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comparison test-data/out3.smi @ 3:8b6ba267714b draft

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"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 515aded04abf81089ebecf6fc6841447bd519b2f"
author bgruening
date Wed, 01 Apr 2020 07:04:25 -0400
parents f56492688f43
children 1ade252ebe08
comparison
equal deleted inserted replaced
2:f56492688f43 3:8b6ba267714b
1 COc1ncc(cc1c2ncc(cc2[C@@H]3CC[C@H]4[C@H](OC(=O)N34)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C(F)(F)F)c6ccc(cc6C)C(=O)O CHEMBL3657536 1 CN1CCCC1c1cnccc1N CHEMBL193763
2 CN1CCC[C@@]1(O)c2cccnc2 CHEMBL3544720 2 CC(C)(CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676006
3 CN1CCC[C@H]1c2ccc[n+](CCCC#Cc3cc(cc(c3)C#CCCC[n+]4cccc(c4)[C@@H]5CCCN5C)C#CCCC[n+]6cccc(c6)[C@@H]7CCCN7C)c2 CHEMBL1185865 3 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
4 CN1CCC[C@H]1c2ccc[n+](CCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2 CHEMBL1179917 4 CN1CCCC1c1ccc(Br)nc1 CHEMBL58231
5 CN1C[C@@H](Cc2ccccc2)C[C@H]1c3cccnc3 CHEMBL420694 5 CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1 CHEMBL3614072
6 CC1CCN(C)[C@@H]1c2cccnc2 CHEMBL119019 6 CN1[C@H](c2cccnc2)CC[C@@H]1c1ccccc1 CHEMBL443018
7 C[C@H]1C[C@H](N(C)C1)c2cccnc2 CHEMBL432837 7 O=C(N[C@@H]1CCC[C@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676007
8 CN1C(=O)CC[C@@]1(O)c2cccnc2 CHEMBL3544599 8 COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674905
9 C[C@@H]1CC[C@H](N1C)c2cccnc2 CHEMBL118038 9 CC1(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)CC1 CHEMBL3675966
10 CO[C@H]1C[C@H](N(C)C1)c2cccnc2 CHEMBL326597 10 CS(=O)(=O)N1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cncc(F)c4)nc23)CC1 CHEMBL3675945
11 CCCC[C@@H]1CC[C@H](N1C)c2cccnc2 CHEMBL119574 11 CN1CCCC1c1cccnc1 CHEMBL440464
12 CN1[C@@H](CCC1=O)c2ccc[n+]([O-])c2 CHEMBL3544793 12 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL420649
13 CN1C[C@@H](CF)C[C@H]1c2cccnc2 CHEMBL116706 13 O=C(N[C@@H]1C2CC[C@@H](C2)[C@@H]1CO)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3676012
14 CN1C[C@@H](CO)C[C@H]1c2cccnc2 CHEMBL118849 14 O=C(N[C@H]1CC[C@H](O)C1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675979
15 CN1C[C@@H](O)C[C@H]1c2cccnc2 CHEMBL117339 15 CN1C(=O)[C@@H](C(N)=O)C[C@@H]1c1cccnc1 CHEMBL3126036
16 CC[C@H]1C[C@H](N(C)C1)c2cccnc2 CHEMBL115793 16 CCCCC/C=C/CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL559110
17 CN1CCC[C@H]1c2cncc(c2)C#C CHEMBL111659 17 C[N@@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 CHEMBL1318824
18 CN1CCC(CO)[C@H]1c2cccnc2 CHEMBL325426 18 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2[C@H](C)CN3C CHEMBL2409141
19 CN1CC[C@H]2CCc3ncccc3[C@@H]12 CHEMBL281410 19 CC1CN(C)[C@H](c2cccnc2)C1C CHEMBL334222
20 CN1[C@@H](CC[C@@H]1c2ccccc2)c3cccnc3 CHEMBL443018 20 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
21 CN1CCC[C@H]1c2ccc[n+](CCCCc3ccc(CCCC[n+]4cccc(c4)[C@@H]5CCCN5C)cc3)c2 CHEMBL1182422 21 c1cc2c(cn1)[C@@H]1N3CCC1(CC3)C2 CHEMBL2111859
22 CN1CCC[C@H]1c2ccc[n+](c2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O CHEMBL3544704 22 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1Cl CHEMBL3674784
23 CN1[C@@H](CCC1=O)c2ccc[n+](c2)C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)C CHEMBL3559662 23 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 CHEMBL3674792
24 CN1CCC[C@H]1c2ccc[n+](CCCCCc3ccccc3CCCCC[n+]4cccc(c4)[C@@H]5CCCN5C)c2 CHEMBL1182431 24 COc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)Nc3cc(C)n[nH]3)c2n1 CHEMBL3676102
25 COC[C@H]1C[C@H](N(C)C1)c2cccnc2 CHEMBL119227 25 COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669826
26 CN1C[C@H](CO)C[C@H]1c2cccnc2 CHEMBL434607 26 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1cccnc1OCCO CHEMBL3669819
27 CCCCCCCCCC[n+]1cccc(c1)[C@@H]2CCCN2C CHEMBL1179042 27 C=CC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL558518
28 CCCCCCCCCC[n+]1cccc2c1CC[C@]3(C)CCN(C)[C@]23C CHEMBL1183842 28 CCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1185915
29 CN1[C@H](CC[C@H]1c2cccnc2)C#N CHEMBL84210 29 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 CHEMBL3669795
30 CN1C[C@@H](C[C@H]1c2cccnc2)C#N CHEMBL119352 30 CN1CCCC1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)nc1 CHEMBL3674294
31 COc1ccc(cc1c2ncc(cc2[C@@H]3CC[C@H]4[C@H](OC(=O)N34)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C(F)(F)F)c6c(C)cc(cc6C)C(=O)O CHEMBL3657535 31 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-] CHEMBL3612361
32 CCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12 CHEMBL1185506 32 CCCCc1ccc(C2CCCN2C)cn1 CHEMBL320023
33 CCCCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12 CHEMBL1179033 33 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO CHEMBL3674760
34 CN1[C@@H](CCC1=O)c2ccc[n+](C)c2 CHEMBL3544791 34 CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-] CHEMBL105440
35 CN1CCC[C@H]1c2ccc[n+](CCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2 CHEMBL1179945 35 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)OC(C)C)cc2)s1 CHEMBL3679770
36 CN1[C@@H](CCC1=O)c2cccnc2 CHEMBL578211 36 CCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197124
37 CN1[C@@H](CC[C@H]1c2cccnc2)C#N CHEMBL81899 37 CCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL3614075
38 C[C@H]1CC[C@H](N1C)c2cccnc2 CHEMBL116645 38 Cc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)[nH]n2)o1 CHEMBL3485246
39 CC1CN(C)[C@@H](C1C)c2cccnc2 CHEMBL334222 39 CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-] CHEMBL104461
40 CSC[C@H]1C[C@H](N(C)C1)c2cccnc2 CHEMBL119144 40 CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12 CHEMBL3676024
