BrCC(Br)C1CCC(Br)C(Br)C1	CHEMBL375107	C1CCCCC1
CCCCN(C)c1cc(C(F)(F)F)c(C#N)cn1	CHEMBL249071	c1ccncc1
CC[C@@]13CC[C@](O)(C#CC)C[C@H]1CCc2cc(O)ccc23	CHEMBL10560	C1CCC2C(C1)CCc3ccccc23
O=C3[C@H]2C1CC(C=C1)[C@H]2C(=O)N3c5ccc4cccnc4c5	CHEMBL181722	O=C3C2C1CC(C=C1)C2C(=O)N3c5ccc4cccnc4c5
CC(=O)O[C@]4(C(C)=O)CCC3C2CC(=C)C1=CC(=O)CCC1(C)C2CCC34C	CHEMBL307176	C=C4CC2C1CCCC1CCC2C3CCC(=O)C=C34
C[C@H]3Nc2cc1n(C)c(=O)cc(C(F)(F)F)c1cc2C3(C)C	CHEMBL351519	O=c3ccc2cc1CCNc1cc2[nH]3
C[C@]12CCC(=O)CC1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@@H](O)CC[C@@H]34	CHEMBL422045	O=C4CCC2C(CCC3C1CCCC1CCC23)C4
C[C@]2(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)NNC(C(F)(F)F)=C2	CHEMBL242469	O=C(Nc1ccccc1)C2NNC=C2
Cc3cc(=O)[nH]c4ccc2c(COc1cccc(CO)c12)c34	CHEMBL257151	O=c4ccc3c2COc1ccccc1c2ccc3[nH]4
O[C@@H]1C[C@H]3C[C@@H]1[C@@H]4CC(=C2CCC(=O)CC2)C[C@H]34	CHEMBL141244	O=C4CCC(=C3CC2C1CCC(C1)C2C3)CC4
C[C@]34CC[C@H]1[C@@H](CCC2=CC(=C)CC[C@]12C)[C@@H]3CC[C@@H]4O	CHEMBL249700	C=C4CCC3C2CCC1CCCC1C2CCC3=C4
FC(F)(F)C3=CC(=O)NC2C=C(NC1CCC1)C=CC23	CHEMBL243995	O=C3NC2C=C(NC1CCC1)C=CC2C=C3
FC(F)(F)C3=CC(=O)NC2C=C(NC1CCC1)C=CC23	CHEMBL243995	O=C3NC2C=C(NC1CCC1)C=CC2C=C3
CC12CCC(C)(O1)[C@@H]5[C@H]2C(=O)N(c3c(N)ccc4nccn34)C5=O	CHEMBL271261	O=C3C2C1CCC(O1)C2C(=O)N3c4cccc5nccn45
CC12CCC(C)(O1)[C@@H]5[C@H]2C(=O)N(c3c(N)ccc4nccn34)C5=O	CHEMBL271261	O=C3C2C1CCC(O1)C2C(=O)N3c4cccc5nccn45
O=N(=O)c2ccc(N1CCCC1)c3ccccc23	CHEMBL570897	C3CCN(c1cccc2ccccc12)C3
FC(F)(F)c2cc(SCC1CC1)ccc2C#N	CHEMBL453623	C1CC1CSc2ccccc2
CC3(C)NC2=CC1NC(=O)C=C(C(F)(F)F)C1C=C2C=C3	CHEMBL397729	O=C3NC2C=C1NCC=CC1=CC2C=C3
CC3(C)NC2=CC1NC(=O)C=C(C(F)(F)F)C1C=C2C=C3	CHEMBL397729	O=C3NC2C=C1NCC=CC1=CC2C=C3
Cc1c(Cl)c(C#N)ccc1N3C[C@@H]2[C@H](O)CC[C@@H]2C3=O	CHEMBL389077	O=C2C1CCCC1CN2c3ccccc3
C[C@]4(O)CC[C@H]3[C@@H]2CCC1=CC(=O)CCC1=C2C=C[C@@]34C	CHEMBL166444	O=C4CCC3=C2C=CC1CCCC1C2CCC3=C4
