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Virtual screening for IDP 4DCA - surface: 1
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc2c(c1)-c3cccn3[C@@H](N2)c4ccc5c(c4)CCO5
|
|
|
2
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
3
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
4
|
|
|
|
5
|
Cc1c2c(n[nH]1)C=C(C[C@@H]2c3ccco3)c4ccco4
|
|
|
6
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
7
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
8
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
9
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
10
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
11
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
12
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
13
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
14
|
c1cc(oc1)CN2C3=NC(=O)[C@@](C3=C(NC2=O)[O-])(C(F)(F)F)O
|
|
|
15
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
16
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
17
|
COc1ccc(cc1)C2=COc3ccccc3C(=O)N2
|
|
|
18
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
19
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
20
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
21
|
Cc1c2cc(cnc2n(n1)C)[N-]S(=O)(=O)c3cccs3
|
|
|
22
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
23
|
Cc1c(c(n[nH]1)n2cnc3ccccc3c2=O)c4ccccc4
|
|
|
24
|
Cc1c2c(oc(c2c(=O)[nH]n1)NC(=O)Cn3ccnc3)C
|
|
|
25
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
26
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
27
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
|
28
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
29
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
30
|
CC1(C(=N[C@@H](C(=O)N1)c2ccccc2)c3ccccc3)C
|
|
|
31
|
CCC1(C(=O)NC(=Nc2cccc(c2)OC)NC1=O)CC
|
|
|
32
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
33
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
34
|
c1ccc(cc1)n2cc3c(n2)C=C[C@@H]4[C@H]3[C@@H]5[C@H]4C6C=C[C@H]7C5[C@H]7C=C6
|
|
|
35
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
36
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
37
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
38
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
39
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
40
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
41
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
42
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
43
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
44
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
45
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
46
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
47
|
|
|
|
48
|
|
|
|
49
|
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
|
|
|
50
|
Cc1c(n(c(=O)n1c2ccccc2)C)NC(=O)NC3CCCC3
|
|
|
51
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
52
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
53
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
54
|
CCOC(=O)[C@@H]1C=N[C@@H]2C=C3C(=CN2C1=O)CCCCN3C
|
|
|
55
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
56
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
57
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
58
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
59
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
60
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
61
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
62
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
63
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
64
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
65
|
c1ccc(cc1)c2nn3c(nnc3s2)c4cc5ccccc5[nH]4
|
|
|
66
|
C1C[C@@H]2C[C@H]1[C@@H]3C2=Cc4c([nH]c(=O)s4)S3
|
|
|
67
|
c1ccc(cc1)/C=C/2CCCC3=C2NC(=O)N[C@@H]3c4ccccc4
|
|
|
68
|
Cc1c(non1)[C@@H]2CCCN2C(=O)c3ccnc(c3)NC
|
|
|
69
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
70
|
C1CCC(CC1)COC(=O)N2C[C@@H]3CC[C@H]2CC(=O)O3
|
|
|
71
|
c1ccc(cc1)c2nc3n(n2)Cc4ccccc4C35CCOCC5
|
|
|
72
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
73
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
74
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
75
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
76
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
77
|
C1CCC(CC1)[C@@H]/2CC3CCCCC3C(=O)O/C=C2
|
|
|
78
|
CC1=C(OCCO1)C(=O)N2CCO[C@@H](C2)CC3CCCCC3
|
|
|
79
|
Cc1cc(=O)oc2c1c(=O)[nH]nc2c3ccccc3
|
|
|
80
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
|
81