41 CN1CCC[C@H]1c2cccnc2 CHEMBL3 41 Cc1cncc(C2CCCN2C)c1 CHEMBL364003
42 CN1CCC[C@H]1c2ccc[n+](CCCCCCCCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2 CHEMBL1179025 42 CC1(O)CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1 CHEMBL3675967
43 CN1CC[C@H]2CCc3c(ccc[n+]3[BH2-]C#N)[C@@H]12 CHEMBL277416 43 CN1CCC[C@H]1c1ccc(Nc2ncc3cc(Br)c(=O)n(C4CCCC4)c3n2)nc1 CHEMBL3990288
44 CN1CCC[C@H]1c2ccc[n+](CCCC#Cc3cccc(c3)C#CCCC[n+]4cccc(c4)[C@@H]5CCCN5C)c2 CHEMBL1185135 44 CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL55606
45 COCCOc1ncccc1[C@@H]2C(C(=O)C(C)C)C(=O)C(=O)N2c3ccc(cc3)c4ccsc4 CHEMBL3674905 45 COc1ncccc1C1C(C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674964
46 C[N+]1([O-])CCC[C@H]1c2cccnc2 CHEMBL3544718 46 CC[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL115793
47 CN1C[C@H](C[C@H]1c2cccnc2)OS(=O)(=O)C CHEMBL119186 47 CCNC(=O)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1 CHEMBL4064004
48 CN1CCC[C@H]1c2ccc[n+](CCCC#Cc3ccccc3C#CCCC[n+]4cccc(c4)[C@@H]5CCCN5C)c2 CHEMBL1182432 48 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1183837
49 CCCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12 CHEMBL1185915 49 CCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674943
50 CN1CCC[C@H]1c2ccc[n+](CCCCCc3cc(CCCCC[n+]4cccc(c4)[C@@H]5CCCN5C)cc(CCCCC[n+]6cccc(c6)[C@@H]7CCCN7C)c3)c2 CHEMBL1182507 50 CCCCC#CCCCCCC[n+]1cccc(C2CCCN2C)c1.[Br-] CHEMBL599540
51 CN1CCC[C@H]1c2ccc[n+](CCCCCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2 CHEMBL1179942 51 C#Cc1cncc([C@@H]2CCCN2C)c1 CHEMBL111659
52 Cc1cncc(c1)[C@@H]2CCC[N+]2(C)[O-] CHEMBL3640778 52 CCCCCCCCCC[n+]1cccc2c1CC[C@]1(C)CCN(C)[C@]21C CHEMBL1183842
53 O=S(=O)(Nc1ncns1)c2ccc3c(cccc3c2)N4CCC[C@H]4c5cccnc5 CHEMBL3692144 53 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 CHEMBL3674872
54 CCCC[C@H]1CC[C@H](N1C)c2cccnc2 CHEMBL119581 54 COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(C5CCCN5C)cn4)c3c2)cc(Cl)c1O CHEMBL3674295
55 CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]2CCCN2C CHEMBL1179038 55 CC(C)NC(=O)c1cnn2ccc(N3[C@H](CO)CC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676080
56 CN1CCC[C@H]1c2ccc[n+]([BH2-]C#N)c2 CHEMBL282473 56 O=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808866
57 COCC1CCN(C)[C@@H]1c2cccnc2 CHEMBL119020 57 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](O)CO)c2n1 CHEMBL3676021
58 CN1CCC[C@H]1c2ccc[n+](CCCCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2 CHEMBL1179963 58 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL105342
59 CCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12 CHEMBL1185930 59 O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCCC4c4cccnc4)nc23)N1 CHEMBL3984229
60 CN1CCC(CF)[C@H]1c2cccnc2 CHEMBL119016 60 CN1C(=O)CC[C@H]1c1ccc[n+]([O-])c1 CHEMBL3544793
61 CN1[C@@H](CC[C@H]1c2cccnc2)c3ccccc3 CHEMBL116998 61 Cn1cc(NC(=O)N2CCCC2c2cccnc2)ccc1=O CHEMBL3453894
62 C[N@+]1(CC[N@+]2(C)CCC[C@@H]2c3cccnc3)CCC[C@H]1c4cccnc4 CHEMBL1358826 62 CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL538685
63 CN1[C@@H](C[C@@H](OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C1=O)c3cccnc3 CHEMBL3544598 63 O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675929
64 CN1C[C@@H](CC#N)C[C@H]1c2cccnc2 CHEMBL334001 64 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 CHEMBL3676049
65 OCN1[C@@H](CCC1=O)c2cccnc2 CHEMBL3544621 65 O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1 CHEMBL3944177
66 COCCOc1ncccc1[C@@H]2C(C(=O)C(C)C)C(=O)C(=O)N2c3ccc(cc3)c4ccc(C)s4 CHEMBL3679738 66 COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679738
67 Clc1ccc(OC[C@@H]2CN3C(=O)CC[C@@]3(O2)c4cccnc4)cc1 CHEMBL343159 67 CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1183372
68 CN1CCC[C@H]1c2ccc[n+](CCCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2 CHEMBL1183837 68 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NC(C)C)cc2)s1 CHEMBL3679837
69 COc1ncc(cc1c2ncc(cc2[C@@H]3CC[C@H]4[C@H](OC(=O)N34)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C(F)(F)F)c6c(C)cc(cc6C)C(=O)O CHEMBL3657533 69 C=CS(=O)(=O)[C@H]1C[C@]2(C(=O)OC)CCC(=O)N2[C@H]1c1cccnc1 CHEMBL493120
70 CN1C[C@H](C[C@H]1c2cccnc2)OC(=O)C CHEMBL419230 70 C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1 CHEMBL4297627
71 CCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12 CHEMBL1179016 71 CCO.CN1CCC[C@H]1c1cccnc1 CHEMBL3137669
72 Clc1ccc(OC[C@H]2CN3C(=O)CC[C@@]3(O2)c4cccnc4)cc1 CHEMBL442410 72 CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1 CHEMBL3971680
73 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
74 CN1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1 CHEMBL3544704
75 CC(C)(CO)CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675999
76 COc1ccc(CN2C(=O)CCC2c2cccnc2)cc1 CHEMBL3126032
77 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
78 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
79 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCC1 CHEMBL1808881
80 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2nc(Cl)cs2)c1 CHEMBL3943155
81 COC(=O)N1CC[C@@H]2CCc3ccncc3[C@@H]21 CHEMBL224871
82 CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1 CHEMBL3676068
83 CC(C)(C#N)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675944
84 CN1CCCC1c1cccnc1.O=S(=O)(O)O CHEMBL2142095
85 CN1C(=O)[C@@H](O)C[C@@H]1c1cccnc1 CHEMBL3126033
86 CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675930
87 O=C(N[C@@H]1CCC[C@@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676009
88 CCN(C)C(=O)[C@H]1C[C@@](CC(C)C)(C(=O)OC)N(C)[C@H]1c1cccnc1 CHEMBL3475081
89 Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 CHEMBL3669788
