CSc3nc(c2ccc1ccccc1c2)nn3C(=O)N(C)C	CHEMBL335033	c3ccc2cc(c1nc[nH]n1)ccc2c3
C/C=C2\[C@@H]3Cc1[nH]c(=O)ccc1[C@@]2(N)CC(C)=C3	CHEMBL395280	C=C2C3Cc1[nH]c(=O)ccc1C2CC=C3
CSc2nc(/C=C/c1ccccc1)nn2C(=O)N(C)C	CHEMBL339995	C(=Cc1nc[nH]n1)c2ccccc2
C[N+]2(C)CCO[C@@](O)(c1ccc(C#N)cc1)C2	CHEMBL342564	C2COC(c1ccccc1)CN2
CNC(=O)Oc3ccc2N(C)C1OCC[C@@]1(C)c2c3	CHEMBL362444	C3CC1C(Nc2ccccc12)O3
CCSc2nc(c1ccc(Cl)cc1)nn2C(=O)N(C)C	CHEMBL336524	c2ccc(c1nc[nH]n1)cc2
COc4ccc5C[N@@](CCOc2ccc(CN1CCCCC1)cc2)CC[C@@]36C=C[C@H](O)C[C@@H]3Oc4c56	CHEMBL515813	C6CCN(Cc5ccc(OCCN2CCC14C=CCCC1Oc3cccc(C2)c34)cc5)CC6
COc4ccc5C[N@](CCOc2ccc(CN1CCCCC1)cc2)CC[C@@]36C=C[C@H](O)C[C@@H]3Oc4c56	CHEMBL515813	C6CCN(Cc5ccc(OCCN2CCC14C=CCCC1Oc3cccc(C2)c34)cc5)CC6
COCC[N+]3(C)CCCC(C(=O)c2cc1cc(OC)c(OC)cc1s2)CC3	CHEMBL364125	O=C(C1CCCNCC1)c3cc2ccccc2s3
CCC1=CC3CC(C1)Cc4nc2ccccc2c(N)c34	CHEMBL542497	C1C=CC3CC1Cc4nc2ccccc2cc34
CC3Cc2cc1OCOc1cc2C3=O	CHEMBL422695	O=C2CCc3cc1OCOc1cc23
CCCCCCNC(=O)Oc3ccc2C1CC(CC[N@]1C)c2c3	CHEMBL61274	C1CC2CC(N1)c3ccccc23
CCCCCCNC(=O)Oc3ccc2C1CC(CC[N@@]1C)c2c3	CHEMBL61274	C1CC2CC(N1)c3ccccc23
O=C(CN1CCCC1)Nc6ccc5nc4c3[nH]c2ccccc2c3ccn4c(=O)c5c6	CHEMBL1096953	O=C(CN1CCCC1)Nc6ccc5nc4c3[nH]c2ccccc2c3ccn4c(=O)c5c6
O=C(CN1CCCC1)Nc6ccc5nc4c3[nH]c2ccccc2c3ccn4c(=O)c5c6	CHEMBL1096953	O=C(CN1CCCC1)Nc6ccc5nc4c3[nH]c2ccccc2c3ccn4c(=O)c5c6
CNC(=O)Oc2cccc3C1C(CC[N@@]1C)CCc23	CHEMBL189907	C3CC2CCc1ccccc1C2N3
CNC(=O)Oc2cccc3C1C(CC[N@]1C)CCc23	CHEMBL189907	C3CC2CCc1ccccc1C2N3
C[N+]4(Cc1ccccc1)CCC(CCC(=O)c3ccc2OCCc2c3)CC4	CHEMBL87344	O=C(CCC2CCN(Cc1ccccc1)CC2)c4ccc3OCCc3c4
C[N+](C)(C)c2cc(O)cc(OCCCOc1cc(O)cc([N+](C)(C)C)c1)c2	CHEMBL477140	C(COc1ccccc1)COc2ccccc2
O=C(NCCC2CCN(Cc1ccccc1)CC2)c3cccnc3	CHEMBL299313	O=C(NCCC2CCN(Cc1ccccc1)CC2)c3cccnc3
