30-18-8-2-3-9-19-31-29-22-10-4-6-12-24(22)32-25-13-7-5-11-23(25)29/h4,6,10,12,14-17,20,33H,2-3,5,7-9,11,13,18-19H2,1H3,(H,30,34)(H,31,32)/b17-15+",KKKODFFFJFQMSI-BMRADRMJSA-N,473.267842
Elenbecestat,C19H18F3N5O2S,C[C@@H]1[C@H]2CSC(=N[C@]2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(N=C4)C(F)F)F)N,"InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1",AACUJFVOHGRMTR-DPXNYUHVSA-N,437.1133305
Aminothienopyridine,C7H6N2S,C1=CC2=C(C=C(S2)N)N=C1,"InChI=1S/C7H6N2S/c8-7-4-5-6(10-7)2-1-3-9-5/h1-4H,8H2",BLSWGDUCSOLUNT-UHFFFAOYSA-N,150.0251694
"(2S,4R)-1-((1R)-1-(4-Chlorophenyl)-4-methylpentyl)-2-(4-(trifluoromethyl)phenyl)piperidine-4-acetic acid",C26H31ClF3NO2,CC(C)CC[C@H](C1=CC=C(C=C1)Cl)N2CC[C@H](C[C@H]2C3=CC=C(C=C3)C(F)(F)F)CC(=O)O,"InChI=1S/C26H31ClF3NO2/c1-17(2)3-12-23(19-6-10-22(27)11-7-19)31-14-13-18(16-25(32)33)15-24(31)20-4-8-21(9-5-20)26(28,29)30/h4-11,17-18,23-24H,3,12-16H2,1-2H3,(H,32,33)/t18-,23-,24+/m1/s1",VMVWLAPASRQXFL-QFWMQHCXSA-N,481.1995414
"N-(3-((4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide",C19H19F2N5O3S,COC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)[C@]34CO[C@@H]([C@H]3CSC(=N4)N)CF,"InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/t12-,15-,19-/m1/s1",YZXTXNWZTAVDKH-KPAZRMRSSA-N,435.117667
"2-[(2S,4R)-1-[(4R)-1,1,1-trifluoro-7-methyloctan-4-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid",C23H31F6NO2,CC(C)CC[C@H](CCC(F)(F)F)N1CC[C@H](C[C@H]1C2=CC=C(C=C2)C(F)(F)F)CC(=O)O,"InChI=1S/C23H31F6NO2/c1-15(2)3-8-19(9-11-22(24,25)26)30-12-10-16(14-21(31)32)13-20(30)17-4-6-18(7-5-17)23(27,28)29/h4-7,15-16,19-20H,3,8-14H2,1-2H3,(H,31,32)/t16-,19-,20+/m1/s1",BVLMNAGIBUYCDM-AHRSYUTCSA-N,467.2258982
"(3R,5S,7aS)-[3,5-Bis(4-fluorophenyl)tetrahydro-1H-oxazolo[3,4-c]oxazol-7a-yl]methanol",C18H17F2NO3,C1C2(CO[C@H](N2[C@@H](O1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CO,"InChI=1S/C18H17F2NO3/c19-14-5-1-12(2-6-14)16-21-17(13-3-7-15(20)8-4-13)24-11-18(21,9-22)10-23-16/h1-8,16-17,22H,9-11H2/t16-,17-/m0/s1",AEZQGSQEXPUADE-IRXDYDNUSA-N,333.1176497
IKK-beta inhibitor R-28,C22H23FN2O3S,CC1(C[C@@H](CCS1(=O)=O)C2=CNC3=C2C=C(C=C3C(=O)N)C4=CC=C(C=C4)F)C,"InChI=1S/C22H23FN2O3S/c1-22(2)11-14(7-8-29(22,27)28)19-12-25-20-17(19)9-15(10-18(20)21(24)26)13-3-5-16(23)6-4-13/h3-6,9-10,12,14,25H,7-8,11H2,1-2H3,(H2,24,26)/t14-/m1/s1",YGYGASJNJTYNOL-CQSZACIVSA-N,414.1413419
6-((E)-2-(5-((E)-2-methoxy-4-(pyridin-2-ylmethoxy)styryl)-1H-pyrazol-3-yl)vinyl)-1H-indole,C28H24N4O2,COC1=C(C=CC(=C1)OCC2=CC=CC=N2)/C=C/C3=CC(=NN3)/C=C/C4=CC5=C(C=C4)C=CN5,"InChI=1S/C28H24N4O2/c1-33-28-18-26(34-19-25-4-2-3-14-29-25)12-9-22(28)8-11-24-17-23(31-32-24)10-6-20-5-7-21-13-15-30-27(21)16-20/h2-18,30H,19H2,1H3,(H,31,32)/b10-6+,11-8+",AMBZHNVCLPHAKA-NSJFVGFPSA-N,448.189926
Cevimeline,C10H17NOS,CC1OC2(CN3CCC2CC3)CS1,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3",WUTYZMFRCNBCHQ-UHFFFAOYSA-N,199.1030853
Thienotriazine,C5H3N3S,C1=CSC2=CN=NN=C21,InChI=1S/C5H3N3S/c1-2-9-5-3-6-8-7-4(1)5/h1-3H,DDXXAXFVICOMLN-UHFFFAOYSA-N,137.0047683
NB-360 HCl,C21H19F4N5O2,CC1=CC(=CN=C1C(=O)NC2=CC(=C(C=C2)F)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)C#N,"InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1",BQFHTVUWPJXLOW-VQTJNVASSA-N,449.1474875
"(4r)-2-Amino-1,3',3'-Trimethyl-7'-(Pyrimidin-5-Yl)-3',4'-Dihydro-2'h-Spiro[imidazole-4,1'-Naphthalen]-5(1h)-One",C19H21N5O,CC1(CC2=C(C=C(C=C2)C3=CN=CN=C3)[C@]4(C1)C(=O)N(C(=N4)N)C)C,"InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1",UPOMBIAVTOFWMY-LJQANCHMSA-N,335.1746103
2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoic acid,C15H19N3O3,CC(C)(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N,"InChI=1S/C15H19N3O3/c1-15(2,14(20)21)18-13(19)11(16)7-9-8-17-12-6-4-3-5-10(9)12/h3-6,8,11,17H,7,16H2,1-2H3,(H,18,19)(H,20,21)",SHAXSXUDZJSSCN-UHFFFAOYSA-N,289.1426415
Pyrroloindole,C10H6N2,C1=CC2=NC=CC2=C3C1=CC=N3,InChI=1S/C10H6N2/c1-2-9-8(4-6-11-9)10-7(1)3-5-12-10/h1-6H,ZCOSUVZGFDGWFV-UHFFFAOYSA-N,154.0530982
Aminothienopyridazine,C6H5N3S,C1=CSC2=CC(=NN=C21)N,"InChI=1S/C6H5N3S/c7-6-3-5-4(8-9-6)1-2-10-5/h1-3H,(H2,7,9)",WGUNVTCKLNFADW-UHFFFAOYSA-N,151.0204184
Aminothiazine,C4H6N2S,C1=CSNC(=C1)N,"InChI=1S/C4H6N2S/c5-4-2-1-3-7-6-4/h1-3,6H,5H2",JOPJLJTXWMIJKO-UHFFFAOYSA-N,114.0251694
Chalcone diol,C15H12O3,C1=CC=C(C=C1)C(=O)C=CC2=C(C(=CC=C2)O)O,"InChI=1S/C15H12O3/c16-13(11-5-2-1-3-6-11)10-9-12-7-4-8-14(17)15(12)18/h1-10,17-18H",FCBJFMXAMYKDOA-UHFFFAOYSA-N,240.0786442
"Hexahydropyrrolo[2,3-b]indole",C10H12N2,C1CN=C2C1C3CC=CC=C3N2,"InChI=1S/C10H12N2/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-2,4,7-8H,3,5-6H2,(H,11,12)",YGOCXQYLEOWQNL-UHFFFAOYSA-N,160.1000484
Alicapistat,C25H27N3O4,C1CC(=O)N([C@H]1C(=O)NC(CC2=CC=CC=C2)C(=O)C(=O)NC3CC3)CC4=CC=CC=C4,"InChI=1S/C25H27N3O4/c29-22-14-13-21(28(22)16-18-9-5-2-6-10-18)24(31)27-20(15-17-7-3-1-4-8-17)23(30)25(32)26-19-11-12-19/h1-10,19-21H,11-16H2,(H,26,32)(H,27,31)/t20?,21-/m1/s1",MMLDHJRGTZHNHV-BPGUCPLFSA-N,433.2001564
"2-Iodoimidazo[1,2-a]pyridine",C7H5IN2,C1=CC2=NC(=CN2C=C1)I,InChI=1S/C7H5IN2/c8-6-5-10-4-2-1-3-7(10)9-6/h1-5H,SDSBDQCXPSOHTP-UHFFFAOYSA-N,243.94975
Lanabecestat,C26H28N4O,CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@]35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2,"InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1",WKDNQONLGXOZRG-BOPKNSRXSA-N,412.2263115
Atabecestat,C18H14FN5OS,C[C@]1(C=CSC(=N1)N)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F,"InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1",VLLFGVHGKLDDLW-SFHVURJKSA-N,367.0903094
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propoxybenzamide,C17H15ClF3NO2,CCCOC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F,"InChI=1S/C17H15ClF3NO2/c1-2-9-24-15-6-4-3-5-12(15)16(23)22-11-7-8-14(18)13(10-11)17(19,20)21/h3-8,10H,2,9H2,1H3,(H,22,23)",AQJBXYBDNZHZRE-UHFFFAOYSA-N,357.0743409
"1-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-6-heptene-3,5-dione",C21H22O7,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)CC(C2=CC(=C(C=C2)O)OC)O)O,"InChI=1S/C21H22O7/c1-27-20-9-13(4-7-17(20)24)3-6-15(22)11-16(23)12-19(26)14-5-8-18(25)21(10-14)28-2/h3-10,19,24-26H,11-12H2,1-2H3",NKDVMZOMVJQUDC-UHFFFAOYSA-N,386.136553
Tetrahydrofurobenzofuran,C10H10O2,C1COC2=C3C=COC3=CCC21,"InChI=1S/C10H10O2/c1-2-9-8(4-6-11-9)10-7(1)3-5-12-10/h2,4,6-7H,1,3,5H2",VOCIDCRQVWWXDF-UHFFFAOYSA-N,162.0680796
Boc-diphenylalanine,C20H23NO4,C[C@](C(=O)O)(C(=O)OC(C)(C)C)N(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C20H23NO4/c1-19(2,3)25-18(24)20(4,17(22)23)21(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3,(H,22,23)/t20-/m0/s1",HVWUPVHIFLOKHP-FQEVSTJZSA-N,341.1627082
Unii-3I1803DK5Z,C22H15ClN2O2,C1=CC=C(C=C1)C#CC2=CC(=CN=C2)[C@@H]3[C@H](OC(=O)N3)C4=CC=CC=C4Cl,"InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1",IAYVUQJOKDFLAL-NHCUHLMSSA-N,374.0822054
Dihydropyranopyrazole,C6H6N2O,C1=COC2=CNNC2=C1,"InChI=1S/C6H6N2O/c1-2-5-6(9-3-1)4-7-8-5/h1-4,7-8H",LGSWWSDRTMRRNH-UHFFFAOYSA-N,122.0480128
"1H-Pyrazolo[1,2-b]phthalazine-5,10-dione",C11H8N2O2,C1C=CN2N1C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C11H8N2O2/c14-10-8-4-1-2-5-9(8)11(15)13-7-3-6-12(10)13/h1-6H,7H2",YHLMSNRQMYBLLW-UHFFFAOYSA-N,200.0585775
1-Fluoro-3-(2-(4-(methylamino)phenyl)quinolin-6-yloxy)propan-2-ol,C19H19FN2O2,CNC1=CC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OCC(CF)O,"InChI=1S/C19H19FN2O2/c1-21-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)22-18)24-12-16(23)11-20/h2-10,16,21,23H,11-12H2,1H3",QXGZMQJLUUBGMN-UHFFFAOYSA-N,326.143056
"7h-Thiazolo[3,2-b][1,2,4]triazin-7-one",C5H3N3OS,C1=CSC2=NC(=O)C=NN21,InChI=1S/C5H3N3OS/c9-4-3-6-8-1-2-10-5(8)7-4/h1-3H,HQLNTGDIBZGLRB-UHFFFAOYSA-N,152.9996829
Methyl-(4-methoxyphenyl)-propanedioic acid,C11H12O5,CC(C1=CC=C(C=C1)OC)(C(=O)O)C(=O)O,"InChI=1S/C11H12O5/c1-11(9(12)13,10(14)15)7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H,12,13)(H,14,15)",BHWGBUVHQSDQQB-UHFFFAOYSA-N,224.0684735
Furofuranone,C6H4O3,C1C2=C(C=CO2)OC1=O,"InChI=1S/C6H4O3/c7-6-3-5-4(9-6)1-2-8-5/h1-2H,3H2",BBMXYUMUEYABBY-UHFFFAOYSA-N,124.016044
Trans-Decalinvesamicol,C21H31NO,C1CC[C@H]2CC(C(C[C@@H]2C1)N3CCC(CC3)C4=CC=CC=C4)O,"InChI=1S/C21H31NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-3,6-7,17-21,23H,4-5,8-15H2/t18-,19-,20?,21?/m0/s1",KBAUXYUOKBLCFC-IKJYFWGWSA-N,313.2405646
alpha-Neup5Ac-(2->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)]-D-GalpNAc,C36H59N3O27,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O,"InChI=1S/C36H59N3O27/c1-10(43)37-19-13(46)4-35(33(56)57,64-28(19)22(50)15(48)6-40)60-9-18-25(53)27(21(31(55)61-18)39-12(3)45)63-32-26(54)30(24(52)17(8-42)62-32)66-36(34(58)59)5-14(47)20(38-11(2)44)29(65-36)23(51)16(49)7-41/h13-32,40-42,46-55H,4-9H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)(H,56,57)(H,58,59)/t13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,29+,30-,31?,32-,35+,36-/m0/s1",QDVVSMLRZUPDCM-NQXGSQGUSA-N,965.3335936
flortaucipir (18F),C16H10FN3,C1=CC2=C(C=C1C3=CN=C(C=C3)[18F])NC4=C2C=NC=C4,"InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H/i17-1",GETAAWDSFUCLBS-SJPDSGJFSA-N,262.08841
"7-(6-Fluoropyridin-3-yl)-5h-pyrido[4,3-b]indole",C16H10FN3,C1=CC2=C(C=C1C3=CN=C(C=C3)F)NC4=C2C=NC=C4,"InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H",GETAAWDSFUCLBS-UHFFFAOYSA-N,263.0858755
L-Gamma-Glutamyl-S-[2-(4-Nitrophenyl)-2-Oxoethyl]-L-Cysteinylglycine,C18H22N4O9S,C1=CC(=CC=C1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],"InChI=1S/C18H22N4O9S/c19-12(18(28)29)5-6-15(24)21-13(17(27)20-7-16(25)26)8-32-9-14(23)10-1-3-11(4-2-10)22(30)31/h1-4,12-13H,5-9,19H2,(H,20,27)(H,21,24)(H,25,26)(H,28,29)/t12-,13-/m0/s1",DFOFAMKKGYFIOO-STQMWFEESA-N,470.1107495
BzATP,C24H24N5O15P3,C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O,"InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1",AWJJLYZBWRIBCZ-UGTJMOTHSA-N,715.0481761
"(1R,9S,13Z)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one",C15H18N2O,C/C=C\1/[C@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3-/t10-,15-/m1/s1",ZRJBHWIHUMBLCN-HNWKQCISSA-N,242.1419132
D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala,C38H57N7O7,C[C@H](C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)N,"InChI=1S/C38H57N7O7/c1-23(2)20-29(42-33(46)28(40)18-12-13-19-39)36(49)45-32(24(3)4)37(50)44-31(22-27-16-10-7-11-17-27)35(48)43-30(21-26-14-8-6-9-15-26)34(47)41-25(5)38(51)52/h6-11,14-17,23-25,28-32H,12-13,18-22,39-40H2,1-5H3,(H,41,47)(H,42,46)(H,43,48)(H,44,50)(H,45,49)(H,51,52)/t25-,28-,29-,30-,31-,32-/m1/s1",MHTAOFNATLIOTI-XMPJBLIUSA-N,723.4319472
"N,N'-[(2,2-Dimethylpropane-1,3-diyl)bis(azanediylbut-3-yl-2-ylidene)]dihydroxylamine",C13H28N4O2,CC(C(=NO)C)NCC(C)(C)CNC(C)C(=NO)C,"InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3",BPNZYADGDZPRTK-UHFFFAOYSA-N,272.2212262
Ala-Val-Ile,C14H27N3O4,CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N,"InChI=1S/C14H27N3O4/c1-6-8(4)11(14(20)21)17-13(19)10(7(2)3)16-12(18)9(5)15/h7-11H,6,15H2,1-5H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1",LYILPUNCKACNGF-NAKRPEOUSA-N,301.2001564
H-Trp-Pro-Tyr-OH,C25H28N4O5,C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O,"InChI=1S/C25H28N4O5/c26-19(13-16-14-27-20-5-2-1-4-18(16)20)24(32)29-11-3-6-22(29)23(31)28-21(25(33)34)12-15-7-9-17(30)10-8-15/h1-2,4-5,7-10,14,19,21-22,27,30H,3,6,11-13,26H2,(H,28,31)(H,33,34)/t19-,21-,22-/m0/s1",LORJKYIPJIRIRT-BVSLBCMMSA-N,464.20597
"tert-Butyl 4-(4-(2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido)benzyl)piperazine-1-carboxylate",C27H33N5O4,CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C,"InChI=1S/C27H33N5O4/c1-27(2,3)36-26(35)32-15-13-31(14-16-32)18-19-9-11-20(12-10-19)28-24(33)17-23-21-7-5-6-8-22(21)25(34)30(4)29-23/h5-12H,13-18H2,1-4H3,(H,28,33)",GSXXTLWPQMHHDJ-UHFFFAOYSA-N,491.2532546
Huprine W,C18H19ClN2O,C1[C@H]2CC3=NC4=C(C=CC(=C4)Cl)C(=C3[C@@H]1CC(=C2)CCO)N,"InChI=1S/C18H19ClN2O/c19-13-1-2-14-15(9-13)21-16-8-11-5-10(3-4-22)6-12(7-11)17(16)18(14)20/h1-2,5,9,11-12,22H,3-4,6-8H2,(H2,20,21)/t11-,12+/m0/s1",GAOPELPOAHCRBF-NWDGAFQWSA-N,314.1185909
Phe-Arg-His,C21H30N8O4,C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)O)N,"InChI=1S/C21H30N8O4/c22-15(9-13-5-2-1-3-6-13)18(30)28-16(7-4-8-26-21(23)24)19(31)29-17(20(32)33)10-14-11-25-12-27-14/h1-3,5-6,11-12,15-17H,4,7-10,22H2,(H,25,27)(H,28,30)(H,29,31)(H,32,33)(H4,23,24,26)/t15-,16-,17-/m0/s1",MQWISMJKHOUEMW-ULQDDVLXSA-N,458.2390015
Strophasterol A,C28H44O4,C[C@@H]1[C@H](CC[C@H]1[C@]2(CCC3=C(C2=O)[C@H]([C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)O)C)C[C@H](C)C(C)C,"InChI=1S/C28H44O4/c1-15(2)16(3)13-18-7-8-20(17(18)4)26(5)11-10-21-22(24(26)31)23(30)25-28(32-25)14-19(29)9-12-27(21,28)6/h15-20,23,25,29-30H,7-14H2,1-6H3/t16-,17+,18+,19-,20+,23+,25-,26+,27+,28-/m0/s1",ULYVEOOCGBYFBH-KWLTWCCKSA-N,444.3239599
Bisnorcymserine,C21H25N3O2,CC(C)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)N[C@@H]4[C@]3(CCN4)C,"InChI=1S/C21H25N3O2/c1-13(2)14-4-6-15(7-5-14)23-20(25)26-16-8-9-18-17(12-16)21(3)10-11-22-19(21)24-18/h4-9,12-13,19,22,24H,10-11H2,1-3H3,(H,23,25)/t19-,21+/m1/s1",ZIGIADNCAWZUAB-CTNGQTDRSA-N,351.1946771
Chlidanthine,C17H21NO3,CN1CCC23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)O)OC,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(20-2)9-14(17)21-16-13(19)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17?/m0/s1",LPCKPBWOSNVCEL-SAMGGIJGSA-N,287.1521435
Geissoschizone,C20H26N2O,CC[C@@H]1CN2CC[C@@]34C2CC1[C@H]5C3N(COC5)C6=CC=CC=C46,"InChI=1S/C20H26N2O/c1-2-13-10-21-8-7-20-16-5-3-4-6-17(16)22-12-23-11-15(19(20)22)14(13)9-18(20)21/h3-6,13-15,18-19H,2,7-12H2,1H3/t13-,14?,15+,18?,19?,20-/m1/s1",UWLOMFVIMPLRPC-JJGQVZEASA-N,310.2045135
"Ethyl 8'-methyl-2',4-dioxo-2-(piperidin-1-yl)-2'H-spiro[cyclopent[2]ene-1,3'-imidazo[1,2-a]pyridine]-3-carboxylate",C20H23N3O4,CCOC(=O)C1=C(C2(CC1=O)C(=O)N=C3N2C=CC=C3C)N4CCCCC4,"InChI=1S/C20H23N3O4/c1-3-27-18(25)15-14(24)12-20(16(15)22-9-5-4-6-10-22)19(26)21-17-13(2)8-7-11-23(17)20/h7-8,11H,3-6,9-10,12H2,1-2H3",WZHBYTVHUFURPY-UHFFFAOYSA-N,369.1688562
5-Nitro-gamma-tocopherol,C28H47NO4,CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)[N+](=O)[O-])C,"InChI=1S/C28H47NO4/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-28(7)18-16-24-25(29(31)32)26(30)22(5)23(6)27(24)33-28/h19-21,30H,8-18H2,1-7H3",CVEXLLWUKIIJNZ-UHFFFAOYSA-N,461.350509