90 CC1(NC(=O)c2cnn3ccc(N4[C@H](CO)CC[C@@H]4c4cncc(F)c4)nc23)CC1 CHEMBL3676079
91 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
92 Cc1ncsc1CCC(=O)N1CCCC1c1cccnc1 CHEMBL3476252
93 CN1C(=O)CCC1c1cccnc1 CHEMBL664
94 CCN1CCCC1c1cccnc1 CHEMBL163042
95 C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1 CHEMBL3676098
96 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
97 CCCc1ccc(C2CCCN2C)cn1 CHEMBL103537
98 c1cncc(C2CCCN2C2c3ccccc3Oc3ccccc32)c1 CHEMBL278775
99 CCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL441186
100 COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674772
101 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N3CCCC3)cc2)s1 CHEMBL3679838
102 CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)O)C(=O)N1CCCC1c1cccnc1 CHEMBL158622
103 O=C(NC1(CO)CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675981
104 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(O)CO)c2n1 CHEMBL3676020
105 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 CHEMBL3679737
106 C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1 CHEMBL3676097
107 CN1C[C@@H](OS(C)(=O)=O)C[C@H]1c1cccnc1 CHEMBL119186
108 CCCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1183493
109 CN1CC[C@H]2CCc3c(ccc[n+]3[BH2-]C#N)[C@H]21 CHEMBL277416
110 CN1CCC2CCc3ccncc3C21 CHEMBL324227
111 CCCC/C=C/CC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL562649
112 CN1CCCC1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c(sc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 CHEMBL3670116
113 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3669767
114 CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL293527
115 CC1(NC(=O)c2cnn3ccc(N4CCCC4c4cncc(F)c4)nc23)CCC1 CHEMBL3675976
116 COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674810
117 C[C@H](NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(F)(F)F CHEMBL3676004
118 O=C(N[C@@H]1CCCC[C@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676010
119 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CN4CCC3CC4)c2n1 CHEMBL3676065
120 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL54826
121 CCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL57108
122 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3674791
123 O=C(NC1(C(F)(F)F)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675973
124 CC1CCN(C)[C@@H]1c1cccnc1 CHEMBL119019
125 O=C(NCC(F)CCl)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675972
126 CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675988
127 CN1CCCC1c1ccc(C(=O)O)nc1 CHEMBL370709
128 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 CHEMBL3679751
129 O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC1c1cccnc1 CHEMBL560283
130 CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 CHEMBL3676050
131 CN1CCC[C@H]1c1ccc(Nc2ncc3cc(Br)c(=O)n(C4CCCC4)c3n2)nc1.Cl CHEMBL3972301
132 CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1194306
133 CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2ccccc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL238769
134 O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@@H]3c3cccnc3)cccc2c1 CHEMBL3682682
135 CN1CCCC1c1ccc(CC(O)c2ccccc2)nc1 CHEMBL363379
136 COc1ccncc1C1CCCN1C CHEMBL370168
137 c1ccc(CN2CCCC2c2cccnc2)cc1 CHEMBL163552
138 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3679824
139 CCCCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197164
140 COCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12 CHEMBL3676059
141 CN1CCCC1c1ccc(-c2ccccc2)nc1 CHEMBL350748
142 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 CHEMBL3669816
143 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(C)(O)C3)c2n1 CHEMBL3676018
144 O=C(NCC(F)F)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676008
145 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)(C)C)c2n1 CHEMBL3676051
146 Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1 CHEMBL1808889
147 C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1 CHEMBL3675997
148 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669785
149 O=C(NCCO)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675986
150 CCc1cc(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)cnc4OC)nc23)[nH]n1 CHEMBL3676105
151 CN1CCC[C@H]1c1cccnc1.Cl CHEMBL225057
152 C[C@@H]1CC[C@@H](c2cccnc2)N1C CHEMBL118038
153 CN1CCCC1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc(C5CCCN5C)c4)cc3)cc2)c1.[Br-].[Br-] CHEMBL592152
154 CN1CCCC1c1ccc(CCCc2ccccc2)nc1 CHEMBL361703
155 CNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679832
156 O=C(NC1CCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675975
157 CN1C[C@@H](CC#N)C[C@H]1c1cccnc1 CHEMBL334001
158 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4ccc(F)cn4)c3n2)c1=O CHEMBL3676101
159 CCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL52983
160 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)o1 CHEMBL3679749
161 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3679826
162 COc1cncc(C2CCCN2C)c1 CHEMBL303530
163 COC1CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1 CHEMBL3675971
164 O=C(NCC(F)(F)F)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676005
165 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 CHEMBL3676053
166 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 CHEMBL3669766
167 C[C@@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675990
168 CCCC[C@H]1CC[C@@H](c2cccnc2)N1C CHEMBL119581
169 C[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL432837
170 O=C(NC1COC1)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1 CHEMBL4083992
171 NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1 CHEMBL1921841