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
82
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
83
|
Cc1ccc(cc1)N2Cc3cc(=O)n4c5ccccc5nc4c3=C2N
|
|
|
84
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4CC3)NC(=O)N2
|
|
|
85
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
86
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
87
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
88
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4OC3)N=C5N2N=CN5
|
|
|
89
|
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
|
|
|
90
|
CCOC(=O)C1=C(NC(=O)c2c(ccc(c2OC)OC)[C@@H]1O)C
|
|
|
91
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
|
92
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
93
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
94
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
95
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
96
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
97
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
98
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
99
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
100
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
101
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
|
102
|
c1ccc(cc1)[N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O
|
|
|
103
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
104
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
105
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
106
|
Cc1cc(nc2c1c3c(o2)C(=O)N(CC(=O)N3)c4ccccc4)C
|
|
|
107
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
108
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
109
|
C1CC(CCC1CC2CC(=O)C3C(S2)CCS3)F
|
|
|
110
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
|
111
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
112
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
113
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
114
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
115
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
116
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
117
|
COC(=O)c1cc(=O)n2c(c1C(=O)c3cccs3)SCC2
|
|
|
118
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
119
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
120
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
121
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
122
|
COC1=C(C(=O)O[C@@H]2[C@@H]1C=CC=C2)Cc3ccccc3
|
|
|
123
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
124
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
|
125
|
COC1=C2CCCC(=C2OC1=O)C3CCCCC3
|
|
|
126
|
c1cc(cnc1)C#Cc2c3c(nccn3c(n2)C4CCC4)N
|
|
|
127
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
128
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
129
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
130
|
|
|
|
131
|
CCSc1ncc(n1C)c2cc(c3ccccc3n2)C(=O)[O-]
|
|
|
132
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
133
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
134
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
135
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
136
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
137
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
138
|
c1ccc2c(c1)[C@@H](C(=O)N2)c3c(cc(cn3)C(F)(F)F)Cl
|
|
|
139
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
140
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
141
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
142
|
C1CCC(CC1)CC[C@@]2(CC(OC2)(C(F)(F)F)C(F)(F)F)O
|
|
|
143
|
c1ccc(cc1)S(=O)(=O)[N-]c2c3ccccc3oc2C#N
|
|
|
144
|
COc1cc2c(cc1OC)[C@@H]3CC4=C(CCCN4)C(=O)N3CC2
|
|
|
145
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
146
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
147
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
148
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
149
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
150
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
151
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
|
152
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
153
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
154
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
155
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
156
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
157
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
158
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
159
|
c1ccc(cc1)[C@@H]2C=C(N=C3C2=C(NC(=O)N3)[O-])c4ccccc4
