Compound List

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Compound	Smiles	Mol
C501203	C=CN(C=O)CC(=C)c1cccc(OC(F)(F)F)c1
C501204	O=C(O)c1ccc(C#Cc2cccc(F)c2)cc1
C501208	O=C1c2ccccc2C(=O)N1CCc1ncco1
C501209	OCC1CC2(CNC2)C1
C501210	O=C([O-])c1sc(Br)nc1C(F)(F)F
C501211	CC(C)(C)OC(=O)N1CCc2c(noc2N)C1
C501212	CC(C)(O)Cn1cc(I)cn1
C501213	Nn1cnc2scc(-c3ccccc3)c2c1=O
C501214	CC(F)(F)C1(C(=O)O)CCNC1
C501215	O=C(CO)CCC1CC1(F)F
C501218	O=C(O)c1cc2c([nH]c1=O)CCN(Cc1ccccc1)C2
C501220	C=C1CCNC2(CC2)C1
C501222	COC(=O)c1c(N)nc2n1CCNC2
C501229	CN1CCCC(C2COCCN2)C1
C501230	CC(C)c1nocc1N
C501231	N#Cc1cccc(S(F)(F)(F)(F)F)c1
C501232	NC(=S)Nc1ccc(C(=O)O)c(O)c1
C501235	C=CC(=O)N1CCCc2c1cnn2-c1ccccc1
C501236	COc1ccc(S(=O)(=O)N2CC3CCC(CC3)C2)cc1NS(=O)(=O)c1ccccc1
C501237	Cc1ccc(-n2cccc2C=O)c([N+](=O)[O-])c1
C501239	CC(=O)c1nc2ccccn2c1Br
C501241	O=S(=O)(F)CCc1cnc(C(F)(F)F)cn1
C501242	O=C1Nc2cccc(Br)c2OC12CC2
C501243	COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3
C501245	FC(F)(F)c1ncc2c(n1)C1CCC2N1
C501246	O=C(NC(=O)c1ccccc1Cl)Nc1nc2ccc(S(=O)(=O)C3CNC3)cc2s1
C501251	C=CC(=O)N1Cc2cccc(C(=O)O)c2C1
C501254	COC1C(Br)CCC(C(=O)O)N1C(=O)OC(C)(C)C
C501255	COc1ccc(Cl)cc1C(=O)NCC(C)C
C501256	COC(=O)NS(=O)(=O)c1ccccc1
C501258	CCCCCCc1ccc(CCCCC(=O)O)cc1
C501260	CCOC(=O)c1[nH]c(C=O)c(Br)c1C
C501262	CCSC(C)c1noc(CCl)n1
C501264	CC(C)(C)OC(=O)N1CCN(c2nc(C(=O)O)co2)CC1
C501265	COc1ccc(Cl)c(Br)c1C(=O)O
C501266	O=c1c2sccc2ncn1CCBr
C501269	CC(CC(=O)O)C(N)C(=O)O
C501271	COC(=O)c1cncn1C(F)(F)F
C501273	Cc1cc(C)c2sc(C)nc2c1
C501275	COc1cccc(C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1
C501276	COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OC
C501278	COC(=O)CCN1CCCNCC1
C501282	COC(=O)c1ccc(CO)c(Cl)c1
C501285	CC(C)c1ccc(-c2n[nH]cc2C=O)cc1
C501286	Nc1c(C(=O)O)ccnc1O
C501287	CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1
C501289	O=C(NC1CCOCC1)c1ccc(-c2ccccc2)o1
C501290	CNc1cc(OS(=O)(=O)F)ccc1F
C501294	Cc1ncsc1CNC1CC1
C501297	O=C([O-])c1cccc(C2CCO2)c1
C501298	CCOc1ccc(NC(=O)OC(C)(C)C)c(C(=O)O)c1F
C501302	Cc1noc(C(C)C(=O)[O-])n1
C501306	CCN(CC)S(=O)(=O)c1cc(N)ccc1OC(C)C
C501307	O=C(O)CCOc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
C501308	Cc1c(CCl)nn2c1OCCC2
C501310	[N-]=[N+]=Nc1ccc(Cl)c(C(F)(F)F)c1
C501313	O=C(O)C1CC(O)CCO1
C501316	CC(C)Nc1ncccc1C(=O)N(C)C
C501317	CC(=O)c1ccc(I)c(O)c1
C501321	CC(C)(C)OC(=O)NCCCOC(F)(F)CBr
C501322	CC(C)(C)OC(=O)N1CC2CCC1CN2c1ncc(C(=O)O)cn1
C501326	CC(C)(F)C1(NC(=O)c2ccccc2)COC1
C501330	C[Si](C)(C)CCS(=O)(=O)NCCN(CCNS(=O)(=O)CC[Si](C)(C)C)S(=O)(=O)CC[Si](C)(C)C
C501332	CC(C(=O)O)C1OCCc2ccccc21
C501333	O=Cc1ccc2ncc(O)cc2c1
C501338	CCN(CC)c1ccc(NCc2cccs2)cc1
C501342	O=C(O)c1cc2c(Cl)ccc(F)c2s1
C501344	CCN1C(=C2C=NN(C)C2=N)Nc2ccccc21
C501345	Cc1cc([N+](=O)[O-])c(C#N)cc1F
C501346	Cc1cc(Cl)cc(Cl)c1N=[N+]=[N-]
C501348	CS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
C501350	CC1(CBr)COCOC1
C501353	O=CC(c1ccc(F)cc1)C(F)(F)F
C501354	COC(=O)c1cc(S(N)(=O)=O)oc1Cl
C501359	O=[N+]([O-])c1nn(Cc2ccc(Cl)cc2)cc1Br
C501361	O=C(c1ccc(F)cc1)N1CCSC1=S
C501362	CC(C)(C)OC(=O)N1CC(C)(N2CCC(F)(F)C2)C1
C501363	CCC(C)C(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)C1(C)CO1)C(C)O)C(C)CC
C501364	CCOC(OCC)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1
C501366	CCCCNCc1cccc(C(F)(F)F)c1
C501368	NC(=S)COC(=O)c1ccccc1
C501370	COCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1
C501373	O=C1CCCC(O)=C1C(=O)Nc1ccccc1
C501374	O=C(O)C1CN(C(=O)CCC(F)(F)F)CCO1
C501375	COc1ccc(C2NS(=O)(=O)N=C(C)C2C(=O)N(C)C)cc1
C501379	Cc1cc(Cl)c2cccc(S(=O)(=O)F)c2n1
C501382	CC(C)(C)OC(=O)N1CC(C)(C(O)CCl)C1
C501383	O=C(O)C12CC3CC(C1)C(C3)C2=O
C501388	C1CNC(C2CCOC2)CN1
C501391	Nc1ccc(Br)c2c1OCO2
C501392	COCCN(CC(N)=O)C(=O)OC(C)(C)C
C501395	CCc1nc(N2C(=O)C=C(C)C2=O)sc1C
C501396	Nc1c(Cl)nnc(Cl)c1C(F)F
C501398	O=C(O)C1CC1CN1C(=O)C=CC1=O
C501400	N#Cc1c(-c2ccc(O)c(O)c2)cc(-c2ccc(F)cc2)nc1N
C501401	CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO)O2
C501406	CC(C)(C)OC(=O)NC(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O
C501408	C#CCNC(=O)C1CCC(N)CC1
C501410	COC(=O)c1cc(Cl)ccc1CCl
C501411	O=c1cc(O)c2sc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)c3c2[nH]1