172 Cc1ccc(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)cn(C)c4=O)nc23)cn1 CHEMBL3676091
173 CN1CCC[C@@H]1c1cccnc1.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1 CHEMBL2448607
174 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669765
175 CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1182431
176 CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL56296
177 CCOc1ccc(N2C(=O)C3=NCCNC(c4ccc(Cl)cc4)=C3C2c2cccnc2)cc1 CHEMBL1325781
178 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 CHEMBL3985834
179 CN1CCC[C@H]1c1ccc[n+](C)c1.[I-] CHEMBL541771
180 CN1C(=S)CC[C@H]1c1cccnc1 CHEMBL3114543
181 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
182 CC(C)(CF)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675946
183 CCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL559757
184 O=C(C1CCC1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808871
185 CN1C[C@@H](Cc2ccccc2)C[C@H]1c1cccnc1 CHEMBL420694
186 COCc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674842
187 CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1196877
188 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
189 CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675968
190 NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c2ccccc12 CHEMBL4095563
191 CCCc1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1 CHEMBL3486295
192 C=CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL563663
193 CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cccc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1 CHEMBL1185135
194 CN1C(=O)C(C(=O)O)C[C@@H]1c1cccnc1 CHEMBL3126035
195 CC(=O)[C@H]1OC([n+]2cccc([C@@H]3CCC(=O)N3C)c2)[C@H](O)[C@@H](O)[C@@H]1O CHEMBL3559662
196 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cncs1 CHEMBL1808899
197 CCN1C(=O)CCC1c1cccnc1 CHEMBL3126031
198 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1 CHEMBL3904952
199 CCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3679781
200 CC(C)(O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675985
201 CCCC/C=C\CC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL560330
202 CCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674944
203 CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL558517
204 CC(NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1CC1 CHEMBL3675987
205 CCCCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL561389
206 CN1CCCC1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc(C5CCCN5C)c4)cc3)cc2)c1 CHEMBL1197966
207 COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808884
208 CN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccnc1 CHEMBL2165407
209 C[C@H]1CC[C@@H](c2cccnc2)N1C CHEMBL116645
210 Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808888
211 CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3C)nc12 CHEMBL3676054
212 O=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808870
213 Nc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CCC3)c2n1 CHEMBL3676086
214 CO[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL326597
215 O=C1CC[C@@H](c2cccnc2)N1CO CHEMBL3544621
216 c1cncc(C2C3CCN2CC3)c1 CHEMBL130814
217 CCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1183508
218 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
219 CN1CCC[C@]12CCc1ccncc12 CHEMBL2112670
220 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1cnccn1 CHEMBL1808898
221 CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)nc2)n2c1COCC2)c1ccccc1 CHEMBL4115509
222 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 CHEMBL3676025
223 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)C1CCC1 CHEMBL1808900
224 C[N+]1(CC[N+]2(C)CCCC2c2cccnc2)CCCC1c1cccnc1 CHEMBL1978965
225 O=C(NC1CCC(O)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3902802
226 CC(C)(CF)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675956
227 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCS(=O)(=O)C1 CHEMBL1808882
228 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179025
229 CN1[C@H](C#N)CC[C@H]1c1cccnc1 CHEMBL81899
230 CN1CCCC1c1ccc(/C=C/c2ccccc2)nc1 CHEMBL190678
231 O=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808868
232 CN1C[C@@H](CO)C[C@H]1c1cccnc1 CHEMBL118849
233 CN1CCCC1c1ccc(O)nc1 CHEMBL72010
234 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCC(=O)O CHEMBL3669834
235 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OC(C)C)cc2)o1 CHEMBL3679745
236 COCC(O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675993
237 CN1CCC[C@@H]1c1cccnc1 CHEMBL9732
238 CN1CCCC1c1ccc(Cl)nc1 CHEMBL70050
239 CSC[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL119144
240 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCO)c2n1 CHEMBL3676019
241 CN1CCCC1c1cncc(F)c1 CHEMBL62128
242 CC(=O)N1CCCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 CHEMBL3900434
243 COC(=O)N1CC[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21 CHEMBL224667
244 CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO CHEMBL3669808
245 COC(=O)COCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669821
246 CN1C(=O)CC[C@@]1(O)c1cccnc1 CHEMBL3544599
247 CC(C)(C)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675955
248 Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1 CHEMBL1808893
249 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1 CHEMBL3676002
250 O=C(NC1CC1)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675954
251 O=C(N[C@H]1CCC[C@@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675977
252 O=C(N[C@H]1CCC[C@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675978
253 CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cccc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1.[Br-].[Br-] CHEMBL391220