Epiguaidiol A,C15H26O2,CC(=C)[C@H]1CC[C@@]([C@H]2CC[C@]([C@H]2C1)(C)O)(C)O,"InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15-/m0/s1",RQHOQQOEZPFYTD-LXFSFDBISA-N,238.1932801
Amyloid |A-Peptide (1-42),C203H311N55O60S,CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@H](CC4C=NC=N4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6C=NC=N6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N,"InChI=1S/C203H311N55O60S/c1-28-106(20)164(195(310)220-91-149(267)228-130(71-98(4)5)181(296)238-129(66-70-319-27)179(294)251-158(100(8)9)193(308)218-87-146(264)215-88-151(269)250-160(102(12)13)198(313)255-163(105(18)19)199(314)258-165(107(21)29-2)200(315)227-112(26)202(317)318)257-201(316)166(108(22)30-3)256-169(284)109(23)224-147(265)89-216-171(286)122(51-40-42-67-204)233-188(303)139(81-145(208)263)244-192(307)143(94-260)230-150(268)92-219-194(309)159(101(10)11)252-191(306)141(83-157(280)281)245-177(292)127(60-64-153(272)273)232-168(283)111(25)226-180(295)133(73-113-45-34-31-35-46-113)241-184(299)135(75-115-49-38-33-39-50-115)247-196(311)162(104(16)17)254-190(305)131(72-99(6)7)239-173(288)123(52-41-43-68-205)234-175(290)125(58-62-144(207)262)236-185(300)136(77-117-84-211-95-221-117)243-187(302)138(79-119-86-213-97-223-119)248-197(312)161(103(14)15)253-178(293)128(61-65-154(274)275)237-182(297)132(76-116-54-56-120(261)57-55-116)229-148(266)90-217-172(287)142(93-259)249-189(304)140(82-156(278)279)246-186(301)137(78-118-85-212-96-222-118)242-174(289)124(53-44-69-214-203(209)210)235-183(298)134(74-114-47-36-32-37-48-114)240-176(291)126(59-63-152(270)271)231-167(282)110(24)225-170(285)121(206)80-155(276)277/h31-39,45-50,54-57,84-86,95-112,117-119,121-143,158-166,259-261H,28-30,40-44,51-53,58-83,87-94,204-206H2,1-27H3,(H2,207,262)(H2,208,263)(H,215,264)(H,216,286)(H,217,287)(H,218,308)(H,219,309)(H,220,310)(H,224,265)(H,225,285)(H,226,295)(H,227,315)(H,228,267)(H,229,266)(H,230,268)(H,231,282)(H,232,283)(H,233,303)(H,234,290)(H,235,298)(H,236,300)(H,237,297)(H,238,296)(H,239,288)(H,240,291)(H,241,299)(H,242,289)(H,243,302)(H,244,307)(H,245,292)(H,246,301)(H,247,311)(H,248,312)(H,249,304)(H,250,269)(H,251,294)(H,252,306)(H,253,293)(H,254,305)(H,255,313)(H,256,284)(H,257,316)(H,258,314)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,317,318)(H4,209,210,214)/t106-,107-,108-,109-,110-,111-,112-,117?,118?,119?,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,158-,159-,160-,161-,162-,163-,164-,165-,166-/m0/s1",XPESWQNHKICWDY-QYFPAAMGSA-N,4513.276313
"(E)-3-(2-Ethyl-7-fluoro-4-oxo-3-phenethyl-3,4-dihydroquinazoline-6-yl)-N-hydroxyacrylamide",C21H20FN3O3,CCC1=NC2=C(C=C(C(=C2)F)/C=C/C(=O)NO)C(=O)N1CCC3=CC=CC=C3,"InChI=1S/C21H20FN3O3/c1-2-19-23-18-13-17(22)15(8-9-20(26)24-28)12-16(18)21(27)25(19)11-10-14-6-4-3-5-7-14/h3-9,12-13,28H,2,10-11H2,1H3,(H,24,26)/b9-8+",NAMOJMZBPJZNOD-CMDGGOBGSA-N,381.1488697
IAbeta5p,C35H46N6O8,CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C,"InChI=1S/C35H46N6O8/c1-21(2)17-28(37-22(3)42)35(49)41-16-10-15-29(41)34(48)40-27(19-24-13-8-5-9-14-24)33(47)39-26(18-23-11-6-4-7-12-23)32(46)38-25(31(36)45)20-30(43)44/h4-9,11-14,21,25-29H,10,15-20H2,1-3H3,(H2,36,45)(H,37,42)(H,38,46)(H,39,47)(H,40,48)(H,43,44)",DFIDZYQHBGZLHZ-UHFFFAOYSA-N,678.3377125
3-(3-Hydrazinylpropyl)-1h-indole,C11H15N3,C1=CC=C2C(=C1)C(=CN2)CCCNN,"InChI=1S/C11H15N3/c12-14-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13-14H,3-4,7,12H2",GAXXKHZTOVVVMM-UHFFFAOYSA-N,189.1265975
"L-Cysteine, L-cysteinyl-L-histidyl-L-alpha-glutamyl-L-alanyl-L-seryl-L-glutaminyl-",C28H44N10O12S2,C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CS)N,"InChI=1S/C28H44N10O12S2/c1-12(22(43)37-18(8-39)27(48)35-15(2-4-20(30)40)25(46)38-19(10-52)28(49)50)33-24(45)16(3-5-21(41)42)34-26(47)17(6-13-7-31-11-32-13)36-23(44)14(29)9-51/h7,11-12,14-19,39,51-52H,2-6,8-10,29H2,1H3,(H2,30,40)(H,31,32)(H,33,45)(H,34,47)(H,35,48)(H,36,44)(H,37,43)(H,38,46)(H,41,42)(H,49,50)/t12-,14-,15-,16-,17-,18-,19-/m0/s1",PBMDUICGBHXMTM-ABEVXSGRSA-N,776.2581592
"[3,4,5-Trihydroxy-6-[4-hydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate",C34H42O19,COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)CO)O)O)O,"InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3",FHIJMQWMMZEFBL-UHFFFAOYSA-N,754.2320291
"[4-Hydroxy-2,5-bis(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate",C22H30O14,COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O,"InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3",ZPEADZHVGOCGKH-UHFFFAOYSA-N,518.1635556
2-(2-(2-Dimethylaminothiazol-5-yl)ethenyl)-6-(2-(fluoro)ethoxy)benzoxazole,C16H16FN3O2S,CN(C)C1=NC=C(S1)C=CC2=NC3=C(O2)C=C(C=C3)OCCF,"InChI=1S/C16H16FN3O2S/c1-20(2)16-18-10-12(23-16)4-6-15-19-13-5-3-11(21-8-7-17)9-14(13)22-15/h3-6,9-10H,7-8H2,1-2H3",GSZMUPHKOPBPPS-UHFFFAOYSA-N,333.0947261
"Spiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)-oxathiolane), 2'-methyl-, (2'R,3R)-rel-",C10H17NOS,C[C@H]1O[C@@]2(CN3CCC2CC3)CS1,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m0/s1",WUTYZMFRCNBCHQ-WPRPVWTQSA-N,199.1030853
CID 73441910,C25H23ClF4N4O3,CC1=CN(C=N1)C2=CC=C3C(=O)N(CCN3C2=O)[C@@H](C)[C@@H]4CC[C@@H](O4)C5=CC(=C(C=C5C(F)(F)F)Cl)F,"InChI=1S/C25H23ClF4N4O3/c1-13-11-32(12-31-13)19-3-4-20-24(36)33(7-8-34(20)23(19)35)14(2)21-5-6-22(37-21)15-9-18(27)17(26)10-16(15)25(28,29)30/h3-4,9-12,14,21-22H,5-8H2,1-2H3/t14-,21-,22+/m0/s1",AKCDDYGYIGPEKL-JQOQJDEVSA-N,538.139481
[11C] SB207145 (PET ligand),C16H21ClN2O4,[11CH3]N1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl,"InChI=1S/C16H21ClN2O4/c1-19-4-2-10(3-5-19)9-23-16(20)11-8-12(17)13(18)15-14(11)21-6-7-22-15/h8,10H,2-7,9,18H2,1H3/i1-1",FWDOTRBSNDBFMN-BJUDXGSMSA-N,339.1304174
[11C]butylthio-TZTP,C12H19N3S2,CN1CCC=C(C1)C2=NSN=C2SCCC[11CH3],"InChI=1S/C12H19N3S2/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3/i1-1",SFXHHGRYNXLPKT-BJUDXGSMSA-N,268.1134726
[11C]xanomeline,C14H23N3OS,CCCCCCOC1=NSN=C1C2=CCCN(C2)[11CH3],"InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3/i2-1",JOLJIIDDOBNFHW-JVVVGQRLSA-N,280.1676161
4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline,C20H25FN2O3,CNC1=CC=C(C=C1)C=CC2=CN=C(C=C2)OCCOCCOCCF,"InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3",YNDIAUKFXKEXSV-UHFFFAOYSA-N,360.1849208
5-(4-Hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxopentanamide,C22H24N2O4,COC1=CC2=C(C=C1)NC=C2CCNC(=O)CC(=O)CCC3=CC=C(C=C3)O,"InChI=1S/C22H24N2O4/c1-28-19-8-9-21-20(13-19)16(14-24-21)10-11-23-22(27)12-18(26)7-4-15-2-5-17(25)6-3-15/h2-3,5-6,8-9,13-14,24-25H,4,7,10-12H2,1H3,(H,23,27)",BPMOENJVOOOATO-UHFFFAOYSA-N,380.1736073
N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]prop-2-yn-1-amine,C28H35N3O,CN1C2=C(C=C(C=C2)OCCCC3CCN(CC3)CC4=CC=CC=C4)C=C1CNCC#C,"InChI=1S/C28H35N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h1,4-6,8-9,11-12,19-20,23,29H,7,10,13-18,21-22H2,2H3",CTGSLKYRZVBABZ-UHFFFAOYSA-N,429.2780127
11-O-Protocatechuoylbergenin,C21H20O12,COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C=C4)O)O)O)O)OC2=O)O,"InChI=1S/C21H20O12/c1-30-17-11(24)5-8-13(15(17)26)18-19(33-21(8)29)16(27)14(25)12(32-18)6-31-20(28)7-2-3-9(22)10(23)4-7/h2-5,12,14,16,18-19,22-27H,6H2,1H3/t12-,14-,16+,18+,19-/m1/s1",MFNRPVDJVZFOAE-IONYDWJHSA-N,464.0954761
"PF-06663195, >=98% (Hplc)",C18H18F3N3O2S,CC1=NOC(=C1)[C@H]2C[C@H]3[C@H](SC(=N[C@]3(CO2)C4=C(C=C(C=C4)F)F)N)CF,"InChI=1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1",JIAYOIBUKDISBO-IYPIGGPWSA-N,397.1071825
CID 77492675,C24H24F4N4O3,CC1=CN(C=N1)C2=CC=C3C(=O)N(CCN3C2=O)C(C)COC4=C(C=C(C=C4)F)C(C)C(F)(F)F,"InChI=1S/C24H24F4N4O3/c1-14-11-30(13-29-14)19-5-6-20-23(34)31(8-9-32(20)22(19)33)15(2)12-35-21-7-4-17(25)10-18(21)16(3)24(26,27)28/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3",XZFBQMFLEPCQCW-UHFFFAOYSA-N,492.1784533
Unii-1L8quk35RX,C22H20F2N8O2S,COC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)[C@]34CN(C[C@H]3CSC(=N4)N)C5=NC=C(C=N5)F,"InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1",VQSRKMNBWMHJKY-YTEVENLXSA-N,498.1397994
"Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, (1alpha,14alpha,16beta)-",C23H37NO5,CCN1C[C@]2(CC[C@@H](C34C2CC(C31)[C@]5(C[C@@H]([C@H]6CC4C5C6O)OC)O)O)COC,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14?,15+,16?,17+,18?,19?,20?,21-,22+,23?/m1/s1",RBSZCNOWHDHRFZ-ANISAPMCSA-N,407.2671733
N-butylphenylnitrone,C11H15NO,CCCC[N+](=CC1=CC=CC=C1)[O-],"InChI=1S/C11H15NO/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3",KBSMCMWBRXSBEM-UHFFFAOYSA-N,177.1153641
2-Methoxyphenyl dimethylcarbamate,C10H13NO3,CN(C)C(=O)OC1=CC=CC=C1OC,"InChI=1S/C10H13NO3/c1-11(2)10(12)14-9-7-5-4-6-8(9)13-3/h4-7H,1-3H3",WTSBSTGTHGORCH-UHFFFAOYSA-N,195.0895433
"3,4-Dihydroxytetrahydrofuran-3-carboxylic acid",C5H8O5,C1C(C(CO1)(C(=O)O)O)O,"InChI=1S/C5H8O5/c6-3-1-10-2-5(3,9)4(7)8/h3,6,9H,1-2H2,(H,7,8)",BKZLPJWBRQQEGC-UHFFFAOYSA-N,148.0371734
cyclic 3-Hydroxymelatonin,C13H16N2O3,CC(=O)N1CCC2(C1NC3=C2C=C(C=C3)OC)O,"InChI=1S/C13H16N2O3/c1-8(16)15-6-5-13(17)10-7-9(18-2)3-4-11(10)14-12(13)15/h3-4,7,12,14,17H,5-6H2,1-2H3",VADOSKJWFKUPQF-UHFFFAOYSA-N,248.1160924
Aloifol I,C16H18O4,COC1=CC(=CC(=C1O)OC)CCC2=CC(=CC=C2)O,"InChI=1S/C16H18O4/c1-19-14-9-12(10-15(20-2)16(14)18)7-6-11-4-3-5-13(17)8-11/h3-5,8-10,17-18H,6-7H2,1-2H3",HJFGFCYQHBUEMB-UHFFFAOYSA-N,274.1205091
3-(1H-Imidazole-4-yl)-N-[2-(1H-imidazole-4-yl)ethyl]propanamide,C11H15N5O,C1=C(NC=N1)CCC(=O)NCCC2=CN=CN2,"InChI=1S/C11H15N5O/c17-11(2-1-9-5-12-7-15-9)14-4-3-10-6-13-8-16-10/h5-8H,1-4H2,(H,12,15)(H,13,16)(H,14,17)",JXMSGYYKVRNTSG-UHFFFAOYSA-N,233.1276601
CID 86280366,C21H20O11,C1C(OC2=CC(=CC(=C2C1=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O,"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21?/m0/s1",BDCRTIDKZGEVEN-YKCLCNASSA-N,448.1005615
Donecopride,C22H33ClN2O2,COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CC3CCCCC3)Cl)N,"InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3",FTRZTHFGTILUPE-UHFFFAOYSA-N,392.223056
Sulfanilamide,C6H8N2O2S,C1=CC(=CC=C1N)S(=O)(=O)N,"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",FDDDEECHVMSUSB-UHFFFAOYSA-N,172.0306487
Oxazaborine,C3H4BNO,B1=CC=CON1,"InChI=1S/C3H4BNO/c1-2-4-5-6-3-1/h1-3,5H",BNTVCWONOSYDEP-UHFFFAOYSA-N,81.0385939
Hydroxynonenal,C9H16O2,CCCCCC/C=C(/C=O)\O,"InChI=1S/C9H16O2/c1-2-3-4-5-6-7-9(11)8-10/h7-8,11H,2-6H2,1H3/b9-7-",STRVVRPNBAHXRJ-CLFYSBASSA-N,156.1150297
"2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolinedisulfonic acid",C26H22N2O6S2,CC1=CC(=C2C=CC3=C(C2=N1)NC(C(=C3C4=CC=CC=C4)S(=O)(=O)O)(C)S(=O)(=O)O)C5=CC=CC=C5,"InChI=1S/C26H22N2O6S2/c1-16-15-21(17-9-5-3-6-10-17)19-13-14-20-22(18-11-7-4-8-12-18)25(35(29,30)31)26(2,36(32,33)34)28-24(20)23(19)27-16/h3-15,28H,1-2H3,(H,29,30,31)(H,32,33,34)",SDEJZNDOGDHERS-UHFFFAOYSA-N,522.0919288
Cyclopentaquinoline,C12H9N,C1=CC2=C3C(=CC=CN3)C=CC2=C1,"InChI=1S/C12H9N/c1-3-9-6-7-10-4-2-8-13-12(10)11(9)5-1/h1-8,13H",NKHZINRPHKMTLU-UHFFFAOYSA-N,167.0734993
2-Hydroxynon-2-enal,C9H16O2,CCCCCCC=C(C=O)O,"InChI=1S/C9H16O2/c1-2-3-4-5-6-7-9(11)8-10/h7-8,11H,2-6H2,1H3",STRVVRPNBAHXRJ-UHFFFAOYSA-N,156.1150297
Dibenzazepinone,C14H9NO,C1=CC2=CC=NC3=CC=CC(=O)C3=C2C=C1,InChI=1S/C14H9NO/c16-13-7-3-6-12-14(13)11-5-2-1-4-10(11)8-9-15-12/h1-9H,OSTMDYMTUHITDI-UHFFFAOYSA-N,207.0684139
Cys-Arg,C9H19N5O3S,C(C[C@@H](C(=O)O)NC(=O)[C@H](CS)N)CN=C(N)N,"InChI=1S/C9H19N5O3S/c10-5(4-18)7(15)14-6(8(16)17)2-1-3-13-9(11)12/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/t5-,6-/m0/s1",RGTVXXNMOGHRAY-WDSKDSINSA-N,277.1208607
Methanobenzodioxepine,C10H8O2,C1C2C1=CC3=CC=CC=C3OO2,"InChI=1S/C10H8O2/c1-2-4-9-7(3-1)5-8-6-10(8)12-11-9/h1-5,10H,6H2",CWHGYSXLWPMGHV-UHFFFAOYSA-N,160.0524295
Umibecestat,C19H15ClF7N5O2,C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)C2=C(C=CC(=N2)NC(=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)F,"InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1",PSBBWFNMHDUTRH-DLBZAZTESA-N,513.0802496
Pantoyl-gamma-aminobutyric acid,C10H19NO5,CC(C)(CO)[C@H](C(=O)C(CCN)C(=O)O)O,"InChI=1S/C10H19NO5/c1-10(2,5-12)8(14)7(13)6(3-4-11)9(15)16/h6,8,12,14H,3-5,11H2,1-2H3,(H,15,16)/t6?,8-/m0/s1",XZGIPDMLSWFFOG-XDKWHASVSA-N,233.1263227
PDE5-IN-6c,C23H21ClN4O2,CC(=O)N1CCC2=NC3=C(C=C(C=C3)C#N)C(=C2C1)NCC4=CC(=C(C=C4)OC)Cl,"InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)",YLBRHUHHQIYMSH-UHFFFAOYSA-N,420.1353036
"6-Aminobenzo[d]thiazole-2,7-dicarbonitrile",C9H4N4S,C1=CC2=C(C(=C1N)C#N)SC(=N2)C#N,"InChI=1S/C9H4N4S/c10-3-5-6(12)1-2-7-9(5)14-8(4-11)13-7/h1-2H,12H2",IOKGSBLCHJSDRC-UHFFFAOYSA-N,200.0156673
Cranad-2,C23H25BF2N2O2,[B-]1(OC(=C/C(=C/C=C2C=CC(=[N+](C)C)C=C2)/O1)/C=C/C3=CC=C(C=C3)N(C)C)(F)F,"InChI=1S/C23H25BF2N2O2/c1-27(2)20-11-5-18(6-12-20)9-15-22-17-23(30-24(25,26)29-22)16-10-19-7-13-21(14-8-19)28(3)4/h5-17H,1-4H3",PVXQJYXODFZTBR-UHFFFAOYSA-N,410.1977145
Dopgal,C8H8O4,C1=CC(=C(C=C1[C@H](C=O)O)O)O,"InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H/t8-/m0/s1",YUGMCLJIWGEKCK-QMMMGPOBSA-N,168.0422587
"(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C47H80O18,CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C,"InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,42+,44+,45+,46+,47-/m0/s1",LLPWNQMSUYAGQI-IOGAVWHUSA-N,932.5344657
Fratide,C55H102N2O2,CCCCCC=CCC=CCCCCCCCCC1(CCC(CC1)(C)CC2CC(C(CC2C)NCCO)NCCO)CCCCCCCCC=CCC=CCCCCC,"InChI=1S/C55H102N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-55(38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)41-39-54(4,40-42-55)49-51-48-53(57-44-46-59)52(47-50(51)3)56-43-45-58/h13-16,19-22,50-53,56-59H,5-12,17-18,23-49H2,1-4H3",LXTZCWVDCKQYON-UHFFFAOYSA-N,822.7941305
Mitrinermin,C22H28N2O4,CCC1CN2CCC3(C2CC1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+",DAXYUDFNWXHGBE-DTQAZKPQSA-N,384.2049074
Dimyristoyl phosphatidylserine,C34H66NO10P,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C34H66NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29,35H2,1-2H3,(H,38,39)(H,40,41)/t30-,31+/m1/s1",WKJDWDLHIOUPPL-JSOSNVBQSA-N,679.4424343
[(2R)-3-carboxy-2-(6-carboxyhexanoyloxy)propyl]-trimethylazanium,C14H26NO6,C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCCCC(=O)O,"InChI=1S/C14H25NO6/c1-15(2,3)10-11(9-13(18)19)21-14(20)8-6-4-5-7-12(16)17/h11H,4-10H2,1-3H3,(H-,16,17,18,19)/p+1/t11-/m1/s1",NTBUXPPQHCFLOM-LLVKDONJSA-O,304.1760126
