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comparison test-data/out3.smi @ 8:a43a00845834 draft

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"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit e062e8287369e08bacf084e445acbeceb38c8ede"
author bgruening
date Wed, 27 Jan 2021 18:41:45 +0000
parents 1ade252ebe08
children
comparison
equal deleted inserted replaced
7:1d6fb7967ae9 8:a43a00845834
1 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)OC(C)C)cc2)s1 CHEMBL3679770
2 CC(C)(O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675985
3 CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1 CHEMBL3971680
4 CC1CN(C)[C@H](c2cccnc2)C1C CHEMBL334222
5 COCCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12 CHEMBL3676059
6 Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)cs1 CHEMBL3679829
7 O=C(c1nccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808867
8 CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)C1c1cccnc1OCCO CHEMBL3669815
9 CCCCCc1ccc(C2CCCN2C)cn1 CHEMBL103566
10 CC(C)(C)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675955
11 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)o1 CHEMBL3679744
12 CN1CCCC1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c(sc6c5CCCC6)C4=O)c3CO)cn(C)c2=O)nc1 CHEMBL3670117
13 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4ccc(F)cn4)c3n2)c1=O CHEMBL3676101
14 CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)cc1)c(C#N)c2N1CCOCC1 CHEMBL3589377
15 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3679826
16 COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3674850
17 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
18 O=C(c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)N1CC(O)C1 CHEMBL3675982
19 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL54826
20 c1cc2c(cn1)C1N3CCCC1(CC3)C2 CHEMBL335828
21 CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2)c1 CHEMBL1182422
22 CN1CCCC1c1ccc(O)nc1 CHEMBL72010
23 CO[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL326597
24 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 CHEMBL3676026
25 CN1C(=O)[C@H](OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1c1cccnc1 CHEMBL3544598
26 CN1CCC[C@H]1c1ccc[n+](Cc2ccccc2)c1.[Br-] CHEMBL563268
27 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1 CHEMBL3676013
28 C[C@@H](O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675984
29 CN1CCC[C@H]1c1ccc(Nc2ncc3cc(Br)c(=O)n(C4CCCC4)c3n2)nc1.Cl CHEMBL3972301
30 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 CHEMBL3669735
31 CN1C(=O)CC[C@@H]1c1cccnc1 CHEMBL365343
32 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ccccc2)c1 CHEMBL3897027
33 O=C(c1cc2c([nH]c1=O)CCC2)N1CCCC1c1cccnc1 CHEMBL3458802
34 CCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197114
35 CN1C(=O)CC[C@@]1(O)c1cccnc1 CHEMBL3544599
36 CN1[C@H](C#N)CC[C@H]1c1cccnc1 CHEMBL81899
37 COCc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669833
38 CCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1178992
39 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1 CHEMBL3958622
40 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NCC4CC4)c3n2)c1=O CHEMBL3676094
41 CN1CCC[C@H]1c1cccnc1 CHEMBL3
42 CN1C(=O)[C@@H](O)C[C@@H]1c1cccnc1 CHEMBL3126033
43 CN1CCCC1c1ccc(CC(O)c2ccccc2)nc1 CHEMBL363379
44 Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669789
45 COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 CHEMBL3679786
46 COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(C5CCCN5C)cn4)c3c2)cc(Cl)c1O CHEMBL3674295
47 C[C@@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675990
48 CCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL3614075
49 O=C(N[C@@H]1C2CC[C@@H](C2)[C@@H]1CO)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3676012
50 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL551930
51 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)nc1 CHEMBL3669770
52 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccccn1 CHEMBL1808878
53 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N3CCCC3)cc2)s1 CHEMBL3679838
54 CN1CCC[C@H]1c1ccc[n+](C)c1.[I-] CHEMBL541771
55 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)C)c2n1 CHEMBL3676052
56 CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1179038
57 CCCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1183493
58 CN1C(=S)CC[C@H]1c1cccnc1 CHEMBL3114543
59 CCCc1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1 CHEMBL3486295
60 CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1 CHEMBL3614072
61 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
62 CN1C(=O)CC[C@@H]1c1ccc[n+]([O-])c1 CHEMBL3126028
63 CCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL301648
64 c1cc2c(cn1)[C@@H]1N3CCC1(CC3)C2 CHEMBL2111859
65 C=CC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1196878
66 CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1 CHEMBL3614081
67 CC(NC(=O)c1cnn2ccc(N3C(c4cncc(F)c4)CCC3(C)CO)nc12)C(F)(F)F CHEMBL3676085
68 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
69 O=C(NC1CC1)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675954
70 COC(=O)N1CC[C@@H]2C[C@@H](Sc3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21 CHEMBL225181
71 CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-] CHEMBL104461
72 CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1194306
73 COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 CHEMBL3679811
74 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C)n3)c2n1 CHEMBL3676103