C[C@]12CC[C@H](O)CC1=CCC3C2CC[C@@]4(C)C3CC=C4c5cnccn5	CHEMBL74606	C5CCC4=CCC1C(CCC2C1CC=C2c3cnccn3)C4C5
C[C@](O)(CBr)C(=O)Nc1ccc(N(=O)=O)c(C(F)(F)F)c1	CHEMBL296323	c1ccccc1
O[C@](C=C)(c2nc1cc(Cl)c(Cl)cc1[nH]2)C(F)(F)F	CHEMBL467790	c2ccc1[nH]cnc1c2
CC(=O)[C@H]4CC[C@H]3[C@@H]2CCC1=CC(=O)C=C[C@]1(C)[C@H]2CC[C@@]34C	CHEMBL103	O=C4C=CC3C2CCC1CCCC1C2CCC3=C4
Cc1c(NS(C)(=O)=O)cccc1N(Cc2ccccc2)Cc3ccccc3	CHEMBL419633	C(N(Cc1ccccc1)c2ccccc2)c3ccccc3
COc4ccc2c(CCC1=CC(=O)CC[C@@]12Cc3ccccc3)c4	CHEMBL82307	O=C2CCC4(Cc1ccccc1)C(=C2)CCc3ccccc34
CC2CC(C)(C)Nc3ccc(c1sc(C#N)cc1C)cc23	CHEMBL134260	C3CNc2ccc(c1cccs1)cc2C3
CC4=CC(C)(C)Nc5ccc3c1cc(F)ccc1o\c(=C/c2ccco2)c3c45	CHEMBL336169	C5Nc4ccc3c1ccccc1oc(=Cc2ccco2)c3c4C=C5
Cn3c2c1ccccc1CCc2c4ccc(O)cc34	CHEMBL207706	C3Cc1c([nH]c2ccccc12)c4ccccc34
CN3C(=O)CCC4(C)C2CCC1(C)C(O)CCC1C2CC=C34	CHEMBL307910	O=C4CCC3C2CCC1CCCC1C2CC=C3N4
CC#C[C@]5(O)CC[C@H]4[C@@H]2CCC1=CC(=O)CCC1=C2[C@@H](c3ccc(N(C)C)cc3)C[C@]45C	CHEMBL1201025	O=C2CCC1=C4C(CCC1=C2)C3CCCC3CC4c5ccccc5
FC(F)(F)c3cc(=O)[nH]c4cc2OCC1CCCCN1c2cc34	CHEMBL226609	O=c4ccc3cc2N1CCCCC1COc2cc3[nH]4
FC(F)(F)c5ccc4sc1ccccc1n(CC(=O)c2cccc3ccccc23)c4c5	CHEMBL263660	O=C(Cn2c1ccccc1sc3ccccc23)c4cccc5ccccc45
O=C4[C@H]3[C@@H]1C[C@@H](CN1C(=O)c2ccccc2)N3C(=O)N4c5ccc(N(=O)=O)cc5	CHEMBL365650	O=C4C3C1CC(CN1C(=O)c2ccccc2)N3C(=O)N4c5ccccc5
CC#C[C@]5(O)CCC4C3CCC1=CC(=O)CC[C@]1(Cc2ccc(C)cc2)C3=CC[C@@]45C	CHEMBL78704	O=C2CCC5(Cc1ccccc1)C(=C2)CCC4C3CCCC3CC=C45
CC3CC(C)(C)Nc4c(C)cc(c1cc(F)c(F)c2cc[nH]c12)c(Cl)c34	CHEMBL429842	C4CNc3ccc(c1cccc2cc[nH]c12)cc3C4
CC4=CC(C)(C)Nc5ccc3c1ccccc1OC(c2cccc(Cl)c2)c3c45	CHEMBL320690	C5Nc4ccc3c1ccccc1OC(c2ccccc2)c3c4C=C5
CCN(CC)c2ccc(\C=c1\c(C)noc1=O)cc2	CHEMBL480982	O=c1oncc1=Cc2ccccc2
FC(F)(F)c3cc(=O)[nH]c4ccc2c(OCc1ccccc12)c34	CHEMBL450334	O=c4ccc3c2OCc1ccccc1c2ccc3[nH]4