CC2CCN(CC1CCCCC1)CC2	CHEMBL345241	C2CCC(CN1CCCCC1)CC2
COc4cc3C\C(=C/c2ccc(CN1CCCC1)cc2)C(=O)c3cc4OC	CHEMBL465028	O=C3C(=Cc2ccc(CN1CCCC1)cc2)Cc4ccccc34
CN1C3CCC1CC(OC(=O)C(CO)c2ccccc2)C3	CHEMBL9751	O=C(Cc1ccccc1)OC2CC3CCC(C2)N3
Fc4ccc(C(N2CCN(CCN1CCCC1)CC2)c3ccc(F)cc3)cc4	CHEMBL427232	C4CCN(CCN3CCN(C(c1ccccc1)c2ccccc2)CC3)C4
COc4cc3o\c(=C/c2cccc(CN1CCCCC1)c2)c(=O)c3cc4OC	CHEMBL475162	O=c3c(=Cc2cccc(CN1CCCCC1)c2)oc4ccccc34
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl	CHEMBL1652	O=C(NCCNCc1ccccc1)C(=O)NCCNCc2ccccc2
COc4ccc3c(=O)c(=C/c2cc[n+](Cc1ccccc1F)cc2)/oc3c4	CHEMBL1223029	O=c3c(=Cc2cc[n+](Cc1ccccc1)cc2)oc4ccccc34
COc4cc3CC(Oc2ccc(CN1CCCC1)cc2)C(=O)c3cc4OC	CHEMBL180483	O=C3C(Oc2ccc(CN1CCCC1)cc2)Cc4ccccc34
CN(C)C(=O)Oc3ccc2[C@@H](CCOc1ccc(N(=O)=O)cc1)N(C)CC=Cc2c3	CHEMBL197696	C(CC1NCC=Cc2ccccc12)Oc3ccccc3
CN(C)C(=O)Oc3ccc2[C@@H](CCOc1ccc(N(=O)=O)cc1)N(C)CC=Cc2c3	CHEMBL197696	C(CC1NCC=Cc2ccccc12)Oc3ccccc3
C[N+](C)(CC1OCCCO1)CC(=O)c4ccc(c3ccc(C(=O)C[N+](C)(C)CC2OCCCO2)cc3)cc4	CHEMBL1204112	O=C(CNCC1OCCCO1)c4ccc(c3ccc(C(=O)CNCC2OCCCO2)cc3)cc4
C[C@H]1CCC[C@@H](C)N1S(C)(=O)=O	CHEMBL576005	C1CCNCC1
CN3CCC(\C=C2/Cc1ccccc1C2=O)CC3	CHEMBL156874	O=C2C(=CC1CCNCC1)Cc3ccccc23
OC(=O)CCCC[C@@H]1CCSS1	CHEMBL134342	C1CSSC1
COc3cc(O)c(C(=O)\C=C\c2cccc(N1CCCC1)c2)cc3OC	CHEMBL594225	O=C(C=Cc2cccc(N1CCCC1)c2)c3ccccc3
COc3cc(O)c(C(=O)\C=C\c2cccc(N1CCCC1)c2)cc3OC	CHEMBL594225	O=C(C=Cc2cccc(N1CCCC1)c2)c3ccccc3
C[C@@]1(O)C[N+](C)(C)CCO1	CHEMBL146674	C1COCCN1
CCN(CC)CC(=O)Nc5ccc4nc3c2[nH]c1ccccc1c2ccn3c(=O)c4c5	CHEMBL1096952	O=c4c1ccccc1nc5c3[nH]c2ccccc2c3ccn45
CCN(CC)CC(=O)Nc5ccc4nc3c2[nH]c1ccccc1c2ccn3c(=O)c4c5	CHEMBL1096952	O=c4c1ccccc1nc5c3[nH]c2ccccc2c3ccn45
OC(=O)c2cccc(N1C(=O)CCC1=O)c2	CHEMBL52722	O=C1CCC(=O)N1c2ccccc2