75 CCOc1ccc(N2C(=O)C3=NCCNC(c4ccc(Cl)cc4)=C3C2c2cccnc2)cc1 CHEMBL1325781
76 COCCOCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669811
77 C#Cc1cncc(C2CCCN2C)c1 CHEMBL111580
78 CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3OC)nc12 CHEMBL3676024
79 CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12 CHEMBL3676069
80 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCC1 CHEMBL3676000
81 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCCN(C)C)cc2)s1 CHEMBL3679841
82 CCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3679781
83 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccncc1 CHEMBL1808880
84 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](O)CO)c2n1 CHEMBL3676017
85 CN1C(=O)CCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 CHEMBL3925012
86 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC(C)(C)C)c3n2)c1=O CHEMBL3676088
87 COCC(O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675993
88 O=C(NC1CCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675975
89 CN1CCC[C@H]1c1ccc[n+](Cc2ccccc2)c1 CHEMBL1197228
90 CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675930
91 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL420649
92 CCOC(=O)c1c(C)nc2c(C3CCCN3C)cccn12 CHEMBL2147747
93 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
94 CN1CCCC1c1cnccc1N CHEMBL193763
95 CC[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL115793
96 CCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL441977
97 CCCCC#CCCCCCC[n+]1cccc(C2CCCN2C)c1.[Br-] CHEMBL599540
98 O=CN1CCC[C@H]1c1cccnc1 CHEMBL3126024
99 CN1C[C@H](CO)C[C@H]1c1cccnc1 CHEMBL434607
100 CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cccnc1 CHEMBL1715972
101 O=C1CC[C@]2(c3cccnc3)O[C@H](COc3ccc(Cl)cc3)CN12 CHEMBL343159
102 C=CS(=O)(=O)[C@H]1C[C@]2(C(=O)OC)CCC(=O)N2[C@H]1c1cccnc1 CHEMBL493120
103 Cc1cc(N(C)C)nc(N2CCCC2c2cccnc2)n1 CHEMBL3454403
104 CN1C(=O)CC[C@H]1c1cccnc1.CN1C(=O)CC[C@H]1c1cccnc1.O=C(O)/C=C/C(=O)O CHEMBL3989573
105 O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675929
106 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 CHEMBL3669795
107 CONC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675958
108 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCCO)c2n1 CHEMBL3676022
109 CN1C[C@@H](CO)C[C@H]1c1cccnc1 CHEMBL118849
110 CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1 CHEMBL1808887
111 CN1CCCC1c1cccnc1 CHEMBL440464
112 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NN(C)C)cc2)s1 CHEMBL3679835
113 CCCC/C=C/CC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197208
114 CN1C(=O)CC[C@H]1c1ccc[n+](C)c1 CHEMBL3544791
115 O=C(NC1CCC[C@@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675994
116 COc1ccc(CCc2ccc(C3CCCN3C)cn2)cc1 CHEMBL190652
117 CN1CCC[C@H]1c1ccc[n+](C)c1 CHEMBL1190855
118 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@@H]3CCC[C@H]3O)c2n1 CHEMBL3676064
119 CCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL57108
120 C=CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197169
121 CCc1cc(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)cnc4OC)nc23)[nH]n1 CHEMBL3676105
122 CCCCCCCCCC[n+]1cccc2c1CC[C@]1(C)CCN(C)[C@]21C.[I-] CHEMBL320633
123 CN1CCC[C@H]1c1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc(CCCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1 CHEMBL1182507
124 CCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL441186
125 CCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1185915
126 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
127 OC(COc1ccccc1-c1nc2ccccc2o1)CN1CCCC1c1cccnc1 CHEMBL608832
128 CN1C[C@@H](Cc2ccccc2)C[C@H]1c1cccnc1 CHEMBL420694
129 Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)no1 CHEMBL3669818
130 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCCO CHEMBL3679823
131 O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCCC4c4cccnc4)nc23)N1 CHEMBL3984229
132 NCCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12 CHEMBL3676016
133 CN1CCCC1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)nc1 CHEMBL3674296
134 Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cnccn3)cn2)ccn1 CHEMBL1808895
135 CCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL417925
136 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cccnc1 CHEMBL1808879
137 CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2[C@H](C)CN3C CHEMBL2409141
138 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 CHEMBL3639736
139 CN1CCCC1c1ccc(-c2ccccc2)nc1 CHEMBL350748
140 COc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)Nc3cc(C)n[nH]3)c2n1 CHEMBL3676102
141 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1Cl CHEMBL3674784
142 CN1CCCC1c1cncc(Br)c1 CHEMBL61772
143 O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@@H](O)C1 CHEMBL4108902
144 O=C(N[C@H]1CC[C@H](O)C1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675979
145 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
146 CC1=C(C(=O)N2CCCC2c2cccnc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 CHEMBL601248
147 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
148 CN1[C@H](c2cccnc2)CC[C@@H]1c1ccccc1 CHEMBL443018
149 CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-] CHEMBL3612359
150 Cc1ccc(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)cn(C)c4=O)nc23)cn1 CHEMBL3676091
151 CCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL52983
152 Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 CHEMBL3669788
153 Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1 CHEMBL1808893
