ATB | Existing Molecules

Selected Molecules (1-100 of 642,373)

Molid	Formula	Iupac	Common Name	Chembl Id	Clinical Phase	Atoms	Charge	Curation	Visibility
887666	C₄H₁₀BNO₄	-	-			20	0	ATB	Public
887645	C₃H₆N₆O₆	1,3,5-trinitro-1,3,5-triazinane ...	Cyclotrimethylenetrinitramine ...			21	0	ATB	Public
887641	C₇H₆N₂O₄	1-Methyl-2,4-dinitro ...	2,4-Dinitrotoluene	259865		19	0	ATB	Public
887630	C₇H₆N₂O₄	1-Methyl-2,4-dinitro ...	2,4-Dinitrotoluene	259865		19	0	ATB	Public
887409	C₂₁H₂₁NO₅S	(3S)-N-[(3R)-3-methy ...	-			49	0	ATB	Public
887192	C₄₇H₁₂₆O₆₄Si₁₈	-	-			255	0	ATB	Public
887144	H₂₀O₃₄Si₁₂	-	-			66	0	ATB	Public
886703	C₁₆H₄₆O₄Si₆	-	-			72	0	ATB	Public
886619	C₂₉H₃₀N₂O₂	-	-			63	0	ATB	Public
886597	C₂₈H₂₇NO₂S	-	-			59	0	ATB	Public
886577	C₁₈H₆₈O₄₆Si₁₈	-	-			150	0	ATB	Public
886560	C₃₁H₃₄N₂O₂	-	-			69	0	ATB	Public
885649	C₂₃H₂₃NO₂S	-	-			50	0	ATB	Public
885619	C₁₉H₃₂N₄O₄	-	-			59	0	ATB	Public
884536	C₄₁H₆₆N₈O₇	-	-			122	2	ATB	Public
884397	C₂₁H₃₆O₂	-	-			59	0	ATB	Public
884317	C₁₃₄H₂₃₈N₂₂O₂₁	-	-			415	0	ATB	Public
883123	C₁₅H₁₀ClNO₇S	-	-			35	0	ATB	Public
881425	C₁₇₆H₂₉₈N₄₈O₄₃S	-	-			566	9	Template	Public
881005	C₇H₅N₂O₄	N-hydroxy-3-nitrobenzamide ...	-			18	-1	ATB	Public
880865	C₁₈H₁₆O₈	(2S)-3-(3,4-dihydrox ...	(S)-(-)-Rosmarinicacid ...	3098862		42	0	ATB	Public
880588	C₂₉H₅₀O₂	(2R)-2,5,7,8-TETRAME ...	Tocopherol	47	4	81	0	ATB	Public
880560	C₃₉H₃₅NOS	-	-			77	0	ATB	Public
880090	C₅₈H₂₆O₂₇	-	-			111	0	ATB	Public
880089	C₅₈H₂₆O₂₇	-	-			111	0	ATB	Public
876881	C₁₀H₂Cl₆	1,2,4,5,6,8-Hexachloronaphthalene ...	-			18	0	ATB	Public
876880	C₁₀H₂Cl₆	1,2,4,5,6,8-Hexachloronaphthalene ...	-			18	0	ATB	Public
876878	C₁₀H₂Cl₆	1,2,4,5,6,8-Hexachloronaphthalene ...	-			18	0	ATB	Public
874952	C₂₀H₂₀O₈	methyl 3,5-dimethoxy ...	-			48	0	ATB	Public
874200	C₆H₁₂O₆	-	.alpha.-D-Glucopyranose ...	423707	4	24	0	ATB	Public
873805	C₁₆H₁₈NO₄	-	-			39	1	ATB	Public
873803	C₁₆H₁₈NO₄	-	-			39	1	ATB	Public
873623	C₄H₁₀O	Butan-1-ol	n-butanol	14245		15	0	ATB	Public
