annotate test-data/out3.smi @ 9:a446ea7e2bc1 draft default tip

"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 7ca965e469cce3951d22c854dc7b6cb2a3a4f9f6"

Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)OC(C)C)cc2)s1	CHEMBL3679770
CC(C)(O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675985
CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1	CHEMBL3971680
CC1CN(C)[C@H](c2cccnc2)C1C	CHEMBL334222
COCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12	CHEMBL3676059
Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)cs1	CHEMBL3679829
O=C(c1nccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1	CHEMBL1808867
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)C1c1cccnc1OCCO	CHEMBL3669815
CCCCCc1ccc(C2CCCN2C)cn1	CHEMBL103566
CC(C)(C)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12	CHEMBL3675955
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)o1	CHEMBL3679744
CN1CCCC1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c(sc6c5CCCC6)C4=O)c3CO)cn(C)c2=O)nc1	CHEMBL3670117
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4ccc(F)cn4)c3n2)c1=O	CHEMBL3676101
CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)cc1)c(C#N)c2N1CCOCC1	CHEMBL3589377
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1	CHEMBL3679826
COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3674850
CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1186094
O=C(c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)N1CC(O)C1	CHEMBL3675982
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]	CHEMBL54826
c1cc2c(cn1)C1N3CCCC1(CC3)C2	CHEMBL335828
CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2)c1	CHEMBL1182422
CN1CCCC1c1ccc(O)nc1	CHEMBL72010
CO[C@H]1C[C@@H](c2cccnc2)N(C)C1	CHEMBL326597
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1	CHEMBL3676026
CN1C(=O)[C@H](OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1c1cccnc1	CHEMBL3544598
CN1CCC[C@H]1c1ccc[n+](Cc2ccccc2)c1.[Br-]	CHEMBL563268
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1	CHEMBL3676013
C[C@@H](O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675984
CN1CCC[C@H]1c1ccc(Nc2ncc3cc(Br)c(=O)n(C4CCCC4)c3n2)nc1.Cl	CHEMBL3972301
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1	CHEMBL3669735
CN1C(=O)CC[C@@H]1c1cccnc1	CHEMBL365343
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ccccc2)c1	CHEMBL3897027
O=C(c1cc2c([nH]c1=O)CCC2)N1CCCC1c1cccnc1	CHEMBL3458802
CCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197114
CN1C(=O)CC[C@@]1(O)c1cccnc1	CHEMBL3544599
CN1[C@H](C#N)CC[C@H]1c1cccnc1	CHEMBL81899
COCc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669833
CCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C	CHEMBL1178992
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1	CHEMBL3958622
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NCC4CC4)c3n2)c1=O	CHEMBL3676094
CN1CCC[C@H]1c1cccnc1	CHEMBL3
CN1C(=O)[C@@H](O)C[C@@H]1c1cccnc1	CHEMBL3126033
CN1CCCC1c1ccc(CC(O)c2ccccc2)nc1	CHEMBL363379
Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669789
COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1	CHEMBL3679786
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(C5CCCN5C)cn4)c3c2)cc(Cl)c1O	CHEMBL3674295
C[C@@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675990
CCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL3614075
O=C(N[C@@H]1C2CC[C@@H](C2)[C@@H]1CO)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3676012
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCCN3C)c2)c1.[Br-].[Br-]	CHEMBL551930
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)nc1	CHEMBL3669770
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccccn1	CHEMBL1808878
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N3CCCC3)cc2)s1	CHEMBL3679838
CN1CCC[C@H]1c1ccc[n+](C)c1.[I-]	CHEMBL541771
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)C)c2n1	CHEMBL3676052
CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1179038
CCCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C	CHEMBL1183493
CN1C(=S)CC[C@H]1c1cccnc1	CHEMBL3114543
CCCc1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1	CHEMBL3486295
CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1	CHEMBL3614072
CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1.[Br-].[Br-].[Br-]	CHEMBL241119
CN1C(=O)CC[C@@H]1c1ccc[n+]([O-])c1	CHEMBL3126028
CCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]	CHEMBL301648
c1cc2c(cn1)[C@@H]1N3CCC1(CC3)C2	CHEMBL2111859
C=CC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1196878
CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1	CHEMBL3614081
CC(NC(=O)c1cnn2ccc(N3C(c4cncc(F)c4)CCC3(C)CO)nc12)C(F)(F)F	CHEMBL3676085
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CC(C)(C)C[C@@H]2c2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C	CHEMBL2338710
O=C(NC1CC1)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12	CHEMBL3675954