254 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1185546
255 C=CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197169
256 CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(O)c1)c(C#N)c2N1CCOCC1 CHEMBL3589378
257 O=C(c1cc2c([nH]c1=O)CCC2)N1CCCC1c1cccnc1 CHEMBL3458802
258 O=C(Nc1ccccc1F)N1CCCC1c1cccnc1 CHEMBL1870182
259 COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 CHEMBL3679786
260 CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179917
261 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(CCO)CC3)c2n1 CHEMBL3676030
262 C=CC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1196878
263 CCCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1179033
264 CN1C[C@@H](O)C[C@H]1c1cccnc1 CHEMBL117339
265 CCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1185930
266 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NOCCOC(C)(C)C)c2n1 CHEMBL3676023
267 NCCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12 CHEMBL3676016
268 COCc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669833
269 CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(O)c1)c(C#N)c2N1CCOCC1 CHEMBL3589375
270 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCCO CHEMBL3679825
271 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 CHEMBL3676056
272 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCO CHEMBL3669817
273 CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ncccc4C4CCCN4C)ccc3OCC)nc12 CHEMBL2047881
274 CC(NC(=O)c1cnn2ccc(N3C(c4cncc(F)c4)CCC3(C)CO)nc12)C(F)(F)F CHEMBL3676085
275 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179963
276 CNC(=O)COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669837
277 COc1ccc(C2CCCN2C)cn1 CHEMBL292114
278 Cc1cc(C)nc(N2CCCC2c2cccnc2)n1 CHEMBL3436596
279 CN1CCC[C@H]1c1cccnc1 CHEMBL3
280 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1N1CCOCC1 CHEMBL3679789
281 CN1[C@H](c2ccccc2)CC[C@H]1c1cccnc1 CHEMBL116998
282 CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12 CHEMBL3676069
283 CN1CCC[C@H]1c1ccc[n+](Cc2ccccc2)c1 CHEMBL1197228
284 COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3674853
285 CC(=O)O[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL419230
286 Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 CHEMBL3669787
287 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1 CHEMBL3676029
288 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
289 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 CHEMBL3669796
290 CCCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL55211
291 CN1CC[C@@H]2CCc3ccncc3[C@@H]21 CHEMBL417278
292 COC(=O)N1CC[C@@H]2CCc3ccnc(Cl)c3[C@@H]21 CHEMBL374612
293 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 CHEMBL3676026
294 O=CN1CCC[C@H]1c1cccnc1 CHEMBL3126024
295 CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12 CHEMBL3676089
296 C=CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197241
297 CN1CCC[C@@]12CCc1ccncc12 CHEMBL2111861
298 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccncc1 CHEMBL1808880
299 NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675957
300 CN1CC[C@H]2CCc3ncccc3[C@H]21 CHEMBL281410
301 Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808892
302 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)C1CCC1 CHEMBL1808897
303 CCCC/C=C\CC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197132
304 COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 CHEMBL3674838
305 CN1CCCC1c1ccc(F)nc1 CHEMBL72470
306 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 CHEMBL3926444
307 CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-] CHEMBL3612359
308 NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)c(Cl)c1 CHEMBL1921843
309 Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1nccs1 CHEMBL1808901
310 CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2ccccc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1182432
311 COCC(C)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675992
312 NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1 CHEMBL1921840
313 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(CO)CC3)c2n1 CHEMBL3676061
314 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3674761
315 CCCCC/C=C/CCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197030
316 CN1CCC[C@H]1c1cccnc1.CN1CCC[C@H]1c1cccnc1.O=S(=O)(O)O CHEMBL3182465
317 CCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1178992
318 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4O)c3n2)c1=O CHEMBL3676096
319 c1cc2c(cn1)[C@H]1N3CCC1(CC3)C2 CHEMBL2112676
320 CCCCCOc1ccc(C[C@H](NC(=O)C2CC(=O)N(C)C2c2cccnc2)C(=O)O)cc1 CHEMBL352062
321 CN1CCC[C@H]1c1ccc[n+](Cc2ccccc2)c1.[Br-] CHEMBL563268
322 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NCC4CC4)c3n2)c1=O CHEMBL3676094
323 CN1CCC[C@H]1c1ccc[n+]([BH2-]C#N)c1 CHEMBL282473
324 CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL550723
325 O=C(C(Nc1ccccc1F)c1cc2ccccc2s1)N1CCCC1c1cccnc1 CHEMBL2348659
326 c1cc2c(cn1)[C@@H]1CCCN1CC2 CHEMBL3578316
327 CCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679793
328 CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL238768
329 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)nc1 CHEMBL3669770
330 Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccnc2)s1 CHEMBL1779603
331 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(N)=O)cc2)s1 CHEMBL3679831
332 CN1CCCC1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)nc1 CHEMBL3674296
333 CCCC[C@@H]1CC[C@@H](c2cccnc2)N1C CHEMBL119574
334 COc1ccc(CCc2ccc(C3CCCN3C)cn2)cc1 CHEMBL190652
335 CN1CCCC1c1cncc(C2CCCN2C)c1 CHEMBL3593860
336 O=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675947