154 CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3C)nc12 CHEMBL3676054
155 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
156 CN1[C@H](c2cccnc2)CC[C@@H]1C#N CHEMBL84210
157 COCCNC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C)[C@H]1c1cccnc1 CHEMBL3475838
158 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
159 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
160 NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1 CHEMBL1921840
161 CN1CCC[C@]12CCc1ccncc12 CHEMBL2112670
162 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)o1 CHEMBL3679749
163 CN1CCC[C@@H]1c1ccc(Nc2cc(-c3cc(F)cc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 CHEMBL3670119
164 COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674810
165 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(C4CC4)n[nH]3)c2n1 CHEMBL3676104
166 CC(C)(CO)CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675999
167 CN/C(=C1\C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccc[nH]c1=O)C(C)C CHEMBL3674777
168 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)nc1 CHEMBL3669759
169 CN1CCCC1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)nc1 CHEMBL3674294
170 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669785
171 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 CHEMBL3986272
172 CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675988
173 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC4)c3n2)c1=O CHEMBL3676092
174 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 CHEMBL3669764
175 CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12 CHEMBL3676089
176 O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@H]3c3cccnc3)cccc2c1 CHEMBL3692144
177 CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2)c1.[Br-].[Br-] CHEMBL238117
178 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OC(C)C)cc2)o1 CHEMBL3679745
179 COc1ccc(CN2C(=O)CCC2c2cccnc2)cc1 CHEMBL3126032
180 COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3674853
181 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncnc1 CHEMBL1808877
182 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3674761
183 CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(O)c1)c(C#N)c2N1CCOCC1 CHEMBL3589378
184 CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.I.[I-] CHEMBL1322435
185 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N(C)C)cc2)s1 CHEMBL3679833
186 NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1 CHEMBL1921841
187 C[N@@+]1(CC[N@@+]2(C)CCC[C@H]2c2cccnc2)CCC[C@@H]1c1cccnc1 CHEMBL1358826
188 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(CO)CO)c2n1 CHEMBL3676031
189 CN1C(=O)CC[C@H]1c1ccc[n+]([O-])c1 CHEMBL3544793
190 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCC#N)cc2)s1 CHEMBL3679836
191 CCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674944
192 CN1CCC(CF)[C@H]1c1cccnc1 CHEMBL119016
193 CCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL560190
194 CN1CC[C@@H]2CCc3ccncc3[C@@H]21 CHEMBL417278
195 CN1CCC[C@H]1c1ccc[n+]([O-])c1 CHEMBL3126025
196 CCCCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL300598
197 CN1CCC[C@H]1c1cccnc1.Cl CHEMBL225057
198 COc1cncc(C2CCCN2C)c1 CHEMBL303530
199 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179942
200 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](C)O)c2n1 CHEMBL3676027
201 CN1CCCC1c1ccc(/C=C/c2ccccc2)nc1 CHEMBL190678
202 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
203 C=CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197178
204 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
205 CCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679793
206 CN1CCC[C@H]1c1ccc(Nc2ncc3cc(Br)c(=O)n(C4CCCC4)c3n2)nc1 CHEMBL3990288
207 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 CHEMBL3669816
208 CCCCCCCCCC[n+]1cccc2c1CC[C@]1(C)CCN(C)[C@]21C CHEMBL1183842
209 O=C(C(Nc1ccccc1F)c1cc2ccccc2s1)N1CCCC1c1cccnc1 CHEMBL2348659
210 Cc1ccc2nc(CN3CCCC3c3cccnc3)cc(O)c2c1 CHEMBL3485916
211 C#Cc1cncc([C@H]2CCCN2C)c1 CHEMBL1788226
212 COCCOc1ncccc1C1C(C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674965
213 Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cncs3)cn2)ccn1 CHEMBL1808894
214 C[N+]1(CC[N+]2(C)CCCC2c2cccnc2)CCCC1c1cccnc1 CHEMBL1978965
215 CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)O)C(=O)N1CCCC1c1cccnc1 CHEMBL158622
216 CC(C)(CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676006
217 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2nc(Cl)cs2)c1 CHEMBL3943155
218 O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1 CHEMBL3944177
219 CC(C)[C@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675996
220 O=C(Nc1ccccc1F)N1CCCC1c1cccnc1 CHEMBL1870182
221 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@H]3CCCN3C)c2)c1 CHEMBL1194341
222 CC(C)[C@@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675995
223 O=C(N[C@@H]1CCC[C@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676007
224 CN1C[C@H](C#N)C[C@H]1c1cccnc1 CHEMBL119352
225 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1 CHEMBL1808872
226 C[C@H](NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(F)(F)F CHEMBL3676004
227 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 CHEMBL3614077
228 CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCO CHEMBL3669809
229 CN1C(=O)CC[C@H]1c1cccnc1 CHEMBL578211
230 C#Cc1cncc([C@@H]2CCCN2C)c1 CHEMBL111659
231 CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2ccccc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1182432
232 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 CHEMBL3674872