|
|
|
160
|
CC1(c2c([nH]c(=O)s2)S[C@@H]3[C@@H]1[C@@H]4CC[C@H]3C4)C
|
|
|
161
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
162
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
163
|
Cc1c(c2c(o1)[C@@H]3CCCC[C@@H]3OC2=O)c4ccccc4
|
|
|
164
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
165
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
166
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
167
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
168
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
169
|
Cc1cc(c(n1CC=C)C)C(C)(C)c2cc(n(c2C)CC=C)C
|
|
|
170
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
171
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
172
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
173
|
c1ccc(cc1)n2c3=CNc4ccccc4N=c3[nH]c2=O
|
|
|
174
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
175
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
176
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
177
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
178
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
179
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
180
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
181
|
COC(=O)c1cc2c(o1)Sc3ccccc3NC2=O
|
|
|
182
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
183
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
184
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
185
|
[H]/N=c/n(c(c(s1)C2=c3ccccc3=NC2=O)O)C
|
|
|
186
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
187
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
188
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
|
189
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
190
|
COc1ccc(cc1c2cccc(c2)OC3(CCCC3)C(=O)[O-])F
|
|
|
191
|
Cc1ccc(cc1)N2C[C@@H]3Cc4ccccc4CN3C2
|
|
|
192
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
193
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
194
|
CCOc1nnc(s1)Cn2c(noc2=O)c3ccccc3
|
|
|
195
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
196
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
197
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
198
|
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
|
|
|
199
|
Cc1c(c2cc(ccc2[nH]1)F)CCn3cnnn3
|
|
|
200
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
201
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
202
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
203
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
204
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
205
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
206
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
207
|
CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
|
|
|
208
|
|
|
|
209
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
210
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
211
|
c1cc2c(cc1CN3[C@@H]4C=CC=C[C@H]4C(=O)C3=O)OCO2
|
|
|
212
|
C1CCC(CC1)[C@@H]2CC(=NS(=O)(=O)N2)C3CCCCC3
|
|
|
213
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
214
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
215
|
C[C@@H]1C2=C(CC(=O)N=C2C)C(=O)N1Cc3ccccc3
|
|
|
216
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
217
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
218
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
219
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
220
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
221
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
222
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
223
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
224
|
Cn1c(nnc1SC)Cn2c3ccccc3sc2=O
|
|
|
225
|
CC1=C([C@@](C(=O)N1)(C(F)(F)F)Nc2ccccn2)C(=O)OC
|
|
|
226
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
227
|
C[C@@H]1c2nc3ccccc3c(=O)n2CN1c4ccc(cc4)F
|
|
|
228
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
229
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
230
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
231
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
232
|
Cc1ccc(cc1)S(=O)(=O)Oc2nc(cc(n2)C)C
|
|
|
233
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
234
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
235
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
236
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
237
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
238
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
239
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(nnn3)N2)c4ccccc4