337 O=C(C(Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCCC1c1cccnc1 CHEMBL2348671
338 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1 CHEMBL3676058
339 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)o1 CHEMBL3679744
340 CCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1178973
341 CCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1185506
342 CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCO CHEMBL3669809
343 CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(OC)c1)c(C#N)c2N1CCOCC1 CHEMBL3589376
344 CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2)c1.[Br-].[Br-] CHEMBL238117
345 CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 CHEMBL3676067
346 CN1[C@H](c2cccnc2)CC[C@@H]1C#N CHEMBL84210
347 COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 CHEMBL3674886
348 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCC1 CHEMBL3675969
349 O=C(NOCCO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3Cl)nc12 CHEMBL3676087
350 C=CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL561470
351 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](O)CO)c2n1 CHEMBL3676017
352 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@@H]3CCC[C@H]3O)c2n1 CHEMBL3676064
353 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 CHEMBL3669735
354 CN1C[C@H](C#N)C[C@H]1c1cccnc1 CHEMBL119352
355 CN1C(=O)[C@H](O)C[C@H]1c1cccnc1 CHEMBL1614639
356 c1cc2c(cn1)C1N3CCCC1(CC3)C2 CHEMBL335828
357 CCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL3612356
358 CN1CCCC1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c(sc6c5CCCC6)C4=O)c3CO)cn(C)c2=O)nc1 CHEMBL3670117
359 CN1CCC[C@H]1c1ccc[n+](C)c1 CHEMBL1190855
360 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccncn1 CHEMBL1808876
361 CCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1179016
362 C#Cc1cncc([C@H]2CCCN2C)c1 CHEMBL1788226
363 c1cc2c(cn1)C1CCCN1CC2 CHEMBL3578314
364 Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669789
365 O=C1CC[C@]2(c3cccnc3)O[C@@H](COc3ccc(Cl)cc3)CN12 CHEMBL442410
366 CN1C(=O)CC[C@@H]1c1cccnc1 CHEMBL365343
367 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4(C)CC4)c3n2)c1=O CHEMBL3676099
368 COCCOc1ncccc1C1C(C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674965
369 CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)C1c1cccnc1OCCO CHEMBL3669814
370 C[C@H](O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675983
371 COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCC1 CHEMBL1808885
372 Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)cs1 CHEMBL3679829
373 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
374 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)C1c1cccnc1OCCO CHEMBL3674756
375 Cc1ncc(C2CCCN2C)c2c1[nH]c1ccccc12 CHEMBL500286
376 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1 CHEMBL1808872
377 CCCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL300598
378 CONC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675958
379 COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3674850
380 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)C)c2n1 CHEMBL3676052
381 CN1C(=O)CCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 CHEMBL3925012
382 CN1C(=O)[C@H](O)C[C@@H]1c1cccnc1 CHEMBL3126034
383 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1 CHEMBL3676057
384 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC(CO)C1 CHEMBL3676001
385 Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC1c1cccnc1 CHEMBL2336227
386 Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1 CHEMBL1808891
387 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCC#N)cc2)s1 CHEMBL3679836
388 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-] CHEMBL3612360
389 CONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675948
390 c1cncc(C2CCCN2c2ccnc3[nH]ncc23)c1 CHEMBL4066892
391 CN1CCCC1c1ccc(CCc2ccccc2)nc1 CHEMBL190295
392 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3669807
393 CC(C)[C@@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675995
394 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808873
395 CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1 CHEMBL1182507
396 NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1 CHEMBL1921842
397 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
398 CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-] CHEMBL3612358
399 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1 CHEMBL3676055
400 CN1CCC(CO)[C@H]1c1cccnc1 CHEMBL325426
401 Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cnccn3)cn2)ccn1 CHEMBL1808895
402 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-] CHEMBL320514
403 O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@H]3c3cccnc3)cccc2c1 CHEMBL3692144
404 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
405 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCC1 CHEMBL3676000
406 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 CHEMBL3676063
407 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCCN3C)c2)c1 CHEMBL1194341
408 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cnccn1 CHEMBL1806522
409 CN1C(=O)CC[C@@H]1c1ccc[n+]([O-])c1 CHEMBL3126028
410 CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL3612357
411 COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3679783
412 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCCO CHEMBL3679823
413 CCCCC#CCCCCCC[n+]1cccc(C2CCCN2C)c1 CHEMBL1198250
414 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)s1 CHEMBL3679827
415 CN1CCC[C@@H]1c1ccc(Nc2cc(-c3cc(F)cc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 CHEMBL3670119
