COc1ccccc1c4ccc3c(=C/c2[nH]cc(CCC(O)=O)c2C)/c(=O)[nH]c3c4	CHEMBL147112	O=c3[nH]c2cc(c1ccccc1)ccc2c3=Cc4ccc[nH]4
CCn3c(=O)c(c1c(Cl)cccc1Cl)cc4cnc(Nc2ccncc2)nc34	CHEMBL448154	O=c3[nH]c2nc(Nc1ccncc1)ncc2cc3c4ccccc4
CCn3c(=O)c(c1c(Cl)cccc1Cl)cc4cnc(Nc2ccncc2)nc34	CHEMBL448154	O=c3[nH]c2nc(Nc1ccncc1)ncc2cc3c4ccccc4
CN5CCN(c4ccc3nc(c2c(N)c1ncccc1[nH]c2=O)[nH]c3c4)CC5	CHEMBL205405	O=c2[nH]c1cccnc1cc2c5nc4ccc(N3CCNCC3)cc4[nH]5
CN5CCN(c3cccc4[nH]c(=O)c(c2nc1ccccc1[nH]2)c(N)c34)CC5	CHEMBL498551	O=c3[nH]c2cccc(N1CCNCC1)c2cc3c5nc4ccccc4[nH]5
CN5CCN(c3cccc4[nH]c(=O)c(c2nc1ccccc1[nH]2)c(N)c34)CC5	CHEMBL498551	O=c3[nH]c2cccc(N1CCNCC1)c2cc3c5nc4ccccc4[nH]5
COCCOc3cc2ncnc(Nc1cc(O)c(Cl)cc1F)c2cc3OC	CHEMBL347086	N(c1ccccc1)c2ncnc3ccccc23
COCCOc3cc2ncnc(Nc1cc(O)c(Cl)cc1F)c2cc3OC	CHEMBL347086	N(c1ccccc1)c2ncnc3ccccc23
CN(C)[C@H]5CCN(c4ccc3nc(c2c(N)c1ccccc1[nH]c2=O)[nH]c3c4)C5	CHEMBL496150	O=c2[nH]c1ccccc1cc2c5nc4ccc(N3CCCC3)cc4[nH]5
CN(C)[C@H]5CCN(c4ccc3[nH]c(c2c(N)c1ccccc1[nH]c2=O)nc3c4)C5	CHEMBL496150	O=c2[nH]c1ccccc1cc2c5nc4cc(N3CCCC3)ccc4[nH]5
C[C@@H](O)COc4cn3ncnc(Oc2ccc1[nH]c(C)cc1c2F)c3c4C	CHEMBL377300	O(c2ccc1[nH]ccc1c2)c3ncnn4cccc34
O=c3[nH]c1ccccc1c(NCC2CCNCC2)c3c5nc4ccccc4[nH]5	CHEMBL526285	O=c3[nH]c1ccccc1c(NCC2CCNCC2)c3c5nc4ccccc4[nH]5
Oc3ccc(CC2=Cc1ccc(O)c(O)c1OC2)cc3O	CHEMBL477560	C2Oc1ccccc1C=C2Cc3ccccc3
CC(C)c4c(c1nnc(C)o1)cn5ncnc(Nc3cnc2[nH]ccc2c3)c45	CHEMBL258694	N(c2cnc1[nH]ccc1c2)c4ncnn5cc(c3nnco3)cc45
CN5CCC(N(C)c4ccc3[nH]c(c1n[nH]c2ccccc12)nc3c4)CC5	CHEMBL212429	C5CC(Nc4ccc3[nH]c(c1n[nH]c2ccccc12)nc3c4)CCN5
CN5CCN(c4ccc(Nc3ncc2ccc(=O)n(C1CCCCC1)c2n3)cc4)CC5	CHEMBL140808	O=c4ccc3cnc(Nc2ccc(N1CCNCC1)cc2)nc3n4C5CCCCC5
CN5CCN(c4ccc(Nc3ncc2ccc(=O)n(C1CCCCC1)c2n3)cc4)CC5	CHEMBL140808	O=c4ccc3cnc(Nc2ccc(N1CCNCC1)cc2)nc3n4C5CCCCC5
CN5CCN(c4ccc3[nH]c(c1n[nH]c2ccccc12)nc3c4)CC5	CHEMBL208600	C5CN(c4ccc3[nH]c(c1n[nH]c2ccccc12)nc3c4)CCN5