233 C[C@H](CO)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675989
234 CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2ccccc2C#CCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL238769
235 CCCC[C@@H]1CC[C@@H](c2cccnc2)N1C CHEMBL119574
236 CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL550723
237 CCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL559109
238 O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 CHEMBL4100810
239 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCS(=O)(=O)C1 CHEMBL1808882
240 CN1C[C@@H](CC#N)C[C@H]1c1cccnc1 CHEMBL334001
241 COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3674856
242 CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)(C)C)C2c2cccnc2OCCO)cc1 CHEMBL3669813
243 CCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679834
244 CN1C(=O)C(C(=O)O)C[C@@H]1c1cccnc1 CHEMBL3126035
245 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1 CHEMBL3676029
246 CC(NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1CC1 CHEMBL3675987
247 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
248 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1N1CCOCC1 CHEMBL3679789
249 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4O)c3n2)c1=O CHEMBL3676096
250 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179025
251 COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679738
252 COCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669806
253 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
254 CC(=O)O[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL419230
255 Cc1cc(N2CCCC2c2cccnc2)nc(C)n1 CHEMBL3454373
256 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4(C)CC4)c3n2)c1=O CHEMBL3676099
257 NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c2ccccc12 CHEMBL4095563
258 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4cccnc4)c3n2)c1=O CHEMBL3676093
259 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCC(N)=O CHEMBL3669838
260 O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1CC(=O)N1CCCC1c1cccnc1 CHEMBL1923459
261 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)(C)C)c2n1 CHEMBL3676051
262 CN1CCCC1c1ccc(Cl)nc1 CHEMBL70050
263 CN1CC[C@@H]2CCc3cc[n+]([BH2-]C#N)cc3[C@@H]21 CHEMBL21553
264 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)C1CCC1 CHEMBL1808900
265 COC[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL119227
266 Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccnc2)s1 CHEMBL1779603
267 CN1C(=O)[C@@H](C(N)=O)C[C@@H]1c1cccnc1 CHEMBL3126036
268 CCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1178973
269 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3669767
270 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1 CHEMBL3904952
271 COC(=O)N1CC[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21 CHEMBL224667
272 COc1ccncc1C1CCCN1C CHEMBL370168
273 CCCc1cncc(C2CCCN2C)c1 CHEMBL382287
274 CN1CCCC1c1cccnc1.O=S(=O)(O)O CHEMBL2142095
275 CCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL559757
276 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1183837
277 COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3679783
278 CCCC[C@H]1CC[C@@H](c2cccnc2)N1C CHEMBL119581
279 CC1(NC(=O)c2cnn3ccc(N4CCCC4c4cncc(F)c4)nc23)CCC1 CHEMBL3675976
280 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NC(C)C)cc2)s1 CHEMBL3679837
281 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
282 O=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1cccnc1 CHEMBL1353542
283 CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cccc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1.[Br-].[Br-] CHEMBL391220
284 CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO CHEMBL3669808
285 CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-] CHEMBL105440
286 CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(O)c1)c(C#N)c2N1CCOCC1 CHEMBL3589375
287 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(O)CO)c2n1 CHEMBL3676020
288 CCN(C)C(=O)[C@H]1C[C@@](CC(C)C)(C(=O)OC)N(C)[C@H]1c1cccnc1 CHEMBL3475081
289 COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674936
290 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 CHEMBL3676056
291 CN1CCCC1c1ccc(F)nc1 CHEMBL72470
292 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 CHEMBL3669807
293 CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675968
294 CN1CCC[C@@]1(O)c1cccnc1 CHEMBL3544720
295 CN1CCCC1c1ccc(CCCc2ccccc2)nc1 CHEMBL361703
296 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808873
297 CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(OC)c1)c(C#N)c2N1CCOCC1 CHEMBL3589379
298 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 CHEMBL3676053
299 CCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1179016
300 CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179917
301 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(CO)CC3)c2n1 CHEMBL3676061
302 Cc1ncccc1C1CCCN1C CHEMBL160034
303 COCC(C)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675992
304 c1cncc(C2CCCN2C2c3ccccc3Oc3ccccc32)c1 CHEMBL278775
305 CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ncccc4C4CCCN4C)ccc3OCC)nc12 CHEMBL2047881
306 CCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 CHEMBL3676050
307 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO CHEMBL3674760
308 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(C)(O)C3)c2n1 CHEMBL3676018
309 C=CC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL558518
310 CC1(O)CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1 CHEMBL3675967
