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Virtual screening for IDP 3GSE - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
|
2
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
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3
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
4
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
5
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
6
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
7
|
Cc1cc(=O)n2c(n1)sc(n2)n3cnc(n3)C#N
|
|
|
8
|
Cc1c(scn1)c2[n-]c3cc(cnc3n2)Br
|
|
|
9
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
10
|
c1ccc2c(c1)ncc(n2)n3cnc(n3)C#N
|
|
|
11
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
12
|
Cc1c(c[nH]n1)c2nc(sn2)Nc3ccccc3
|
|
|
13
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
14
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
15
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
16
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
17
|
CC(C)c1nnc(o1)c2cc3c(nn(c3s2)C)C(F)(F)F
|
|
|
18
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
19
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
20
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
21
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
22
|
c1ccc2c(c1)nc(o2)n3cnc(n3)C#N
|
|
|
23
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
24
|
Cc1cc(c(cc1N2C(=NC3(C2=O)CCCCC3)C)OC)OC
|
|
|
25
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
26
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
27
|
c1cc(ccc1C2=C/C(=C/3C=C(C=CC3=O)Cl)/ON2)F
|
|
|
28
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
29
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
30
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
31
|
c1ccc(cc1)CCc2cnccn2
|
|
|
32
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
33
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
34
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
35
|
C#CCCCNc1c(=O)n(cc(n1)Cl)c2ccccc2
|
|
|
36
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
37
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
|
38
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
39
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
|
40
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
41
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
|
42
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
|
43
|
|
|
|
44
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
45
|
Cc1nnc(o1)c2c(oc(n2)c3ccccc3)N
|
|
|
46
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
47
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
48
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
49
|
CCOC(=O)N1CCN(CC1)C2NNC3NCCN3N2
|
|
|
50
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
51
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
|
52
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
53
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
54
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
55
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
56
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
57
|
c1cc(ccc1[C@@H]2C=Cc3cc(cnc3O2)Cl)Cl
|
|
|
58
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
|
59
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
60
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
61
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
62
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
63
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
64
|
CS(=O)(=O)c1ccc(cc1)c2nnc(s2)[C@@H]3CCC=CC3
|
|
|
65
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
|
66
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
67
|
c1cc(oc1)Cn2c(=O)c3cnc(nc3nc2[O-])n4ccnc4
|
|
|
68
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
69
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
70
|
CCCN(C)c1ccc2c3c(cn2n1)c(nn(c3=O)C)Cl
|
|
|
71
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
72
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
73
|
c1ccc(cc1)n2nc3c(n2)-c4c(non4)CC3
|
|
|
74
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
75
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
76
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
|
77
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
78
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
79
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
80
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
81
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
82
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
|
83
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
84
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
85
|
c1c2c(cc(c1N3CCCC3)F)nc(c(n2)N)C#N
|
|
|
86
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
87
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
88
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
89
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
|
90
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
91
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
92
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
93
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
94
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
95
|
CC(=C)[C@@H](C(=O)OC)N1C(=O)C(CS1)NCC2CCCCC2
|
|
|
96
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
97
|
COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
|
|
|
98
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
99
|
c1ccc(cc1)CNc2cnccn2
|
|
|
100
|
|
|
|
101
|
c1ccc2c(c1)nc3c(n2)nc[n-]3
|
|
|
102
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
103
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
104
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
105
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
|
106
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
107
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
108
|
Cc1c(sc(n1)c2ccccc2)c3nnc(n3C)SC
|
|
|
109
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
110
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
111
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
112
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
|
113
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
114
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
115
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
116
|
Cc1c(cco1)c2nc3n(n2)C[C@@H]4[C@@H]3C=CC=C4
|
|
|
117
|
CC1C(CNO1)/C=C/C2CCON2
|
|
|
118
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
119
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
120
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
121
|
c1ccc2c(c1)nc(o2)n3c4ccccc4oc3=O
|
|
|
122
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
123
|
Cc1c(c(on1)C)c2nc(no2)CN3CCOCC3
|
|
|
124
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
|
125
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
126
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
127
|
CC(C)(C)c1ncc(s1)c2nc3c(cccn3)c(n2)[O-]
|
|
|
128
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
|
129
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
130
|
CN1[C@@H]2C=C[C@H](C1=O)C3C2CCCC3
|
|
|
131
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
|
132
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
133
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
134
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
|
135
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
|
136
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
137
|
CCc1c(nc(c(n1)NC(CC)CC)CC)Nc2ccccn2
|
|
|
138
|
c1cnccc1c2cnc3c(cnn3c2)C4=CCCC4
|
|
|
139
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
140
|
|
|
|
141
|
Cc1nc(no1)CSc2ccccc2
|
|
|
142
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
143
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
144
|
CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
|
|
|
145
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
|
146