CN5CCN(c4ccc3nc(c1n[nH]c2ccccc12)[nH]c3c4)CC5	CHEMBL208600	C5CN(c4ccc3nc(c1n[nH]c2ccccc12)[nH]c3c4)CCN5
Nc3c(c2nc1ccccc1[nH]2)c(=O)[nH]c4sccc34	CHEMBL205406	O=c2[nH]c1sccc1cc2c4nc3ccccc3[nH]4
Nc3c(c2nc1ccccc1[nH]2)c(=O)[nH]c4sccc34	CHEMBL205406	O=c2[nH]c1sccc1cc2c4nc3ccccc3[nH]4
C5CN(c4ccc3[nH]c(c1n[nH]c2ccccc12)nc3c4)CCO5	CHEMBL209783	C5CN(c4ccc3[nH]c(c1n[nH]c2ccccc12)nc3c4)CCO5
Nc3c(c2nc1ccc[nH]c1n2)c(=O)[nH]c4cnccc34	CHEMBL204985	O=c2[nH]c1cnccc1cc2c4nc3ccc[nH]c3n4
Nc2nc(Nc1ccc(S(N)(=O)=O)cc1)nn2C(=O)c3c(F)cccc3F	CHEMBL191003	O=C(c1ccccc1)n3cnc(Nc2ccccc2)n3
CN5CCC(N(C)c4ccc3nc(c1n[nH]c2ccccc12)[nH]c3c4)CC5	CHEMBL212429	C5CC(Nc4ccc3nc(c1n[nH]c2ccccc12)[nH]c3c4)CCN5
CN4CCC(CNC(=O)c3c(C)[nH]c(\C=c1/c(=O)[nH]c2ccc(F)cc12)c3C)CC4	CHEMBL13983	O=C(NCC1CCNCC1)c4c[nH]c(C=c2c(=O)[nH]c3ccccc23)c4
O=C(NC1CC1)Nc2c[nH]nc2c5nc4cc(CN3CCOCC3)ccc4[nH]5	CHEMBL495727	O=C(NC1CC1)Nc2c[nH]nc2c5nc4cc(CN3CCOCC3)ccc4[nH]5
O=C(NC1CC1)Nc2c[nH]nc2c5nc4ccc(CN3CCOCC3)cc4[nH]5	CHEMBL495727	O=C(NC1CC1)Nc2c[nH]nc2c5nc4ccc(CN3CCOCC3)cc4[nH]5
Cc3c[nH]c(\C=c1/c(=O)[nH]c2ccccc12)c3CCC(O)=O	CHEMBL89363	O=c2[nH]c1ccccc1c2=Cc3ccc[nH]3
CC(=O)Oc4ccc3[nH]c(C(=O)c2cc1ccccc1[nH]2)cc3c4	CHEMBL7572	O=C(c2cc1ccccc1[nH]2)c4cc3ccccc3[nH]4
C[N@@]5CCCN(c4ccc3nc(c2c(N)c1ccccc1[nH]c2=O)[nH]c3c4)CC5	CHEMBL523071	O=c2[nH]c1ccccc1cc2c5nc4ccc(N3CCCNCC3)cc4[nH]5
C[N@]5CCCN(c4ccc3nc(c2c(N)c1ccccc1[nH]c2=O)[nH]c3c4)CC5	CHEMBL523071	O=c2[nH]c1ccccc1cc2c5nc4ccc(N3CCCNCC3)cc4[nH]5
C[N@@]5CCCN(c4ccc3[nH]c(c2c(N)c1ccccc1[nH]c2=O)nc3c4)CC5	CHEMBL523071	O=c2[nH]c1ccccc1cc2c5nc4cc(N3CCCNCC3)ccc4[nH]5
C[N@]5CCCN(c4ccc3[nH]c(c2c(N)c1ccccc1[nH]c2=O)nc3c4)CC5	CHEMBL523071	O=c2[nH]c1ccccc1cc2c5nc4cc(N3CCCNCC3)ccc4[nH]5
COc4cc(OC)cc(c2cc1cnc(N)cc1nc2NC(=O)Nc3ccccc3)c4	CHEMBL134066	O=C(Nc1ccccc1)Nc3nc2ccncc2cc3c4ccccc4
CN4CCN(c3cc(Nc1cc(C)[nH]n1)nc(C=Cc2ccccc2)n3)CC4	CHEMBL482968	C4CN(c3cc(Nc1cc[nH]n1)nc(C=Cc2ccccc2)n3)CCN4