873366	C₂₅H₁₈F₆N₂O₄	-	-			55	0	ATB	Public
873281	C₁₇H₁₆BrNO₂	(E)-3-(3-bromo-4-met ...	-			37	0	ATB	Public
873277	C₁₈H₁₅BrN₂O₂	3-(3-bromo-4-hydroxy ...	-			38	0	ATB	Public
873267	C₁₆H₁₁NO₄	-	(4Z)-4-(3,4-Dihydrox ...	1492157		32	0	ATB	Public
873259	C₁₈H₁₉NO₄	(Z)-3-(4-hydroxy-3-m ...	(2Z)-3-(4-Hydroxy-3- ...			42	0	ATB	Public
873254	C₁₈H₁₉NO₄	3-(4-hydroxy-3-metho ...	-			42	0	ATB	Public
873248	C₁₇H₁₇NO₅	(E)-3-(3,4-dihydroxy ...	-			40	0	ATB	Public
873244	C₁₇H₁₇NO₄	(E)-3-(3,4-dihydroxy ...	-	206646		39	0	ATB	Public
873238	C₁₇H₁₇NO₃	(E)-3-(3,4-dihydroxyphenyl)-N-(2-phenylethyl)prop-2-enamide ...	-	67498		38	0	ATB	Public
873229	C₁₈H₁₆O₄	[(E)-3-phenylprop-2- ...	-	479634		38	0	ATB	Public
873218	C₁₈H₁₈O₄	-	-			40	0	ATB	Public
873159	C₁₇H₁₆O₄	2-phenylethyl (E)-3- ...	Caffeicacidphenethylester ...	319244		37	0	ATB	Public
872621	C₁₆H₁₄FN₃	-	-			34	0	ATB	Public
872262	C₁₃H₂₄N₄O₄	-	-			45	0	ATB	Public
872239	C₁₇H₁₆O₄	2-phenylethyl (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate ...	-	1397711		37	0	ATB	Public
872227	C₅₇H₈₇N₉O₄	-	-			157	0	ATB	Public
870894	C₁₇H₃₃O₁₉P₃	[(2R)-2-butanoyloxy- ...	-			72	0	ATB	Public
870872	C₂₂H₂₈ClN₅O₂	-	-			58	0	ATB	Public
870854	C₂₁H₂₀ClNO₅	2-(2-chlorophenyl)-5 ...	-	428690	3	48	0	ATB	Public
870801	C₂₂H₃₀ClN₅O₂	-	-			60	0	ATB	Public
870782	C₁₇H₃₃O₁₉P₃	[(2R)-2-butanoyloxy- ...	-			72	0	ATB	Public
870731	C₂₀H₂₀O₈	methyl 3,5-dimethoxy ...	-			48	0	ATB	Public
870544	C₅₆H₁₉₂O₉₆Si₄₈	-	-			392	0	ATB	Public
870533	C₁₁H₃₈O₁₆Si₈	-	-			73	0	ATB	Public
870528	C₂₅H₂₆O₅	2-(2,4-dihydroxyphen ...	-			56	0	ATB	Public
870527	C₃₄H₄₂O₁₀	-	-			86	0	ATB	Public
869640	C₃₄H₄₂O₁₀	-	-			86	0	ATB	Public
869639	C₂₅H₂₆O₅	2-(2,4-dihydroxyphen ...	-			56	0	ATB	Public
869599	C₁₉H₁₆O₇	-	-			42	0	ATB	Public
869533	C₂₆H₃₀O₆	-	-			62	0	ATB	Public
869360	C₂₁H₂₀O₁₁	2-(3,4-dihydroxyphen ...	-			52	0	ATB	Public
868654	C₆H₉NO₆	2-(bis(carboxymethyl)amino)acetic acid ...	nitrilotriaceticacid	1234848		22	0	ATB	Public