|
|
|
240
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
241
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
|
242
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
243
|
c1ccc(cc1)C2=NC23c4ccccc4-c5c3cccc5
|
|
|
244
|
CCN(CC)c1ccc2cc3c([o+]c2c1)CCCCC3
|
|
|
245
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
246
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
247
|
C[C@@]12CCC3=C([C@@H]1CCCC2=O)CSc4c3ccc(c4)OC
|
|
|
248
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
249
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
|
250
|
c1ccc(cc1)[C@@H]2c3c4ccccc4c(=O)[nH]c3N=C5N2C=CC=C5
|
|
|
251
|
CC1(C=Nc2c(cc(=O)c-3c(c4ccccc4n(c23)C)O)O1)C
|
|
|
252
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
253
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
254
|
C[C@@H]1c2ccsc2CCN1Cn3c4ccccc4oc3=O
|
|
|
255
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
256
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
257
|
CC1(OC(=O)C(=c2c3cccc4c3c([nH]2)ccc4)C(=O)O1)C
|
|
|
258
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
259
|
c1ccc(cc1)C2=N[C@@](C(=O)N2)(C(F)(F)F)Nc3ccccn3
|
|
|
260
|
CCNc1nc2c(s1)c(c(c(n2)N)C#N)c3ccccc3
|
|
|
261
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
262
|
Cc1nc2cc(ccc2s1)/[NH+]=c/ccc4ccccc4n3C
|
|
|
263
|
c1ccc(cc1)[C@@H]2NC(=[NH2+])Nc3n2c4ccccc4n3
|
|
|
264
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
265
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
266
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
|
267
|
c1cc2c(cc/3c(c2)/C=Nc4c(cccc4)/N=C3)cc1
|
|
|
268
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
269
|
CCCCN1c2cccnc2-c3c(cccn3)N(C1=O)CCCC
|
|
|
270
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
271
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
272
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3c(=O)ccc(n3)c4ccco4
|
|
|
273
|
|
|
|
274
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
275
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
|
276
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
277
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
278
|
c1ccc(cc1)N2CC(=O)Nc3ccccc3S2(=O)=O
|
|
|
279
|
|
|
|
280
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
281
|
c1cc(ccc1Oc2c(c3n(c(=O)c2Cl)CCS3)F)F
|
|
|
282
|
c1ccc2c(c1)ccc(n2)n3c4ccc5c(c4nn3)sc(n5)C#N
|
|
|
283
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
284
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
285
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
286
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
287
|
CC1(C=C(Oc2ccccc2O1)S(=O)(=O)c3ccccc3)C
|
|
|
288
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
289
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
|
290
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
291
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
292
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
293
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
294
|
c1ccc(c(c1)c2nnc3n2N=C(CS3)c4ccc(cc4)F)O
|
|
|
295
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
296
|
c1ccc(cc1)c2ccc(oc2=O)C(=O)c3ccccc3
|
|
|
297
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
298
|
c1ccc2c(c1)C[C@@H]3CNCc4c3c(ccc4)S2
|
|
|
299
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
300
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
301
|
CC[C@@H](C(=O)N1CCC=CC1)Nc2cccc(c2)OC
|
|
|
302
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
303
|
CC1(CC(=O)C2(C(=O)C1)OC(=NS2)c3ccc(cc3)Cl)C
|
|
|
304
|
CCOC(=O)Nc1cc2c(c(n1)N)N=C(CO2)c3ccccc3
|
|
|
305
|
c1ccc2c(c1)nc3n2C4(CCCC4)NC(=[NH+]3)N
|
|
|
306
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
307
|
Cc1c(nn(c(=O)c1C#N)Cc2nc3ccccc3o2)C
|
|
|
308
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
309
|
C1CC2C3=C4[C@@H](C=C3C1)NC(=O)[C@]45CCCC[C@@H]5C2
|
|
|
310
|
CC(C)(C)Cn1c(cc2c1nc(nc2)C#N)COc3ccncc3
|
|
|
311
|
Cc1cc(c(c(c1)C)Oc2c(c(cc(n2)C)O[C@@H]3CCOC3)C)C
|
|
|
312
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
313
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
314
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
315
|
|
|
|
316
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
317
|
Cn1c(c(c(=O)[nH]c1=O)Oc2ccc(cc2Cl)F)N
|
|
|
318
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
319
|
|
|
|
320
|
CC1(C(=O)CCC1=O)C/C=C/2CCC3C2CCC(C3)OC
|
|
|
321
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
|
322
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