Cc4cc(C)cc(N(CC1CCCCC1)c3cc(C(=O)N2CCCC2)n(C)c3)c4	CHEMBL519450	O=C(N1CCCC1)c4cc(N(CC2CCCCC2)c3ccccc3)c[nH]4
CN5[C@@H]4CC[C@H]2[C@@H](CC[C@@]3(C)[C@H](O)C(=C/c1ccncc1)/C[C@@H]23)[C@]4(C)C=CC5=O	CHEMBL556848	O=C5NC4CCC3C(CCC2CC(=Cc1ccncc1)CC23)C4C=C5
C[C@H]3Nc2cc1[nH]c(=O)cc(C(F)(F)F)c1cc2[C@H]3C	CHEMBL162569	O=c3ccc2cc1CCNc1cc2[nH]3
C[C@]5(O)CC[C@H]4[C@@H]3[C@H](CCCc1ccc(OCCC(O)=O)cc1)CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]45C	CHEMBL235661	O=C5CCC4C2CCC1CCCC1C2C(CCCc3ccccc3)CC4=C5
CCC2CCNc3cc1[nH]c(=O)cc(C(F)(F)F)c1cc23	CHEMBL390728	O=c3ccc2cc1CCCNc1cc2[nH]3
CC3(C)OC(=O)Nc2ccc(c1csc(C#N)c1)cc23	CHEMBL139749	O=C3Nc2ccc(c1ccsc1)cc2CO3
CC2=CC(C)(C)Nc3ccc(c1cc(F)cc(C#N)c1)cc23	CHEMBL117465	C3Nc2ccc(c1ccccc1)cc2C=C3
FC(F)(F)c4cccc(N3C(=O)[C@H]2C1CCC(C1)[C@H]2C3=O)c4	CHEMBL367364	O=C3C2C1CCC(C1)C2C(=O)N3c4ccccc4
CON1C[C@]2(C)O[C@](C)(C1)[C@@H]4[C@H]2C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C4=O	CHEMBL1210910	O=C3C2C1CNCC(O1)C2C(=O)N3c4ccccc4
CC2=CC(C)(C)Nc3ccc(c1csc(C#N)c1)cc23	CHEMBL335992	C3Nc2ccc(c1ccsc1)cc2C=C3
CC(O)(CSc1ccc(Cl)c(Cl)c1)c3cc2cc(Cl)c(C(F)(F)F)cc2[nH]3	CHEMBL218400	C(Cc2cc1ccccc1[nH]2)Sc3ccccc3
C[C@]34CC[C@H]1[C@@H](CCC2=CC(=O)CC[C@]12C)[C@@H]3CCC4=O	CHEMBL274826	O=C4CCC3C2CCC1C(CCC1=O)C2CCC3=C4
Oc3cccc4c(=O)oc2c(ccc1[nH]c(=O)cc(C(F)(F)F)c12)c34	CHEMBL257751	O=c4ccc2c(ccc3c1ccccc1c(=O)oc23)[nH]4
Oc3cccc4c(=O)oc2c(ccc1[nH]c(=O)cc(C(F)(F)F)c12)c34	CHEMBL257751	O=c4ccc2c(ccc3c1ccccc1c(=O)oc23)[nH]4
Oc2cc(c1ccccc1)oc3cccc(=O)c23	CHEMBL16807	O=c2cccc3oc(c1ccccc1)ccc23
Oc2cc(c1ccccc1)oc3cccc(=O)c23	CHEMBL16807	O=c2cccc3oc(c1ccccc1)ccc23
C[C@]34CC[C@H]1[C@@H](CCc2cc(O)ccc12)[C@@H]3CC[C@@H]4O	CHEMBL135	C4CC3CCC1C(CCc2ccccc12)C3C4
FC(F)(F)c2cc(SC1CCC1)ccc2C#N	CHEMBL449371	C2CC(Sc1ccccc1)C2
CN4C(=O)CCC5(C)C3CCC1C(CC[C@@]12CCCO2)C3CC=C45	CHEMBL72265	O=C5CCC4C3CCC1C(CCC12CCCO2)C3CC=C4N5