311 CCCCC#CCCCCCC[n+]1cccc(C2CCCN2C)c1 CHEMBL1198250
312 COC(=O)COCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669821
313 CN1CCCC1c1ccc(CCc2ccc(Cl)cc2)nc1 CHEMBL189470
314 COc1ncccc1C1C(C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674964
315 CCCCCOc1ccc(C[C@H](NC(=O)C2CC(=O)N(C)C2c2cccnc2)C(=O)O)cc1 CHEMBL352062
316 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-] CHEMBL320514
317 Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3N3CCOCC3)cc2)no1 CHEMBL3679788
318 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1 CHEMBL3676057
319 O=C1CC[C@]2(c3cccnc3)O[C@@H](COc3ccc(Cl)cc3)CN12 CHEMBL442410
320 COC(=O)N1CC[C@@H]2CCc3ccnc(Cl)c3[C@@H]21 CHEMBL374612
321 Cc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)[nH]n2)o1 CHEMBL3485246
322 C=CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL563663
323 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)c1=O CHEMBL3676090
324 C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1 CHEMBL3676097
325 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC(CO)C1 CHEMBL3676001
326 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cncs1 CHEMBL1808899
327 CN1CCC[C@H]1c1ccc[n+]([BH2-]C#N)c1 CHEMBL282473
328 C=CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL561470
329 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-] CHEMBL3612360
330 CN1CCCC1c1cncc(C2CCCN2C)c1 CHEMBL3593860
331 c1cc2c(cn1)[C@H]1CCCN1CC2 CHEMBL3578315
332 O=C(NCCO)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675986
333 COCCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679839
334 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1 CHEMBL3676028
335 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 CHEMBL3674792
336 COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669826
337 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccncn1 CHEMBL1808876
338 CCCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1179053
339 CSC[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL119144
340 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NOCCOC(C)(C)C)c2n1 CHEMBL3676023
341 CN1CCCC1c1ccc(C(=O)O)nc1 CHEMBL370709
342 O=C(NCC1CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675980
343 C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1 CHEMBL3675997
344 CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL538685
345 O=C(NOCCO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3Cl)nc12 CHEMBL3676087
346 CN1C(=O)CCC1c1cccnc1 CHEMBL664
347 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](O)CO)c2n1 CHEMBL3676021
348 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(N)=O)cc2)s1 CHEMBL3679831
349 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1 CHEMBL3955007
350 Cc1cc(C(=O)N2CCCC2c2ccc(-c3cccc(Cl)c3)nc2)no1 CHEMBL1808869
351 COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674772
352 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 CHEMBL3676063
353 CC(C)NC(=O)c1cnn2ccc(N3[C@H](CO)CC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676080
354 CC(C)(CF)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675956
355 CN1CCCC1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc(C5CCCN5C)c4)cc3)cc2)c1 CHEMBL1197966
356 O=C(NCC(F)CCl)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675972
357 C[C@H]1CC[C@@H](c2cccnc2)N1C CHEMBL116645
358 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679828
359 CN1CCCC1c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c(sc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 CHEMBL3670116
360 O=C(C1CCC1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808871
361 COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 CHEMBL3674886
362 CCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C CHEMBL1183508
363 COCc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674842
364 CN1CCCC1c1ccc(N)nc1 CHEMBL70774
365 CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1179042
366 O=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675947
367 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccn(C(C)C)n3)c2n1 CHEMBL3676106
368 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1 CHEMBL3676002
369 CCNC(=O)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1 CHEMBL4064004
370 CCN1CCCC1c1cccnc1 CHEMBL163042
371 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccc(=O)[nH]c3)c2n1 CHEMBL3676032
372 COc1ccc(C2CCCN2C)cn1 CHEMBL292114
373 CCCCc1ccc(C2CCCN2C)cn1 CHEMBL320023
374 O=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3cccnc3)cccc2c1 CHEMBL3682681
375 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1 CHEMBL3676058
376 CCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197124
377 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCC1 CHEMBL1808881
378 Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808892
379 CN1CCCC1c1ccc(CCc2ccccc2)nc1 CHEMBL190295
380 C=CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197241
381 O=C1CC[C@@H](c2cccnc2)N1CO CHEMBL3544621
382 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(N)=O)c2n1 CHEMBL3676055
383 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2n1 CHEMBL3676033
384 CN1CCCC1c1ccc(Br)nc1 CHEMBL58231
385 c1cc2c(cn1)[C@H]1N3CCC1(CC3)C2 CHEMBL2112676
386 CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1196877
387 NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)c(Cl)c1 CHEMBL1921843
388 CS(=O)(=O)N1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cncc(F)c4)nc23)CC1 CHEMBL3675945
389 CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1 CHEMBL3676068