COC(=O)N1CC[C@@H]2C[C@@H](Sc3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21	CHEMBL225181
CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-]	CHEMBL104461
CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1194306
COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1	CHEMBL3679811
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C)n3)c2n1	CHEMBL3676103
CCOc1ccc(N2C(=O)C3=NCCNC(c4ccc(Cl)cc4)=C3C2c2cccnc2)cc1	CHEMBL1325781
COCCOCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669811
C#Cc1cncc(C2CCCN2C)c1	CHEMBL111580
CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12	CHEMBL3676024
CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12	CHEMBL3676069
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCC1	CHEMBL3676000
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCCN(C)C)cc2)s1	CHEMBL3679841
CCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3679781
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccncc1	CHEMBL1808880
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](O)CO)c2n1	CHEMBL3676017
CN1C(=O)CCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1	CHEMBL3925012
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC(C)(C)C)c3n2)c1=O	CHEMBL3676088
COCC(O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675993
O=C(NC1CCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675975
CN1CCC[C@H]1c1ccc[n+](Cc2ccccc2)c1	CHEMBL1197228
CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675930
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]	CHEMBL420649
CCOC(=O)c1c(C)nc2c(C3CCCN3C)cccn12	CHEMBL2147747
CN1CCC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	CHEMBL3114541
CN1CCCC1c1cnccc1N	CHEMBL193763
CC[C@H]1C[C@@H](c2cccnc2)N(C)C1	CHEMBL115793
CCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]	CHEMBL441977
CCCCC#CCCCCCC[n+]1cccc(C2CCCN2C)c1.[Br-]	CHEMBL599540
O=CN1CCC[C@H]1c1cccnc1	CHEMBL3126024
CN1C[C@H](CO)C[C@H]1c1cccnc1	CHEMBL434607
CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cccnc1	CHEMBL1715972
O=C1CC[C@]2(c3cccnc3)O[C@H](COc3ccc(Cl)cc3)CN12	CHEMBL343159
C=CS(=O)(=O)[C@H]1C[C@]2(C(=O)OC)CCC(=O)N2[C@H]1c1cccnc1	CHEMBL493120
Cc1cc(N(C)C)nc(N2CCCC2c2cccnc2)n1	CHEMBL3454403
CN1C(=O)CC[C@H]1c1cccnc1.CN1C(=O)CC[C@H]1c1cccnc1.O=C(O)/C=C/C(=O)O	CHEMBL3989573
O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675929
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1	CHEMBL3669795
CONC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12	CHEMBL3675958
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCCO)c2n1	CHEMBL3676022
CN1C[C@@H](CO)C[C@H]1c1cccnc1	CHEMBL118849
CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1	CHEMBL1808887
CN1CCCC1c1cccnc1	CHEMBL440464
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NN(C)C)cc2)s1	CHEMBL3679835
CCCC/C=C/CC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197208
CN1C(=O)CC[C@H]1c1ccc[n+](C)c1	CHEMBL3544791
O=C(NC1CCC[C@@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675994
COc1ccc(CCc2ccc(C3CCCN3C)cn2)cc1	CHEMBL190652
CN1CCC[C@H]1c1ccc[n+](C)c1	CHEMBL1190855
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@@H]3CCC[C@H]3O)c2n1	CHEMBL3676064
CCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]	CHEMBL57108
C=CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197169
CCc1cc(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)cnc4OC)nc23)[nH]n1	CHEMBL3676105
CCCCCCCCCC[n+]1cccc2c1CC[C@]1(C)CCN(C)[C@]21C.[I-]	CHEMBL320633
CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1	CHEMBL1182507
CCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]	CHEMBL441186
CCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21	CHEMBL1185915
CN1CCC[C@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O	CHEMBL151515
OC(COc1ccccc1-c1nc2ccccc2o1)CN1CCCC1c1cccnc1	CHEMBL608832
CN1C[C@@H](Cc2ccccc2)C[C@H]1c1cccnc1	CHEMBL420694
Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)no1	CHEMBL3669818
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCCO	CHEMBL3679823
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCCC4c4cccnc4)nc23)N1	CHEMBL3984229
NCCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12	CHEMBL3676016
CN1CCCC1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)nc1	CHEMBL3674296
Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cnccn3)cn2)ccn1	CHEMBL1808895
CCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]	CHEMBL417925
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cccnc1	CHEMBL1808879
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2[C@H](C)CN3C	CHEMBL2409141
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1	CHEMBL3639736
CN1CCCC1c1ccc(-c2ccccc2)nc1	CHEMBL350748
COc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)Nc3cc(C)n[nH]3)c2n1	CHEMBL3676102
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1Cl	CHEMBL3674784
CN1CCCC1c1cncc(Br)c1	CHEMBL61772
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@@H](O)C1	CHEMBL4108902