[3-Carboxy-2-(6-carboxyhexanoyloxy)propyl]-trimethylazanium,C14H26NO6,C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCCC(=O)O,"InChI=1S/C14H25NO6/c1-15(2,3)10-11(9-13(18)19)21-14(20)8-6-4-5-7-12(16)17/h11H,4-10H2,1-3H3,(H-,16,17,18,19)/p+1",NTBUXPPQHCFLOM-UHFFFAOYSA-O,304.1760126
"5H-Cyclopenta(d)pyrimidine-2,4-diamine, 7-(4-fluorophenyl)-6,7-dihydro-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-, (7S)-",C24H24FN7O,CC1=NN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(CC[C@H]4C5=CC=C(C=C5)F)C(=N3)NC)OC,"InChI=1S/C24H24FN7O/c1-14-27-13-32(31-14)20-11-8-17(12-21(20)33-3)28-24-29-22-18(15-4-6-16(25)7-5-15)9-10-19(22)23(26-2)30-24/h4-8,11-13,18H,9-10H2,1-3H3,(H2,26,28,29,30)/t18-/m0/s1",NDVMOVOEROCRIO-SFHVURJKSA-N,445.2026366
"7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one",C27H32O15,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O,"InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16?,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",OBKKEZLIABHSGY-BEDUMGIKSA-N,596.1741203
Cranad 2,C23H25BF2N2O2,[B-]1(OC(=CC(=CC=C2C=CC(=[N+](C)C)C=C2)O1)/C=C/C3=CC=C(C=C3)N(C)C)(F)F,"InChI=1S/C23H25BF2N2O2/c1-27(2)20-11-5-18(6-12-20)9-15-22-17-23(30-24(25,26)29-22)16-10-19-7-13-21(14-8-19)28(3)4/h5-17H,1-4H3",PVXQJYXODFZTBR-UHFFFAOYSA-N,410.1977145
"2-[4-[[4,6-Bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium",C39H51N6O93,C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)OC3=CC=C(C=C3)C(=O)OCC[N+](C)(C)C)OC4=CC=C(C=C4)C(=O)OCC[N+](C)(C)C,"InChI=1S/C39H51N6O9/c1-43(2,3)22-25-49-34(46)28-10-16-31(17-11-28)52-37-40-38(53-32-18-12-29(13-19-32)35(47)50-26-23-44(4,5)6)42-39(41-37)54-33-20-14-30(15-21-33)36(48)51-27-24-45(7,8)9/h10-21H,22-27H2,1-9H3/q+3",BLMNXXGEDNNOQP-UHFFFAOYSA-N,747.3717522
2-(6-Methylaminopyridine-3-yl)-6-((S)-3-fluoro-2-hydroxy-propyloxy)quinoline,C18H18FN3O2,CNC1=NC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OC[C@@H](CF)O,"InChI=1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1",DLVXFZWSPCOWSN-CQSZACIVSA-N,327.138305
Bacoside A,C41H68O13,CC(=CCC[C@@](C)([C@@H]1[C@H]2CC[C@H]3[C@]([C@@]2(CC1=O)C)(CC[C@@H]4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)CO)C)O)C,"InChI=1S/C41H68O13/c1-21(2)9-8-14-40(7,50)29-22-10-11-27-38(5,39(22,6)17-23(29)44)15-12-26-37(3,4)28(13-16-41(26,27)20-43)53-36-33(49)31(47)34(25(18-42)52-36)54-35-32(48)30(46)24(45)19-51-35/h9,22,24-36,42-43,45-50H,8,10-20H2,1-7H3/t22-,24+,25-,26+,27+,28?,29-,30+,31-,32-,33-,34-,35+,36+,38-,39-,40+,41-/m1/s1",LKCTWIIDXXXXAR-CYGHALRTSA-N,768.4659922
Alanyl-threonine,C7H14N2O4,C[C@@H]([C@@H](C(=O)O)NC(=O)[C@H](C)N)O,"InChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4-,5-/m0/s1",BUQICHWNXBIBOG-YUPRTTJUSA-N,190.0953569
Benzoylalbiflorin,C30H32O12,C[C@]12C[C@H]([C@@H]3C[C@]1([C@@]3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC=CC=C6)O)O)O)O,"InChI=1S/C30H32O12/c1-28-13-19(31)18-12-30(28,29(18,27(37)42-28)15-39-25(36)17-10-6-3-7-11-17)41-26-23(34)22(33)21(32)20(40-26)14-38-24(35)16-8-4-2-5-9-16/h2-11,18-23,26,31-34H,12-15H2,1H3/t18-,19+,20+,21+,22-,23+,26-,28-,29-,30-/m0/s1",ZHQGREQIJCCKHT-ACZWZNQISA-N,584.1893765
"(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-3-methyl-2-[[(2R)-4-methyl-2-[[(4R)-4-[(3R,5S,7R,8S,9S,10S,11R,13R,14S,17R)-3,7,11-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid",C56H83N5O10,C[C@H](CCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H](C)C(=O)O)[C@H]3CC[C@@H]4[C@@]3(C[C@H]([C@H]5[C@H]4[C@@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)O)C,"InChI=1S/C56H83N5O10/c1-31(2)25-41(58-46(65)22-19-33(5)39-20-21-40-47-44(63)29-37-28-38(62)23-24-55(37,7)48(47)45(64)30-56(39,40)8)52(68)61-49(32(3)4)53(69)60-43(27-36-17-13-10-14-18-36)51(67)59-42(26-35-15-11-9-12-16-35)50(66)57-34(6)54(70)71/h9-18,31-34,37-45,47-49,62-64H,19-30H2,1-8H3,(H,57,66)(H,58,65)(H,59,67)(H,60,69)(H,61,68)(H,70,71)/t33-,34-,37+,38-,39-,40+,41-,42-,43-,44-,45-,47-,48+,49-,55+,56-/m1/s1",WGDOPLRVVSIGKC-GOAJJQTKSA-N,985.6139939
"(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[[(4R)-4-[(3R,5S,7R,8S,9S,10S,11R,13R,14S,17R)-3,7,11-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentanamide",C56H84N6O9,C[C@H](CCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H](C)C(=O)N)[C@H]3CC[C@@H]4[C@@]3(C[C@H]([C@H]5[C@H]4[C@@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)O)C,"InChI=1S/C56H84N6O9/c1-31(2)25-41(59-46(66)22-19-33(5)39-20-21-40-47-44(64)29-37-28-38(63)23-24-55(37,7)48(47)45(65)30-56(39,40)8)53(70)62-49(32(3)4)54(71)61-43(27-36-17-13-10-14-18-36)52(69)60-42(26-35-15-11-9-12-16-35)51(68)58-34(6)50(57)67/h9-18,31-34,37-45,47-49,63-65H,19-30H2,1-8H3,(H2,57,67)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)/t33-,34-,37+,38-,39-,40+,41-,42-,43-,44-,45-,47-,48+,49-,55+,56-/m1/s1",MBZJMICUPWGAOX-GOAJJQTKSA-N,984.6299783
Unii-ycg9vdc7QG,C13H16N2O3,CC(=O)N1CC[C@@]2([C@H]1NC3=C2C=C(C=C3)OC)O,"InChI=1S/C13H16N2O3/c1-8(16)15-6-5-13(17)10-7-9(18-2)3-4-11(10)14-12(13)15/h3-4,7,12,14,17H,5-6H2,1-2H3/t12-,13+/m0/s1",VADOSKJWFKUPQF-QWHCGFSZSA-N,248.1160924
Isohimbacine,C22H35NO2,C[C@H]1CCC[C@@H](N1C)C/C=C/2\[C@H]3CCCC[C@@H]3C[C@H]4[C@@H]2[C@@H](OC4=O)C,"InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h12,14-18,20-21H,4-11,13H2,1-3H3/b19-12+/t14-,15-,16+,17+,18-,20-,21+/m0/s1",SVFAJETUQHWCFK-UTBKROCHSA-N,345.2667794
"(4S,7S)-5-oxo-4-phenylmethoxycarbonyl-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid",C18H21NO5S,C1C[C@H](N2C(C1)SCC[C@@H](C2=O)C(=O)OCC3=CC=CC=C3)C(=O)O,"InChI=1S/C18H21NO5S/c20-16-13(18(23)24-11-12-5-2-1-3-6-12)9-10-25-15-8-4-7-14(17(21)22)19(15)16/h1-3,5-6,13-15H,4,7-11H2,(H,21,22)/t13-,14-,15?/m0/s1",JRPRHWJVXHWMIY-ZYOSVBKOSA-N,363.1140439
"beta,beta-Diphenylphenylalanine",C21H19NO2,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[C@@H](C(=O)O)N,"InChI=1S/C21H19NO2/c22-19(20(23)24)21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,22H2,(H,23,24)/t19-/m1/s1",RNFRMTOEKIANFS-LJQANCHMSA-N,317.1415788
Sargaquinoic acid,C27H36O4,CC1=CC(=O)C=C(C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\CCC=C(C)C)/C(=O)O,"InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14+",IKUIJYZNRMQNBM-PIIINLNPSA-N,424.2613596
N-acetyl-Lys-Leu-Val-Phe-Phe-Ala-Glu-NH(2),C45H67N9O10,C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C,"InChI=1S/C45H67N9O10/c1-26(2)23-34(51-41(60)33(49-29(6)55)19-13-14-22-46)44(63)54-38(27(3)4)45(64)53-36(25-31-17-11-8-12-18-31)43(62)52-35(24-30-15-9-7-10-16-30)42(61)48-28(5)40(59)50-32(39(47)58)20-21-37(56)57/h7-12,15-18,26-28,32-36,38H,13-14,19-25,46H2,1-6H3,(H2,47,58)(H,48,61)(H,49,55)(H,50,59)(H,51,60)(H,52,62)(H,53,64)(H,54,63)(H,56,57)/t28-,32-,33-,34-,35-,36-,38-/m0/s1",IOZJCNIKDROZNV-LWFLANIVSA-N,893.5010894
Nvp-ahw700-NX,C42H46ClN5O6,C[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)NC3C(=O)NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5,"InChI=1S/C42H46ClN5O6/c1-26(44-37-40(52)45-33-21-20-31(43)25-32(33)36(47-37)29-18-12-7-13-19-29)38(50)48-39(51)30(22-27-14-8-5-9-15-27)24-35(49)34(23-28-16-10-6-11-17-28)46-41(53)54-42(2,3)4/h5-21,25-26,30,34-35,37,44,49H,22-24H2,1-4H3,(H,45,52)(H,46,53)(H,48,50,51)/t26-,30+,34-,35+,37?/m0/s1",RIXMJUMTBSBKML-LRUPJTPGSA-N,751.3136619
3''-O-Galloylmyricitrin,C28H24O16,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O,"InChI=1S/C28H24O16/c1-8-19(35)25(43-27(40)10-4-15(33)21(37)16(34)5-10)23(39)28(41-8)44-26-22(38)18-12(30)6-11(29)7-17(18)42-24(26)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,25,28-37,39H,1H3/t8-,19-,23+,25+,28-/m0/s1",AHOPFKRXJRLLGF-KXYIXKPASA-N,616.1064347
Angelicoidenol,C10H18O2,CC1(C2C[C@@H](C1(C[C@H]2O)C)O)C,"InChI=1S/C10H18O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3/t6?,7-,8+,10?/m1/s1",HLVIHBJQDKVEAL-CINMIUTLSA-N,170.1306798
"[(1S,2R,3R,4R,5R,6S,7S,8S,9S,10R,13R,14R,16S,17S)-11-ethyl-5,7-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-8,14-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate",C67H103NO11,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1C[C@@H]([C@@]23[C@H]4[C@@]1(CN([C@@H]2[C@H](C4)[C@@]5([C@@H]6[C@H]3C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC)COC)OC,"InChI=1S/C67H103NO11/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-39-43-56(69)77-54-46-55(75-5)66-52-47-65(73)61(78-63(72)50-41-37-36-38-42-50)58(52)67(60(71)62(65)76-6,51-45-53(66)64(54,49-74-4)48-68(9-3)59(51)66)79-57(70)44-40-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h16-19,22-25,36-38,41-42,51-55,58-62,71,73H,7-15,20-21,26-35,39-40,43-49H2,1-6H3/b18-16-,19-17-,24-22-,25-23-/t51-,52+,53+,54+,55-,58+,59+,60-,61+,62-,64+,65+,66+,67-/m0/s1",BEYLZXDKKABXIH-ZDGJFYOESA-N,1097.753113
Amberboin,C15H20O4,C[C@@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)[C@H]3C)O,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8-,9-,11-,12-,13+,14+/m0/s1",ZAPNUFCAIXITRW-CDUHWDNDSA-N,264.1361591
Bryostatin 20,C41H60O15,C[C@H]([C@H]1C[C@@H]2[C@@H]3C(=CC(=O)O3)C[C@@](O2)(C(/C=C/[C@H]4C/C(=C/C(=O)OC)/C[C@H](O4)C[C@]5(C([C@H](C[C@H](O5)C[C@H](CC(=O)O1)O)OC(=O)C(C)(C)C)(C)C)O)(C)C)O)O,"InChI=1S/C41H60O15/c1-22(42)29-19-30-35-24(15-33(45)54-35)20-40(48,56-30)38(5,6)11-10-26-12-23(14-32(44)50-9)13-28(51-26)21-41(49)39(7,8)31(53-36(47)37(2,3)4)18-27(55-41)16-25(43)17-34(46)52-29/h10-11,14-15,22,25-31,35,42-43,48-49H,12-13,16-21H2,1-9H3/b11-10+,23-14-/t22-,25-,26+,27-,28+,29-,30-,31+,35+,40-,41+/m1/s1",CYISYNAHSIYBII-OXIASYKBSA-N,792.3932212
Hederacolchiside E,C65H106O30,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O,"InChI=1S/C65H106O30/c1-25-36(68)41(73)46(78)54(86-25)93-51-30(22-67)89-53(50(82)45(51)77)84-23-31-39(71)44(76)49(81)57(90-31)95-59(83)65-18-16-60(3,4)20-28(65)27-10-11-34-62(7)14-13-35(61(5,6)33(62)12-15-64(34,9)63(27,8)17-19-65)92-58-52(94-55-47(79)42(74)37(69)26(2)87-55)40(72)32(24-85-58)91-56-48(80)43(75)38(70)29(21-66)88-56/h10,25-26,28-58,66-82H,11-24H2,1-9H3/t25-,26-,28-,29+,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58-,62-,63+,64+,65-/m0/s1",DXLORNSIGDEVQK-ORHSKWSZSA-N,1366.676892
"5-[[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(oxaloamino)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]amino]benzene-1,3-dicarboxylic acid",C34H44N6O12,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CNC(=O)C(=O)O)N,"InChI=1S/C34H44N6O12/c1-16(2)10-24(39-29(44)25(17(3)4)40-27(42)22(35)15-36-31(46)34(51)52)28(43)38-23(11-18-8-6-5-7-9-18)26(41)30(45)37-21-13-19(32(47)48)12-20(14-21)33(49)50/h5-9,12-14,16-17,22-26,41H,10-11,15,35H2,1-4H3,(H,36,46)(H,37,45)(H,38,43)(H,39,44)(H,40,42)(H,47,48)(H,49,50)(H,51,52)/t22-,23+,24+,25+,26-/m1/s1",WZJHGCSWOYSTGN-ABYVZCGDSA-N,728.3017209
Sesaminol triglucoside,C38H48O22,C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)OCO4)[C@H](O1)C8=CC9=C(C=C8)OCO9,"InChI=1S/C38H48O22/c39-6-22-25(41)28(44)31(47)36(57-22)51-10-24-27(43)30(46)35(60-37-32(48)29(45)26(42)23(7-40)58-37)38(59-24)56-18-5-21-20(54-12-55-21)4-14(18)34-16-9-49-33(15(16)8-50-34)13-1-2-17-19(3-13)53-11-52-17/h1-5,15-16,22-48H,6-12H2/t15-,16-,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38+/m0/s1",IJZGFTCXUSMUHI-CMBLSTHZSA-N,856.2637232
"[(E)-2-[(2S,3aS,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethenyl] 3-methylbut-2-enoate",C26H38O5,CC(=CCCC1(CC=C2CO[C@@H]3[C@@]2([C@@H]1/C=C/OC(=O)C=C(C)C)O[C@](C3)(C)OC)C)C,"InChI=1S/C26H38O5/c1-18(2)9-8-12-24(5)13-10-20-17-30-22-16-25(6,28-7)31-26(20,22)21(24)11-14-29-23(27)15-19(3)4/h9-11,14-15,21-22H,8,12-13,16-17H2,1-7H3/b14-11+/t21-,22+,24?,25+,26-/m1/s1",YNJGXQUTVLYUEZ-MAGJFYFHSA-N,430.2719243
Val-Ile-Ala,C14H27N3O4,CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C(C)C)N,"InChI=1S/C14H27N3O4/c1-6-8(4)11(13(19)16-9(5)14(20)21)17-12(18)10(15)7(2)3/h7-11H,6,15H2,1-5H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,10-,11-/m0/s1",CPGJELLYDQEDRK-NAKRPEOUSA-N,301.2001564
"8-Ethyl-5,8,9,10,11,12-hexahydro-8,12-diazacyclonona[a]indene-6,7-dicarboxylic acid dimethyl ester",C20H24N2O4,CCN/1CCCC2=C(C/C(=C1/C(=O)OC)/C(=O)OC)C3=CC=CC=C3N2,"InChI=1S/C20H24N2O4/c1-4-22-11-7-10-17-14(13-8-5-6-9-16(13)21-17)12-15(19(23)25-2)18(22)20(24)26-3/h5-6,8-9,21H,4,7,10-12H2,1-3H3/b18-15+",LSFHQMYXKQVJGW-OBGWFSINSA-N,356.1736073
"3-Fluoro-8-ethyl-5,8,9,10,11,12-hexahydro-8,12-diazacyclonona[a]indene-6,7-dicarboxylic acid dimethyl ester",C20H23FN2O4,CCN/1CCCC2=C(C/C(=C1/C(=O)OC)/C(=O)OC)C3=C(N2)C=CC(=C3)F,"InChI=1S/C20H23FN2O4/c1-4-23-9-5-6-16-14(13-10-12(21)7-8-17(13)22-16)11-15(19(24)26-2)18(23)20(25)27-3/h7-8,10,22H,4-6,9,11H2,1-3H3/b18-15+",ZCMLNSLVZOFZNP-OBGWFSINSA-N,374.1641854
"6beta-Hydroxyandrost-4-ene-3,11,17-trione",C19H24O4,C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C)O,"InChI=1S/C19H24O4/c1-18-6-5-10(20)7-13(18)14(21)8-11-12-3-4-16(23)19(12,2)9-15(22)17(11)18/h7,11-12,14,17,21H,3-6,8-9H2,1-2H3/t11-,12-,14+,17+,18-,19-/m0/s1",OMZRBBOMDPPXAU-UZOAVEMHSA-N,316.1674592
Leteprinim,C15H13N5O4,C1=CC(=CC=C1C(=O)O)NC(=O)CCN2C=NC3=C2N=CNC3=O,"InChI=1S/C15H13N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22)",JMPOIZCOJJMTHI-UHFFFAOYSA-N,327.0967539
Di-triazole,C26H24N6O2,COC1=CC=C(C=C1)CN2C=C(N=N2)C3=CC(=CC=C3)C4=CN(N=N4)CC5=CC=C(C=C5)OC,"InChI=1S/C26H24N6O2/c1-33-23-10-6-19(7-11-23)15-31-17-25(27-29-31)21-4-3-5-22(14-21)26-18-32(30-28-26)16-20-8-12-24(34-2)13-9-20/h3-14,17-18H,15-16H2,1-2H3",STKZPOFBTIKKRQ-UHFFFAOYSA-N,452.196074
Flavoramulone,C18H18O7,CC(C)(C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O)C(CO)O,"InChI=1S/C18H18O7/c1-18(2,12(22)7-19)9-6-11(21)17-13(15(9)24)14(23)8-4-3-5-10(20)16(8)25-17/h3-6,12,19-22,24H,7H2,1-2H3",DKJDHNFBKGHULW-UHFFFAOYSA-N,346.1052529
Lys-Ser-Pro-Val-Pro-Lys-Ser-Pro-Val-Glu-Glu-Lys-Gly,C61H104N16O20,CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N,"InChI=1S/C61H104N16O20/c1-33(2)48(58(94)70-39(21-23-46(82)83)54(90)68-38(20-22-45(80)81)53(89)67-36(15-6-9-25-63)51(87)66-30-47(84)85)73-56(92)43-18-11-27-75(43)60(96)41(32-79)72-52(88)37(16-7-10-26-64)69-55(91)42-17-13-29-77(42)61(97)49(34(3)4)74-57(93)44-19-12-28-76(44)59(95)40(31-78)71-50(86)35(65)14-5-8-24-62/h33-44,48-49,78-79H,5-32,62-65H2,1-4H3,(H,66,87)(H,67,89)(H,68,90)(H,69,91)(H,70,94)(H,71,86)(H,72,88)(H,73,92)(H,74,93)(H,80,81)(H,82,83)(H,84,85)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,48-,49-/m0/s1",LKRVLDBDTHAKCX-YNBFDDPPSA-N,1380.76128
Crocin-4,C27H36O9,C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C=C/C=C(\C)/C(=O)OC,"InChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11+,19-14+,20-15+/t21-,22-,23+,24-,27+/m1/s1",ATQIQIBBBWQWOT-OMNKTTJZSA-N,504.2359327
