Compound List

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Compound	Smiles	Mol
C500213	CC(C)(C)OC(=O)Nc1cc(F)c(I)c(F)c1
C500214	O=C(O)Cn1ncc2c1C(NC(=O)OCC1c3ccccc3-c3ccccc31)CCC2
C500216	C#CC1(NC)CCCC1
C500222	CC(C)(C)OC(=O)Cn1c(S)nc2ccccc2c1=O
C500224	CC(C)(C)OC(=O)N1CCOC(CO)(C(=O)O)C1
C500227	c1cc2ccc3ccc(c1)n23
C500228	CC(C)(C)OC(=O)N1CCCC(c2cc(Cl)nc(Cl)n2)C1
C500230	O=S(c1ccc(Br)cc1)C1CCNC1
C500231	Cc1cc(C)c(I)cn1
C500232	COc1cc(C)ccc1OC(=O)c1ccccc1
C500233	CC(C)(C)OC(=O)NCCC1CC(CN)C1
C500235	CC(C)(C)OC(=O)N1CC2(C1)CC1(CC=CCN1)C2
C500236	COC(=O)C1CNCC1c1ccn(C2CCCCO2)n1
C500237	CN(CC#CC#CC(C)(C)C)c1cccc2c1OCC(=O)N2
C500238	CC(C)(C)OC(=O)N1CC(C2CCC2=O)C1
C500241	ClCCc1c(Cl)ncnc1Cl
C500242	Brc1ccc2nc(-c3ccccc3)oc2c1
C500243	CC1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC(C)O1
C500244	C=CCC(C(=C)c1cc(F)c(F)c(F)c1)C(=O)OCC
C500245	O=S(=O)(Cl)CC1(CF)CCOCC1
C500246	C[Si](C)(C)c1ccnc(F)c1F
C500247	CCOC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1N
C500249	N#CC1(c2cccc(Br)c2)CCNCC1
C500250	CC(C)(C)OC(=O)n1ccc2ncc(C(F)(F)F)cc21
C500251	CC(C)(C)[Si](C)(C)C#CC=O
C500252	O=Cc1n[nH]c2cccc(F)c12
C500256	CC1(C)OB(c2cc(C#N)ccc2C(F)(F)F)OC1(C)C
C500257	BrCc1cnsc1
C500258	COC1(OC)CC(CN)(CO)C1
C500261	Sc1ccc(-n2cnc(-c3ccccc3)c2)nn1
C500264	CCOc1ccc(Br)cc1CCC(=O)O
C500265	CC1(C)OB(c2cccc(-c3nncs3)c2)OC1(C)C
C500266	CC(C)(C)OC(=O)N1CCC(N2CCC(=O)CC2)C1
C500267	O=C(Oc1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21
C500268	OC1COCC2(CCNC2)OC1
C500273	Cc1cccc(Cl)c1NC(=O)CCl
C500276	COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1
C500277	C#CCN1CCC(c2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CC1
C500280	NNC(=O)c1ccc(I)cc1
C500281	COC(=O)C1CC=CCN1C(=O)OC(C)(C)C
C500284	CC(=O)NC1=CC(=O)OC1
C500285	Nc1c(Br)cnnc1C(F)(F)F
C500286	CCOC(=O)C=C(C)c1ccccc1F
C500287	CC(C)(C)OC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)cn1
C500289	NC1CC(Cn2cc(C(=O)O)nn2)C1
C500291	CC1(C)CC(C(N)=O)C(C)(C)N1O
C500293	COc1nc2[nH]c(C(=O)O)cc2cc1Br
C500295	COc1ccc(C2=CC(C(=O)O)C2)cc1
C500296	NC1CC2(CO)CC12
C500297	Cc1ccc(C(=O)N2CCCCC2C(=O)O)cc1
C500299	CN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(F)c1
C500301	CCOC(=O)Cn1cnc2sc(C)c(C)c2c1=O
C500304	C1Cc2nnc(C3CNC3)n2C1
C500305	Cc1nn(C)cc1C(N)=NO
C500306	NC(=O)C(N)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
C500308	COCC1C(=O)NC12CCC2
C500309	COC(=O)C1(c2cccc(C)c2)CC(N)C1
C500310	CC(C)(C)OC(=O)NC1CCC(=O)N(CC(=O)O)C1
C500311	COC(=O)c1cc2c(-c3ccccc3)[nH]n(-c3ccccc3)c-2n1
C500314	C#CCOc1cnncc1Br
C500317	c1ccc(CNCC2CC2)nc1
C500320	COc1ccc(C2SCCS2)cc1
C500324	O=Cc1c[nH]c2ccc(C(=O)O)nc12
C500326	COCC1(C#N)CC(Br)C1
C500327	Clc1scc(-c2ccnc(N3CCOCC3)n2)c1Cl
C500336	CC(C)(C)OC(=O)N1CCC(c2ccc(CN)cc2)CC1
C500338	CC(O)C(=O)c1cccs1
C500341	c1ncn2nccc2n1
C500342	NC(=O)c1ccc(-c2ccc(N3CCCC3)cc2)o1
C500343	O=C(O)Cn1cc(C=Nn2c(=O)[nH][nH]c2=O)c2ccccc21
C500344	O=C([O-])COc1ccc(C(=O)c2ccccc2Cl)cc1
C500348	CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)c(F)c2)CC1
C500349	Cc1ccncc1-n1ccc(N)n1
C500350	Cc1c(C=O)[nH]c(C(=O)O)c1C
C500353	CCC(C(=O)O)c1ccccc1F
C500354	CC(C)CCCNC(=O)C1CC(C)Nc2ccccc21
C500358	O=C(CSc1ccccc1C(=O)Nc1ccc(-n2ccnc2)cc1)NCC1CCCCC1
C500360	CC(N)C1CCN(C(=O)C2(Oc3ccc(F)cc3)CC2)CC1
C500361	COc1ccc2c(OC)ccc(CN)c2c1
C500362	O=C1CC(Cc2ccccc2)CC(=O)N1
C500365	O=C(O)C1CCC2CNCC21
C500367	CC(C)(C)OC(=O)C(C)(O)CN
C500372	CCSC(SCC)=C(C#N)C#N
C500375	CCOC(=O)C(C)(OC)C(=O)Nc1cc(Cl)cc(Cl)c1
C500379	COC(=O)C1CCC2(CCNCC2)O1
C500381	Cc1noc(CN2CCC=C(F)C2)n1
C500382	O=c1oc2c(-c3cc(Cl)cc(Cl)c3)cc(O)cc2s1
C500383	C#CC1(N)CC(F)C1
C500385	Cc1nn(CC(=O)Nc2ccc(Br)cc2)c(C)c1C=O
C500386	CNc1cnc(C)cn1
C500389	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
C500392	Cc1cc(Br)cc(O)n1
C500393	Cc1cc(C)c(C(=O)CC2(C)CC(C)(C)C2)cc1C
C500395	NC(C(=O)O)C1CCCC12CC2
C500396	Fc1nccc(Br)c1C(F)(F)F
C500397	[N-]=[N+]=NCc1c(F)cc(Cl)cc1Cl
C500400	CC1(CN=[N+]=[N-])COC(C)(C)C1
C500401	OB(O)c1cnc2ccnn2c1
C500402	CCn1c(C2OCCC2c2ccccc2)n[nH]c1=O
C500403	O=C(O)COCCN1CC2CCC(C2)C1