390 O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@@H]3c3cccnc3)cccc2c1 CHEMBL3682682
391 C[C@@H]1CC[C@@H](c2cccnc2)N1C CHEMBL118038
392 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@H](CO)C(C)(C)C)c3n2)c1=O CHEMBL3676095
393 C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)C1CC1 CHEMBL3675998
394 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CN4CCC3CC4)c2n1 CHEMBL3676065
395 Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808890
396 c1cncc(C2CCCN2c2ccnc3[nH]ncc23)c1 CHEMBL4066892
397 O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC1c1cccnc1 CHEMBL560283
398 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669812
399 CN1CCC[C@H]1c1ccc[n+](CCCC#Cc2cccc(C#CCCC[n+]3cccc([C@@H]4CCCN4C)c3)c2)c1 CHEMBL1185135
400 O=C(C1CCC1)N1CCCC1c1cnc(-c2cccc(Cl)c2)cc1O CHEMBL1808886
401 Cc1cc(C)nc(N2CCCC2c2cccnc2)n1 CHEMBL3436596
402 c1cc2c(cn1)[C@@H]1CCCN1CC2 CHEMBL3578316
403 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
404 c1ccc(CN2CCCC2c2cccnc2)cc1 CHEMBL163552
405 Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1 CHEMBL1808891
406 CC(NC(=O)c1cnn2ccc(N3C(CO)CCC3c3cncc(F)c3)nc12)C(F)(F)F CHEMBL3676078
407 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 CHEMBL3669786
408 CNC(=O)COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669837
409 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3674791
410 CC1(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)CC1 CHEMBL3675966
411 CN1CCC(CO)[C@H]1c1cccnc1 CHEMBL325426
412 CCCCC/C=C/CCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197030
413 CN1CCC[C@@H]1c1cccnc1 CHEMBL9732
414 CC(=O)[C@H]1OC([n+]2cccc([C@@H]3CCC(=O)N3C)c2)[C@H](O)[C@@H](O)[C@@H]1O CHEMBL3559662
415 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCC1 CHEMBL3675969
416 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)s1 CHEMBL3679827
417 CCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674943
418 C[C@H](O)CNC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675983
419 C[C@@H](NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C(F)(F)F CHEMBL3676003
420 O=C(NCC(F)(F)F)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676005
421 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
422 c1cc2c(cn1)C1CCCN1CC2 CHEMBL3578314
423 CN1C[C@@H](CF)C[C@H]1c1cccnc1 CHEMBL116706
424 CC1(NC(=O)c2cnn3ccc(N4[C@H](CO)CC[C@@H]4c4cncc(F)c4)nc23)CC1 CHEMBL3676079
425 C=CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL561670
426 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-] CHEMBL3612361
427 Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 CHEMBL3676049
428 O=C(N[C@@H]1CCCC[C@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676010
429 CN1CCCC1c1cnc2cc3ccncc3cc2c1 CHEMBL61883
430 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1 CHEMBL1808875
431 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(CCO)CC3)c2n1 CHEMBL3676030
432 CCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL55606
433 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
434 C[N+]1([O-])CCC[C@H]1c1cccnc1 CHEMBL3544718
435 O=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808870
436 CN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccnc1 CHEMBL2165407
437 CCCC/C=C/CC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL562649
438 Cn1cccc1-c1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1 CHEMBL3486928
439 Cc1cncc([C@@H]2CCC[N+]2(C)[O-])c1 CHEMBL3640778
440 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)C1CCC1 CHEMBL1808897
441 CC(C)(CF)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675946
442 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL105342
443 CCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL3612356
444 CONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675948
445 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cnccn1 CHEMBL1806522
446 CN1[C@H](c2ccccc2)CC[C@H]1c1cccnc1 CHEMBL116998
447 O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCCCC1 CHEMBL3676011
448 CCc1cncc(C2CCCN2C)c1 CHEMBL111526
449 CN1CCCC1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc(C5CCCN5C)c4)cc3)cc2)c1.[Br-].[Br-] CHEMBL592152
450 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
451 CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(OC)c1)c(C#N)c2N1CCOCC1 CHEMBL3589376
452 COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 CHEMBL3674838
453 Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1 CHEMBL3676060
454 CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179945
455 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1cccnc1OCCO CHEMBL3669819
456 CCCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1179033
457 O=C(N[C@H]1CCC[C@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675978
458 O=C(N[C@@H]1CCC[C@@H]1O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676009
1 CN1CCC[C@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O CHEMBL1448280 459 CN1CCC[C@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O CHEMBL1448280
2 Cn1cccc1-c1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1 CHEMBL3486928 460 CCCC/C=C\CC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL560330
3 O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1CC(=O)N1CCCC1c1cccnc1 CHEMBL1923459 461 COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 CHEMBL3679751
4 CN1CCCC1c1cccnc1.O=S(=O)(O)O CHEMBL2142095 462 CCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL54225
463 COC(=O)N1CC[C@@H]2C=Cc3cc(Cl)nc(Cl)c3[C@@H]21 CHEMBL374956
464 CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL3612357