N#CC(C#N)=C1NCCN1CCNCc3ccc(CN2CCCC2)o3	CHEMBL155111	C=C1NCCN1CCNCc3ccc(CN2CCCC2)o3
COc4cc3cc(C(=O)CCc2cc[n+](CC1CCC1)cc2)sc3cc4OC	CHEMBL82810	O=C(CCc2cc[n+](CC1CCC1)cc2)c4cc3ccccc3s4
C/N=C1/CCc2c1n(C)c3ccc(OC(=O)N(C)C)c(Br)c23	CHEMBL158946	N=C1CCc2c1[nH]c3ccccc23
COc4cc(C(=O)NNc2c1CCCCc1nc3ccccc23)cc(OC)c4OC	CHEMBL219262	O=C(NNc2c1CCCCc1nc3ccccc23)c4ccccc4
CCN(CC)Cc2ccc(OCCCCCCCCN1CCCC1)cc2	CHEMBL1082845	C(CCCCN1CCCC1)CCCOc2ccccc2
COc3cc(O)c(C(=O)\C=C\c2ccc(N1CCCC1)cc2)cc3OC	CHEMBL596513	O=C(C=Cc2ccc(N1CCCC1)cc2)c3ccccc3
COc3cc(O)c(C(=O)\C=C\c2ccc(N1CCCC1)cc2)cc3OC	CHEMBL596513	O=C(C=Cc2ccc(N1CCCC1)cc2)c3ccccc3
CCCCCCSc2nc(c1ccc(Cl)cc1)nn2C(=O)N3CCCCC3	CHEMBL335158	O=C(N1CCCCC1)n3cnc(c2ccccc2)n3
COc5ccc4cc3c2cc1OCOc1cc2CC[n+]3cc4c5OCC[n+]6cccc(C)c6	CHEMBL1164261	C(C[n+]1ccccc1)Oc5cccc6cc4c3cc2OCOc2cc3CC[n+]4cc56
O=C1CCCN1CC#CCN2CCCC2	CHEMBL7634	O=C1CCCN1CC#CCN2CCCC2
O=c4ccc3[C@@H](NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12)CCCc3[nH]4	CHEMBL483090	O=c4ccc3C(NCCCCCCCCCCNC1CCCc2[nH]c(=O)ccc12)CCCc3[nH]4
Cc2nc1cccc(F)c1c(N)c2CSC3(C(F)(F)F)CCCO3	CHEMBL108434	C3COC(SCc2cnc1ccccc1c2)C3
C[N+](C)(C)CCCCCCCCCC[n+]3c(c1ccccc1)cc(N)c4ccc2ccc(N)cc2c34	CHEMBL538358	c4ccc(c3ccc2ccc1ccccc1c2n3)cc4
CN3C1OCC[C@@]1(C)c4cc(OC(=O)Nc2ccccc2C)ccc34	CHEMBL362049	O=C(Nc1ccccc1)Oc4ccc3NC2OCCC2c3c4
CN(C)C(=O)Oc1cccc2C(N)CCc12	CHEMBL554452	C2Cc1ccccc1C2
CN(C)CCCC=C	CHEMBL148522	nonring
COc4cc3occ(c2ccc(N1CCCC1)cc2)c(=O)c3cc4OC	CHEMBL594229	O=c3c(c2ccc(N1CCCC1)cc2)coc4ccccc34
COc4cc3CC(CC2CCN(c1ccccc1)CC2)C(=O)c3cc4OC	CHEMBL1083982	O=C3C(CC2CCN(c1ccccc1)CC2)Cc4ccccc34
C(CCCNc1ccncc1)CCCNc3c2CCCCc2nc4ccccc34	CHEMBL1084369	C(CCCNc1ccncc1)CCCNc3c2CCCCc2nc4ccccc34
Nc2c1CCCOc1nc3cnccc23	CHEMBL130373	C3COc2nc1cnccc1cc2C3