O=C(N[C@H]1CC[C@H](O)C1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675979
CN1CCC[C@H]1c1cccnc1.O.O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O	CHEMBL3989563
CC1=C(C(=O)N2CCCC2c2cccnc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1	CHEMBL601248
CN1CCC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O	CHEMBL3114538
CN1[C@H](c2cccnc2)CC[C@@H]1c1ccccc1	CHEMBL443018
CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]	CHEMBL3612359
Cc1ccc(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)cn(C)c4=O)nc23)cn1	CHEMBL3676091
CCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]	CHEMBL52983
Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1	CHEMBL3669788
Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1	CHEMBL1808893
CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3C)nc12	CHEMBL3676054
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-].[Br-].[Br-]	CHEMBL2368590
CN1[C@H](c2cccnc2)CC[C@@H]1C#N	CHEMBL84210
COCCNC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C)[C@H]1c1cccnc1	CHEMBL3475838
COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12	CHEMBL3657536
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCC[C@@H]2c2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C	CHEMBL2338711
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1	CHEMBL1921840
CN1CCC[C@]12CCc1ccncc12	CHEMBL2112670
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)o1	CHEMBL3679749
CN1CCC[C@@H]1c1ccc(Nc2cc(-c3cc(F)cc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1	CHEMBL3670119
COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3674810
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(C4CC4)n[nH]3)c2n1	CHEMBL3676104
CC(C)(CO)CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675999
CN/C(=C1\C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccc[nH]c1=O)C(C)C	CHEMBL3674777
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)nc1	CHEMBL3669759
CN1CCCC1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)nc1	CHEMBL3674294
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669785
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1	CHEMBL3986272
CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675988
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC4)c3n2)c1=O	CHEMBL3676092
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1	CHEMBL3669764
CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12	CHEMBL3676089
O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@H]3c3cccnc3)cccc2c1	CHEMBL3692144
CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2)c1.[Br-].[Br-]	CHEMBL238117
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OC(C)C)cc2)o1	CHEMBL3679745
COc1ccc(CN2C(=O)CCC2c2cccnc2)cc1	CHEMBL3126032
COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3674853
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncnc1	CHEMBL1808877
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1	CHEMBL3674761
CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(O)c1)c(C#N)c2N1CCOCC1	CHEMBL3589378
CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.I.[I-]	CHEMBL1322435
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N(C)C)cc2)s1	CHEMBL3679833
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1	CHEMBL1921841
C[N@@+]1(CC[N@@+]2(C)CCC[C@H]2c2cccnc2)CCC[C@@H]1c1cccnc1	CHEMBL1358826
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(CO)CO)c2n1	CHEMBL3676031
CN1C(=O)CC[C@H]1c1ccc[n+]([O-])c1	CHEMBL3544793
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCC#N)cc2)s1	CHEMBL3679836
CCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3674944
CN1CCC(CF)[C@H]1c1cccnc1	CHEMBL119016
CCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]	CHEMBL560190
CN1CC[C@@H]2CCc3ccncc3[C@@H]21	CHEMBL417278
CN1CCC[C@H]1c1ccc[n+]([O-])c1	CHEMBL3126025
CCCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]	CHEMBL300598
CN1CCC[C@H]1c1cccnc1.Cl	CHEMBL225057
COc1cncc(C2CCCN2C)c1	CHEMBL303530
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1179942
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](C)O)c2n1	CHEMBL3676027
CN1CCCC1c1ccc(/C=C/c2ccccc2)nc1	CHEMBL190678
CN1CCC[C@@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O	CHEMBL2062338
C=CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197178
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1.[Br-].[Br-].[Br-]	CHEMBL437574
CCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3679793
CN1CCC[C@H]1c1ccc(Nc2ncc3cc(Br)c(=O)n(C4CCCC4)c3n2)nc1	CHEMBL3990288
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1	CHEMBL3669816
CCCCCCCCCC[n+]1cccc2c1CC[C@]1(C)CCN(C)[C@]21C	CHEMBL1183842
O=C(C(Nc1ccccc1F)c1cc2ccccc2s1)N1CCCC1c1cccnc1	CHEMBL2348659
Cc1ccc2nc(CN3CCCC3c3cccnc3)cc(O)c2c1	CHEMBL3485916
C#Cc1cncc([C@H]2CCCN2C)c1	CHEMBL1788226
COCCOc1ncccc1C1C(C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3674965
Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cncs3)cn2)ccn1	CHEMBL1808894