465 CCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1185930
466 NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1 CHEMBL1921842
467 CN1C(=O)[C@H](O)C[C@@H]1c1cccnc1 CHEMBL3126034
468 CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1.[Br-] CHEMBL3612358
469 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 CHEMBL3985834
470 O=C(NC1COC1)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1 CHEMBL4083992
471 CN1C[C@@H](O)C[C@H]1c1cccnc1 CHEMBL117339
472 C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1 CHEMBL3676098
473 CN1CC[C@H]2CCc3c(ccc[n+]3[BH2-]C#N)[C@H]21 CHEMBL277416
474 CCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197029
475 Nc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CCC3)c2n1 CHEMBL3676086
476 CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)nc2)n2c1COCC2)c1ccccc1 CHEMBL4115509
477 CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1182431
478 CC(=O)N1CCCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 CHEMBL3900434
479 CN1CCCC1c1cncc(F)c1 CHEMBL62128
480 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 CHEMBL3679737
481 C[C@H]1C[C@@H](c2cccnc2)N(C)C1 CHEMBL432837
482 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1nccs1 CHEMBL1808896
483 CN1CCC[C@@]12CCc1ccncc12 CHEMBL2111861
484 Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808888
5 CN1CCC[C@@H]1c1cccnc1.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1 CHEMBL2448607 485 CN1CCC[C@@H]1c1cccnc1.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1 CHEMBL2448607
6 NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c2ccccc12 CHEMBL4095563 486 O=C(C(Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCCC1c1cccnc1 CHEMBL2348671
7 O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC1c1cccnc1 CHEMBL560283 487 CN1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1 CHEMBL3544704
8 O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCCC4c4cccnc4)nc23)N1 CHEMBL3984229 488 CC(C)NC(=O)c1cnn2ccc(N3[C@@H](c4cncc(F)c4)CC[C@@]3(C)CO)nc12 CHEMBL3676084
9 O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@H]3c3cccnc3)cccc2c1 CHEMBL3692144 489 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 CHEMBL3669766
10 O=C(c1cc2c([nH]c1=O)CCC2)N1CCCC1c1cccnc1 CHEMBL3458802 490 CCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL56296
11 CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)O)C(=O)N1CCCC1c1cccnc1 CHEMBL158622 491 COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CCC1 CHEMBL1808885
12 c1ccc(CN2CCCC2c2cccnc2)cc1 CHEMBL163552 492 CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)C1c1cccnc1OCCO CHEMBL3669814
493 CN1C[C@@H](OS(C)(=O)=O)C[C@H]1c1cccnc1 CHEMBL119186
494 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCO)c2n1 CHEMBL3676019
495 C[N@@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 CHEMBL1318824
496 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
497 COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3674905
498 COC(=O)N1CC[C@@H]2CCc3ccncc3[C@@H]21 CHEMBL224871
499 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1185546
500 Cn1cc(NC(=O)N2CCCC2c2cccnc2)ccc1=O CHEMBL3453894
501 CN1C(=O)[C@H](O)C[C@H]1c1cccnc1 CHEMBL1614639
502 O=C(Nc1ccc(F)cn1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675970
503 CN1CCCC1c1cncc(Cl)c1 CHEMBL61013
504 CCCCCCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21.[I-] CHEMBL55211
505 Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1nccs1 CHEMBL1808901
506 COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1 CHEMBL1808884
507 O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC1c1cccnc1 CHEMBL3474057
508 CCCc1ccc(C2CCCN2C)cn1 CHEMBL103537
509 O=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808868
510 O=C(N[C@H]1CCC[C@@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675977
511 CNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679832
512 Cc1ccc(Nc2ncc(C3CCCN3C(=O)c3nccs3)cc2Cl)cn1 CHEMBL3600431
513 Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC1c1cccnc1 CHEMBL2336227
514 O=C(NC1(CO)CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675981
515 CCCCCCCCC[n+]1ccc2c(c1)[C@H]1[C@@H](CC2)CCN1C.[I-] CHEMBL52088
516 COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 CHEMBL3674875
517 NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CO)nc12 CHEMBL3675957
518 CCc1ccc(C2CCCN2C)cn1 CHEMBL103225
519 CC1CCN(C)[C@@H]1c1cccnc1 CHEMBL119019
520 CC(C)(C#N)NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675944
521 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[I-].[I-] CHEMBL106542
522 CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1.[Br-].[Br-] CHEMBL238768
523 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 CHEMBL3676025
524 CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL293527
525 CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1183372
526 COCCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 CHEMBL3679840
527 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)C1c1cccnc1OCCO CHEMBL3674756
528 Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 CHEMBL3669787
529 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCCO CHEMBL3679825
530 O=C(NC1(C(F)(F)F)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3675973
13 Cc1ncsc1CCC(=O)N1CCCC1c1cccnc1 CHEMBL3476252 531 Cc1ncsc1CCC(=O)N1CCCC1c1cccnc1 CHEMBL3476252
14 O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC1c1cccnc1 CHEMBL3474057 532 Cc1ncc(C2CCCN2C)c2c1[nH]c1ccccc12 CHEMBL500286
15 O=C(C(Nc1ccccc1F)c1cc2ccccc2s1)N1CCCC1c1cccnc1 CHEMBL2348659 533 CCCC/C=C\CC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197132