323
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
324
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
325
|
c1ccc(cc1)C2=Nc3nnnn3[C@@H](C2)c4ccccc4Cl
|
|
|
326
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
|
327
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
328
|
Cncc([nH]/c1=NC(=O)C23CC4CC(C2)CC(C4)C3)[O-]
|
|
|
329
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
|
330
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
331
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
332
|
c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
|
|
|
333
|
c1ccc2c(c1)CC[C@@]3(C2)Nc4ccccc4S3
|
|
|
334
|
C[C@@H]1c2nc3ccccc3n2[C@@H](O1)c4ccccc4
|
|
|
335
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
|
336
|
Cc1csc(=O)n1CCn2cc(ccc2=O)C(F)(F)F
|
|
|
337
|
Cc1ccc(c(=O)[nH]1)C(=O)O/C2=CC3=NC=CC3
|
|
|
338
|
c1cc(ccc1c2ncc(s2)c3ccc(c(n3)[O-])C#N)Cl
|
|
|
339
|
CC1=Nc2c(c(n(n2)c3ccccc3)O)C(=O)CC1
|
|
|
340
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
|
341
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2cc[nH]n2
|
|
|
342
|
c1ccc2c(c1)[nH]c(n2)[C@H](C#N)c3c(nc(c(n3)C#N)C#N)Cl
|
|
|
343
|
Cc1csc(n1)[C@@H](C#N)C2=NS(=O)(=O)c3c2cccc3
|
|
|
344
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
345
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
346
|
CC(C)(C)n1c(=O)nc2n1cc(s2)N(C)c3ccccc3
|
|
|
347
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
348
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
349
|
CC1C(NNC(C1C#N)SC2CC(CCC2F)F)C
|
|
|
350
|
CN(C)c1nc([nH]/c(=NS(=O)(=O)c2ccc(cc2)Cl)/n1)N
|
|
|
351
|
CCn1c2ccccc2nc(c1=O)[C@H]3c4ccccc4NC3=O
|
|
|
352
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
|
353
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
354
|
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4cccnc4)CS2
|
|
|
355
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
356
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
357
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
358
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
|
359
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
360
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
361
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
|
362
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
363
|
c1ccc2c(c1)cc(c(=O)o2)C3=Nc4ccccc4S(=O)(=O)N3
|
|
|
364
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(=O)[nH]n2
|
|
|
365
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
366
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
367
|
CC[C@@H](c1nc(no1)C)NCc2cn(nc2C)CC=C
|
|
|
368
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
|
369
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
370
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
371
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
372
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
|
373
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
374
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
375
|
c1ccc2c(c1)ccc3c2C4=C(CCC4)[C@@H](N3)c5ccncc5
|
|
|
376
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
377
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
378
|
CCn1c2ccccc2nc1c3cnn(n3)c4ccccc4
|
|
|
379
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2C=CC=C3)C#N
|
|
|
380
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
381
|
c1ccc(cc1)O[C@@H]2C[C@H]3CC[C@@H]2[C@@H]4[C@@H]3C=C4
|
|
|
382
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
383
|
c1ccc2c(c1)[C@@H]3c4c([nH]c(=O)s4)SC=C3CO2
|
|
|
384
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
385
|
c1ccc(c(c1)[C@@H]2c3ccsc3[C@@H]4CCCC[C@@H]4O2)N
|
|
|
386
|
Cc1c(sc(n1)C)c2cc(n3c(n2)c(cn3)c4ccccc4)[O-]
|
|
|
387
|
Cc1cc(c(cc1N2C(=NC3(C2=O)CCCCC3)C)OC)OC
|
|
|
388
|
CCc1c2cc(ccn2c(=O)c3c1s[nH]c3=O)c4ccncc4
|
|
|
389
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
390
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
391
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
392
|
CCnccnc(/c1=Nc2ccc(cc2)OC)N3CCOCC3
|
|
|
393
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
|
394
|
C[C@@H](C(=O)N1CCCS1(=O)=O)Oc2ccc(cc2)C#N
|
|
|
395
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
396
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
397
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
398
|
CC1CC(N2C1[C@@H](CC2)O)C3(C(=O)C4CCCCC4C3=O)O
|
|
|
399
|
C1CCC2CC3C(CC2C1)[C@@]4(C5CCCCC5C(=O)[C@@]4(O3)O)O
|
|
|
400
|
Cc1ccc(cc1)[N-]C2=NS(=O)(=O)c3cc(ccc3S2)F
|