C5CN(c4ccc3nc(c1n[nH]c2ccccc12)[nH]c3c4)CCO5	CHEMBL209783	C5CN(c4ccc3nc(c1n[nH]c2ccccc12)[nH]c3c4)CCO5
CC(C)n3c(=O)ccc4cnc(Nc2ccc(N1CCN(C)CC1)cc2)nc34	CHEMBL143147	O=c4ccc3cnc(Nc2ccc(N1CCNCC1)cc2)nc3[nH]4
CN4CCN(c3cc(Nc1cc(C)[nH]n1)nc(C=Cc2ccccc2)n3)CC4	CHEMBL482968	C4CN(c3cc(Nc1cc[nH]n1)nc(C=Cc2ccccc2)n3)CCN4
Cc4[nH]c(\C=c2/c(=O)[nH]c3ccc(C(=O)NNc1ccccc1)cc23)c(C)c4CCC(O)=O	CHEMBL480356	O=C(NNc1ccccc1)c4ccc3[nH]c(=O)c(=Cc2ccc[nH]2)c3c4
C5CN(c3cccc4[nH]c(c1n[nH]c2ccccc12)nc34)CCO5	CHEMBL211708	C5CN(c3cccc4[nH]c(c1n[nH]c2ccccc12)nc34)CCO5
COc1ccccc1c5ccc4c(=C/c3[nH]c2CCCCc2c3CCC(O)=O)/c(=O)[nH]c4c5	CHEMBL313821	O=c3[nH]c2cc(c1ccccc1)ccc2c3=Cc5cc4CCCCc4[nH]5
CN5CCN(c4ccc3[nH]c(c1n[nH]c2ccccc12)nc3c4)CC5	CHEMBL208600	C5CN(c4ccc3[nH]c(c1n[nH]c2ccccc12)nc3c4)CCN5
C[N@@]5CCCC(Oc3cccc4[nH]c(=O)c(c2nc1ccccc1[nH]2)c(N)c34)C5	CHEMBL495749	O=c3[nH]c2cccc(OC1CCCNC1)c2cc3c5nc4ccccc4[nH]5
C[N@]5CCCC(Oc3cccc4[nH]c(=O)c(c2nc1ccccc1[nH]2)c(N)c34)C5	CHEMBL495749	O=c3[nH]c2cccc(OC1CCCNC1)c2cc3c5nc4ccccc4[nH]5
CN5CCN(c4ccc3[nH]c(c2c(N)c1ncccc1[nH]c2=O)nc3c4)CC5	CHEMBL205405	O=c2[nH]c1cccnc1cc2c5nc4cc(N3CCNCC3)ccc4[nH]5
CC(C)n3c(=O)ccc4cnc(Nc2ccc(N1CCN(C)CC1)cc2)nc34	CHEMBL143147	O=c4ccc3cnc(Nc2ccc(N1CCNCC1)cc2)nc3[nH]4
O=c3[nH]c1ccccc1c(NCC2CCNCC2)c3c5nc4ccccc4[nH]5	CHEMBL526285	O=c3[nH]c1ccccc1c(NCC2CCNCC2)c3c5nc4ccccc4[nH]5
Nc4c(c3nc2nc(N1CCOCC1)ccc2[nH]3)c(=O)[nH]c5ccccc45	CHEMBL380702	O=c2[nH]c1ccccc1cc2c5nc4nc(N3CCOCC3)ccc4[nH]5
Nc4c(c3nc2cc(N1CCOCC1)ccc2[nH]3)c(=O)[nH]c5ccccc45	CHEMBL204426	O=c2[nH]c1ccccc1cc2c5nc4cc(N3CCOCC3)ccc4[nH]5
COc3cc(OC)cc(c2cc1cnc(N)nc1n(C)c2=O)c3	CHEMBL296540	O=c2[nH]c1ncncc1cc2c3ccccc3
Cn3c(=O)c(c1c(Cl)cccc1Cl)cc4cnc(Nc2ccccc2)nc34	CHEMBL301612	O=c3[nH]c2nc(Nc1ccccc1)ncc2cc3c4ccccc4
Nc4ncc3cc(c1c(Cl)cccc1Cl)c(=O)n(Cc2ccncc2)c3n4	CHEMBL336093	O=c3c(c1ccccc1)cc2cncnc2n3Cc4ccncc4