"3beta,5alpha-Dihydroxypregnan-20-one",C21H34O3,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@]4([C@@]3(CC[C@@H](C4)O)C)O)C,"InChI=1S/C21H34O3/c1-13(22)16-4-5-17-15-7-11-21(24)12-14(23)6-10-20(21,3)18(15)8-9-19(16,17)2/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19+,20+,21+/m0/s1",QNSKYRMSLNVOCG-RZNLRNPWSA-N,334.2507949
"3beta,5beta-Dihydroxypregnan-20-one",C21H34O3,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@]4([C@@]3(CC[C@@H](C4)O)C)O)C,"InChI=1S/C21H34O3/c1-13(22)16-4-5-17-15-7-11-21(24)12-14(23)6-10-20(21,3)18(15)8-9-19(16,17)2/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19+,20+,21-/m0/s1",QNSKYRMSLNVOCG-QTMQSYSPSA-N,334.2507949
Erysotine,C18H23NO4,CO[C@@H]1C[C@@]23C(=C[C@H]1O)CCN2CCC4=CC(=C(C=C34)OC)O,"InChI=1S/C18H23NO4/c1-22-16-9-13-11(7-14(16)20)3-5-19-6-4-12-8-15(21)17(23-2)10-18(12,13)19/h7-9,15,17,20-21H,3-6,10H2,1-2H3/t15-,17-,18+/m1/s1",HPQCIRWCBBADDQ-NXHRZFHOSA-N,317.1627082
Gardendiol,C10H14O4,C1C=C([C@@H]2[C@H]1[C@H](C(=O)OC2)CO)CO,"InChI=1S/C10H14O4/c11-3-6-1-2-7-8(4-12)10(13)14-5-9(6)7/h1,7-9,11-12H,2-5H2/t7-,8-,9-/m1/s1",RQRMWYOWQUEKAS-IWSPIJDZSA-N,198.0892089
Gymnemasin D,C36H58O11,C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(C[C@@H]5O)(C)C)CO)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,"InChI=1S/C36H58O11/c1-31(2)13-19-18-7-8-21-32(3)11-10-24(46-30-27(43)25(41)26(42)28(47-30)29(44)45)33(4,16-37)20(32)9-12-34(21,5)35(18,6)15-23(40)36(19,17-38)22(39)14-31/h7,19-28,30,37-43H,8-17H2,1-6H3,(H,44,45)/t19-,20+,21+,22-,23-,24-,25-,26-,27+,28-,30+,32-,33-,34+,35+,36+/m0/s1",DVHXMQRQAJOJBU-RZFFIWFDSA-N,666.3979127
Sarcorucinine D,C30H48N2O3,C[C@@H](C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H]([C@@H]4OC(=O)C)NC(=O)C=C(C)C)C)C)N(C)C,"InChI=1S/C30H48N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h11,17,19,21,23-26,28H,9-10,12-16H2,1-8H3,(H,31,34)/t19-,21-,23-,24-,25?,26-,28+,29+,30+/m0/s1",SYWAOYCXRQDRLP-WRKMJDDISA-N,484.3664934
Garcihombronane C,C31H48O4,C[C@H](CC(/C=C(\C)/C(=O)OC)O)[C@@]1(CC=C2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C,"InChI=1S/C31H48O4/c1-19(27(34)35-8)17-21(32)18-20(2)30(6)15-12-24-22-9-10-25-28(3,4)26(33)13-14-29(25,5)23(22)11-16-31(24,30)7/h12,17,20-21,25-26,32-33H,9-11,13-16,18H2,1-8H3/b19-17+/t20-,21?,25+,26-,29-,30+,31+/m1/s1",DSRXFFLSYVPYKU-ADYMGMCGSA-N,484.35526
H-Arg-Phe-Arg-Lys-OH,C27H47N11O5,C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N,"InChI=1S/C27H47N11O5/c28-13-5-4-11-20(25(42)43)37-23(40)19(12-7-15-35-27(32)33)36-24(41)21(16-17-8-2-1-3-9-17)38-22(39)18(29)10-6-14-34-26(30)31/h1-3,8-9,18-21H,4-7,10-16,28-29H2,(H,36,41)(H,37,40)(H,38,39)(H,42,43)(H4,30,31,34)(H4,32,33,35)/t18-,19-,20-,21-/m0/s1",GEKYIFURFZAJAM-TUFLPTIASA-N,605.3761636
p-Coumaroylgenipin gentiobioside,C31H38O17,C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O)O)C(=O)O)CO,"InChI=1S/C31H38O17/c32-9-14-4-7-16-17(28(41)42)10-44-29(21(14)16)48-31-27(40)25(38)23(36)19(47-31)12-45-30-26(39)24(37)22(35)18(46-30)11-43-20(34)8-3-13-1-5-15(33)6-2-13/h1-6,8,10,16,18-19,21-27,29-33,35-40H,7,9,11-12H2,(H,41,42)/b8-3+/t16-,18-,19-,21-,22-,23-,24+,25+,26-,27-,29+,30-,31+/m1/s1",PJMJSYJQPIMYEQ-USUVUYTESA-N,682.2108997
Shiga-Y5,C27H20F6O8,COC(=O)CCC(C(=O)/C=C/C1=CC(=C(C=C1)O)C(=O)C(F)(F)F)C(=O)/C=C/C2=CC(=C(C=C2)O)C(=O)C(F)(F)F,"InChI=1S/C27H20F6O8/c1-41-23(38)11-6-16(19(34)7-2-14-4-9-21(36)17(12-14)24(39)26(28,29)30)20(35)8-3-15-5-10-22(37)18(13-15)25(40)27(31,32)33/h2-5,7-10,12-13,16,36-37H,6,11H2,1H3/b7-2+,8-3+",DLMDSYHGKZJBBF-ZESFLVPWSA-N,586.1062366
Gymnemoside E,C59H98O28,C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)C)C)(C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)O)O)O)O,"InChI=1S/C59H98O28/c1-54(2)13-14-59(23-83-53-48(77)43(72)39(68)30(87-53)20-80-50-45(74)40(69)36(65)27(17-60)84-50)25(15-54)24-7-8-32-55(3)11-10-33(62)56(4,31(55)9-12-57(32,5)58(24,6)16-34(59)63)22-82-52-47(76)42(71)38(67)29(86-52)21-81-51-46(75)41(70)37(66)28(85-51)19-79-49-44(73)35(64)26(61)18-78-49/h7,25-53,60-77H,8-23H2,1-6H3/t25-,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,55-,56-,57+,58+,59+/m0/s1",VMIUFWCIPWLXKJ-RAWIQZHOSA-N,1254.624462
Gymnemoside F,C59H98O28,C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(C[C@@H]([C@@]5(C4=CC(CC5)(C)C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)C)C)(C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)O)O)O)O,"InChI=1S/C59H98O28/c1-54(2)13-14-59(23-83-53-48(77)43(72)39(68)30(87-53)20-80-50-45(74)40(69)36(65)27(17-60)84-50)25(15-54)24-7-8-32-55(3)11-10-33(62)56(4,31(55)9-12-57(32,5)58(24,6)16-34(59)63)22-82-52-47(76)42(71)38(67)29(86-52)21-81-51-46(75)41(70)37(66)28(85-51)19-79-49-44(73)35(64)26(61)18-78-49/h15,24,26-53,60-77H,7-14,16-23H2,1-6H3/t24-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48-,49+,50-,51-,52-,53-,55+,56+,57-,58-,59-/m1/s1",BESHSMVEBXPCAW-LLUKCTGUSA-N,1254.624462
Pktpkkakkl,C53H99N15O12,C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)O,"InChI=1S/C53H99N15O12/c1-32(2)31-41(53(79)80)66-49(75)38(19-7-12-26-56)64-47(73)37(18-6-11-25-55)61-44(70)33(3)60-46(72)36(17-5-10-24-54)63-48(74)39(20-8-13-27-57)65-51(77)42-23-16-30-68(42)52(78)43(34(4)69)67-50(76)40(21-9-14-28-58)62-45(71)35-22-15-29-59-35/h32-43,59,69H,5-31,54-58H2,1-4H3,(H,60,72)(H,61,70)(H,62,71)(H,63,74)(H,64,73)(H,65,77)(H,66,75)(H,67,76)(H,79,80)/t33-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1",ZSZMVAFYNVHXHA-BJSZDZKQSA-N,1137.759764
"methyl (1S,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate",C22H26N2O3,C/C=C/1\CN2[C@H]3C[C@@H]1C(C2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC,"InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4+/t16-,18-,19?,22?/m0/s1",IWEYXWIPVZEVPT-FIMHPGMCSA-N,366.1943427
"[(2R,3S,4S,5R,6S)-6-[[(1R,4R)-9-(benzoyloxymethyl)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate",C30H32O12,CC12C[C@H](C3C[C@]1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC=CC=C6)O)O)O)O,"InChI=1S/C30H32O12/c1-28-13-19(31)18-12-30(28,29(18,27(37)42-28)15-39-25(36)17-10-6-3-7-11-17)41-26-23(34)22(33)21(32)20(40-26)14-38-24(35)16-8-4-2-5-9-16/h2-11,18-23,26,31-34H,12-15H2,1H3/t18?,19-,20-,21-,22+,23-,26+,28?,29?,30+/m1/s1",ZHQGREQIJCCKHT-TUSVETBFSA-N,584.1893765
"[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate",C34H42O19,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@]3([C@@H]([C@H]([C@@H](O3)CO)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)CO)O)O)O,"InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23+,28+,29-,30-,31+,32+,33+,34+/m0/s1",FHIJMQWMMZEFBL-NVJLXFKSSA-N,754.2320291
"methyl (E)-2-[(6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate",C22H28N2O4,CC[C@H]1CN2CCC3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22?/m0/s1",DAXYUDFNWXHGBE-GXONQVTISA-N,384.2049074
coumaroyl(3-OMe)(-3)Fruf(b2-1b)Glc,C22H30O14,COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O,"InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+/m1/s1",ZPEADZHVGOCGKH-QIWADDKASA-N,518.1635556
Mucusoside,C48H93NO10,CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCC/C=C\CCCCC)O)O)O,"InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h12,14,39-46,48,50-56H,3-11,13,15-38H2,1-2H3,(H,49,57)/b14-12-/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1",XTJVDEHYUUVSBR-IMULZMGOSA-N,843.6799482
"N-(3-Chlorophenyl)-3-(2-hydroxypropyl)-1,2,4-thiadiazole-5-amine",C11H12ClN3OS,CC(CC1=NSC(=N1)NC2=CC(=CC=C2)Cl)O,"InChI=1S/C11H12ClN3OS/c1-7(16)5-10-14-11(17-15-10)13-9-4-2-3-8(12)6-9/h2-4,6-7,16H,5H2,1H3,(H,13,14,15)",HISLNMGCIUVEIT-UHFFFAOYSA-N,269.0389609
11-O-Isovanilloylbergenin,C22H22O12,COC1=C(C=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)C4=C(C(=C(C=C4C(=O)O3)O)OC)O)O)O)O,"InChI=1S/C22H22O12/c1-30-12-4-3-8(5-10(12)23)21(28)32-7-13-15(25)17(27)20-19(33-13)14-9(22(29)34-20)6-11(24)18(31-2)16(14)26/h3-6,13,15,17,19-20,23-27H,7H2,1-2H3/t13-,15-,17+,19+,20-/m1/s1",KSAAWQPENHJTRV-YJLWDSPXSA-N,478.1111261
N-Demethylsauroxine,C16H24N2O,C[C@@H]1C[C@@H]2CC3=C(CCC(=O)N3)[C@]4(C1)[C@H]2CCCN4,"InChI=1S/C16H24N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h10-12,17H,2-9H2,1H3,(H,18,19)/t10-,11-,12+,16+/m1/s1",SODGYLLKKFRBQO-YMEQNVIZSA-N,260.1888634
Asp-Ala-Glu-Phe-Arg-His-Asp-Ser,C40H57N13O16,C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(=O)O)N,"InChI=1S/C40H57N13O16/c1-19(47-33(62)22(41)14-30(57)58)32(61)48-24(9-10-29(55)56)35(64)50-25(12-20-6-3-2-4-7-20)36(65)49-23(8-5-11-45-40(42)43)34(63)51-26(13-21-16-44-18-46-21)37(66)52-27(15-31(59)60)38(67)53-28(17-54)39(68)69/h2-4,6-7,16,18-19,22-28,54H,5,8-15,17,41H2,1H3,(H,44,46)(H,47,62)(H,48,61)(H,49,65)(H,50,64)(H,51,63)(H,52,66)(H,53,67)(H,55,56)(H,57,58)(H,59,60)(H,68,69)(H4,42,43,45)/t19-,22-,23-,24-,25-,26-,27-,28-/m0/s1",VKGXBTMAYYOJEI-TUPPIJDUSA-N,975.4046228
Capreoside,C27H30O15,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](O5)CO)O)O)O)O)O)O)O,"InChI=1S/C27H30O15/c1-37-15-3-2-10(4-12(15)29)16-7-14(31)20-13(30)5-11(6-17(20)40-16)39-27-25(36)23(34)22(33)19(42-27)9-38-26-24(35)21(32)18(8-28)41-26/h2-7,18-19,21-30,32-36H,8-9H2,1H3/t18-,19+,21-,22+,23-,24+,25+,26+,27+/m0/s1",GHYGFLACCCIQKR-FZDLENLWSA-N,594.1584703
"N-[(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S,3R)-4-[3,5-bis(2H-tetrazol-5-yl)anilino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutyl]-2H-tetrazole-5-carboxamide",C35H46N18O6,CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC(=CC(=C2)C3=NNN=N3)C4=NNN=N4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCNC(=O)C5=NNN=N5)N,"InChI=1S/C35H46N18O6/c1-17(2)12-25(40-33(57)26(18(3)4)41-31(55)23(36)10-11-37-35(59)30-46-52-53-47-30)32(56)39-24(13-19-8-6-5-7-9-19)27(54)34(58)38-22-15-20(28-42-48-49-43-28)14-21(16-22)29-44-50-51-45-29/h5-9,14-18,23-27,54H,10-13,36H2,1-4H3,(H,37,59)(H,38,58)(H,39,56)(H,40,57)(H,41,55)(H,42,43,48,49)(H,44,45,50,51)(H,46,47,52,53)/t23-,24-,25-,26-,27+/m0/s1",XWIHFXFIXAMNRC-JSLVBRCRSA-N,814.3847713
Nuciferoside,C22H38O11,CC1=C(C(CCC1)(C)C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,"InChI=1S/C22H38O11/c1-10-5-4-6-22(2,3)11(10)8-30-20-19(29)17(27)15(25)13(33-20)9-31-21-18(28)16(26)14(24)12(7-23)32-21/h12-21,23-29H,4-9H2,1-3H3/t12-,13-,14-,15-,16+,17+,18-,19-,20-,21-/m1/s1",WFJDTYSQBHCNGC-LWZURRPWSA-N,478.241412
Neopanaxadiol,C30H52O3,C/C(=C\CCC(C)(C)O)/[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C,"InChI=1S/C30H52O3/c1-19(10-9-14-26(2,3)33)20-11-16-30(8)25(20)21(31)18-23-28(6)15-13-24(32)27(4,5)22(28)12-17-29(23,30)7/h10,20-25,31-33H,9,11-18H2,1-8H3/b19-10+/t20-,21-,22+,23-,24+,25+,28+,29-,30-/m1/s1",CZMPRYZUTNMZPT-XFDQNDEISA-N,460.3916455
Bulbocodin D,C29H28O5,COC1=C(C(=C(C(=C1)CCC2=CC(=CC=C2)O)CC3=CC=C(C=C3)O)O)CC4=CC=C(C=C4)O,"InChI=1S/C29H28O5/c1-34-28-18-22(10-5-19-3-2-4-25(32)15-19)26(16-20-6-11-23(30)12-7-20)29(33)27(28)17-21-8-13-24(31)14-9-21/h2-4,6-9,11-15,18,30-33H,5,10,16-17H2,1H3",SMIOMOUCRHKNNB-UHFFFAOYSA-N,456.193674
H-Sta-Glu-Val-Asn-Val-Ala-Glu-Phe-NH2,C44H70N10O14,C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@@H]([C@H](CC(C)C)N)O,"InChI=1S/C44H70N10O14/c1-21(2)17-26(45)31(55)20-33(57)49-27(13-15-34(58)59)41(65)53-37(23(5)6)44(68)52-30(19-32(46)56)42(66)54-36(22(3)4)43(67)48-24(7)39(63)50-28(14-16-35(60)61)40(64)51-29(38(47)62)18-25-11-9-8-10-12-25/h8-12,21-24,26-31,36-37,55H,13-20,45H2,1-7H3,(H2,46,56)(H2,47,62)(H,48,67)(H,49,57)(H,50,63)(H,51,64)(H,52,68)(H,53,65)(H,54,66)(H,58,59)(H,60,61)/t24-,26-,27-,28-,29-,30-,31-,36-,37-/m0/s1",DSPILWUIBNGXPK-TVZWHCCBSA-N,962.507297
bis-MEP,C34H46N8,CN(CCN(C)CC1=CC=CC(=N1)CCC2=NC(=CC=C2)CN(C)CCN(C)CC3=CC=CC=N3)CC4=CC=CC=N4,"InChI=1S/C34H46N8/c1-39(25-31-11-5-7-19-35-31)21-23-41(3)27-33-15-9-13-29(37-33)17-18-30-14-10-16-34(38-30)28-42(4)24-22-40(2)26-32-12-6-8-20-36-32/h5-16,19-20H,17-18,21-28H2,1-4H3",YGDGONYPNFXPIH-UHFFFAOYSA-N,566.3845435
Acanthocyclamine A,C26H44N2,C1CCN2CC[C@@H]3[C@H](C2)CC/C=C\CCCCN4C[C@H](CC/C=C\C1)C[C@H]3C4,"InChI=1S/C26H44N2/c1-3-7-11-16-27-18-15-26-24(21-27)14-10-6-2-4-8-12-17-28-20-23(13-9-5-1)19-25(26)22-28/h1-2,5-6,23-26H,3-4,7-22H2/b5-1-,6-2-/t23-,24+,25+,26-/m1/s1",GFLTUIGOCRWHIH-PPFJUTLXSA-N,384.3504494
"(1S,9S,13S,21R)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol",C34H26O8,CC1=C[C@H]2[C@H]3[C@H](C1)C4=C(C=C(C=C4)O)O[C@@]3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O,"InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33-,34-/m1/s1",MJJWBJFYYRAYKU-JGSKXVKLSA-N,562.1627678
Bacopaside XII,C52H84O22,CC(=CC1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3[C@@]1(C)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)CC[C@H]6[C@]4(CC[C@@H]7[C@@]6(CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)C)C)C,"InChI=1S/C52H84O22/c1-22(2)14-23-18-66-52-20-51(21-67-52)24(42(52)50(23,7)74-43-37(62)32(57)25(56)19-65-43)8-9-30-48(5)12-11-31(47(3,4)29(48)10-13-49(30,51)6)71-46-41(73-44-38(63)34(59)27(16-54)69-44)40(35(60)28(17-55)70-46)72-45-39(64)36(61)33(58)26(15-53)68-45/h14,23-46,53-64H,8-13,15-21H2,1-7H3/t23?,24-,25+,26-,27+,28-,29+,30-,31+,32+,33-,34+,35-,36+,37-,38-,39-,40+,41-,42+,43+,44+,45+,46+,48+,49-,50+,51+,52-/m1/s1",INCDBMYQGSJPIF-ZIKXXMFCSA-N,1060.545424
17-F2t-dihomo-IsoP,C22H38O5,CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@H]1C/C=C\CCCCCC(=O)O)O)O)O,"InChI=1S/C22H38O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18-,19+,20-,21+/m0/s1",ZCTAOAWRUXSOQF-HZVKQALWSA-N,382.2719243
"(2S,3R)-2-(2-aminopropanoylamino)-3-hydroxybutanoic acid",C7H14N2O4,C[C@H]([C@@H](C(=O)O)NC(=O)C(C)N)O,"InChI=1S/C7H14N2O4/c1-3(8)6(11)9-5(4(2)10)7(12)13/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3?,4-,5+/m1/s1",BUQICHWNXBIBOG-KSFOROOFSA-N,190.0953569
Ambap76-66-4,C22H28N2O4,CC[C@H]1CN2CC[C@]3(C2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19?,22+/m0/s1",DAXYUDFNWXHGBE-PRMJBSFUSA-N,384.2049074
"(2R)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide",C25H28N4O3,C1CC[C@@H]([C@H](C1)NC(=O)[C@H]2CN(C3=CC=CC=C3O2)CC4=CC=C(C=C4)N5C=CC=N5)O,"InChI=1S/C25H28N4O3/c30-22-8-3-1-6-20(22)27-25(31)24-17-28(21-7-2-4-9-23(21)32-24)16-18-10-12-19(13-11-18)29-15-5-14-26-29/h2,4-5,7,9-15,20,22,24,30H,1,3,6,8,16-17H2,(H,27,31)/t20-,22-,24+/m0/s1",LZCHTDQRMCSDSE-ODGPQVTHSA-N,432.2161408