|
|
401
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
402
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
403
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
404
|
CCOC(=O)C1=C(C[C@@H](N[C@@H]1c2ccccc2)c3ccccc3)N
|
|
|
405
|
CC1([C@@](c2ccccc2O1)(c3ccc4ccccc4n3)O)C
|
|
|
406
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
407
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
408
|
Cc1cccc(n1)C#CCSc2ccccc2
|
|
|
409
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
410
|
CN1C(=O)C(=C(C12CCC2)N)S(=O)(=O)c3ccc(cc3)Cl
|
|
|
411
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
412
|
Cc1ccc(cc1)n2c(c(nn2)C(=O)n3c(cc(n3)C)C)C
|
|
|
413
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
414
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
415
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
416
|
c1ccc(c(c1)C2=N/C(=Cc3ccco3)/C(=N2)O)Br
|
|
|
417
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
|
418
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
419
|
|
|
|
420
|
C1CCC2C(C1)C(=O)C3C(O2)CC4(CCCCC4)OC3=O
|
|
|
421
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
422
|
Cc1c2ccc3c(c2oc(=O)c1Br)[nH]c(=O)o3
|
|
|
423
|
c1ccc2c(c1)[C@@H](C(=O)N2)[C@@H]3C(=O)Nc4ccccc4S3
|
|
|
424
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
|
425
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
426
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
|
427
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
428
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
429
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
430
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
431
|
c1ccc(cc1)/N=c/n(c(cs2)O)c3ccccc3
|
|
|
432
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
433
|
CC1(CC2=C[C@@H]3C[C@]2([C@@H]4[C@@H]3CC5=C4CC(OC5=O)(C)C)C(=O)O1)C
|
|
|
434
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
435
|
CC(=O)c1ccc2c(c1)SCc3ccccc3O2
|
|
|
436
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
|
437
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
438
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
439
|
C1C2CC3CC1CC(C2)C34C=C(N=C(N4)N)C(F)(F)F
|
|
|
440
|
Cc1ccc(cc1)n2c(nnn2)c3cn[nH]c3c4ccccc4F
|
|
|
441
|
CC1(CC2=N[C@@H](N=C2C(=O)C1)c3ccccc3)C
|
|
|
442
|
CC1(CO[C@@]2([C@@H]1O)OC[C@@H](O2)COC3CCCCC3)C
|
|
|
443
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
444
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
445
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
|
446
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
447
|
Cc1cc(no1)Nc2c3ccccc3nc4c2cccc4
|
|
|
448
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
449
|
COC(=O)[C@@]12CC3CCCCC3[C@@H]([C@@H]1C4C2CCCC4)O
|
|
|
450
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
451
|
CSc1c(cc(c(=O)[nH]1)c2cccs2)C#N
|
|
|
452
|
COc1ccc(cc1)[C@H]2C(=C(C2=O)c3ccc(cc3)OC)[O-]
|
|
|
453
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
454
|
c1ccc2c(c1)c(nnn2)Nc3ccccc3Cl
|
|
|
455
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
456
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
|
457
|
Cc1c(ccc(=O)n1c2ccccc2)n3c4ccccc4nn3
|
|
|
458
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
459
|
COCCSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4
|
|
|
460
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
461
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
462
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
463
|
COC1CCC2C(C1)O[C@@]3(C4CC5C(CC4O[C@@H]3C2)OCO5)O
|
|
|
464
|
c1ccc2c(c1)nc(c3n2cnn3)Nc4cc(ccc4O)Cl
|
|
|
465
|
CN1C2C(C(=O)N(C1=O)C)NC3C4CCCCC4OC3N2
|
|
|
466
|
COc1cc(cc(c1OC)Cl)/C=C/[C@@H](c3ccccc3O2)O
|
|
|
467
|
Cc1csc(=O)n1CC(=O)ncccc/c2=NC(C)C
|
|
|
468
|
CC(C)(C)OC(=O)N1CCc2c(ncnc2Cl)CC1
|
|
|
469
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
470
|
Cn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
471
|
COC(=O)c1c(snn1)[N-]S(=O)(=O)c2ccccc2
|
|
|
472
|
c1ccc(cc1)N(CCC#N)c2c(c3ccccc3s2)Cl
|
|
|
473
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
474
|
c1ccc(cc1)c2c3c(c(c(c2C#N)N)C#N)CCC3
|
|
|
475
|
|
|
|
476
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
477
|
CN(C)C1NC(NC(N1)N(C)CN(C)C2CCCCC2)N(C)C
|
|
|
478
|
c1ccc2c(c1)c(c-3c(n2)CSc4c3cc(cc4)Cl)C(=O)[O-]
|
|
|
479
|
Cc1ccc2c(c1)C(=O)C[C@@H](O2)c3ncc(n3C)Cl
|
|
|
480
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
|
481
|
C[C@@H]1c2nc3ccccc3n2CN(CO1)c4ccc(cc4)F
|
|
|
482
|
c1ccc2cc(ccc2c1)Nc3ccc(cc3)O
|
|
|
483
|
c1ccc(cc1)c2cn-3c([nH+]2)CCc4c3c5c(cccn5)cc4