CC34CCC1C(CCC2=CC(=O)CCC12)C3CC[C@@]45CCCO5	CHEMBL75050	O=C5CCC4C3CCC1C(CCC12CCCO2)C3CCC4=C5
CC2=CC(=C)C(Cc1ccc(N(=O)=O)cc1)C(C)(C)C2	CHEMBL50023	C=C1C=CCCC1Cc2ccccc2
FC(F)(F)CNC2=CC1OC(=O)C=C(C(F)(F)F)C1C=C2	CHEMBL387570	O=C2OC1C=CC=CC1C=C2
COc1ccccc1Sc2ccc(C#N)c(OC)c2	CHEMBL510145	S(c1ccccc1)c2ccccc2
CN3CC[C@H](N(Cc1ccccc1C(F)(F)F)c2ccc(C#N)c(Cl)c2)C3	CHEMBL558664	C3CC(N(Cc1ccccc1)c2ccccc2)CN3
CN5C4CCC3C2CCC(C(=O)c1ccc[nH]1)C2(C)CCC3C4(C)C=CC5=O	CHEMBL75071	O=C5NC4CCC3C2CCC(C(=O)c1ccc[nH]1)C2CCC3C4C=C5
C[C@](C1CC1)(c2ccc(F)cc2)c3c[nH]c4c(NS(C)(=O)=O)cccc34	CHEMBL391439	C1CC1C(c2ccccc2)c3c[nH]c4ccccc34
CC4C(=O)C(C)(C)Nc5ccc3c1ccccc1o\c(=C/c2cccc(F)c2)c3c45	CHEMBL34824	O=C5CNc4ccc3c1ccccc1oc(=Cc2ccccc2)c3c4C5
CN(C)C1CC(C(C)(C)CO)Nc2ccc(N(=O)=O)cc12	CHEMBL467887	C2CNc1ccccc1C2
CC2(C)N(CCCCO)C(=O)N(c1ccc(C#N)c(I)c1)C2=O	CHEMBL187251	O=C1CNC(=O)N1c2ccccc2
CN5C4CCC3C2CCC1(CCCO1)C2(C)CCC3C4(C)C=CC5=O	CHEMBL74671	O=C5NC4CCC3C2CCC1(CCCO1)C2CCC3C4C=C5
Cn1c(C#N)ccc1c3cc(F)c2NC(=O)C(C)(C)c2c3	CHEMBL407848	O=C3Cc2cc(c1ccc[nH]1)ccc2N3
Cc3ccc(C(=O)CC(Nc1ccc(N(=O)=O)cc1)c2ccccc2)cc3	CHEMBL1163604	O=C(CC(Nc1ccccc1)c2ccccc2)c3ccccc3
COc2cc(C[C@@H]1C(=C)CC[C@@H](Br)C1(C)C)c(O)cc2Br	CHEMBL51639	C=C1CCCCC1Cc2ccccc2
FC(F)(F)c3cc(=O)[nH]c4cc2OC[C@H]1CCCN1c2cc34	CHEMBL227749	O=c4ccc3cc2N1CCCC1COc2cc3[nH]4
C[C@]12CC[C@H](O)CC1=CCC3C2CC[C@@]4(C)C3CC=C4c5cncnc5	CHEMBL77062	C5CCC4=CCC1C(CCC2C1CC=C2c3cncnc3)C4C5
CCCC2=C(C(=O)OC)C(c1ccc(F)cc1Cl)C(C#N)=C(C)N2	CHEMBL1215549	N2C=CC(c1ccccc1)C=C2
CC(C)C(C)\C=C\C(C)C2CCC3C(=C/C=C1/C[C@@H](O)CCC1=C)/CCCC23C	CHEMBL50241	C=C1CCCCC1=CC=C3CCCC2CCCC23
CCCCC[C@H]4C[C@@]1(C)C(CC[C@@H]1O)C3CCC2=CC(=O)CCC2=C34	CHEMBL184313	O=C4CCC3=C2CCC1CCCC1C2CCC3=C4
C/C=C4/C(=O)CC3C2CCC1=CC(=O)CC[C@]1(C)C2CC[C@@]34C	CHEMBL197846	C=C4C3CCC1C(CCC2=CC(=O)CCC12)C3CC4=O
CC(=O)S[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@H]5CC[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@H]45	CHEMBL1393	O=C5CCC4(CCC3C2CCC1=CC(=O)CCC1C2CCC34)O5