16 OC(COc1ccccc1-c1nc2ccccc2o1)CN1CCCC1c1cccnc1 CHEMBL608832 534 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
17 O=C(Nc1ccccc1F)N1CCCC1c1cccnc1 CHEMBL1870182 535 COCC1CCN(C)[C@@H]1c1cccnc1 CHEMBL119020
18 CN1CCC[C@H]1c1cccnc1.Cl CHEMBL225057 536 Cc1ccc(C2CCCN2C)cn1 CHEMBL294757
19 O=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1cccnc1 CHEMBL1353542 537 CCCCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1197164
20 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 538 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 CHEMBL1179963
21 Cc1ccc2nc(CN3CCCC3c3cccnc3)cc(O)c2c1 CHEMBL3485916 539 C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1 CHEMBL4297627
22 Cc1cc(N2CCCC2c2cccnc2)nc(C)n1 CHEMBL3454373 540 CN1CCC2CCc3ccncc3C21 CHEMBL324227
23 O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@@H]3c3cccnc3)cccc2c1 CHEMBL3682682 541 CCO.CN1CCC[C@H]1c1cccnc1 CHEMBL3137669
24 CN1CCCC1c1cccnc1 CHEMBL440464 542 O=C(NC1CCC(O)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3902802
25 CN1CCC[C@@H]1c1cccnc1 CHEMBL9732 543 c1cncc(C2C3CCN2CC3)c1 CHEMBL130814
26 Cc1cc(N(C)C)nc(N2CCCC2c2cccnc2)n1 CHEMBL3454403 544 O=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1 CHEMBL1808866
545 CN1CC[C@H]2CCc3ncccc3[C@H]21 CHEMBL281410
546 Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1 CHEMBL1808889
547 Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1cnccn1 CHEMBL1808898
548 CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 CHEMBL3614076
549 CN1C2CCc3ccncc3C1CC2 CHEMBL423579
550 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
551 Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC(O)CC4)c3n2)c1=O CHEMBL3937419
552 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3679824
553 CCCCCCCC[n+]1cccc2c1CC[C@@H]1CCN(C)[C@H]21 CHEMBL1185506
554 COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 CHEMBL3679787
555 NC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12 CHEMBL3675991
556 CN1C(=[Se])CC[C@H]1c1cccnc1 CHEMBL3114542
557 Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CC(=O)N(C)C1 CHEMBL1808883
558 CN1CCCC1c1cccnc1Cl CHEMBL71112
559 Cc1cc(C(=O)N2CCCC2c2cnc(-c3cccc(Cl)c3)cc2C)no1 CHEMBL1808874
560 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCC(=O)O CHEMBL3669834
561 C#Cc1cncc([C@@H]2CCCN2C)c1.O=C(O)/C=C/C(=O)O CHEMBL2146093
562 COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 CHEMBL3669765
563 CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 CHEMBL1189396
564 CCN1C(=O)CCC1c1cccnc1 CHEMBL3126031
565 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCO CHEMBL3669817
566 CCCCCCC#CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL561389
567 COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 CHEMBL3669796
27 CN1CCC[C@H]1c1cccnc1.CN1CCC[C@H]1c1cccnc1.O=S(=O)(O)O CHEMBL3182465 568 CN1CCC[C@H]1c1cccnc1.CN1CCC[C@H]1c1cccnc1.O=S(=O)(O)O CHEMBL3182465
28 CCCc1cc(C(=O)N2CCCC2c2cccnc2)[nH]n1 CHEMBL3486295 569 CCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[I-] CHEMBL558517
29 O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 CHEMBL4100810 570 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
30 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 571 COC1CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1 CHEMBL3675971
31 CCNC(=O)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1 CHEMBL4064004 572 COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 CHEMBL3679830
32 Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC1c1cccnc1 CHEMBL2336227 573 CN1CCCC1c1cnc2ccccc2c1 CHEMBL161944
33 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 574 Cc1cncc(C2CCCN2C)c1 CHEMBL364003
34 CC1=C(C(=O)N2CCCC2c2cccnc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 CHEMBL601248 575 COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 CHEMBL3926444
35 NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1 CHEMBL1921840 576 CCCCC/C=C/CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-] CHEMBL559110
36 c1cncc(C2CCCN2c2ccnc3[nH]ncc23)c1 CHEMBL4066892 577 CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 CHEMBL3676067
37 CN1CCC[C@H]1c1cccnc1 CHEMBL3 578 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCNC(=O)OC(C)(C)C)c2n1 CHEMBL3676015
38 CCO.CN1CCC[C@H]1c1cccnc1 CHEMBL3137669 579 O=C(NCC(F)F)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 CHEMBL3676008
39 Cc1cc(C)nc(N2CCCC2c2cccnc2)n1 CHEMBL3436596
40 Cc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)[nH]n2)o1 CHEMBL3485246
41 NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)c(Cl)c1 CHEMBL1921841
42 NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)c(Cl)c1 CHEMBL1921843
43 NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1 CHEMBL1921842
44 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
45 O=C(C(Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCCC1c1cccnc1 CHEMBL2348671
46 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
47 c1cncc(C2CCCN2C2c3ccccc3Oc3ccccc32)c1 CHEMBL278775
48 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
49 Cn1cc(NC(=O)N2CCCC2c2cccnc2)ccc1=O CHEMBL3453894
50 CCN1CCCC1c1cccnc1 CHEMBL163042
51 O=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3cccnc3)cccc2c1 CHEMBL3682681
52 O=C(NC1COC1)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1 CHEMBL4083992
53 O=CN1CCC[C@H]1c1cccnc1 CHEMBL3126024
54 Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccnc2)s1 CHEMBL1779603
55 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