868549	C₆H₈O₇	2-hydroxypropane-1,2,3-tricarboxylic acid ...	Citricacid	1261		21	0	ATB	Public
868371	C₂₀H₂₀O₈	methyl 3,5-dimethoxy ...	-			48	0	ATB	Public
867564	C₁₈H₂₄O₂	(8R,9S,13S,14S,17S)- ...	.beta.-Estradiol	135	4	44	0	ATB	Public
867144	C₃₅H₅₀N₁₀O₁₆	2-[(2S,5R,8R,11S,14S ...	-			111	0	ATB	Public
867141	7C₉H₂₂N₃SC₉H₂₁N₃SAu	-	-			637	0	Template	Public
867121	C₄₈H₅₄N₃O₂	-	-			107	1	ATB	Public
867101	C₄₀H₃₈N₃O₂	-	-			83	1	ATB	Public
867091	C₄₀H₃₈N₃O₂	-	-			83	1	ATB	Public
866704	C₃₀₂H₆₀₈N₁₂₂O₆₀	-	-			1092	0	Template	Public
866689	C₂₀H₄₂O₇	-	-			69	0	ATB	Public
866629	C₂₀H₄₂O₇	-	-			69	0	ATB	Public
866575	C₁₉H₃₇NO₃	-	-			60	0	ATB	Public
866482	C₁₀H₁₅N₃O₆S	-	-			35	-2	ATB	Public
865791	C₂₆H₅₆N	-	1-[dodecyl(dimethyl)-λ⁴-azanyl]dodecane ...			83	1	ATB	Public
865790	C₂₆H₅₆N	-	1-[dodecyl(dimethyl)-λ⁴-azanyl]dodecane ...			83	1	ATB	Public
865785	C₁₈H₄₀N	-	-			59	1	ATB	Public
865051	C₂₀H₂₀O₈	methyl 3,5-dimethoxy ...	-			48	0	ATB	Public
862991	C₉₈H₁₁₂O₃₉S₂	-	-			251	0	ATB	Public
862986	C₇₁H₉₀O₃₅S	-	-			197	0	ATB	Public
862967	C₁₂₆H₈₆	-	-			212	0	ATB	Public
862843	C₇₈H₈₀N₆O₁₄	-	-			178	0	ATB	Public
862467	C₃₃H₃₈N₆O₆	-	-			83	0	ATB	Public
862462	H₂O₄SHO₄SO₄SH₂OZn	-	-			1554	0	Template	Public
862455	35C₈H₆O₄C₇H₆O₂H₂OHOOZr	-	-			743	0	Template	Public
862238	C₂HF₅	1,1,1,2,2-Pentafluoroethane ...	-			8	0	ATB	Public
862094	C₅H₄N₂O₄	2,6-dioxo-3H-pyrimidine-4-carboxylic acid ...	Oroticacid	1235017		15	0	ATB	Public
862061	C₁₇H₂₁N₄O₉P	-	Flavinmononucleotide	1201794		52	0	ATB	Public
861882	C₂₅H₂₃FN₂O₃	-	-			54	0	ATB	Public
860854	C₂₉H₃₈N₈O	-	-			76	0	ATB	Public
860750	C₂₄H₂₇N₃O	-	-			55	0	ATB	Public
860748	C₂₂H₁₈O₁₁	[(2R,3R)-5,7-dihydro ...	(−)-Epigallocatechingallate ...	297453		51	0	ATB	Public
860720	C₂₁H₂₀O₆	(1E,6E)-1,7-bis(4-hy ...	Curcumin	140	4	47	0	ATB	Public
860707	C₂₄H₂₇N₃O	-	-			55	0	ATB	Public
860703	C₂₂H₁₈O₁₁	[(2R,3R)-5,7-dihydro ...	(−)-Epigallocatechingallate ...	297453		51	0	ATB	Public
860697	C₂₁H₂₀O₆	(1E,6E)-1,7-bis(4-hy ...	Curcumin	140	4	47	0	ATB	Public