416 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
417 C=CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL561670
418 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccccn1 CHEMBL1808878
419 Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808890
420 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(CO)CO)c2n1 CHEMBL3676031
421 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ccccc2)c1 CHEMBL3897027
422 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CC(=O)N(C)C1 CHEMBL1808883
423 CCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL417925
424 NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675991
425 O=C(C1CCC1)N1CCCC1c1cnc(-c2cccc(Cl)c2)cc1O CHEMBL1808886
426 CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)cc1)c(C#N)c2N1CCOCC1 CHEMBL3589377
427 O=C(NCC1CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675980
428 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C)n3)c2n1 CHEMBL3676103
429 CN1C(=O)CC[C@H]1c1ccc[n+](C)c1 CHEMBL3544791
430 C[N+]1([O-])CCC[C@H]1c1cccnc1 CHEMBL3544718
431 CCCCCCCCCC[n+]1cccc2c1CC[C@]1(C)CCN(C)[C@]21C.[I-] CHEMBL320633
432 CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179945
433 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cccnc1 CHEMBL1808879
434 CN1C(=[Se])CC[C@H]1c1cccnc1 CHEMBL3114542
435 CN1CCC(CF)[C@H]1c1cccnc1 CHEMBL119016
436 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
437 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
438 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
439 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
440 CCOC(=O)c1c(C)nc2c(C3CCCN3C)cccn12 CHEMBL2147747
441 O=C(c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)N1CC(O)C1 CHEMBL3675982
442 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC(C)(C)C)c3n2)c1=O CHEMBL3676088
443 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](C)O)c2n1 CHEMBL3676027
444 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCCC1 CHEMBL3676011
445 CCc1cncc(C2CCCN2C)c1 CHEMBL111526
446 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 CHEMBL3669764
447 CCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL301648
448 CN1CCCC1c1ccc(CCc2ccc(Cl)cc2)nc1 CHEMBL189470
449 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 CHEMBL3639736
450 COCC1CCN(C)[C@@H]1c1cccnc1 CHEMBL119020
451 Cc1cc(N2CCCC2c2cccnc2)nc(C)n1 CHEMBL3454373
452 COCCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679839
453 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1 CHEMBL3955007
454 CN1CCCC1c1ccc(N)nc1 CHEMBL70774
455 CN1C2CCc3ccncc3C1CC2 CHEMBL423579
456 CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.I.[I-] CHEMBL1322435
457 Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)no1 CHEMBL3669818
458 Cc1ccc(Nc2ncc(C3CCCN3C(=O)c3nccs3)cc2Cl)cn1 CHEMBL3600431
459 C[C@@H](NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(F)(F)F CHEMBL3676003
460 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-] CHEMBL106542
461 O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@@H](O)C1 CHEMBL4108902
462 COC(=O)N1CC[C@@H]2C[C@@H](Sc3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21 CHEMBL225181
463 CCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1179053
464 CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)(C)C)C2c2cccnc2OCCO)cc1 CHEMBL3669813
465 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)c1=O CHEMBL3676090
466 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCCN(C)C)cc2)s1 CHEMBL3679841
467 CN1CCCC1c1cccnc1Cl CHEMBL71112
468 COC[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL119227
469 CCCCCc1ccc(C2CCCN2C)cn1 CHEMBL103566
470 COCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669806
471 Cc1ccc(C2CCCN2C)cn1 CHEMBL294757
472 C#Cc1cncc(C2CCCN2C)c1 CHEMBL111580
473 CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1179042
474 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCC(N)=O CHEMBL3669838
475 CCc1ccc(C2CCCN2C)cn1 CHEMBL103225
476 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179942
477 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 CHEMBL3986272
478 CN1CCCC1c1cncc(Cl)c1 CHEMBL61013
479 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1nccs1 CHEMBL1808896
480 CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1 CHEMBL1808887
481 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
482 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1 CHEMBL3958622
483 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 CHEMBL3614077
484 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)nc1 CHEMBL3669759
485 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N(C)C)cc2)s1 CHEMBL3679833
486 COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 CHEMBL3674875
487 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1 CHEMBL3676060
488 COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 CHEMBL3679787
489 CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1179038
490 CN1C(=O)[C@H](OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1c1cccnc1 CHEMBL3544598
491 COCCOCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669811
492 CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@@H]21 CHEMBL21553
493 O=C(NC1CCC[C@@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675994
494 CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(OC)c1)c(C#N)c2N1CCOCC1 CHEMBL3589379
495 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncnc1 CHEMBL1808877
496 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(C4CC4)n[nH]3)c2n1 CHEMBL3676104
497 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C(C)C)n3)c2n1 CHEMBL3676106
498 Cn1cccc1-c1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1 CHEMBL3486928