Sigma-2 receptor antagonist 1,C24H33NO4S,CC(C)(C)OC1=C(C=CC(=C1)CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)C)O,"InChI=1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3",ISQAPFMBJFZOLG-UHFFFAOYSA-N,431.2130297
"N-(2-((4aR,6S,8aR)-2-Amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano(3,4-d)(1,3)thiazin-8a-yl)thiazol-4-yl)-5-(difluoromethoxy)pyridine-2-carboxamide",C18H19F2N5O3S2,C[C@H]1C[C@H]2CSC(=N[C@]2(CO1)C3=NC(=CS3)NC(=O)C4=NC=C(C=C4)OC(F)F)N,"InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1",ZLZUHACSRMOLLV-RAALSFIWSA-N,455.0897382
"5-Amino-3-(pyrrolo[2,3-c]pyridin-1-yl)isoquinoline",C16H12N4,C1=CC2=CN=C(C=C2C(=C1)N)N3C=CC4=C3C=NC=C4,"InChI=1S/C16H12N4/c17-14-3-1-2-12-9-19-16(8-13(12)14)20-7-5-11-4-6-18-10-15(11)20/h1-10H,17H2",PMOKTGDEWNHLBL-UHFFFAOYSA-N,260.1061964
"6-Fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine",C16H11FN4,C1=CC(=C(C2=CC(=NC=C21)N3C=CC4=C3C=NC=C4)N)F,"InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2",KAXAUWZJVWGFDO-UHFFFAOYSA-N,278.0967745
"2-Amino-1,3-oxazine",C4H6N2O,C1=COC(N=C1)N,"InChI=1S/C4H6N2O/c5-4-6-2-1-3-7-4/h1-4H,5H2",RWRGWJAYHSYMIU-UHFFFAOYSA-N,98.04801282
"(1R,9S,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one",C17H26N2O,C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]4(C1)C2CCCN4C,"InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12+,13?,17-/m1/s1",HXJHQEWSHQXRPH-JAECXMTMSA-N,274.2045135
SureCN14007024,C34H26O8,CC1=C[C@@H]2[C@@H]3C(C1)C4=C(C=C(C=C4)O)O[C@@]3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O,"InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23?,24-,33-,34+/m0/s1",MJJWBJFYYRAYKU-RKVAXOFUSA-N,562.1627678
1-(2-Oxo-2h-chromene-3-carbonyl)-3-(2-methoxyphenyl)thiourea,C18H14N2O4S,COC1=CC=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3OC2=O,"InChI=1S/C18H14N2O4S/c1-23-15-9-5-3-7-13(15)19-18(25)20-16(21)12-10-11-6-2-4-8-14(11)24-17(12)22/h2-10H,1H3,(H2,19,20,21,25)",LNGHOWOFDNAHRS-UHFFFAOYSA-N,354.0674281
"N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide",C22H21F2N5O3S,C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)C3=C(C(=CC(=C3)NC(=O)C4=CN=C(C=N4)OCC#C)F)F,"InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1",IPUJINDWAGRAHN-KNXBSLHKSA-N,473.1333171
"N-Methyl-2-(3-methylphenyl)imidazo(1,2-a)pyrimidin-7-amine",C14H14N4,CC1=CC(=CC=C1)C2=CN3C=CC(=NC3=N2)NC,"InChI=1S/C14H14N4/c1-10-4-3-5-11(8-10)12-9-18-7-6-13(15-2)17-14(18)16-12/h3-9H,1-2H3,(H,15,16,17)",HQNNPBZHBDAYAC-UHFFFAOYSA-N,238.1218465
Rubellin C,C30H22O9,CC1=CC2=C(C(=C1)O)C(=O)O[C@@H]2[C@]34CC5=CC(=C6C(=C5[C@H]3C=C[C@H]([C@H]4O)O)C(=O)C7=C(C6=O)C(=CC=C7)O)O,"InChI=1S/C30H22O9/c1-11-7-14-22(18(33)8-11)29(38)39-28(14)30-10-12-9-19(34)23-24(20(12)15(30)5-6-17(32)27(30)37)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,17,27-28,31-34,37H,10H2,1H3/t15-,17-,27-,28+,30-/m1/s1",FWHRHQWEGRLEBF-QKXMQONGSA-N,526.1263823
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-4-methylpyridazin-3-amine,C23H23FN6O,CC1=CC(=NN=C1N[C@@H](C)C2=CC=C(C=C2)F)C3=NC(=C(C=C3)N4C=C(N=C4)C)OC,"InChI=1S/C23H23FN6O/c1-14-11-20(28-29-22(14)26-16(3)17-5-7-18(24)8-6-17)19-9-10-21(23(27-19)31-4)30-12-15(2)25-13-30/h5-13,16H,1-4H3,(H,26,29)/t16-/m0/s1",JZCREVMHGYOLRL-INIZCTEOSA-N,418.1917375
Ococymosin,C22H24O6,C[C@@H]1[C@H](OC2=C1C3=C(C=C2CC=C)OCO3)C4=CC(=C(C(=C4)OC)OC)OC,"InChI=1S/C22H24O6/c1-6-7-13-8-17-22(27-11-26-17)18-12(2)19(28-20(13)18)14-9-15(23-3)21(25-5)16(10-14)24-4/h6,8-10,12,19H,1,7,11H2,2-5H3/t12-,19-/m0/s1",NURXSAWWSQDCDU-BUXKBTBVSA-N,384.1572885
Nodulisporiviridin G,C20H20O5,C[C@]12CCC(=O)C3=COC(=C31)C(=O)C4=C2[C@H](C[C@]5([C@H]4CCC5=O)C)O,"InChI=1S/C20H20O5/c1-19-6-5-11(21)9-8-25-18(15(9)19)17(24)14-10-3-4-13(23)20(10,2)7-12(22)16(14)19/h8,10,12,22H,3-7H2,1-2H3/t10-,12-,19-,20-/m0/s1",ZLLLRXUQFGPJIK-PBYSILGBSA-N,340.1310737
"8-(3,5-Dihydroxyphenoxy)-19-[2-[2-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]-4,6-dihydroxyphenyl]-3,5-dihydroxyphenoxy]-10,14,21-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,5,7,16,18-pentol",C48H30O23,C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=CC5=C(C(=C43)O)OC6=C(O5)C(=CC(=C6OC7=CC(=CC(=C7C8=C(C=C(C=C8OC9=C(C=C(C=C9OC1=C(C=C(C=C1O)O)O)O)O)O)O)O)O)O)O)O)O)O,"InChI=1S/C48H30O23/c49-15-1-16(50)3-21(2-15)65-43-28(61)12-24(57)38-39-33(68-47(38)43)14-35-46(40(39)64)71-48-44(29(62)13-30(63)45(48)70-35)67-32-10-19(53)5-23(56)37(32)36-22(55)4-18(52)9-31(36)66-42-27(60)8-20(54)11-34(42)69-41-25(58)6-17(51)7-26(41)59/h1-14,49-64H",ZIODPSDJZFPSFQ-UHFFFAOYSA-N,974.1177872
Cranad-58,C24H28BF2N3O2,B(O/C(=C/C(=O)/C=C/C1=CC=C(C=C1)N(C)C)/C=C/C2=CN=C(C=C2)N(CC)CC)(F)F,"InChI=1S/C24H28BF2N3O2/c1-5-30(6-2)24-16-11-20(18-28-24)10-15-23(32-25(26)27)17-22(31)14-9-19-7-12-21(13-8-19)29(3)4/h7-18H,5-6H2,1-4H3/b14-9+,15-10+,23-17+",AWCMUISDOOGOHS-FMIMUOIESA-N,439.2242636
Lycoposerramine U N-oxide,C17H25NO4,C[C@H]1CC(=O)[C@]23CCC[N+]4(CCC[C@]2(C4)C(=O)C[C@@H]3[C@H]1O)[O-],"InChI=1S/C17H25NO4/c1-11-8-14(20)17-5-3-7-18(22)6-2-4-16(17,10-18)13(19)9-12(17)15(11)21/h11-12,15,21H,2-10H2,1H3/t11-,12+,15-,16-,17+,18?/m0/s1",YNSHLUNKYWJPSR-LHEFUEARSA-N,307.1783583
Triptofordin B1,C29H34O6,C[C@@]1(CC[C@@H]([C@@]2([C@]13C[C@@H](C[C@@H]2OC(=O)C4=CC=CC=C4)C(O3)(C)C)C)OC(=O)C5=CC=CC=C5)O,"InChI=1S/C29H34O6/c1-26(2)21-17-23(34-25(31)20-13-9-6-10-14-20)28(4)22(33-24(30)19-11-7-5-8-12-19)15-16-27(3,32)29(28,18-21)35-26/h5-14,21-23,32H,15-18H2,1-4H3/t21-,22+,23+,27+,28+,29+/m1/s1",CYOADIGGOGPHKJ-APKWJLQYSA-N,478.2355388
Azo-stilbene,C28H22N2,C1=CC=C(C=C1)C=CC2=CC=CC=C2N=NC3=CC=CC=C3C=CC4=CC=CC=C4,InChI=1S/C28H22N2/c1-3-11-23(12-4-1)19-21-25-15-7-9-17-27(25)29-30-28-18-10-8-16-26(28)22-20-24-13-5-2-6-14-24/h1-22H,ZLPCVEVCHZENMS-UHFFFAOYSA-N,386.1782987
"1-(2-(4-(2-Fluorobenzyl)piperazin-1-yl)acetyl)indoline-2,3-dione",C21H20FN3O3,C1CN(CCN1CC2=CC=CC=C2F)CC(=O)N3C4=CC=CC=C4C(=O)C3=O,"InChI=1S/C21H20FN3O3/c22-17-7-3-1-5-15(17)13-23-9-11-24(12-10-23)14-19(26)25-18-8-4-2-6-16(18)20(27)21(25)28/h1-8H,9-14H2",SBJPTTLWQANMJR-UHFFFAOYSA-N,381.1488697
"N-hydroxy-3-(2-methyl-4-oxo-3-phenethyl-3,4-dihydro-quinazolin-7-yl)-acrylamide",C20H19N3O3,CC1=NC2=C(C=CC(=C2)C=CC(=O)NO)C(=O)N1CCC3=CC=CC=C3,"InChI=1S/C20H19N3O3/c1-14-21-18-13-16(8-10-19(24)22-26)7-9-17(18)20(25)23(14)12-11-15-5-3-2-4-6-15/h2-10,13,26H,11-12H2,1H3,(H,22,24)",NVEBAMFLYZFKKW-UHFFFAOYSA-N,349.1426415
1-benzyl-3-(2-hydroxyethyl)-N-[2-(3-pyridyl)ethyl]-3-pyrrolidinecarboxamide,C21H27N3O2,C1CN(CC1(CCO)C(=O)NCCC2=CN=CC=C2)CC3=CC=CC=C3,"InChI=1S/C21H27N3O2/c25-14-10-21(20(26)23-12-8-18-7-4-11-22-15-18)9-13-24(17-21)16-19-5-2-1-3-6-19/h1-7,11,15,25H,8-10,12-14,16-17H2,(H,23,26)",GEDCMGIFZWQXCT-UHFFFAOYSA-N,353.2103271
Rehmannioside C,C21H34O14,C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O,"InChI=1S/C21H34O14/c1-21(35-20-17(30)15(28)13(26)10(6-23)33-20)4-8(24)7-2-3-31-18(11(7)21)34-19-16(29)14(27)12(25)9(5-22)32-19/h2-3,7-20,22-30H,4-6H2,1H3/t7-,8+,9+,10+,11+,12+,13-,14-,15-,16+,17+,18-,19-,20+,21-/m0/s1",MITBZAODGSBUIS-YSCABPIUSA-N,510.1948558
"N-(4-chloro-2-isopropoxybenzyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine",C21H20ClN5O,CC(C)OC1=C(C=CC(=C1)Cl)CNC2=CC(=NC3=NC=NN23)C4=CC=CC=C4,"InChI=1S/C21H20ClN5O/c1-14(2)28-19-10-17(22)9-8-16(19)12-23-20-11-18(15-6-4-3-5-7-15)26-21-24-13-25-27(20)21/h3-11,13-14,23H,12H2,1-2H3",WBYNZQXAAWPAGR-UHFFFAOYSA-N,393.135638
"3-[18-(2-carboxyethyl)-7-ethenyl-17-(hydroxymethylidene)-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13-trimethyl-22H-porphyrin-2-yl]propanoic acid",C49H58N4O6,CC1=C(C2=CC3=NC(=CC4=C(C(=CO)C(=N4)C=C5C(=C(C(=N5)C=C1N2)[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)CCC(=O)O)C(=C3C)CCC(=O)O)C=C,"InChI=1S/C49H58N4O6/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39/h9,13,15,17,23-27,46,50,54-55H,1,10-12,14,16,18-22H2,2-8H3,(H,56,57)(H,58,59)/b29-15+,30-17+,37-27?,39-25?,40-24?,41-23?,42-26?/t46-/m0/s1",GXWMRLPEBCSCFJ-BGURTMHASA-N,798.4356356
"3,3',4',5-Tetrahydroxyflavone",C15H10O6,C1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O,"InChI=1S/C15H10O6/c16-8-5-4-7(6-10(8)18)15-14(20)13(19)12-9(17)2-1-3-11(12)21-15/h1-6,16-18,20H",QVWHONFKZJFYTO-UHFFFAOYSA-N,286.047738
"(1R,2R)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile",C16H8ClF6N5OS,C1[C@H]([C@@H]1C2=C(SC3=NC(=CC(=O)N23)CN4C(=CC(=N4)C(F)(F)F)Cl)C(F)(F)F)C#N,"InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/m0/s1",FTIBNGABJNFFAI-POYBYMJQSA-N,467.0042277
20(R)-Ginsenoside Rh1,C36H62O9,CC(=CCCC(C)([C@H]1CC[C@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C,"InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34-,35+,36?/m0/s1",RAQNTCRNSXYLAH-ZSAWPMQTSA-N,638.4393836
Dihexa,C27H44N4O5,CCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCCCC(=O)N,"InChI=1S/C27H44N4O5/c1-4-6-8-12-24(34)30-22(18-20-13-15-21(32)16-14-20)26(35)31-25(19(3)5-2)27(36)29-17-10-7-9-11-23(28)33/h13-16,19,22,25,32H,4-12,17-18H2,1-3H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t19-,22-,25-/m0/s1",XEUVNVNAVKZSPT-JTJYXVOQSA-N,504.3311705
5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile,C25H25N5O,CC1(CCCC1)CN2C=C(C=N2)C3=C(N=C(C=C3)C#N)C4=CC5=C(CN(C5=O)C)C=C4,"InChI=1S/C25H25N5O/c1-25(9-3-4-10-25)16-30-15-19(13-27-30)21-8-7-20(12-26)28-23(21)17-5-6-18-14-29(2)24(31)22(18)11-17/h5-8,11,13,15H,3-4,9-10,14,16H2,1-2H3",PREPVVXBTJBVOZ-UHFFFAOYSA-N,411.2059104
Gaiig,C19H35N5O6,CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)CN,"InChI=1S/C19H35N5O6/c1-6-10(3)15(18(29)21-9-14(26)27)24-19(30)16(11(4)7-2)23-17(28)12(5)22-13(25)8-20/h10-12,15-16H,6-9,20H2,1-5H3,(H,21,29)(H,22,25)(H,23,28)(H,24,30)(H,26,27)/t10-,11-,12-,15-,16-/m0/s1",BYMLPCNWVIWNNJ-IKUJJKIKSA-N,429.2587339
Hexamethylpropylene amine,C9H19N,C/C(=C(/C)\C(C)(C)C)/CN,"InChI=1S/C9H19N/c1-7(6-10)8(2)9(3,4)5/h6,10H2,1-5H3/b8-7+",MQJAWAQERVGUMA-BQYQJAHWSA-N,141.1517496
"(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one",C27H32O15,C[C@H]1[C@@H](C([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O,"InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22?,23-,24+,25+,26-,27+/m0/s1",OBKKEZLIABHSGY-UAJOUXOCSA-N,596.1741203
6-Hydroxymelatonin sulfate,C13H14N2O7S,CC(=O)NCCC1=C2N(C3=CC(=C(C=C31)OC)O)OS(=O)(=O)O2,"InChI=1S/C13H14N2O7S/c1-7(16)14-4-3-8-9-5-12(20-2)11(17)6-10(9)15-13(8)21-23(18,19)22-15/h5-6,17H,3-4H2,1-2H3,(H,14,16)",NOHSTXXKVUVVPU-UHFFFAOYSA-N,342.052172
Dehydroconiferyl alcohol,C10H10O3,COC1=C(C#CC(=C1)/C=C/CO)O,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-3,7,11-12H,6H2,1H3/b3-2+",HNEUSEOVPDUIEU-NSCUHMNNSA-N,178.0629942
Glucose gallate,C13H16O11,C1=C(C=C(C(=C1O)O)O)C(=O)OC2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,"InChI=1S/C13H16O11/c14-3-7-9(18)10(19)11(20)13(22,23-7)24-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,14-20,22H,3H2/t7-,9-,10+,11-,13?/m1/s1",RJXAEVQVQFKPKS-KPCWAIEQSA-N,348.0692613
Acetylsulfanyl-(2-hydroxyethyl)-dimethylazanium,C6H14NO2S,CC(=O)S[N+](C)(C)CCO,"InChI=1S/C6H14NO2S/c1-6(9)10-7(2,3)4-5-8/h8H,4-5H2,1-3H3/q+1",CQEAHGKKOZKFGI-UHFFFAOYSA-N,164.0745249
Thienoquinolone,C11H7NOS,C1=CC2=C(C3=C(C=C2)S(=O)C=C3)N=C1,InChI=1S/C11H7NOS/c13-14-7-5-9-10(14)4-3-8-2-1-6-12-11(8)9/h1-7H,PPAUHDAARVCYTH-UHFFFAOYSA-N,201.024835
Hexagalloylglucopyranose,C48H36O30,C1=C(C=C(C(=C1O)O)O)C(=O)C([C@@]2([C@@]([C@]([C@@](C(O2)(C(=O)C3=CC(=C(C(=C3)O)O)O)O)(C(=O)C4=CC(=C(C(=C4)O)O)O)O)(C(=O)C5=CC(=C(C(=C5)O)O)O)O)(C(=O)C6=CC(=C(C(=C6)O)O)O)O)C(=O)C7=CC(=C(C(=C7)O)O)O)O,"InChI=1S/C48H36O30/c49-19-1-13(2-20(50)32(19)62)31(61)43(73)44(38(68)14-3-21(51)33(63)22(52)4-14)45(74,39(69)15-5-23(53)34(64)24(54)6-15)46(75,40(70)16-7-25(55)35(65)26(56)8-16)47(76,41(71)17-9-27(57)36(66)28(58)10-17)48(77,78-44)42(72)18-11-29(59)37(67)30(60)12-18/h1-12,43,49-60,62-67,73-77H/t43?,44-,45-,46+,47-,48?/m1/s1",LUVDJTXKCMQDEY-HRDJYJDFSA-N,1092.12914
"(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal",C6H12O6,C([C@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O)O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6-/m0/s1",GZCGUPFRVQAUEE-FSIIMWSLSA-N,180.0633881
Dipyridothiazine,C10H7N3S,C1=CC2=C(NSC3=C2N=CC=C3)N=C1,"InChI=1S/C10H7N3S/c1-3-7-9-8(4-2-5-11-9)14-13-10(7)12-6-1/h1-6H,(H,12,13)",BIZNMDRDHFYXRA-UHFFFAOYSA-N,201.0360684
Methyl-aminoacridine,C14H12N2,CC1=C(C2=CC3=CC=CC=C3N=C2C=C1)N,"InChI=1S/C14H12N2/c1-9-6-7-13-11(14(9)15)8-10-4-2-3-5-12(10)16-13/h2-8H,15H2,1H3",ZSXLXOKFAYJDGI-UHFFFAOYSA-N,208.1000484
Carbon geranylgeranyl pyrophosphate,C83H132O28P8,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP1(=O)OC2(OP(=O)(O2)OP(=O)(OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OC34OP(=O)(O3)OP(=O)(O4)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OP(=O)(O1)OC56OP(=O)(O5)OP(=O)(O6)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C,"InChI=1S/C83H132O28P8/c1-65(2)33-21-37-69(9)41-25-45-73(13)49-29-53-77(17)57-61-92-112(84)96-81(100-116(88,101-81)108-112)97-113(85,93-62-58-78(18)54-30-50-74(14)46-26-42-70(10)38-22-34-66(3)4)109-117(89)102-82(103-117)98-114(86,94-63-59-79(19)55-31-51-75(15)47-27-43-71(11)39-23-35-67(5)6)110-118(90,104-82)105-83-99-115(87,111-119(91,106-83)107-83)95-64-60-80(20)56-32-52-76(16)48-28-44-72(12)40-24-36-68(7)8/h33-36,41-44,49-52,57-60H,21-32,37-40,45-48,53-56,61-64H2,1-20H3/b69-41+,70-42+,71-43+,72-44+,73-49+,74-50+,75-51+,76-52+,77-57+,78-58+,79-59+,80-60+",OMGBCMNKSVCWBB-KHHOUPOGSA-N,1824.68061
(N-propargyl-(3r)aminoindan-5-yl)-ethyl methyl carbamate,C16H20N2O2,CC(C1=CC2=C(C=C1)[C@@H](CC2)NCC#C)NC(=O)OC,"InChI=1S/C16H20N2O2/c1-4-9-17-15-8-6-13-10-12(5-7-14(13)15)11(2)18-16(19)20-3/h1,5,7,10-11,15,17H,6,8-9H2,2-3H3,(H,18,19)/t11?,15-/m1/s1",WCEAGJPUEVIYOY-JOPIAHFSSA-N,272.1524779
Carboxypiperazinylpropylphosphonic acid,C8H17N2O5P,C1CN(CCN1)CCCP(=O)(O)OC(=O)O,"InChI=1S/C8H17N2O5P/c11-8(12)15-16(13,14)7-1-4-10-5-2-9-3-6-10/h9H,1-7H2,(H,11,12)(H,13,14)",UXXFTHXWUGOCIL-UHFFFAOYSA-N,252.0875086
8-Hydroxy-2-(n-dipropylamino) tetralin,C16H25NO,CCCN(C1=CC=CC2=C1CCCC2)C(CC)O,"InChI=1S/C16H25NO/c1-3-12-17(16(18)4-2)15-11-7-9-13-8-5-6-10-14(13)15/h7,9,11,16,18H,3-6,8,10,12H2,1-2H3",UROJVEWKYZWQCT-UHFFFAOYSA-N,247.1936144
Adenosylselenohomocysteine,C14H19N6O5Se,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN[C@@H](CC[Se])C(=O)O)O)O)N,"InChI=1S/C14H19N6O5Se/c15-11-8-12(18-4-17-11)20(5-19-8)13-10(22)9(21)7(25-13)3-16-6(1-2-26)14(23)24/h4-7,9-10,13,16,21-22H,1-3H2,(H,23,24)(H2,15,17,18)/t6-,7+,9+,10+,13+/m0/s1",HQGYPDCECKDCME-WFMPWKQPSA-N,431.05821