Cn3c(=O)c(c1c(Cl)cccc1Cl)cc4cnc(NCCCn2ccnc2)cc34	CHEMBL106953	O=c3[nH]c2cc(NCCCn1ccnc1)ncc2cc3c4ccccc4
Nc4c(c3nc2ccc(N1CCOCC1)cc2[nH]3)c(=O)[nH]c5ccccc45	CHEMBL204426	O=c2[nH]c1ccccc1cc2c5nc4ccc(N3CCOCC3)cc4[nH]5
CN5CCN(c4ccc3[nH]c(c2c(N)c1ncccc1[nH]c2=O)nc3c4)CC5	CHEMBL205405	O=c2[nH]c1cccnc1cc2c5nc4cc(N3CCNCC3)ccc4[nH]5
Nc4c(c3nc2ccc(N1CCOCC1)cc2[nH]3)c(=O)[nH]c5cnccc45	CHEMBL205108	O=c2[nH]c1cnccc1cc2c5nc4ccc(N3CCOCC3)cc4[nH]5
Nc4c(c3nc2ccc(N1CCOCC1)[nH]c2n3)c(=O)[nH]c5ccccc45	CHEMBL380702	O=c2[nH]c1ccccc1cc2c5nc4ccc(N3CCOCC3)[nH]c4n5
Oc4cc3C[C@@]2(O)COc1c(O)c(O)ccc1[C@H]2c3cc4O	CHEMBL477197	C2Oc1ccccc1C3C2Cc4ccccc34
Cn3c(=O)c(c1c(Cl)cccc1Cl)cc4cnc(Nc2cccnc2)nc34	CHEMBL325589	O=c3[nH]c2nc(Nc1cccnc1)ncc2cc3c4ccccc4
CNS(=O)(=O)c4ccc3[nH]c(=O)\c(=C/c2[nH]c1CCCCc1c2CCC(N)=O)c3c4	CHEMBL56569	O=c2[nH]c1ccccc1c2=Cc4cc3CCCCc3[nH]4
Nc3c(c2nc1ccccc1[nH]2)c(=O)[nH]c4cnccc34	CHEMBL383618	O=c2[nH]c1cnccc1cc2c4nc3ccccc3[nH]4
Nc3c(c2nc1ccccc1[nH]2)c(=O)[nH]c4cnccc34	CHEMBL383618	O=c2[nH]c1cnccc1cc2c4nc3ccccc3[nH]4
CCC5CCN(C)C(Nc3c(c2nc1ccccc1[nH]2)c(=O)[nH]c4ccccc34)C5	CHEMBL495984	O=c3[nH]c1ccccc1c(NC2CCCCN2)c3c5nc4ccccc4[nH]5
CCC5CCN(C)C(Nc3c(c2nc1ccccc1[nH]2)c(=O)[nH]c4ccccc34)C5	CHEMBL495984	O=c3[nH]c1ccccc1c(NC2CCCCN2)c3c5nc4ccccc4[nH]5
Nc3c(c2nc1ccc[nH]c1n2)c(=O)[nH]c4ccccc34	CHEMBL204727	O=c2[nH]c1ccccc1cc2c4nc3ccc[nH]c3n4
CN5CCN(c4ccc3nc(c2c(N)c1ccccc1[nH]c2=O)nc3[nH]4)CC5	CHEMBL204524	O=c2[nH]c1ccccc1cc2c5nc4ccc(N3CCNCC3)[nH]c4n5
Nc4c(c3nc2ccc(N1CCOCC1)cc2[nH]3)c(=O)[nH]c5ccncc45	CHEMBL381283	O=c2[nH]c1ccncc1cc2c5nc4ccc(N3CCOCC3)cc4[nH]5
Nc4c(c3nc2cc(N1CCOCC1)ccc2[nH]3)c(=O)[nH]c5ccncc45	CHEMBL381283	O=c2[nH]c1ccncc1cc2c5nc4cc(N3CCOCC3)ccc4[nH]5
Nc4c(c3nc2cc(N1CCOCC1)ccc2[nH]3)c(=O)[nH]c5cnccc45	CHEMBL205108	O=c2[nH]c1cnccc1cc2c5nc4cc(N3CCOCC3)ccc4[nH]5
c5ccc4c(c3nc2cc(n1ccnc1)ccc2[nH]3)n[nH]c4c5	CHEMBL378003	c5ccc4c(c3nc2cc(n1ccnc1)ccc2[nH]3)n[nH]c4c5