CC2CCN(c1cc(C(F)(F)F)c(C#N)cn1)CC2	CHEMBL249072	C2CCN(c1ccccn1)CC2
Cn1c(C#N)ccc1c2ccc(C(=O)C(C)(C)C)cc2	CHEMBL1209236	c2ccc(c1ccc[nH]1)cc2
Cn1c(C#N)ccc1c4ccc3NC(=O)COC(C)(c2ccsc2)c3c4	CHEMBL522432	O=C4COC(c1ccsc1)c3cc(c2ccc[nH]2)ccc3N4
C/C=C4\C[C@H]3[C@H]2CC[C@H]1N(C)C(=O)C=C[C@@]1(C)[C@@H]2CC[C@@]3(C)[C@@H]4O	CHEMBL557116	C=C4CC3CCC2C(CCC1NC(=O)C=CC12)C3C4
CC3(C)OC(=S)Nc2ccc(c1csc(C#N)c1)cc23	CHEMBL282650	S=C3Nc2ccc(c1ccsc1)cc2CO3
Cc1cc(C#N)sc1c3ccc2NC(C)(C)C(=O)C(C)(C)c2c3	CHEMBL132889	O=C3CNc2ccc(c1cccs1)cc2C3
CC14CCCN1c3cc2[nH]c(=O)cc(C(F)(F)F)c2cc3CC4	CHEMBL156312	O=c4ccc3cc2CCC1CCCN1c2cc3[nH]4
O=C3[C@H]2C1CC(C=C1)[C@H]2C(=O)N3c5ccc4ccccc4c5	CHEMBL181674	O=C3C2C1CC(C=C1)C2C(=O)N3c5ccc4ccccc4c5
CC(=O)O[C@]5(C(C)=O)CCC4C3C=C(Cl)C2=CC(=O)[C@@H]1CC1[C@]2(C)C3CC[C@@]45C	CHEMBL361245	O=C5C=C3C=CC2C1CCCC1CCC2C3C4CC45
CC2=CC(C)(C)Nc3c(C)c1[nH]c(=O)cc(C(F)(F)F)c1cc23	CHEMBL157703	O=c3ccc2cc1C=CCNc1cc2[nH]3
CC3=CC(C)(C)Nc4ccc2c(COc1ccc(N(=O)=O)cc12)c34	CHEMBL64294	C4Nc3ccc2c(COc1ccccc12)c3C=C4
Cn3cc(N(Cc1ccccc1)c2ccc(N(=O)=O)cc2)cc3C(O)=O	CHEMBL519112	C(N(c1ccccc1)c2cc[nH]c2)c3ccccc3
CC12CCC(C)(O1)[C@@H]4[C@H]2C(=O)N(c3cnc(C#N)c(Cl)c3)C4=O	CHEMBL403213	O=C3C2C1CCC(O1)C2C(=O)N3c4cccnc4
Cn1c(C#N)ccc1c4ccc3NC(=O)COC(C)(c2ccco2)c3c4	CHEMBL489788	O=C4COC(c1ccco1)c3cc(c2ccc[nH]2)ccc3N4
CC12CCC(=O)CC1CCC3C2CCC4(C)C3CCC4=O	CHEMBL74599	O=C4CCC1C(CCC2C1CCC3C2CCC3=O)C4
CC3(C)OC(=O)Nc2ccc(c1coc(C#N)c1)cc23	CHEMBL138059	O=C3Nc2ccc(c1ccoc1)cc2CO3
O[C@@H]1CCN4[C@@H]1C(=O)N(c2ccc(C#N)c3cccnc23)C4=O	CHEMBL397274	O=C2C1CCCN1C(=O)N2c3cccc4cccnc34
C[C@@H]2CN(c1ccc(C#N)c(C(F)(F)F)c1)[C@@H](C)CN2C(=O)Nc3ccncc3	CHEMBL199899	O=C(Nc1ccncc1)N3CCN(c2ccccc2)CC3
COc3c(C(=O)OC(F)(F)F)ccc4oc(=O)c2c(ccc1[nH]c(=O)cc(C)c12)c34	CHEMBL256769	O=c4ccc2c(ccc3c1ccccc1oc(=O)c23)[nH]4