C[N+]1(CC[N+]2(C)CCCC2c2cccnc2)CCCC1c1cccnc1	CHEMBL1978965
CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)O)C(=O)N1CCCC1c1cccnc1	CHEMBL158622
CC(C)(CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3676006
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2nc(Cl)cs2)c1	CHEMBL3943155
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1	CHEMBL3944177
CC(C)[C@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675996
O=C(Nc1ccccc1F)N1CCCC1c1cccnc1	CHEMBL1870182
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCCN3C)c2)c1	CHEMBL1194341
CC(C)[C@@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675995
O=C(N[C@@H]1CCC[C@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3676007
CN1C[C@H](C#N)C[C@H]1c1cccnc1	CHEMBL119352
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1	CHEMBL1808872
C[C@H](NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(F)(F)F	CHEMBL3676004
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1	CHEMBL3614077
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCO	CHEMBL3669809
CN1C(=O)CC[C@H]1c1cccnc1	CHEMBL578211
C#Cc1cncc([C@@H]2CCCN2C)c1	CHEMBL111659
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2ccccc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1182432
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1	CHEMBL3674872
C[C@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675989
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2ccccc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]	CHEMBL238769
CCCC[C@@H]1CC[C@@H](c2cccnc2)N1C	CHEMBL119574
CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]	CHEMBL550723
CCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL559109
O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1	CHEMBL4100810
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCS(=O)(=O)C1	CHEMBL1808882
CN1C[C@@H](CC#N)C[C@H]1c1cccnc1	CHEMBL334001
COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1	CHEMBL3674856
CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)(C)C)C2c2cccnc2OCCO)cc1	CHEMBL3669813
CCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3679834
CN1C(=O)C(C(=O)O)C[C@@H]1c1cccnc1	CHEMBL3126035
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1	CHEMBL3676029
CC(NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1CC1	CHEMBL3675987
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1	CHEMBL1185865
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1N1CCOCC1	CHEMBL3679789
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4O)c3n2)c1=O	CHEMBL3676096
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1179025
COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3679738
COCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669806
COc1ccc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12	CHEMBL3657535
CC(=O)O[C@H]1C[C@@H](c2cccnc2)N(C)C1	CHEMBL419230
Cc1cc(N2CCCC2c2cccnc2)nc(C)n1	CHEMBL3454373
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4(C)CC4)c3n2)c1=O	CHEMBL3676099
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c2ccccc12	CHEMBL4095563
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4cccnc4)c3n2)c1=O	CHEMBL3676093
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCC(N)=O	CHEMBL3669838
O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1CC(=O)N1CCCC1c1cccnc1	CHEMBL1923459
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)(C)C)c2n1	CHEMBL3676051
CN1CCCC1c1ccc(Cl)nc1	CHEMBL70050
CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@@H]21	CHEMBL21553
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)C1CCC1	CHEMBL1808900
COC[C@H]1C[C@@H](c2cccnc2)N(C)C1	CHEMBL119227
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccnc2)s1	CHEMBL1779603
CN1C(=O)[C@@H](C(N)=O)C[C@@H]1c1cccnc1	CHEMBL3126036
CCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C	CHEMBL1178973
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1	CHEMBL3669767
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1	CHEMBL3904952
COC(=O)N1CC[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21	CHEMBL224667
COc1ccncc1C1CCCN1C	CHEMBL370168
CCCc1cncc(C2CCCN2C)c1	CHEMBL382287
CN1CCCC1c1cccnc1.O=S(=O)(O)O	CHEMBL2142095
CCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]	CHEMBL559757
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1183837
COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3679783
CCCC[C@H]1CC[C@@H](c2cccnc2)N1C	CHEMBL119581
CC1(NC(=O)c2cnn3ccc(N4CCCC4c4cncc(F)c4)nc23)CCC1	CHEMBL3675976
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NC(C)C)cc2)s1	CHEMBL3679837
COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12	CHEMBL3657533
O=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1cccnc1	CHEMBL1353542
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cccc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1.[Br-].[Br-]	CHEMBL391220
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO	CHEMBL3669808
CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-]	CHEMBL105440
CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(O)c1)c(C#N)c2N1CCOCC1	CHEMBL3589375
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(O)CO)c2n1	CHEMBL3676020
CCN(C)C(=O)[C@H]1C[C@@](CC(C)C)(C(=O)OC)N(C)[C@H]1c1cccnc1	CHEMBL3475081
COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3674936
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1	CHEMBL3676056
CN1CCCC1c1ccc(F)nc1	CHEMBL72470
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1	CHEMBL3669807
CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675968
CN1CCC[C@@]1(O)c1cccnc1	CHEMBL3544720
CN1CCCC1c1ccc(CCCc2ccccc2)nc1	CHEMBL361703
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1	CHEMBL1808873
CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(OC)c1)c(C#N)c2N1CCOCC1	CHEMBL3589379
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1	CHEMBL3676053
CCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21	CHEMBL1179016
CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1179917
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(CO)CC3)c2n1	CHEMBL3676061
Cc1ncccc1C1CCCN1C	CHEMBL160034
COCC(C)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675992
c1cncc(C2CCCN2C2c3ccccc3Oc3ccccc32)c1	CHEMBL278775
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ncccc4C4CCCN4C)ccc3OCC)nc12	CHEMBL2047881
CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1	CHEMBL3676050
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO	CHEMBL3674760
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(C)(O)C3)c2n1	CHEMBL3676018
C=CC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]	CHEMBL558518
CC1(O)CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1	CHEMBL3675967
CCCCC#CCCCCCC[n+]1cccc(C2CCCN2C)c1	CHEMBL1198250
COC(=O)COCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669821
CN1CCCC1c1ccc(CCc2ccc(Cl)cc2)nc1	CHEMBL189470
COc1ncccc1C1C(C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3674964
CCCCCOc1ccc(C[C@H](NC(=O)C2CC(=O)N(C)C2c2cccnc2)C(=O)O)cc1	CHEMBL352062
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-]	CHEMBL320514
Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3N3CCOCC3)cc2)no1	CHEMBL3679788
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1	CHEMBL3676057
O=C1CC[C@]2(c3cccnc3)O[C@@H](COc3ccc(Cl)cc3)CN12	CHEMBL442410
COC(=O)N1CC[C@@H]2CCc3ccnc(Cl)c3[C@@H]21	CHEMBL374612
Cc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)[nH]n2)o1	CHEMBL3485246
C=CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL563663
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)c1=O	CHEMBL3676090
C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1	CHEMBL3676097
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC(CO)C1	CHEMBL3676001
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cncs1	CHEMBL1808899
CN1CCC[C@H]1c1ccc[n+]([BH2-]C#N)c1	CHEMBL282473
C=CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL561470
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]	CHEMBL3612360
CN1CCCC1c1cncc(C2CCCN2C)c1	CHEMBL3593860
c1cc2c(cn1)[C@H]1CCCN1CC2	CHEMBL3578315
O=C(NCCO)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675986
COCCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3679839
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1	CHEMBL3676028
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1	CHEMBL3674792
COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669826
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccncn1	CHEMBL1808876
CCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C	CHEMBL1179053
CSC[C@H]1C[C@@H](c2cccnc2)N(C)C1	CHEMBL119144
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NOCCOC(C)(C)C)c2n1	CHEMBL3676023
CN1CCCC1c1ccc(C(=O)O)nc1	CHEMBL370709
O=C(NCC1CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675980
C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1	CHEMBL3675997
CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]	CHEMBL538685
O=C(NOCCO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3Cl)nc12	CHEMBL3676087
CN1C(=O)CCC1c1cccnc1	CHEMBL664
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](O)CO)c2n1	CHEMBL3676021
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(N)=O)cc2)s1	CHEMBL3679831
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1	CHEMBL3955007
Cc1cc(C(=O)N2CCCC2c2ccc(-c3cccc(Cl)c3)nc2)no1	CHEMBL1808869
COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3674772
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1	CHEMBL3676063
CC(C)NC(=O)c1cnn2ccc(N3[C@H](CO)CC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3676080
CC(C)(CF)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12	CHEMBL3675956
CN1CCCC1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc(C5CCCN5C)c4)cc3)cc2)c1	CHEMBL1197966
O=C(NCC(F)CCl)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675972
C[C@H]1CC[C@@H](c2cccnc2)N1C	CHEMBL116645