COc4cc3CC(C2CCN(Cc1ccccc1)CC2)C(=O)c3cc4OC	CHEMBL538296	O=C3C(C2CCN(Cc1ccccc1)CC2)Cc4ccccc34
CCCCCCCNC(=O)Oc2cccc3C1C(CC[N@]1C)COc23	CHEMBL187870	C3CC2COc1ccccc1C2N3
CCCCCCCNC(=O)Oc2cccc3C1C(CC[N@@]1C)COc23	CHEMBL187870	C3CC2COc1ccccc1C2N3
C[n+]1ccc6c(c1)n(CCCCCCCCCn3c2ccccc2c4cc[n+](C)cc34)c5ccccc56	CHEMBL1087458	C(CCCCn2c1ccccc1c3ccncc23)CCCCn5c4ccccc4c6ccncc56
CC2CCN(Cc1ccccc1)CC2	CHEMBL158232	C2CCN(Cc1ccccc1)CC2
CC[C@H](C)C5=NC[C@]2(C)[C@H](CC=C1C[C@@H]4[C@@H](CC[C@H]12)[C@]3(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]3(C)CC4=O)N5	CHEMBL235548	O=C5CC1CCCC1C4CCC3C2CN=CNC2CC=C3CC45
CCCCC2=NC1(CCCC1)C(=O)N2Cc3ccc(Br)cc3	CHEMBL392324	O=C2N(Cc1ccccc1)C=NC23CCCC3
CC2=CC3Cc1[nH]c(=O)ccc1C4(C2)NCCCC34	CHEMBL284102	O=c4ccc1c(CC2C=CCC13NCCCC23)[nH]4
CC[C@@]4(c1cccc(O)c1)CCCCN(CCCCCCCCN3CCCC[C@@](CC)(c2cccc(O)c2)C3)C4	CHEMBL410915	C(CCCCN2CCCCC(c1ccccc1)C2)CCCN4CCCCC(c3ccccc3)C4
COc4cc3occ(c2cccc(N1CCCC1)c2)c(=O)c3cc4OC	CHEMBL595129	O=c3c(c2cccc(N1CCCC1)c2)coc4ccccc34
Cc2nc1ccccc1c(N)c2COCc3cccc(C(=O)C(F)(F)F)c3	CHEMBL108313	C(OCc2cnc1ccccc1c2)c3ccccc3
C[N@@](CCOCCNC(=S)NC(=O)c1ccccc1)C2CCCCC2	CHEMBL317541	O=C(NC(=S)NCCOCCNC1CCCCC1)c2ccccc2
C[N@](CCOCCNC(=S)NC(=O)c1ccccc1)C2CCCCC2	CHEMBL317541	O=C(NC(=S)NCCOCCNC1CCCCC1)c2ccccc2
C[N+]5(CC(=O)Nc1ccc2c(c1)c(=O)c4cccc3ccnc2c34)CCCC5	CHEMBL429660	O=C(CN1CCCC1)Nc2ccc3c(c2)c(=O)c5cccc4ccnc3c45
Nc2c1CCCc1nc3ccccc23	CHEMBL118752	C3Cc2cc1ccccc1nc2C3
CC(C)(C)c1cccc(C(=O)C(F)(F)F)c1	CHEMBL89354	c1ccccc1
CNC(=O)Oc3cccc(C[N@@](C)CCCOc2ccc1ccccc1c2)c3	CHEMBL542220	C(CNCc1ccccc1)COc3ccc2ccccc2c3
CNC(=O)Oc3cccc(C[N@](C)CCCOc2ccc1ccccc1c2)c3	CHEMBL542220	C(CNCc1ccccc1)COc3ccc2ccccc2c3
COc2cc1CC(C)C(=O)c1cc2O	CHEMBL347667	O=C1CCc2ccccc12
CO[P@]2(=O)OC[C@H]1COC(=O)C1=C(C)O2	CHEMBL603622	O=C2OCC1COP(=O)OC=C12