|
|
|
484
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
485
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
486
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
487
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
488
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
|
489
|
CC1=C2C=CC=C[C@@H]2c3nc4ccc(cc4n3N1)Cl
|
|
|
490
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
491
|
CC1=CC(NC(=O)N1c2ccccc2)(C)C
|
|
|
492
|
|
|
|
493
|
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
|
|
|
494
|
c1ccc2c(c1)-c3nncn3-c4ccccc4S2
|
|
|
495
|
CN1C2C(C(=O)[NH]C1=O)N/C(=C/3C=CC(=O)C(=C3)OC)/C=N2
|
|
|
496
|
Cc1c([o+]c(nc1c2ccccc2)c3ccccc3)/C=CN(C)C
|
|
|
497
|
CC(=O)Nc1cc2c(s1)C3(CCCCC3)CC(=O)N2
|
|
|
498
|
c1ccc(cc1)c2cn3c(=O)c4ccccc4sc3c2C#N
|
|
|
499
|
Cc1c2ccccc2nc-3c1CSc4c3cccc4F
|
|
|
500
|
c1ccc2c(c1)[C@@H]3[C@@H](S2(=O)=O)n4cnc5c4c(ncn5)S3
|
|
|
501
|
COc1ccc(cc1)[C@@H]2C(=NC(=O)N2)c3ccc(cc3)OC
|
|
|
502
|
CCOC1=C[C@@H](Oc2c1cccc2)c3ccc(cc3)F
|
|
|
503
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
504
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
505
|
Cc1c2c([nH]c(=O)n(c2=O)Nc3ccc(cc3)O)sn1
|
|
|
506
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
507
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
508
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
509
|
CC1(OC2=C([C@@H]3c4ccccc4OC[C@@H]3CO2)C(=O)O1)C
|
|
|
510
|
c1csc(c1C#N)n2cc(c(=O)[nH]c2=O)C#N
|
|
|
511
|
c1ccc2c(c1)C=C[C@H]3N2C[C@@H]4[C@@H]3[C@H]5CO[C@@H](C4=O)O5
|
|
|
512
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
513
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
514
|
|
|
|
515
|
C1CCC2C(C1)C[C@@H]3[C@@H]2C4CCCCC4N3
|
|
|
516
|
Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3cc[nH]n3
|
|
|
517
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
518
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
519
|
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
|
|
|
520
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
521
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
522
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
|
523
|
Cc1cc-2n(n1)[C@@H](Nc3c2cccc3)c4cccnc4
|
|
|
524
|
CC1CCC(CC1)S(=O)(=O)N2CCN3C2C(CN3)C#N
|
|
|
525
|
|
|
|
526
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
527
|
c1cc(oc1)c2cn3c4ccc(c(c4n5c3c2CCCC5)F)F
|
|
|
528
|
Cn1c(c(c(=O)n(c1=O)C)C#N)n2c3ccccc3nn2
|
|
|
529
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
530
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
531
|
|
|
|
532
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
|
533
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
534
|
C1CCC2C(C1)CC[C@@H]3N2[C@@H]4C5CCCCC5C(=O)N4CC3
|
|
|
535
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
|
536
|
|
|
|
537
|
C1=C/C/2=C/C(=O)NC=CC=C/C3=C/C(=O)N2C=C1
|
|
|
538
|
c1c2c(sc1Cn3cc(c(nc3=O)[O-])C#N)CCCC2
|
|
|
539
|
|
|
|
540
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
|
541
|
CCCCc1ccc(cc1)On2ccc(=O)cc2
|
|
|
542
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
543
|
c1cc2c3c(c1)NC(=O)C4=C(N3CCC2)CCC4
|
|
|
544
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
545
|
Cc1cccc2c1nc3c(c2)C=Nc4ccccc4S3
|
|
|
546
|
CCOC(=O)C1=C(Sc2ccccc2C1)NC(=O)C
|
|
|
547
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
|
548
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
|
549
|
Cn1c2c(cn1)[C@@H](CCC2)Nc3c(cccn3)C#N
|
|
|
550
|
c1ccc(c(c1)Nc2c(c(c(c3n2nnn3)C#N)Cl)Cl)F
|
|
|
551
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
552
|
CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
|
|
|
553
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
554
|
Cc1ccc(cc1)C2=CSNC(=N2)c3ccccc3OC
|
|
|
555
|
CN1[C@@H](C(=CC1=O)n2c3ccccc3nn2)Cc4ccccc4
|
|
|
556
|
Cc1c(c(=O)on1C(=O)N(C)c2ccccn2)C(C)C
|
|
|
557
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
558
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
559
|
Cc1c2c(n[nH]1)Oc3c(c(c(c(=O)[nH]3)C#N)N)[C@@H]2c4ccccc4
|
|
|
560
|
C1CCC2C(C1)C3C([NH]2)C(=O)C(CS3)C#N
|
|
|
561
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
562
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
563
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
|
564
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
|
565
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
566
|
COC(=O)[C@@H]1CC/C(=C(C#N)/C2=N[C@@H](CC2)C(=O)OC)/N1
|
|
|
567
|
CC1=CC(=C2C=CC(=[O+]C)C=C2)C=C(S1)c3ccccc3
|
|
|
568
|
CN1c2ccccc2N[C@@H]3[C@@H]1[C@@H](C(=N3)OC)c4ccccc4
|
|