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3679828
CN1CCCC1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c(sc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1	CHEMBL3670116
O=C(C1CCC1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1	CHEMBL1808871
COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1	CHEMBL3674886
CCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C	CHEMBL1183508
COCc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3674842
CN1CCCC1c1ccc(N)nc1	CHEMBL70774
CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1179042
O=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675947
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C(C)C)n3)c2n1	CHEMBL3676106
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1	CHEMBL3676002
CCNC(=O)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1	CHEMBL4064004
CCN1CCCC1c1cccnc1	CHEMBL163042
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccc(=O)[nH]c3)c2n1	CHEMBL3676032
COc1ccc(C2CCCN2C)cn1	CHEMBL292114
CCCCc1ccc(C2CCCN2C)cn1	CHEMBL320023
O=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3cccnc3)cccc2c1	CHEMBL3682681
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1	CHEMBL3676058
CCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197124
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCC1	CHEMBL1808881
Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1	CHEMBL1808892
CN1CCCC1c1ccc(CCc2ccccc2)nc1	CHEMBL190295
C=CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197241
O=C1CC[C@@H](c2cccnc2)N1CO	CHEMBL3544621
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1	CHEMBL3676055
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2n1	CHEMBL3676033
CN1CCCC1c1ccc(Br)nc1	CHEMBL58231
c1cc2c(cn1)[C@H]1N3CCC1(CC3)C2	CHEMBL2112676
CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1196877
NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)c(Cl)c1	CHEMBL1921843
CS(=O)(=O)N1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cncc(F)c4)nc23)CC1	CHEMBL3675945
CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1	CHEMBL3676068
O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@@H]3c3cccnc3)cccc2c1	CHEMBL3682682
C[C@@H]1CC[C@@H](c2cccnc2)N1C	CHEMBL118038
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@H](CO)C(C)(C)C)c3n2)c1=O	CHEMBL3676095
C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1	CHEMBL3675998
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CN4CCC3CC4)c2n1	CHEMBL3676065
Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1	CHEMBL1808890
c1cncc(C2CCCN2c2ccnc3[nH]ncc23)c1	CHEMBL4066892
O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC1c1cccnc1	CHEMBL560283
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669812
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cccc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1	CHEMBL1185135
O=C(C1CCC1)N1CCCC1c1cnc(-c2cccc(Cl)c2)cc1O	CHEMBL1808886
Cc1cc(C)nc(N2CCCC2c2cccnc2)n1	CHEMBL3436596
c1cc2c(cn1)[C@@H]1CCCN1CC2	CHEMBL3578316
CN1CCC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C	CHEMBL3114539
c1ccc(CN2CCCC2c2cccnc2)cc1	CHEMBL163552
Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1	CHEMBL1808891
CC(NC(=O)c1cnn2ccc(N3C(CO)CCC3c3cncc(F)c3)nc12)C(F)(F)F	CHEMBL3676078
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1	CHEMBL3669786
CNC(=O)COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669837
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3674791
CC1(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)CC1	CHEMBL3675966
CN1CCC(CO)[C@H]1c1cccnc1	CHEMBL325426
CCCCC/C=C/CCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197030
CN1CCC[C@@H]1c1cccnc1	CHEMBL9732
CC(=O)[C@H]1OC([n+]2cccc([C@@H]3CCC(=O)N3C)c2)[C@H](O)[C@@H](O)[C@@H]1O	CHEMBL3559662
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCC1	CHEMBL3675969
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)s1	CHEMBL3679827
CCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3674943
C[C@H](O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675983
C[C@@H](NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(F)(F)F	CHEMBL3676003
O=C(NCC(F)(F)F)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3676005
CN1C(=S)CC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C	CHEMBL3114536
c1cc2c(cn1)C1CCCN1CC2	CHEMBL3578314
CN1C[C@@H](CF)C[C@H]1c1cccnc1	CHEMBL116706
CC1(NC(=O)c2cnn3ccc(N4[C@H](CO)CC[C@@H]4c4cncc(F)c4)nc23)CC1	CHEMBL3676079
C=CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL561670
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]	CHEMBL3612361
Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1	CHEMBL3676049
O=C(N[C@@H]1CCCC[C@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3676010
CN1CCCC1c1cnc2cc3ccncc3cc2c1	CHEMBL61883
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1	CHEMBL1808875
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(CCO)CC3)c2n1	CHEMBL3676030
CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]	CHEMBL55606
CN1C(=[Se])CC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	CHEMBL3114540
C[N+]1([O-])CCC[C@H]1c1cccnc1	CHEMBL3544718
O=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1	CHEMBL1808870
CN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccnc1	CHEMBL2165407
CCCC/C=C/CC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL562649
Cn1cccc1-c1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1	CHEMBL3486928
Cc1cncc([C@@H]2CCC[N+]2(C)[O-])c1	CHEMBL3640778
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)C1CCC1	CHEMBL1808897
CC(C)(CF)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675946
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]	CHEMBL105342
CCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL3612356
CONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675948
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cnccn1	CHEMBL1806522
CN1[C@H](c2ccccc2)CC[C@H]1c1cccnc1	CHEMBL116998
O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCCC1	CHEMBL3676011
CCc1cncc(C2CCCN2C)c1	CHEMBL111526
CN1CCCC1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc(C5CCCN5C)c4)cc3)cc2)c1.[Br-].[Br-]	CHEMBL592152
CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL2368834
CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(OC)c1)c(C#N)c2N1CCOCC1	CHEMBL3589376
COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1	CHEMBL3674838
Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1	CHEMBL3676060
CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1179945
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1cccnc1OCCO	CHEMBL3669819
CCCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21	CHEMBL1179033
O=C(N[C@H]1CCC[C@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675978
O=C(N[C@@H]1CCC[C@@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3676009
CN1CCC[C@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O	CHEMBL1448280
CCCC/C=C\CC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL560330
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1	CHEMBL3679751
CCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]	CHEMBL54225
COC(=O)N1CC[C@@H]2C=Cc3cc(Cl)nc(Cl)c3[C@@H]21	CHEMBL374956
CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL3612357
CCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21	CHEMBL1185930
NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1	CHEMBL1921842
CN1C(=O)[C@H](O)C[C@@H]1c1cccnc1	CHEMBL3126034
CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-]	CHEMBL3612358
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1	CHEMBL3985834
O=C(NC1COC1)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1	CHEMBL4083992
CN1C[C@@H](O)C[C@H]1c1cccnc1	CHEMBL117339
C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1	CHEMBL3676098
CN1CC[C@H]2CCc3c(ccc[n+]3[BH2-]C#N)[C@H]21	CHEMBL277416
CCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197029
Nc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CCC3)c2n1	CHEMBL3676086
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)nc2)n2c1COCC2)c1ccccc1	CHEMBL4115509
CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1182431
CC(=O)N1CCCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1	CHEMBL3900434
CN1CCCC1c1cncc(F)c1	CHEMBL62128
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1	CHEMBL3679737
C[C@H]1C[C@@H](c2cccnc2)N(C)C1	CHEMBL432837
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1nccs1	CHEMBL1808896
CN1CCC[C@@]12CCc1ccncc12	CHEMBL2111861
Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cncs1	CHEMBL1808888
CN1CCC[C@@H]1c1cccnc1.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1	CHEMBL2448607
O=C(C(Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCCC1c1cccnc1	CHEMBL2348671
CN1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1	CHEMBL3544704
CC(C)NC(=O)c1cnn2ccc(N3[C@@H](c4cncc(F)c4)CC[C@@]3(C)CO)nc12	CHEMBL3676084
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1	CHEMBL3669766
CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]	CHEMBL56296
COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCC1	CHEMBL1808885
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)C1c1cccnc1OCCO	CHEMBL3669814
CN1C[C@@H](OS(C)(=O)=O)C[C@H]1c1cccnc1	CHEMBL119186
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCO)c2n1	CHEMBL3676019
C[N@@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1	CHEMBL1318824
CN1C(=[Se])CC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C	CHEMBL3114535
COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3674905
COC(=O)N1CC[C@@H]2CCc3ccncc3[C@@H]21	CHEMBL224871
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1185546
Cn1cc(NC(=O)N2CCCC2c2cccnc2)ccc1=O	CHEMBL3453894
CN1C(=O)[C@H](O)C[C@H]1c1cccnc1	CHEMBL1614639
O=C(Nc1ccc(F)cn1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675970
CN1CCCC1c1cncc(Cl)c1	CHEMBL61013
CCCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-]	CHEMBL55211
Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1nccs1	CHEMBL1808901
COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1	CHEMBL1808884
O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC1c1cccnc1	CHEMBL3474057
CCCc1ccc(C2CCCN2C)cn1	CHEMBL103537
O=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1	CHEMBL1808868
O=C(N[C@H]1CCC[C@@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675977
CNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3679832
Cc1ccc(Nc2ncc(C3CCCN3C(=O)c3nccs3)cc2Cl)cn1	CHEMBL3600431
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC1c1cccnc1	CHEMBL2336227
O=C(NC1(CO)CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675981
CCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-]	CHEMBL52088
COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1	CHEMBL3674875
NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12	CHEMBL3675957
CCc1ccc(C2CCCN2C)cn1	CHEMBL103225
CC1CCN(C)[C@@H]1c1cccnc1	CHEMBL119019
CC(C)(C#N)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675944
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-]	CHEMBL106542
CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-]	CHEMBL238768
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1	CHEMBL3676025
CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]	CHEMBL293527
CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1183372
COCCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1	CHEMBL3679840
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)C1c1cccnc1OCCO	CHEMBL3674756
Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1	CHEMBL3669787
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCCO	CHEMBL3679825
O=C(NC1(C(F)(F)F)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3675973
Cc1ncsc1CCC(=O)N1CCCC1c1cccnc1	CHEMBL3476252
Cc1ncc(C2CCCN2C)c2c1[nH]c1ccccc12	CHEMBL500286
CCCC/C=C\CC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197132
CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-].[Br-].[Br-]	CHEMBL449337
COCC1CCN(C)[C@@H]1c1cccnc1	CHEMBL119020
Cc1ccc(C2CCCN2C)cn1	CHEMBL294757
CCCCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1197164
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	CHEMBL1179963
C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1	CHEMBL4297627
CN1CCC2CCc3ccncc3C21	CHEMBL324227
CCO.CN1CCC[C@H]1c1cccnc1	CHEMBL3137669
O=C(NC1CCC(O)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3902802
c1cncc(C2C3CCN2CC3)c1	CHEMBL130814
O=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1	CHEMBL1808866
CN1CC[C@H]2CCc3ncccc3[C@H]21	CHEMBL281410
Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1	CHEMBL1808889
Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1cnccn1	CHEMBL1808898
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1	CHEMBL3614076
CN1C2CCc3ccncc3C1CC2	CHEMBL423579
CN1C(=S)CC[C@H]1c1cccnc1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	CHEMBL3114537
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC(O)CC4)c3n2)c1=O	CHEMBL3937419
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3679824
CCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21	CHEMBL1185506
COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1	CHEMBL3679787
NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12	CHEMBL3675991
CN1C(=[Se])CC[C@H]1c1cccnc1	CHEMBL3114542
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CC(=O)N(C)C1	CHEMBL1808883
CN1CCCC1c1cccnc1Cl	CHEMBL71112
Cc1cc(C(=O)N2CCCC2c2cnc(-c3cccc(Cl)c3)cc2C)no1	CHEMBL1808874
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCC(=O)O	CHEMBL3669834
C#Cc1cncc([C@@H]2CCCN2C)c1.O=C(O)/C=C/C(=O)O	CHEMBL2146093
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1	CHEMBL3669765
CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	CHEMBL1189396
CCN1C(=O)CCC1c1cccnc1	CHEMBL3126031
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCO	CHEMBL3669817
CCCCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL561389
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1	CHEMBL3669796
CN1CCC[C@H]1c1cccnc1.CN1CCC[C@H]1c1cccnc1.O=S(=O)(O)O	CHEMBL3182465
CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-]	CHEMBL558517
COc1ccc(C(C)(C)C)cc1CN[C@@H]1[C@H](c2cccnc2N(C)C)N(C(=O)C2CCCCC2)[C@H](C(=O)O)[C@H]1C(C)(C)C	CHEMBL4176858
COC1CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1	CHEMBL3675971
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1	CHEMBL3679830
CN1CCCC1c1cnc2ccccc2c1	CHEMBL161944
Cc1cncc(C2CCCN2C)c1	CHEMBL364003
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1	CHEMBL3926444
CCCCC/C=C/CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]	CHEMBL559110
CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1	CHEMBL3676067
COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCNC(=O)OC(C)(C)C)c2n1	CHEMBL3676015
O=C(NCC(F)F)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12	CHEMBL3676008