(Phospho-)creatine,C4H8N3O4P,CN(C(C(=O)O)P(=O)=O)C(=N)N,"InChI=1S/C4H8N3O4P/c1-7(4(5)6)2(3(8)9)12(10)11/h2H,1H3,(H3,5,6)(H,8,9)",CWSPUWLDOVALNL-UHFFFAOYSA-N,193.0252427
(s)-N-(4-nitrophenoxycarbonyl) phenyl-alanine methoxyethyl ester,C19H20N2O7,C[C@@H](C(=O)OCCOC)N(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C19H20N2O7/c1-14(18(22)27-13-12-26-2)20(15-6-4-3-5-7-15)19(23)28-17-10-8-16(9-11-17)21(24)25/h3-11,14H,12-13H2,1-2H3/t14-/m0/s1",KSGPMESCVVDSKH-AWEZNQCLSA-N,388.127051
"1,3-Capryloyl-2-arachidonoyl glycerol",C31H52O5,CCCCCCCC(=O)C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C(=O)C(C(CO)O)O,"InChI=1S/C31H52O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-22-24-27(30(35)31(36)29(34)26-32)28(33)25-23-20-8-6-4-2/h10-11,13-14,16-17,19,21,27,29,31-32,34,36H,3-9,12,15,18,20,22-26H2,1-2H3/b11-10-,14-13-,17-16-,21-19-",VROJBIAVAVZJGL-ATLWAXJLSA-N,504.3814748
n-Formylmethioninamide,C6H12N2O2S,CSCC[C@@H](C(=O)NC=O)N,"InChI=1S/C6H12N2O2S/c1-11-3-2-5(7)6(10)8-4-9/h4-5H,2-3,7H2,1H3,(H,8,9,10)/t5-/m0/s1",FPSJJBFAPMJUQD-YFKPBYRVSA-N,176.0619488
"2-benzyl-5,6-dimethoxy-2-(piperidin-1-ylmethyl)-3H-inden-1-one",C24H29NO3,COC1=C(C=C2C(=C1)CC(C2=O)(CC3=CC=CC=C3)CN4CCCCC4)OC,"InChI=1S/C24H29NO3/c1-27-21-13-19-16-24(15-18-9-5-3-6-10-18,17-25-11-7-4-8-12-25)23(26)20(19)14-22(21)28-2/h3,5-6,9-10,13-14H,4,7-8,11-12,15-17H2,1-2H3",LUBZAXYQOJWPMX-UHFFFAOYSA-N,379.2147438
Carboxypiperazinyl propylphosphonic acid,C8H17N2O5P,CCCP(=O)(OC(=O)O)ON1CCNCC1,"InChI=1S/C8H17N2O5P/c1-2-7-16(13,14-8(11)12)15-10-5-3-9-4-6-10/h9H,2-7H2,1H3,(H,11,12)",WLYGBEPXYYQNDT-UHFFFAOYSA-N,252.0875086
2-(4'-Methyl-aminophenyl)-6-hydroxybenzothiazole,C14H12N2OS,CC1=CC(=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)N,"InChI=1S/C14H12N2OS/c1-8-2-4-10(11(15)6-8)14-16-12-5-3-9(17)7-13(12)18-14/h2-7,17H,15H2,1H3",QNRPHCCHROQPRI-UHFFFAOYSA-N,256.0670342
s-Lauroylglutathione,C22H39N3O7S,CCCCCCCCCCCC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C22H39N3O7S/c1-2-3-4-5-6-7-8-9-10-11-20(29)33-15-17(21(30)24-14-19(27)28)25-18(26)13-12-16(23)22(31)32/h16-17H,2-15,23H2,1H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t16-,17-/m0/s1",HABLMHYVCUSCJS-IRXDYDNUSA-N,489.2508718
"3,5-Bis(styryl)isoxazole",C19H15NO,C1=CC=C(C=C1)C=CC2=CC(=NO2)C=CC3=CC=CC=C3,InChI=1S/C19H15NO/c1-3-7-16(8-4-1)11-13-18-15-19(21-20-18)14-12-17-9-5-2-6-10-17/h1-15H,ZHJGWSNJLOHKAP-UHFFFAOYSA-N,273.1153641
2-(4'-Methyl-aminophenyl)benzothiazole,C14H12N2S,CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3S2)N,"InChI=1S/C14H12N2S/c1-9-6-7-10(11(15)8-9)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3",UVMCSWYACYNJQQ-UHFFFAOYSA-N,240.0721196
3-Quinuclidinyl 2-(5-bromothienyl)-2-thienylglycolate,C17H20BrNO3S2,C1CN2CCC1C(C2)OC(=O)C(C3(CC=CS3)C4=CC=C(S4)Br)O,"InChI=1S/C17H20BrNO3S2/c18-14-3-2-13(24-14)17(6-1-9-23-17)15(20)16(21)22-12-10-19-7-4-11(12)5-8-19/h1-3,9,11-12,15,20H,4-8,10H2",ZHRXCFDUYIFJNW-UHFFFAOYSA-N,429.0068
trans-5-(1'-Hydroxy-3'-methylbutyl)-3-methyldihydrofuran-2-one,C10H18O3,C[C@H]1C[C@@H](OC1=O)C(CC(C)C)O,"InChI=1S/C10H18O3/c1-6(2)4-8(11)9-5-7(3)10(12)13-9/h6-9,11H,4-5H2,1-3H3/t7-,8?,9+/m0/s1",JOINRCOGXXPQPT-UBGVJBJISA-N,186.1255944
trans-5-(1'-Oxo-3'-methylbutyl)-3-methyldihydrofuran-2-one,C10H16O3,C[C@H]1C[C@@H](OC1=O)C(=O)CC(C)C,"InChI=1S/C10H16O3/c1-6(2)4-8(11)9-5-7(3)10(12)13-9/h6-7,9H,4-5H2,1-3H3/t7-,9+/m0/s1",AUGUPBPOXHBNOS-IONNQARKSA-N,184.1099444
Carbon farnesyl pyrophosphate,C63H100O28P8,CC(=CCCC(=CCCC(=CCOP1(=O)OC2(OP(=O)(O2)OP(=O)(OCC=C(C)CCC=C(C)CCC=C(C)C)OC34OP(=O)(O3)OP(=O)(O4)OCC=C(C)CCC=C(C)CCC=C(C)C)OP(=O)(O1)OC56OP(=O)(O5)OP(=O)(O6)OCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C,"InChI=1S/C63H100O28P8/c1-49(2)25-17-29-53(9)33-21-37-57(13)41-45-72-92(64)76-61(80-96(68,81-61)88-92)77-93(65,73-46-42-58(14)38-22-34-54(10)30-18-26-50(3)4)89-97(69)82-62(83-97)78-94(66,74-47-43-59(15)39-23-35-55(11)31-19-27-51(5)6)90-98(70,84-62)85-63-79-95(67,91-99(71,86-63)87-63)75-48-44-60(16)40-24-36-56(12)32-20-28-52(7)8/h25-28,33-36,41-44H,17-24,29-32,37-40,45-48H2,1-16H3",QIQLPQKNPMECPE-UHFFFAOYSA-N,1552.430209
"(e,e)-1-Iodo-2,5-bis(3-hydroxycarbonyl-4-methoxy)styryl-benzene",C18H15IO6,C1=CC=C(C=C1)/C=C/C2=C(C(=CC(=C2)OCC(=O)O)I)OCC(=O)O,"InChI=1S/C18H15IO6/c19-15-9-14(24-10-16(20)21)8-13(18(15)25-11-17(22)23)7-6-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)(H,22,23)/b7-6+",LZNDLLQYFXXEJQ-VOTSOKGWSA-N,453.99134
Cyclopropyl chromane,C12H14O,C1CC1C2CCC3=CC=CC=C3O2,"InChI=1S/C12H14O/c1-2-4-11-9(3-1)7-8-12(13-11)10-5-6-10/h1-4,10,12H,5-8H2",XKTGJFKCEMNSEQ-UHFFFAOYSA-N,174.1044651
2-((Diethylamino)methyl)-1-hydroxy-3-(3-methylbut-2-enyloxy)-9h-xanthen-9-one,C23H27NO4,CCN(CC)CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3O2)OCC=C(C)C,"InChI=1S/C23H27NO4/c1-5-24(6-2)14-17-19(27-12-11-15(3)4)13-20-21(23(17)26)22(25)16-9-7-8-10-18(16)28-20/h7-11,13,26H,5-6,12,14H2,1-4H3",AROITTZPMKAQSP-UHFFFAOYSA-N,381.1940083
Glucosylstigmasterol,C35H58O7,CCC(/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(C(C[C@@H](C4)O)C5([C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)C)C(C)C,"InChI=1S/C35H58O7/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-16-23(37)17-29(34(22,6)27(24)14-15-33(25,26)5)35(41)32(40)31(39)30(38)28(18-36)42-35/h8-10,19-21,23-32,36-41H,7,11-18H2,1-6H3/b9-8+/t20-,21?,23-,24+,25-,26+,27+,28-,29?,30-,31+,32-,33-,34+,35?/m1/s1",CZVANPQWLYCLDW-PKKWSHEYSA-N,590.4182542
1-Palmitoyl-2-(pyren-1-yl)hexanoyl-sn-glycero-3-phosphoglycerol,C44H63O10P,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC(C(CO)O)C(=O)C(CCCC)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O,"InChI=1S/C44H63O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-22-40(48)52-30-35(46)31-53-55(50,51)54-44(39(47)29-45)43(49)38(21-6-4-2)36-27-25-34-24-23-32-19-18-20-33-26-28-37(36)42(34)41(32)33/h18-20,23-28,35,38-39,44-47H,3-17,21-22,29-31H2,1-2H3,(H,50,51)/t35-,38?,39?,44?/m1/s1",AXXMUUAMBDAAKF-RZJDFDLMSA-N,782.4158852
"4-Formyl-1,2,3-triazoline",C3H5N3O,C1C(NN=N1)C=O,"InChI=1S/C3H5N3O/c7-2-3-1-4-6-5-3/h2-3H,1H2,(H,4,5)",AQOFBDGDVQAGDV-UHFFFAOYSA-N,99.04326179
Nitromemantine,C14H24N2O3,CCC12CC3(CC(C1)(CC(C2)(C3)O[N+](=O)[O-])N)CC,"InChI=1S/C14H24N2O3/c1-3-11-5-12(4-2)7-13(15,6-11)10-14(8-11,9-12)19-16(17)18/h3-10,15H2,1-2H3",SENUTBBWBZZNRT-UHFFFAOYSA-N,268.1786926
coumaroyl(3-OMe)(-3)Fruf(a2-1a)Glc,C22H30O14,COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O,"InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22-/m1/s1",ZPEADZHVGOCGKH-HNDQWBAUSA-N,518.1635556
Naringenin 7-O-beta-D-glucuronide(mixture of diastereomers),C21H20O11,C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3C(C([C@@H](C(O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O,"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13-,16?,17+,18?,19?,21-/m1/s1",BDCRTIDKZGEVEN-PFLRAUJISA-N,448.1005615
pThr-Pro,C9H17N2O7P,C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)N)OP(=O)(O)O,"InChI=1S/C9H17N2O7P/c1-5(18-19(15,16)17)7(10)8(12)11-4-2-3-6(11)9(13)14/h5-7H,2-4,10H2,1H3,(H,13,14)(H2,15,16,17)/t5-,6+,7+/m1/s1",IOUVKIWTGKDQAN-VQVTYTSYSA-N,296.0773379
"Daidzein 4',7-diglucoside",C27H30O14,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O,"InChI=1S/C27H30O14/c28-8-17-20(31)22(33)24(35)26(40-17)38-12-3-1-11(2-4-12)15-10-37-16-7-13(5-6-14(16)19(15)30)39-27-25(36)23(34)21(32)18(9-29)41-27/h1-7,10,17-18,20-29,31-36H,8-9H2",VWEWSCDQMVNOJP-UHFFFAOYSA-N,578.1635556
Crocin 4,C27H36O9,C/C(=C\C=C\C=C(\C)/C=C/C=C(\C)/C(=O)OC1C(C(C(C(O1)CO)O)O)O)/C=C/C=C(/C)\C(=O)OC,"InChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11-,19-14-,20-15+",ATQIQIBBBWQWOT-QNFREAFUSA-N,504.2359327
Feruperine,C17H21NO3,COC1=C(C=CC(=C1)/C=C\C=C\C(=O)N2CCCCC2)O,"InChI=1S/C17H21NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3/b7-3-,8-4+",IUGIGWWOEYFTDM-KYPMKJFLSA-N,287.1521435
"3',6-Disinapoylsucrose",C34H42O19,COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)CO)O)O)O,"InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+",FHIJMQWMMZEFBL-KQQUZDAGSA-N,754.2320291
Peonidin 3-sambubioside 5-glucoside,C33H41O20,COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@H](O6)CO)O)O)O,"InChI=1S/C33H40O20/c1-46-17-4-11(2-3-14(17)38)29-18(49-33-30(26(43)23(40)20(9-35)52-33)53-32-27(44)24(41)21(10-36)51-32)7-13-15(47-29)5-12(37)6-16(13)48-31-28(45)25(42)22(39)19(8-34)50-31/h2-7,19-28,30-36,39-45H,8-10H2,1H3,(H-,37,38)/p+1/t19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,30-,31-,32+,33-/m1/s1",SAYKPBCLCFGKFE-YHZZWPFKSA-O,757.2191187
"10-alpha-Methoxy-9,10-dihydrolysergol",C17H22N2O2,CN1C[C@@H](CC2(C1CC3=CNC4=CC=CC2=C34)OC)CO,"InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15?,17?/m1/s1",JGQZSBLQHCTAJF-NFXPUDJFSA-N,286.1681279
5-(2-Pyrrolidin-1-yl)isoxazoline,C7H12N2O,C1CCN(C1)C2CC=NO2,"InChI=1S/C7H12N2O/c1-2-6-9(5-1)7-3-4-8-10-7/h4,7H,1-3,5-6H2",PIBVUWQLDGPAQQ-UHFFFAOYSA-N,140.094963
Neophleghenrine A,C16H22N2O,CC1=CC2C[C@@]34[C@@H]([C@@H]1[C@H]5[C@@H]2CCCN53)CCC(=O)N4,"InChI=1S/C16H22N2O/c1-9-7-10-8-16-12(4-5-13(19)17-16)14(9)15-11(10)3-2-6-18(15)16/h7,10-12,14-15H,2-6,8H2,1H3,(H,17,19)/t10?,11-,12-,14-,15-,16+/m1/s1",SCQBRWVPVZZWNH-IQLYTUHSSA-N,258.1732133
Jal-TA9,C48H75N13O12S,CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=C(C=C2)O)N,"InChI=1S/C48H75N13O12S/c1-4-28(2)40(47(72)73)61-45(70)35(19-22-74-3)60-44(69)34(14-10-21-53-48(51)52)59-46(71)36(24-29-11-6-5-7-12-29)56-38(64)25-55-43(68)37(27-62)57-39(65)26-54-42(67)33(13-8-9-20-49)58-41(66)32(50)23-30-15-17-31(63)18-16-30/h5-7,11-12,15-18,28,32-37,40,62-63H,4,8-10,13-14,19-27,49-50H2,1-3H3,(H,54,67)(H,55,68)(H,56,64)(H,57,65)(H,58,66)(H,59,71)(H,60,69)(H,61,70)(H,72,73)(H4,51,52,53)/t28-,32-,33-,34-,35-,36-,37-,40-/m0/s1",XEJPZBFHSVDGEK-MEVQUHMGSA-N,1057.537886
Ana-TA9,C45H76N14O13S,CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N,"InChI=1S/C45H76N14O13S/c1-5-24(2)36(44(71)72)59-42(69)32(17-20-73-4)57-41(68)30(10-8-19-51-45(49)50)56-43(70)33(21-26-11-13-27(61)14-12-26)58-37(64)25(3)53-40(67)31(15-16-34(48)62)54-35(63)22-52-39(66)29(9-6-7-18-46)55-38(65)28(47)23-60/h11-14,24-25,28-33,36,60-61H,5-10,15-23,46-47H2,1-4H3,(H2,48,62)(H,52,66)(H,53,67)(H,54,63)(H,55,65)(H,56,70)(H,57,68)(H,58,64)(H,59,69)(H,71,72)(H4,49,50,51)/t24-,25-,28-,29-,30-,31-,32-,33-,36-/m0/s1",CQMMNXPZQQAVIT-GBNBVUGDSA-N,1052.5437
"3',4',5',6'-Tetradehydrogeissospermine",C40H45N4O3,CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N([C@@H](OC5)[C@@H]([C@H]\6CC7=[N+](C/C6=C/C)C=CC8=C7NC9=CC=CC=C89)C(=O)OC)C1=CC=CC=C41,"InChI=1S/C40H44N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-14,16,23,27-29,34-35,37-38H,4,15,17-22H2,1-3H3/p+1/b24-5-/t23-,27+,28+,29+,34+,35-,37+,38+,40-/m1/s1",NTYUVNILMFXXRA-SNDVQFAZSA-O,629.3491663
"1-(Anthracen-9-ylmethyl)-4-[[34-[[1-(anthracen-9-ylmethyl)triazol-4-yl]methoxy]-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl]oxymethyl]triazole",C79H72N6O10,COC1=CC2=C(C=C1CC3=CC(=C(CC4=CC(=C(CC5=C(C=C(CC6=C(C=C(C2)C(=C6)OC)OC)C(=C5)OCC7=CN(N=N7)CC8=C9C=CC=CC9=CC1=CC=CC=C18)OCC1=CN(N=N1)CC1=C2C=CC=CC2=CC2=CC=CC=C21)C=C4OC)OC)C=C3OC)OC)OC,"InChI=1S/C79H72N6O10/c1-86-70-34-54-28-56-36-76(92-7)58(38-74(56)90-5)30-60-40-79(95-47-63-43-85(83-81-63)45-69-66-23-15-11-19-50(66)26-51-20-12-16-24-67(51)69)61(41-78(60)94-46-62-42-84(82-80-62)44-68-64-21-13-9-17-48(64)25-49-18-10-14-22-65(49)68)31-59-39-75(91-6)57(37-77(59)93-8)29-55-35-71(87-2)53(33-73(55)89-4)27-52(70)32-72(54)88-3/h9-26,32-43H,27-31,44-47H2,1-8H3",VONIBZDGZWFHTM-UHFFFAOYSA-N,1264.530993
"15alpha,17beta-Dihydroxy-6beta,7beta-epoxyandrost-1,4-diene-3-one",C19H24O4,C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](C[C@@H]2O)O)[C@@H]4[C@@H](O4)C5=CC(=O)C=C[C@]35C,"InChI=1S/C19H24O4/c1-18-5-3-9(20)7-11(18)16-17(23-16)14-10(18)4-6-19(2)13(22)8-12(21)15(14)19/h3,5,7,10,12-17,21-22H,4,6,8H2,1-2H3/t10-,12-,13-,14+,15-,16-,17+,18+,19+/m0/s1",VIMMGKACBCCEIM-FUSWCRHJSA-N,316.1674592
Jionoside C,C29H36O13,CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C\C3=CC(=C(C=C3)O)O)CO)OCCC4=CC=CC=C4)O)O)O)O,"InChI=1S/C29H36O13/c1-15-22(34)23(35)24(36)29(39-15)42-27-25(37)28(38-12-11-16-5-3-2-4-6-16)40-20(14-30)26(27)41-21(33)10-8-17-7-9-18(31)19(32)13-17/h2-10,13,15,20,22-32,34-37H,11-12,14H2,1H3/b10-8-",UKRDIRUVTNZWOU-NTMALXAHSA-N,592.2155912
coumaroyl(3-OMe)(-3)L-Fruf(b2-1a)L-Glc,C22H30O14,COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H](O[C@]2(CO)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)CO)O)O,"InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m0/s1",ZPEADZHVGOCGKH-CPVMDULSSA-N,518.1635556
"(2R,3R,4R,5S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid",C21H20O11,C1C(OC2=CC(=CC(=C2C1=O)O)OC3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O,"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21?/m1/s1",BDCRTIDKZGEVEN-IDPBCYSYSA-N,448.1005615
"N-[3-[(4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide",C19H19F2N5O3S,COC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)C34COC(C3CSC(=N4)N)C[18F],"InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/i20-1",YZXTXNWZTAVDKH-LRFGSCOBSA-N,434.120201
"[2,3,4,5-Tetrakis(trifluoromethyl)phenoxy]boronic acid",C10H3BF12O3,B(O)(O)OC1=C(C(=C(C(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1S/C10H3BF12O3/c12-7(13,14)2-1-3(26-11(24)25)5(9(18,19)20)6(10(21,22)23)4(2)8(15,16)17/h1,24-25H",CQKXFEWAVWAUIZ-UHFFFAOYSA-N,409.9983621
"(2-hydroxy-3-sulfopropyl)-dimethyl-[3-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azanium",C32H59N2O8S,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,"InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21-,22-,23?,24-,25+,26+,27-,28+,30+,31+,32+/m1/s1",GUQQBLRVXOUDTN-CPRXJOAMSA-O,631.399213
"(3S,3aR,4R,4aS,8aR,9aS)-4-((E)-2-((2S,6R)-1,6-dimethylpiperidin-2-yl)vinyl)-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one",C22H35NO2,C[C@@H]1CCC[C@H](N1C)/C=C/[C@@H]2[C@H]3CCCC[C@H]3C[C@H]4[C@@H]2[C@@H](OC4=O)C,"InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16+,17+,18+,19-,20+,21-/m1/s1",FMPNFDSPHNUFOS-KQSHNYAISA-N,345.2667794
"N-[(2S)-1-[[1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide",C19H37N5O5,CC(C)CC(CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,"InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12?,13?,15-/m1/s1",LMIQCBIEAHJAMZ-SSDMNJCBSA-N,415.2794693