CC1=CC4CC(C1)c3c(N)c2ccc(Cl)cc2nc3C4	CHEMBL140476	C1C=CC4CC1c3cc2ccccc2nc3C4
CCC[N@@](c1ccncc1F)n2cc(C)c3cc(OC(=O)NC)ccc23	CHEMBL42531	N(c1ccncc1)n2ccc3ccccc23
CCC[N@](c1ccncc1F)n2cc(C)c3cc(OC(=O)NC)ccc23	CHEMBL42531	N(c1ccncc1)n2ccc3ccccc23
CCCN(c1ccncc1F)n2cc(C)c3cc(OC(=O)NC)ccc23	CHEMBL42531	N(c1ccncc1)n2ccc3ccccc23
C(CCCCC[n+]1ccccc1)CCCCC[n+]2ccccc2	CHEMBL430886	C(CCCCC[n+]1ccccc1)CCCCC[n+]2ccccc2
C(CCCCNC2=C1CCCCC1Nc3ccccc23)CCCNC5CCNC4CCCCC45	CHEMBL484705	C(CCCCNC2=C1CCCCC1Nc3ccccc23)CCCNC5CCNC4CCCCC45
Cc1ccccc1NC(=O)Oc4ccc3O[C@H]2C[C@](C)(CO2)c3c4	CHEMBL378404	O=C(Nc1ccccc1)Oc4ccc3OC2CC(CO2)c3c4
COc4cc3CC(C(=O)CCc2cc[n+](CC1CCC1)cc2)Sc3cc4OC	CHEMBL365904	O=C(CCc2cc[n+](CC1CCC1)cc2)C4Cc3ccccc3S4
C(CCC[n+]1ccc3c(c1)[nH]c2ccccc23)CCC[n+]4ccc6c(c4)[nH]c5ccccc56	CHEMBL1088722	C(CCC[n+]1ccc3c(c1)[nH]c2ccccc23)CCC[n+]4ccc6c(c4)[nH]c5ccccc56
CC[C@H](C)C6=NC[C@]2(C)[C@H](CC[C@]13C[C@@]15[C@@H](CC[C@@H]23)[C@]4(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]4(C)CC5=O)N6	CHEMBL238063	O=C5CC1CCCC1C4CCC3C2CN=CNC2CCC36CC456
CCOC(=O)c3cc2c(N)c1CCCCc1nc2nc3C	CHEMBL1087194	C3CCc2nc1ncccc1cc2C3
C[N+]5(CCC(=O)Nc1ccc2c(c1)c(=O)c4cccc3ccnc2c34)CCCC5	CHEMBL245470	O=C(CCN1CCCC1)Nc2ccc3c(c2)c(=O)c5cccc4ccnc3c45
Nc3c2C1CCC(C1)c2nc4cc(Cl)ccc34	CHEMBL352500	C1CC3CC1c4cc2ccccc2nc34
Nc3c2C1CCC(C1)c2nc4cc(Cl)ccc34	CHEMBL352500	C1CC3CC1c4cc2ccccc2nc34
CNC(=O)Oc2cccc(CN(C)CCCOc1ccccc1)c2	CHEMBL539045	C(CNCc1ccccc1)COc2ccccc2
CCN(CC)Cc3ccc(\C=C2/Cc1cc(OC)c(OC)cc1C2=O)cc3	CHEMBL464427	O=C2C(=Cc1ccccc1)Cc3ccccc23
CNC(=O)Oc2cccc3C1C(CC[N@]1C)CSc23	CHEMBL190322	C3CC2CSc1ccccc1C2N3
CNC(=O)Oc2cccc3C1C(CC[N@@]1C)CSc23	CHEMBL190322	C3CC2CSc1ccccc1C2N3
COc3cc2CC(C(=O)CCc1cc[n+](CC=C)cc1)Sc2cc3OC	CHEMBL189122	O=C(CCc1ccncc1)C3Cc2ccccc2S3