499 CCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL560190
500 CN1CCCC1c1cnc2cc3ccncc3cc2c1 CHEMBL61883
501 CN1CCCC1c1cncc(Br)c1 CHEMBL61772
502 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 CHEMBL3679830
503 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NN(C)C)cc2)s1 CHEMBL3679835
504 Cc1cncc([C@@H]2CCC[N+]2(C)[O-])c1 CHEMBL3640778
505 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1 CHEMBL3676028
506 CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1 CHEMBL3614081
507 CN1C(=O)CC[C@H]1c1cccnc1.CN1C(=O)CC[C@H]1c1cccnc1.O=C(O)/C=C/C(=O)O CHEMBL3989573
508 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679828
509 CN/C(=C1\C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccc[nH]c1=O)C(C)C CHEMBL3674777
510 CCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679834
511 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC(O)CC4)c3n2)c1=O CHEMBL3937419
512 O=C1CC[C@]2(c3cccnc3)O[C@H](COc3ccc(Cl)cc3)CN12 CHEMBL343159
513 CCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL559109
514 CCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL52088
515 CN1CCC[C@H]1c1ccc[n+]([O-])c1 CHEMBL3126025
516 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@H](CO)C(C)(C)C)c3n2)c1=O CHEMBL3676095
517 C[N@@+]1(CC[N@@+]2(C)CCC[C@H]2c2cccnc2)CCC[C@@H]1c1cccnc1 CHEMBL1358826
518 Cc1cc(N(C)C)nc(N2CCCC2c2cccnc2)n1 CHEMBL3454403
519 c1cc2c(cn1)[C@H]1CCCN1CC2 CHEMBL3578315
520 CCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL54225
521 O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1CC(=O)N1CCCC1c1cccnc1 CHEMBL1923459
522 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccc(=O)[nH]c3)c2n1 CHEMBL3676032
523 O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 CHEMBL4100810
524 Cc1ncccc1C1CCCN1C CHEMBL160034
525 CN1CCCC1c1cnc2ccccc2c1 CHEMBL161944
526 C[C@@H](O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675984
527 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL551930
528 CCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL441977
529 CCCc1cncc(C2CCCN2C)c1 CHEMBL382287
530 CC1=C(C(=O)N2CCCC2c2cccnc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 CHEMBL601248
531 CC(NC(=O)c1cnn2ccc(N3C(CO)CCC3c3cncc(F)c3)nc12)C(F)(F)F CHEMBL3676078
532 CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cccnc1 CHEMBL1715972
533 C#Cc1cncc([C@@H]2CCCN2C)c1.O=C(O)/C=C/C(=O)O CHEMBL2146093
534 COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3674856
535 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1 CHEMBL1808875
536 COC(=O)N1CC[C@@H]2C=Cc3cc(Cl)nc(Cl)c3[C@@H]21 CHEMBL374956
537 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 CHEMBL3669786
538 OC(COc1ccccc1-c1nc2ccccc2o1)CN1CCCC1c1cccnc1 CHEMBL608832
539 O=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1cccnc1 CHEMBL1353542
540 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCNC(=O)OC(C)(C)C)c2n1 CHEMBL3676015
541 COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 CHEMBL3679811
542 COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674936
543 COCCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679840
544 CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)C1c1cccnc1OCCO CHEMBL3669815
545 CN1CCC[C@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O CHEMBL1448280
546 CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1189396
547 Cc1ccc2nc(CN3CCCC3c3cccnc3)cc(O)c2c1 CHEMBL3485916
548 CN1C(=O)CC[C@H]1c1cccnc1 CHEMBL578211
549 CN1C[C@@H](CF)C[C@H]1c1cccnc1 CHEMBL116706
550 Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3N3CCOCC3)cc2)no1 CHEMBL3679788
551 CCCC/C=C/CC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197208
552 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1 CHEMBL3676013
553 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4cccnc4)c3n2)c1=O CHEMBL3676093
554 Cc1cc(C(=O)N2CCCC2c2cnc(-c3cccc(Cl)c3)cc2C)no1 CHEMBL1808874
555 CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2)c1 CHEMBL1182422
556 Cc1cc(C(=O)N2CCCC2c2ccc(-c3cccc(Cl)c3)nc2)no1 CHEMBL1808869
557 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC4)c3n2)c1=O CHEMBL3676092
558 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 CHEMBL3614076
559 CCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197029
560 CN1C[C@H](CO)C[C@H]1c1cccnc1 CHEMBL434607
561 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2n1 CHEMBL3676033
562 O=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3cccnc3)cccc2c1 CHEMBL3682681
563 CN1CCC[C@@]1(O)c1cccnc1 CHEMBL3544720
564 O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC1c1cccnc1 CHEMBL3474057
565 C[C@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675989
566 Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cncs3)cn2)ccn1 CHEMBL1808894
567 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
568 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669812
569 CC(C)NC(=O)c1cnn2ccc(N3[C@@H](c4cncc(F)c4)CC[C@@]3(C)CO)nc12 CHEMBL3676084
570 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
571 C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1 CHEMBL3675998
572 C=CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197178
573 COCCNC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C)[C@H]1c1cccnc1 CHEMBL3475838
574 CCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197114
575 CC(C)[C@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675996
576 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCCO)c2n1 CHEMBL3676022
577 O=C(Nc1ccc(F)cn1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675970
578 O=C(c1nccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808867
579 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