"Methyl (12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate",C22H26N2O3,C/C=C\1/CN2[C@H]3CC4=C(C2C[C@@H]1C3(CO)C(=O)OC)N(C5=CC=CC=C45)C,"InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-/t16-,18?,19-,22?/m0/s1",IWEYXWIPVZEVPT-RAVRWMCNSA-N,366.1943427
Nicotine C-11,C10H14N2,[11CH3]N1CCC[C@H]1C2=CN=CC=C2,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i1-1",SNICXCGAKADSCV-FXKBKNDVSA-N,161.1271311
Bavarostat,C20H27FN2O2,CN(CC1=C(C=C(C=C1)C(=O)NO)F)CC23CC4CC(C2)CC(C4)C3,"InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)",IGZQZELTOHAHNW-UHFFFAOYSA-N,346.2056563
Contilisant,C22H31N3O,CN1C2=C(C=C(C=C2)OCCCN3CCCCC3)C=C1CN(C)CC#C,"InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3",NQDGCGNKNJWZHP-UHFFFAOYSA-N,353.2467126
cyclo[-Lys-Leu-Val-Phe-Phe-],C35H50N6O5,CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CC=CC=C2)CC3=CC=CC=C3)C(C)C,"InChI=1S/C35H50N6O5/c1-22(2)19-27-34(45)41-30(23(3)4)35(46)40-29(21-25-15-9-6-10-16-25)33(44)39-28(20-24-13-7-5-8-14-24)32(43)37-26(31(42)38-27)17-11-12-18-36/h5-10,13-16,22-23,26-30H,11-12,17-21,36H2,1-4H3,(H,37,43)(H,38,42)(H,39,44)(H,40,46)(H,41,45)/t26-,27-,28-,29-,30-/m0/s1",JYWLDFNOKGBRHE-IIZANFQQSA-N,634.3842687
acetyl-Glu-Val-Lys-Met-Asp-Ala-Glu-Phe-NH2,C44H68N10O15S,C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)C,"InChI=1S/C44H68N10O15S/c1-23(2)36(54-42(67)28(48-25(4)55)14-16-33(56)57)44(69)51-27(13-9-10-19-45)39(64)50-30(18-20-70-5)41(66)53-32(22-35(60)61)43(68)47-24(3)38(63)49-29(15-17-34(58)59)40(65)52-31(37(46)62)21-26-11-7-6-8-12-26/h6-8,11-12,23-24,27-32,36H,9-10,13-22,45H2,1-5H3,(H2,46,62)(H,47,68)(H,48,55)(H,49,63)(H,50,64)(H,51,69)(H,52,65)(H,53,66)(H,54,67)(H,56,57)(H,58,59)(H,60,61)/t24-,27-,28-,29-,30-,31-,32-,36-/m0/s1",KDLSNHQCPUTMEC-NBZZMDPYSA-N,1008.458633
Pro-Gly-Leu-Lys-Glu-Ser-Pro-Leu-Gln-Ile-Gly-Ala-Ala-Pro-Gly-Leu-Lys,C76H130N20O22,CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3,"InChI=1S/C76H130N20O22/c1-11-43(8)62(73(114)83-36-58(99)84-44(9)63(104)85-45(10)74(115)95-31-17-22-55(95)71(112)82-38-60(101)87-52(34-41(4)5)69(110)91-50(76(117)118)20-13-15-29-78)94-67(108)48(24-26-57(79)98)90-70(111)53(35-42(6)7)92-72(113)56-23-18-32-96(56)75(116)54(39-97)93-66(107)49(25-27-61(102)103)89-65(106)47(19-12-14-28-77)88-68(109)51(33-40(2)3)86-59(100)37-81-64(105)46-21-16-30-80-46/h40-56,62,80,97H,11-39,77-78H2,1-10H3,(H2,79,98)(H,81,105)(H,82,112)(H,83,114)(H,84,99)(H,85,104)(H,86,100)(H,87,101)(H,88,109)(H,89,106)(H,90,111)(H,91,110)(H,92,113)(H,93,107)(H,94,108)(H,102,103)(H,117,118)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,62-/m0/s1",YMPHCXNERIQRFQ-GKUXVYPFSA-N,1674.966856
Lys-Leu-Val-Gly-Phe-amide,C28H47N7O5,CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CCCCN)N,"InChI=1S/C28H47N7O5/c1-17(2)14-22(34-26(38)20(30)12-8-9-13-29)27(39)35-24(18(3)4)28(40)32-16-23(36)33-21(25(31)37)15-19-10-6-5-7-11-19/h5-7,10-11,17-18,20-22,24H,8-9,12-16,29-30H2,1-4H3,(H2,31,37)(H,32,40)(H,33,36)(H,34,38)(H,35,39)/t20-,21-,22-,24-/m0/s1",URYKGDZQHDRRQL-CDNNERCOSA-N,561.3638676
H2N-Leu-Pro-Phe-Phe-Asp-NH2,C33H44N6O7,CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)O)C(=O)N)N,"InChI=1S/C33H44N6O7/c1-20(2)16-23(34)33(46)39-15-9-14-27(39)32(45)38-26(18-22-12-7-4-8-13-22)31(44)37-25(17-21-10-5-3-6-11-21)30(43)36-24(29(35)42)19-28(40)41/h3-8,10-13,20,23-27H,9,14-19,34H2,1-2H3,(H2,35,42)(H,36,43)(H,37,44)(H,38,45)(H,40,41)/t23-,24-,25-,26-,27-/m0/s1",GYSSFSKRJMKTBB-IRGGMKSGSA-N,636.3271478
Cys-Leu-Pro-Phe-Phe-Asp,C36H48N6O9S,CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CS)N,"InChI=1S/C36H48N6O9S/c1-21(2)16-27(40-31(45)24(37)20-52)35(49)42-15-9-14-29(42)34(48)39-26(18-23-12-7-4-8-13-23)32(46)38-25(17-22-10-5-3-6-11-22)33(47)41-28(36(50)51)19-30(43)44/h3-8,10-13,21,24-29,52H,9,14-20,37H2,1-2H3,(H,38,46)(H,39,48)(H,40,45)(H,41,47)(H,43,44)(H,50,51)/t24-,25-,26-,27-,28-,29-/m0/s1",YAXJJVZYXIFYCH-AQRCPPRCSA-N,740.3203483
N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide,C17H20N4O2,CCN(CC)C1=CC(=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2)O,"InChI=1S/C17H20N4O2/c1-3-21(4-2)15-6-5-14(16(22)11-15)12-19-20-17(23)13-7-9-18-10-8-13/h5-12,22H,3-4H2,1-2H3,(H,20,23)/b19-12+",GWQPCBPAOAFXSJ-XDHOZWIPSA-N,312.1586259
7-Methyliminophenothiazin-3-amine,C13H11N3S,CN=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1,"InChI=1S/C13H11N3S/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11/h2-7H,14H2,1H3",QFYWEMZCVYRHJE-UHFFFAOYSA-N,241.0673685
Norrubrofusarin,C14H10O5,CC1=CC(=C2C(=CC3=CC(=O)C=C(C3=C2O)O)O1)O,"InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,16-18H,1H3",ZJCMSTGEFBOMJO-UHFFFAOYSA-N,258.0528234
"4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol",C18H18N2O2,COC1=C(C=CC(=C1)O)/C=C/2\CCCN=C2C3=CN=CC=C3,"InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/b14-10+",KXAAIPFSUGPVMQ-GXDHUFHOSA-N,294.1368278
Discorhabdin G,C18H14BrN3O2,C1C[C@@]2(C=CNC3=C2C4=NCCC5=C4C(=C3O)N=C5)C=C(C1=O)Br,"InChI=1S/C18H14BrN3O2/c19-10-7-18(3-1-11(10)23)4-6-21-16-13(18)14-12-9(2-5-20-14)8-22-15(12)17(16)24/h4,6-8,21,24H,1-3,5H2/t18-/m1/s1",FTEGWSQYDPWHRM-GOSISDBHSA-N,383.02694
"4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1-(2-chlorophenyl)-1,5-dihydro-6-((2R)-3,3,3-trifluoro-2-methylpropyl)-",C15H12ClF3N4O,C[C@H](CC1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=O)N1)C(F)(F)F,"InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1",FFPXPXOAFQCNBS-MRVPVSSYSA-N,356.0651732
Mimopezil,C23H23ClN2O3,C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N=CC4=C(C(=CC(=C4)Cl)OC)O)C=CC(=O)N3,"InChI=1S/C23H23ClN2O3/c1-4-17-14-7-13(2)11-23(17,18-5-6-21(27)26-19(18)9-14)25-12-15-8-16(24)10-20(29-3)22(15)28/h4-8,10,12,14,28H,9,11H2,1-3H3,(H,26,27)/b17-4+,25-12?/t14-,23+/m0/s1",UYRWZANUXPUEPQ-OWNLDCJBSA-N,410.1397203
"6-[(3s,4s)-4-Methyl-1-(Pyrimidin-2-Ylmethyl)pyrrolidin-3-Yl]-1-(Tetrahydro-2h-Pyran-4-Yl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One",C20H25N7O2,C[C@@H]1CN(C[C@H]1C2=NC3=C(C=NN3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5,"InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1",IWXUVYOOUMLUTQ-CZUORRHYSA-N,395.2069731
Thiamet-G,C9H16N2O4S,CCN=C1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,"InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1",PPAIMZHKIXDJRN-FMDGEEDCSA-N,248.0830782
"2'-Bromo-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),4,8,10,12(16)-hexaene-3,4'-cyclohex-2-ene]-1'-one",C18H14BrN3O2,C1CC2(C=CNC3=C2C4=NCCC5=C4C(=C3O)N=C5)C=C(C1=O)Br,"InChI=1S/C18H14BrN3O2/c19-10-7-18(3-1-11(10)23)4-6-21-16-13(18)14-12-9(2-5-20-14)8-22-15(12)17(16)24/h4,6-8,21,24H,1-3,5H2",FTEGWSQYDPWHRM-UHFFFAOYSA-N,383.02694
"4-[4-(Cyclopentyloxy)quinolin-2-yl]benzene-1,2-diol",C20H19NO3,C1CCC(C1)OC2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)O)O,"InChI=1S/C20H19NO3/c22-18-10-9-13(11-19(18)23)17-12-20(24-14-5-1-2-6-14)15-7-3-4-8-16(15)21-17/h3-4,7-12,14,22-23H,1-2,5-6H2",OMHNVUCFPJJLKD-UHFFFAOYSA-N,321.1364935
Firefly luciferin,C11H8N2O3S2,C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O,"InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1",BJGNCJDXODQBOB-SSDOTTSWSA-N,279.9976345
"3,5-Bis(4-hydroxy-3-methoxystyryl) pyrazole",C21H20N2O4,COC1=C(C=CC(=C1)C=CC2=CC(=NN2)C=CC3=CC(=C(C=C3)O)OC)O,"InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)",LKLASFRCXLTNMY-UHFFFAOYSA-N,364.1423071
"C.I. Direct Red 45, disodium salt",C24H17N3O7S3,CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4=C(C5=CC=CC=C5C(=C4)S(=O)(=O)O)O)S(=O)(=O)O,"InChI=1S/C24H17N3O7S3/c1-13-6-11-18-22(23(13)37(32,33)34)35-24(25-18)14-7-9-15(10-8-14)26-27-19-12-20(36(29,30)31)16-4-2-3-5-17(16)21(19)28/h2-12,28H,1H3,(H,29,30,31)(H,32,33,34)",NAXWWTPJXAIEJE-UHFFFAOYSA-N,555.0228634
"N-benzyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide",C27H24N2O2S,C1CCC2=C(C1)C(=C(S2)/N=C/C3=C(C=CC4=CC=CC=C43)O)C(=O)NCC5=CC=CC=C5,"InChI=1S/C27H24N2O2S/c30-23-15-14-19-10-4-5-11-20(19)22(23)17-29-27-25(21-12-6-7-13-24(21)32-27)26(31)28-16-18-8-2-1-3-9-18/h1-5,8-11,14-15,17,30H,6-7,12-13,16H2,(H,28,31)/b29-17+",CRTIXRJWHKMWCH-STBIYBPSSA-N,440.1558492
trans CM-414,C23H29N5O4,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)CC4CC(C4)C(=O)NO)OCC)C,"InChI=1S/C23H29N5O4/c1-4-6-17-19-20(28(3)26-17)23(30)25-21(24-19)16-12-13(7-8-18(16)32-5-2)9-14-10-15(11-14)22(29)27-31/h7-8,12,14-15,31H,4-6,9-11H2,1-3H3,(H,27,29)(H,24,25,30)",GTSZATFSVLYIRU-UHFFFAOYSA-N,439.2219544
"(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[(2-aminobenzoyl)amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-N-[2-(2,4-dinitroanilino)ethyl]pentanediamide",C59H83N21O15,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)C4=CC=CC=C4N,"InChI=1S/C59H83N21O15/c1-34(2)25-44(77-58(91)45(26-35-11-4-3-5-12-35)74-50(83)31-69-49(82)30-70-52(85)38-13-6-7-14-39(38)61)57(90)76-42(16-10-22-68-59(63)64)55(88)75-41(15-8-9-21-60)56(89)78-46(27-36-29-65-33-72-36)54(87)71-32-51(84)73-43(19-20-48(62)81)53(86)67-24-23-66-40-18-17-37(79(92)93)28-47(40)80(94)95/h3-7,11-14,17-18,28-29,33-34,41-46,66H,8-10,15-16,19-27,30-32,60-61H2,1-2H3,(H2,62,81)(H,65,72)(H,67,86)(H,69,82)(H,70,85)(H,71,87)(H,73,84)(H,74,83)(H,75,88)(H,76,90)(H,77,91)(H,78,89)(H4,63,64,68)/t41-,42-,43-,44-,45-,46-/m0/s1",NVESQGSNMIQICC-JSHGGYKJSA-N,1325.637751
"2-(3-Hydroxy-6-oxoxanthen-9-yl)-5-[[(1,10-phenanthrolin-5-ylamino)-sulfanylmethylidene]amino]benzoic acid",C33H20N4O5S,C1=CC2=CC(=C3C=CC=NC3=C2N=C1)NC(=NC4=CC(=C(C=C4)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O)C(=O)O)S,"InChI=1S/C33H20N4O5S/c38-19-6-9-23-27(15-19)42-28-16-20(39)7-10-24(28)29(23)21-8-5-18(14-25(21)32(40)41)36-33(43)37-26-13-17-3-1-11-34-30(17)31-22(26)4-2-12-35-31/h1-16,38H,(H,40,41)(H2,36,37,43)",MTXTYOWRZKHAHV-UHFFFAOYSA-N,584.1154409
"(1R,9R,13Z)-1-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one",C23H23ClN2O3,C/C=C\1/[C@@H]2CC3=C([C@]1(CC(=C2)C)N=CC4=C(C(=CC(=C4)Cl)OC)O)C=CC(=O)N3,"InChI=1S/C23H23ClN2O3/c1-4-17-14-7-13(2)11-23(17,18-5-6-21(27)26-19(18)9-14)25-12-15-8-16(24)10-20(29-3)22(15)28/h4-8,10,12,14,28H,9,11H2,1-3H3,(H,26,27)/b17-4-,25-12?/t14-,23+/m0/s1",UYRWZANUXPUEPQ-ZYNUCRBMSA-N,410.1397203
Azepinoindolone,C12H8N2O,C1=CC2=C3C(=CC(=O)N3)C=CC2=NC=C1,"InChI=1S/C12H8N2O/c15-11-7-8-4-5-10-9(12(8)14-11)3-1-2-6-13-10/h1-7H,(H,14,15)",ORSQLIPWNOIHJK-UHFFFAOYSA-N,196.0636629
Azoninoindole,C14H10N2,C\1=C\C=C\2/C(=CC=C3C2=NC=C3)N=C\C=C1,"InChI=1S/C14H10N2/c1-2-4-9-15-13-7-6-11-8-10-16-14(11)12(13)5-3-1/h1-10H/b2-1?,3-1-,4-2-,5-3?,9-4?,12-5+,15-9?,15-13?",GQGVNGJCVJWEAP-GIYHQLQDSA-N,206.0843983
"3,5-Bis(4-hydroxy-3-methoxystyryl)isoxazole",C21H19NO5,COC1=C(C=CC(=C1)C=CC2=CC(=NO2)C=CC3=CC(=C(C=C3)O)OC)O,"InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3",MRBBFOWSPXHYQT-UHFFFAOYSA-N,365.1263227
Dehydroprenylphenol,C11H12O,CC(=C/C=C/1\C=CC=CC1=O)C,"InChI=1S/C11H12O/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-8H,1-2H3/b10-8+",LQOSQISENLTDND-CSKARUKUSA-N,160.088815
Hydroxybenzoyl-pyridone,C12H9NO3,C1=CC=C(C=C1)C(=O)C2=C(C=CNC2=O)O,"InChI=1S/C12H9NO3/c14-9-6-7-13-12(16)10(9)11(15)8-4-2-1-3-5-8/h1-7H,(H2,13,14,16)",YAKUGZDIQCNCRN-UHFFFAOYSA-N,215.0582431
Cranad-28,C27H23BF2N4O2,[B-]1(OC(=C/C(=C/C=C/2\C=N[N+](=C2C)C3=CC=CC=C3)/O1)/C=C/C4=C(N(N=C4)C5=CC=CC=C5)C)(F)F,"InChI=1S/C27H23BF2N4O2/c1-20-22(18-31-33(20)24-9-5-3-6-10-24)13-15-26-17-27(36-28(29,30)35-26)16-14-23-19-32-34(21(23)2)25-11-7-4-8-12-25/h3-19H,1-2H3",DDFFGVTUEQJYQK-UHFFFAOYSA-N,484.1882125
Spiropiperidine 1,C24H34N4O3,CC1=CC(=CC=C1)N2CN(C(=O)C23CCN(CC3)C4CCN(CC4)C(=O)OC5CC5)C,"InChI=1S/C24H34N4O3/c1-18-4-3-5-20(16-18)28-17-25(2)22(29)24(28)10-14-26(15-11-24)19-8-12-27(13-9-19)23(30)31-21-6-7-21/h3-5,16,19,21H,6-15,17H2,1-2H3",ZZZVRFJGTJAHFM-UHFFFAOYSA-N,426.263091
"6-Fluoro-9-(2-(piperidin-1-yl)ethyl)-2,3,4,9-tetrahydro-1h-carbazole",C19H25FN2,C1CCN(CC1)CCN2C3=C(CCCC3)C4=C2C=CC(=C4)F,"InChI=1S/C19H25FN2/c20-15-8-9-19-17(14-15)16-6-2-3-7-18(16)22(19)13-12-21-10-4-1-5-11-21/h8-9,14H,1-7,10-13H2",ODORLMFVAVYSGE-UHFFFAOYSA-N,300.200177
Mcaad-3,C17H18N2O2,CN(C)C1=CC=C(C=C1)/C=C/C=C/C=C(/C#N)\C(=O)OC,"InChI=1S/C17H18N2O2/c1-19(2)16-11-9-14(10-12-16)7-5-4-6-8-15(13-18)17(20)21-3/h4-12H,1-3H3/b6-4+,7-5+,15-8-",VUICGFIMDGFKFH-FGHSSWIZSA-N,282.1368278
(2S)-2-[[1-(6-chloroquinolin-8-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]-3-cyclopropylpropanoic acid,C28H27ClF3N3O3,C1CC1C[C@@H](C(=O)O)NC(=O)C2(CCN(CC2)C3=C4C(=CC(=C3)Cl)C=CC=N4)C5=CC=C(C=C5)C(F)(F)F,"InChI=1S/C28H27ClF3N3O3/c29-21-15-18-2-1-11-33-24(18)23(16-21)35-12-9-27(10-13-35,19-5-7-20(8-6-19)28(30,31)32)26(38)34-22(25(36)37)14-17-3-4-17/h1-2,5-8,11,15-17,22H,3-4,9-10,12-14H2,(H,34,38)(H,36,37)/t22-/m0/s1",UXGSENVKFHJZRG-QFIPXVFZSA-N,545.1693039
"[(1R,3E,5R,7Z,9S,11S,13S,15R,17R,21R,23R,24S)-1,11,17-trihydroxy-21-[(1S)-1-hydroxyethyl]-7-(2-methoxy-2-oxoethylidene)-2,2,12,12-tetramethyl-19,26-dioxo-20,25,30,31,32-pentaoxapentacyclo[21.6.1.15,9.111,15.024,28]dotriaconta-3,27-dien-13-yl] 2,2-dimethylpropanoate",C41H60O15,C[C@@H]([C@H]1C[C@@H]2[C@@H]3C(=CC(=O)O3)C[C@@](O2)(C(/C=C/[C@H]4C/C(=C\C(=O)OC)/C[C@H](O4)C[C@]5(C([C@H](C[C@H](O5)C[C@H](CC(=O)O1)O)OC(=O)C(C)(C)C)(C)C)O)(C)C)O)O,"InChI=1S/C41H60O15/c1-22(42)29-19-30-35-24(15-33(45)54-35)20-40(48,56-30)38(5,6)11-10-26-12-23(14-32(44)50-9)13-28(51-26)21-41(49)39(7,8)31(53-36(47)37(2,3)4)18-27(55-41)16-25(43)17-34(46)52-29/h10-11,14-15,22,25-31,35,42-43,48-49H,12-13,16-21H2,1-9H3/b11-10+,23-14+/t22-,25+,26-,27+,28-,29+,30+,31-,35-,40+,41-/m0/s1",CYISYNAHSIYBII-YICCDBSDSA-N,792.3932212
"(1S,5S,6S,8S,13R,16S,17R)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol",C23H37NO5,CCN1C[C@]2(CC[C@@H]([C@@]34[C@@H]2CC(C31)[C@]5(C[C@@H]([C@H]6CC4C5C6O)OC)O)O)COC,"InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14?,15+,16-,17+,18?,19?,20?,21-,22+,23-/m1/s1",RBSZCNOWHDHRFZ-NKNRFIKZSA-N,407.2671733
"[(1S,2R,3R,4S,6S,8R,9R,10R,13S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate",C37H50N2O10,CCN1C[C@@]2(CCC([C@@]34[C@@H]2[C@@H]([C@]([C@@H]31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21?,22-,24+,25?,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1",XLTANAWLDBYGFU-XZGODCTJSA-N,682.3465458
Vlgklsqelhklqtyprtntgsnty,C127H205N37O40,CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC4=CNC=N4)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C,"InChI=1S/C127H205N37O40/c1-59(2)44-81(156-122(200)99(63(9)10)142-68(15)171)105(183)139-54-96(178)143-74(22-16-18-40-128)106(184)151-84(47-62(7)8)114(192)159-90(57-166)119(197)148-77(34-37-92(130)174)108(186)146-79(36-39-98(180)181)109(187)153-83(46-61(5)6)113(191)154-85(50-71-53-137-58-141-71)115(193)145-75(23-17-19-41-129)107(185)152-82(45-60(3)4)112(190)147-78(35-38-93(131)175)111(189)162-103(67(14)170)125(203)158-88(49-70-28-32-73(173)33-29-70)126(204)164-43-21-25-91(164)120(198)149-76(24-20-42-138-127(135)136)110(188)161-102(66(13)169)124(202)157-87(52-95(133)177)117(195)160-100(64(11)167)121(199)140-55-97(179)144-89(56-165)118(196)155-86(51-94(132)176)116(194)163-101(65(12)168)123(201)150-80(104(134)182)48-69-26-30-72(172)31-27-69/h26-33,53,58-67,74-91,99-103,165-170,172-173H,16-25,34-52,54-57,128-129H2,1-15H3,(H2,130,174)(H2,131,175)(H2,132,176)(H2,133,177)(H2,134,182)(H,137,141)(H,139,183)(H,140,199)(H,142,171)(H,143,178)(H,144,179)(H,145,193)(H,146,186)(H,147,190)(H,148,197)(H,149,198)(H,150,201)(H,151,184)(H,152,185)(H,153,187)(H,154,191)(H,155,196)(H,156,200)(H,157,202)(H,158,203)(H,159,192)(H,160,195)(H,161,188)(H,162,189)(H,163,194)(H,180,181)(H4,135,136,138)",ZLFXHYNEZYAYPG-UHFFFAOYSA-N,2889.517809
"2,2,2-Trifluoro-N-(1a,2,7,7a-tetrahydronaphtho[2,3-b]oxiren-3-yl)acetamide",C12H10F3NO2,C1[C@H]2[C@H](O2)CC3=C1C=CC=C3NC(=O)C(F)(F)F,"InChI=1S/C12H10F3NO2/c13-12(14,15)11(17)16-8-3-1-2-6-4-9-10(18-9)5-7(6)8/h1-3,9-10H,4-5H2,(H,16,17)/t9-,10+/m0/s1",BVDQZONDECLINZ-VHSXEESVSA-N,257.0663631
"[(2S,3R,4S,5R,6R)-5-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3-azido-5-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-phenylmethoxyoxan-2-yl]oxy-6-[(2-chloroacetyl)oxymethyl]-2-(4-methoxyphenoxy)-4-phenylmethoxyoxan-3-yl] benzoate",C59H56ClN3O16,CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC5=CC=C(C=C5)OC)COC(=O)CCl)N=[N+]=[N-])OCC6=CC=CC=C6)OC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79,"InChI=1S/C59H56ClN3O16/c1-36(64)69-34-47-51(79-59(67)73-33-46-44-24-14-12-22-42(44)43-23-13-15-25-45(43)46)53(71-31-37-16-6-3-7-17-37)50(62-63-61)57(75-47)78-52-48(35-70-49(65)30-60)76-58(74-41-28-26-40(68-2)27-29-41)55(77-56(66)39-20-10-5-11-21-39)54(52)72-32-38-18-8-4-9-19-38/h3-29,46-48,50-55,57-58H,30-35H2,1-2H3/t47-,48-,50-,51-,52-,53-,54+,55-,57-,58-/m1/s1",WTINRQDGLSQLHM-UHNQQXJVSA-N,1097.33491
"1-(3,4-Dimethylphenyl)-4-phenyl-5-(trifluoromethyl)triazole",C17H14F3N3,CC1=C(C=C(C=C1)N2C(=C(N=N2)C3=CC=CC=C3)C(F)(F)F)C,"InChI=1S/C17H14F3N3/c1-11-8-9-14(10-12(11)2)23-16(17(18,19)20)15(21-22-23)13-6-4-3-5-7-13/h3-10H,1-2H3",YRCWFWYBTKHOKB-UHFFFAOYSA-N,317.113982
"1-(3,4-Dimethylphenyl)-4-(3-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole",C18H16F3N3O,CC1=C(C=C(C=C1)N2C(=C(N=N2)C3=CC(=CC=C3)OC)C(F)(F)F)C,"InChI=1S/C18H16F3N3O/c1-11-7-8-14(9-12(11)2)24-17(18(19,20)21)16(22-23-24)13-5-4-6-15(10-13)25-3/h4-10H,1-3H3",HVQWKQBRZHNBKR-UHFFFAOYSA-N,347.1245466
"1-(3,4-Dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole",C18H16F3N3O,CC1=C(C=C(C=C1)N2C(=C(N=N2)C3=CC=C(C=C3)OC)C(F)(F)F)C,"InChI=1S/C18H16F3N3O/c1-11-4-7-14(10-12(11)2)24-17(18(19,20)21)16(22-23-24)13-5-8-15(25-3)9-6-13/h4-10H,1-3H3",VMIVYBVXFBIYSD-UHFFFAOYSA-N,347.1245466
"1-(2,4-Dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole",C18H16F3N3O,CC1=CC(=C(C=C1)N2C(=C(N=N2)C3=CC=C(C=C3)OC)C(F)(F)F)C,"InChI=1S/C18H16F3N3O/c1-11-4-9-15(12(2)10-11)24-17(18(19,20)21)16(22-23-24)13-5-7-14(25-3)8-6-13/h4-10H,1-3H3",SZZVULHKGOZIGD-UHFFFAOYSA-N,347.1245466
"1-[2,4-Bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole",C18H10F9N3O,COC1=CC=CC(=C1)C2=C(N(N=N2)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1S/C18H10F9N3O/c1-31-11-4-2-3-9(7-11)14-15(18(25,26)27)30(29-28-14)13-6-5-10(16(19,20)21)8-12(13)17(22,23)24/h2-8H,1H3",ZBOGBCGPOZMPFO-UHFFFAOYSA-N,455.0680154
"1-(3,4-Dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole",C19H18F3N3O4,COC1=C(C=C(C=C1)C2=C(N(N=N2)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)OC,"InChI=1S/C19H18F3N3O4/c1-26-13-7-5-11(9-15(13)28-3)17-18(19(20,21)22)25(24-23-17)12-6-8-14(27-2)16(10-12)29-4/h5-10H,1-4H3",SLFSGUUWPJVJIE-UHFFFAOYSA-N,409.1249406
"3-[4-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenol",C17H14F3N3O3,COC1=C(C=C(C=C1)C2=C(N(N=N2)C3=CC(=CC=C3)O)C(F)(F)F)OC,"InChI=1S/C17H14F3N3O3/c1-25-13-7-6-10(8-14(13)26-2)15-16(17(18,19)20)23(22-21-15)11-4-3-5-12(24)9-11/h3-9,24H,1-2H3",YZIYVVBVSOKTCX-UHFFFAOYSA-N,365.0987258
"(1S,4R,7S,8S)-1-benzyl-4-hydroxy-7-(2-methylpropyl)-9,10-dioxa-6-azatricyclo[5.2.1.04,8]decane-3,5-dione",C18H21NO5,CC(C)C[C@@]12[C@@H]3[C@@](C(=O)C[C@@](O3)(O1)CC4=CC=CC=C4)(C(=O)N2)O,"InChI=1S/C18H21NO5/c1-11(2)8-17-14-18(22,15(21)19-17)13(20)10-16(23-14,24-17)9-12-6-4-3-5-7-12/h3-7,11,14,22H,8-10H2,1-2H3,(H,19,21)/t14-,16+,17+,18+/m1/s1",FEPIGCHGRQCINI-UBDQQSCGSA-N,331.1419728
Terreusterpene D,C26H34O9,C[C@@]12CCC(=O)C([C@H]1C(=O)[C@]3([C@]4([C@H]2CC(=C)[C@@]([C@H]4C(=O)O3)(C)C(=O)[C@@](C)(C(=O)OC)O)C)O)(C)C,"InChI=1S/C26H34O9/c1-12-11-13-22(4)10-9-14(27)21(2,3)15(22)17(28)26(33)24(13,6)16(18(29)35-26)23(12,5)19(30)25(7,32)20(31)34-8/h13,15-16,32-33H,1,9-11H2,2-8H3/t13-,15+,16+,22-,23+,24-,25-,26-/m0/s1",BGPYFGNVTNOLOI-WWMIFYRDSA-N,490.2202827
"[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16R,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate",C37H50N2O10,CCN1C[C@@]2(CC[C@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22-,24+,25-,27-,28+,29-,30+,33?,34+,35-,36+,37-/m1/s1",XLTANAWLDBYGFU-CRLQZVSESA-N,682.3465458
"[(1S,4S,5R,6S,8R,9S,13S,16S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate",C37H50N2O10,CCN1C[C@@]2(CC[C@@H]([C@@]34C2C([C@@](C31)([C@]5(C[C@@H]([C@H]6CC4C5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C,"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22?,24+,25+,27?,28+,29?,30?,33?,34+,35-,36+,37-/m1/s1",XLTANAWLDBYGFU-OQXBGOKZSA-N,682.3465458
"(9S)-N-[(1S,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-9-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine",C25H28F3N7,CC1=CC(=NC=N1)N2C[C@H]3CC[C@@H](C2)C3NC4=NN5CCCC[C@H](C5=N4)C6=C(C(=C(C=C6)F)F)F,"InChI=1S/C25H28F3N7/c1-14-10-20(30-13-29-14)34-11-15-5-6-16(12-34)23(15)31-25-32-24-18(4-2-3-9-35(24)33-25)17-7-8-19(26)22(28)21(17)27/h7-8,10,13,15-16,18,23H,2-6,9,11-12H2,1H3,(H,31,33)/t15-,16+,18-,23?/m0/s1",XGTZKVXMDSWEOE-PLMYHDKJSA-N,483.2358284
Unk-DL-Gly(tBu)-Ala-NHEtNH2,C19H37N5O5,C[C@@H](C(=O)NCCN)NC(=O)C(C(C)(C)C)NC(=O)C(CC(C)C)CC(=O)NO,"InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13?,15?/m0/s1",LMIQCBIEAHJAMZ-OPFPJEHXSA-N,415.2794693
N-linoleyltyrosine,C27H43NO3,CCCCC/C=C\C/C=C\CCCCCCCCN[C@@H](CC1=CC=C(C=C1)O)C(=O)O,"InChI=1S/C27H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-26(27(30)31)23-24-18-20-25(29)21-19-24/h6-7,9-10,18-21,26,28-29H,2-5,8,11-17,22-23H2,1H3,(H,30,31)/b7-6-,10-9-/t26-/m0/s1",MJLCRLZGFKAYMZ-GSNKAXSMSA-N,429.3242942
Asn-Tyr-Asp,C17H22N4O8,C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)N)N)O,"InChI=1S/C17H22N4O8/c18-10(6-13(19)23)15(26)20-11(5-8-1-3-9(22)4-2-8)16(27)21-12(17(28)29)7-14(24)25/h1-4,10-12,22H,5-7,18H2,(H2,19,23)(H,20,26)(H,21,27)(H,24,25)(H,28,29)/t10-,11-,12-/m0/s1",SKQTXVZTCGSRJS-SRVKXCTJSA-N,410.1437637
Asp-Ala-Glu,C12H19N3O8,C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)N,"InChI=1S/C12H19N3O8/c1-5(14-11(21)6(13)4-9(18)19)10(20)15-7(12(22)23)2-3-8(16)17/h5-7H,2-4,13H2,1H3,(H,14,21)(H,15,20)(H,16,17)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1",XEDQMTWEYFBOIK-ACZMJKKPSA-N,333.1172146
Lys-Gly-Phe,C17H26N4O4,C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)N,"InChI=1S/C17H26N4O4/c18-9-5-4-8-13(19)16(23)20-11-15(22)21-14(17(24)25)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,18-19H2,(H,20,23)(H,21,22)(H,24,25)/t13-,14-/m0/s1",PBLLTSKBTAHDNA-KBPBESRZSA-N,350.1954053
Lys-Lys-Ser,C15H31N5O5,C(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)N,"InChI=1S/C15H31N5O5/c16-7-3-1-5-10(18)13(22)19-11(6-2-4-8-17)14(23)20-12(9-21)15(24)25/h10-12,21H,1-9,16-18H2,(H,19,22)(H,20,23)(H,24,25)/t10-,11-,12-/m0/s1",YDDDRTIPNTWGIG-SRVKXCTJSA-N,361.2325191
Lys-Ser-Pro,C14H26N4O5,C1C[C@@H](N(C1)C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N)C(=O)O,"InChI=1S/C14H26N4O5/c15-6-2-1-4-9(16)12(20)17-10(8-19)13(21)18-7-3-5-11(18)14(22)23/h9-11,19H,1-8,15-16H2,(H,17,20)(H,22,23)/t9-,10-,11+/m0/s1",WZVSHTFTCYOFPL-GARJFASQSA-N,330.1903199
MappiodoininB,C19H20O4,COC/C=C/C1=CC2=C(C=C1)O[C@H]([C@@H]2CO)C3=CC=C(C=C3)O,"InChI=1S/C19H20O4/c1-22-10-2-3-13-4-9-18-16(11-13)17(12-20)19(23-18)14-5-7-15(21)8-6-14/h2-9,11,17,19-21H,10,12H2,1H3/b3-2+/t17-,19+/m1/s1",HLOAIZKTYWIVDA-IEOKLDEVSA-N,312.1361591
6-((4-Fluorophenyl) selanyl)-9h-purine,C11H7FN4Se,C1=CC(=CC=C1F)[Se]C2=NC=NC3=C2NC=N3,"InChI=1S/C11H7FN4Se/c12-7-1-3-8(4-2-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H,13,14,15,16)",RHOSTBRUTGPBTG-UHFFFAOYSA-N,293.982
Isocalamenediol,C15H26O2,CC(C)C1CC[C@@](C2[C@]1(CC(=C)CC2)O)(C)O,"InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12?,13?,14-,15-/m1/s1",AHNGXHRYFGQWSL-NEXFUWMNSA-N,238.1932801
(+/-)-Isorhynchophylline,C22H28N2O4,CCC1CN2CC[C@@]3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/t14?,15?,19?,22-/m0/s1",DAXYUDFNWXHGBE-PYTKWAODSA-N,384.2049074
Teucdiol C,C15H26O2,CC(=C1CC[C@@]2(CCC[C@]([C@H]2C1)(C)O)C)CO,"InChI=1S/C15H26O2/c1-11(10-16)12-5-8-14(2)6-4-7-15(3,17)13(14)9-12/h13,16-17H,4-10H2,1-3H3/t13-,14-,15-/m0/s1",HXSBDAXZKKSVDR-KKUMJFAQSA-N,238.1932801
"6-(3-(5,5-difluoro-7-(4-methoxyphenyl)-1,3-dimethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-2-yl)propanamido)-N-((4S,7S,10S)-7,10-diisobutyl-2-methyl-4-((E)-2-(methylsulfonyl)vinyl)-6,9,12,19-tetraoxo-5,8,11,18-tetraazatetracosan-24-yl)hexanamide",C59H91BF2N8O9S,[B-]1(N2C(=CC=C2C3=CC=C(C=C3)OC)C=C4[N+]1=C(C(=C4C)CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)C)(F)F,"InChI=1S/C59H91BF2N8O9S/c1-40(2)36-46(31-35-80(10,77)78)66-58(75)51(38-42(5)6)68-59(76)50(37-41(3)4)67-57(74)22-16-13-19-33-64-55(72)20-14-11-17-32-63-54(71)21-15-12-18-34-65-56(73)30-28-49-43(7)53-39-47-25-29-52(45-23-26-48(79-9)27-24-45)70(47)60(61,62)69(53)44(49)8/h23-27,29,31,35,39-42,46,50-51H,11-22,28,30,32-34,36-38H2,1-10H3,(H,63,71)(H,64,72)(H,65,73)(H,66,75)(H,67,74)(H,68,76)/b35-31+/t46-,50+,51+/m1/s1",JNIDQOOVQFMCNR-FWDZYPIVSA-N,1136.669084
"3-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-YL)-propionicacid",C22H35NO2,C[C@H]1CCC[C@@H](N1C)/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@H]4C2[C@@H](OC4=O)C,"InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21?/m0/s1",FMPNFDSPHNUFOS-RHHLDLICSA-N,345.2667794
"3-[(3r,4r)-3-[(7-Chloro-9h-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile",C20H21ClN6O,C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C4=C(N3)C=C(C=C4)Cl)C(=O)CC#N,"InChI=1S/C20H21ClN6O/c1-12-6-8-27(17(28)5-7-22)10-16(12)26(2)20-18-14-4-3-13(21)9-15(14)25-19(18)23-11-24-20/h3-4,9,11-12,16H,5-6,8,10H2,1-2H3,(H,23,24,25)/t12-,16+/m1/s1",ULIMZUNTXDBDJT-WBMJQRKESA-N,396.146537
"Diethyl (3,4-dihydroxyphenethylamino)(quinolin-4-yl) methylphosphonate",C22H27N2O5P,CCCP(=O)(OCC)OC1=CC(=NC2=CC=CC=C21)NCCC3=CC(=C(C=C3)O)O,"InChI=1S/C22H27N2O5P/c1-3-13-30(27,28-4-2)29-21-15-22(24-18-8-6-5-7-17(18)21)23-12-11-16-9-10-19(25)20(26)14-16/h5-10,14-15,25-26H,3-4,11-13H2,1-2H3,(H,23,24)",CEAFUUAQFHWLJM-UHFFFAOYSA-N,430.165759
N-acryloyl-l-phenylalanyl-l-phenylalanine methyl ester,C22H24N2O4,COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C=C,"InChI=1S/C22H24N2O4/c1-3-20(25)23-18(14-16-10-6-4-7-11-16)21(26)24-19(22(27)28-2)15-17-12-8-5-9-13-17/h3-13,18-19H,1,14-15H2,2H3,(H,23,25)(H,24,26)/t18-,19-/m0/s1",MIAHDDZLHROZHF-OALUTQOASA-N,380.1736073
Talaramide A,C18H21NO5,CC(C)C[C@]12[C@@H]3[C@@](C(=O)C[C@@](O3)(O1)CC4=CC=CC=C4)(C(=O)N2)O,"InChI=1S/C18H21NO5/c1-11(2)8-17-14-18(22,15(21)19-17)13(20)10-16(23-14,24-17)9-12-6-4-3-5-7-12/h3-7,11,14,22H,8-10H2,1-2H3,(H,19,21)/t14-,16+,17-,18+/m1/s1",FEPIGCHGRQCINI-SPUZQDLCSA-N,331.1419728
"Indolo[7a,1-a]isoquinoline",C16H13N,C1C=C2C=CC=CC23N1C=CC4=CC=CC=C34,"InChI=1S/C16H13N/c1-2-7-15-13(5-1)8-11-17-12-9-14-6-3-4-10-16(14,15)17/h1-11H,12H2",OCUFDKJDLPAARH-UHFFFAOYSA-N,219.1047994
Flavone-8-acrylamide,C18H13NO3,C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)C=CC(=O)N,"InChI=1S/C18H13NO3/c19-17(21)10-9-13-7-4-8-14-15(20)11-16(22-18(13)14)12-5-2-1-3-6-12/h1-11H,(H2,19,21)",DGAMHZFIBXHMQE-UHFFFAOYSA-N,291.0895433
H-DL-Asp-DL-Leu-DL-Tyr-DL-Tyr-DL-Leu-DL-Met-DL-Asp-DL-Leu-DL-Ser-DL-Tyr-DL-Ser-DL-Met-DL-Lys-OH,C75H112N14O23S2,CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N,"InChI=1S/C75H112N14O23S2/c1-39(2)29-52(81-63(99)48(77)35-61(95)96)67(103)84-56(33-43-14-20-46(93)21-15-43)70(106)85-55(32-42-12-18-45(92)19-13-42)69(105)82-53(30-40(3)4)66(102)78-50(25-28-114-8)65(101)87-58(36-62(97)98)72(108)83-54(31-41(5)6)68(104)88-60(38-91)74(110)86-57(34-44-16-22-47(94)23-17-44)71(107)89-59(37-90)73(109)79-49(24-27-113-7)64(100)80-51(75(111)112)11-9-10-26-76/h12-23,39-41,48-60,90-94H,9-11,24-38,76-77H2,1-8H3,(H,78,102)(H,79,109)(H,80,100)(H,81,99)(H,82,105)(H,83,108)(H,84,103)(H,85,106)(H,86,110)(H,87,101)(H,88,104)(H,89,107)(H,95,96)(H,97,98)(H,111,112)",YNCISYYDXFNRBN-UHFFFAOYSA-N,1640.746618
"[6-[[(4R,6S)-9-(benzoyloxymethyl)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate",C30H32O12,C[C@]12C[C@H](C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)COC(=O)C6=CC=CC=C6)O)O)O)O,"InChI=1S/C30H32O12/c1-28-13-19(31)18-12-30(28,29(18,27(37)42-28)15-39-25(36)17-10-6-3-7-11-17)41-26-23(34)22(33)21(32)20(40-26)14-38-24(35)16-8-4-2-5-9-16/h2-11,18-23,26,31-34H,12-15H2,1H3/t18?,19-,20?,21?,22?,23?,26?,28+,29?,30?/m1/s1",ZHQGREQIJCCKHT-FQHSXWPLSA-N,584.1893765
Bis-thiomethylcyclohexanone,C7H12OS2,C1CCC(=O)C(C1)C(S)S,"InChI=1S/C7H12OS2/c8-6-4-2-1-3-5(6)7(9)10/h5,7,9-10H,1-4H2",ZLXKPAXLCZDPRF-UHFFFAOYSA-N,176.0329574
"[(2R,3S,4S,5R,6S)-6-[[(1S,3R,4R,6S,9S)-9-(benzoyloxymethyl)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate",C30H32O12,C[C@]12C[C@H]([C@@H]3C[C@@]1([C@@]3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC=CC=C6)O)O)O)O,"InChI=1S/C30H32O12/c1-28-13-19(31)18-12-30(28,29(18,27(37)42-28)15-39-25(36)17-10-6-3-7-11-17)41-26-23(34)22(33)21(32)20(40-26)14-38-24(35)16-8-4-2-5-9-16/h2-11,18-23,26,31-34H,12-15H2,1H3/t18-,19+,20+,21+,22-,23+,26-,28-,29-,30+/m0/s1",ZHQGREQIJCCKHT-JXBNAFTOSA-N,584.1893765