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
|
147
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
148
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
149
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
150
|
CC(C)(C)OC(=O)N1c2cscc2-c3cccnc3[C@@H]1O
|
|
|
151
|
CCOC(=O)c1cnn2c1nnn(c2=O)c3ccccc3
|
|
|
152
|
Cc1cc(nc(n1)SC)C(=O)Nc2c(nsc2C)C
|
|
|
153
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
154
|
CN(CCc1ccccn1)c2nc(=[N+](C)C)ss2
|
|
|
155
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
156
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
157
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
158
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
159
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
160
|
c1ccc(cc1)c2cc3c(nccn3n2)Cl
|
|
|
161
|
CSc1c(c(sn1)SC)NC(=O)OC[C@@H]2CCCO2
|
|
|
162
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
163
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
164
|
CCCCC#C/C=C/COC(=O)C
|
|
|
165
|
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
|
|
|
166
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
167
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
|
168
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
169
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
170
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
|
171
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
172
|
C1CCC(CC1)C2=N[C@@H]3C4CCCCC4[C@H]2O3
|
|
|
173
|
c1cnccc1c2nc3n(n2)CCC3
|
|
|
174
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
175
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
176
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
|
177
|
CC1(C(=Cc2c(nc3ccccc3n2)O1)OC)C
|
|
|
178
|
CCOC(=O)C1=CNc2ccccc2N=C1N
|
|
|
179
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
180
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
|
181
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
182
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
183
|
|
|
|
184
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
185
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
186
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
187
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
188
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
189
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
190
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
191
|
c1ccc-2c(c1)-c3c2nc4ccccc4n3
|
|
|
192
|
Cc1nnc(o1)C(=O)Nc2ccccc2
|
|
|
193
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
194
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
|
195
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
196
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
197
|
Cc1c(=O)n2c(nn1)n(cn2)Cc3ccccc3
|
|
|
198
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
199
|
CCC(=O)Nc1cnn(c1)Cc2nnnn2CCOC
|
|
|
200
|
CCCCc1ccc(cc1)On2ccc(=O)cc2
|
|
|
201
|
[H]/N=c/n(cc(o1)c2ccc(cc2)CC)c3nc(cc(n3)C)C
|
|
|
202
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
203
|
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
|
|
|
204
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
205
|
C1CCC(CC1)NN2CNC3C2C4CCCCC4CC3
|
|
|
206
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
207
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
208
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
209
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
|
210
|
CC(C)CC(=O)N1CCN(CC1)C[C@@H]2C=N[C@@H]3[C@@H]2C=CC=C3
|
|
|
211
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
212
|
Cc1nc2ccccc2c3n1nc(n3)n4cnnn4
|
|
|
213
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
214
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
215
|
c1ccc2c(c1)c3n(n2)C(=O)c4ccccc4C3=O
|
|
|
216
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
217
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
218
|
C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
|
|
|
219
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
|
220
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
221
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
222
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
223
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
|
224
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
225
|
CC1=CC(=C2C=CC(=[O+]C)C=C2)C=C(S1)c3ccccc3
|
|
|
226
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
227
|
COC(CNC1=Nc2c(cccn2)OC1)OC
|
|
|
228
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
229
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
230
|
Cc1c(nccn1)c2ccnn2S(=O)(=O)c3ccccc3
|
|
|
231
|
Cc1cc(cc([o+]1)C)/C=C/c2ccccc2
|
|
|
232
|
c1ccc2c(c1)C(=C(CS2)C(=O)Nc3ccccn3)[O-]
|
|
|
233
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
234
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
235
|
CCOC(=O)CCc1cn2cc(nc(c2n1)OC)Br
|
|
|
236
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
|
237
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
238
|
CCc1nnc(s1)/N=C(/[C@@H](C2CCCC2)NC(=O)C)[O-]
|
|
|
239
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
240
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
241
|
c1cc(ccc1[C@@]2(CCOC2)c3nc(on3)c4ccsc4)F
|
|
|
242
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
243
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
244
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
245
|
C[C@@]1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
|
|
|
246
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
|
247
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
248
|
CCOC(=O)c1cc2c3ccccc3oc2s1
|
|
|
249
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
250
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
251
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
252
|
COC(=O)Nc1c(ccs1)OCc2ccc(cc2)Cl
|
|
|
253
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
|
254
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
255
|
c1ccc(cc1)COc2cnc(nc2)C#N
|
|
|
256
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
257
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
258
|
Cc1c-2c(n(n1)c3ccccn3)CCc4c2onc4
|
|
|
259
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
260
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
261
|
Cc1c(sc(n1)C)c2cc[nH]n2
|
|
|
262
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
263
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
264
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
265
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
|
266
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
267
|
Cc1c2cc(cnc2on1)S(=O)(=O)[N-]c3cccnc3
|
|
|
268
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
269
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
270
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
271
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
272
|
c1ccc(cc1)[C@@H]2N(C(=O)C=C(O2)c3ccccc3)c4ccccc4
|
|
|
273
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
274
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
275
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
|
276
|
COCCN1[C@@H]([C@@H](C1=O)Sc2ccccc2)c3cccs3
|
|
|
277
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
|
278
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
279
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
280
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
281
|
Cc1c-2nc(c(=O)cc2n(n1C)c3ccccc3)c4ccccc4
|
|
|
282
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
|
283
|
C1CC(CC(C1)BR)C2CN3CNSC3N2
|
|
|
284
|
CCOC(=O)C1=NC2=CCn3ccnc3C2=C1
|
|
|
285
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@@H]4C=C[C@H]3[C@@H]5[C@@H]4C=C5
|
|
|
286
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
287
|
Cc1ccc(cc1)[C@@H]2Cc3c(c[nH]n3)C(=O)C2
|
|
|
288
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
289
|
c1ccnc(c1)NC(=O)c2[n-]nnn2
|
|
|
290
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
291
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
292
|
c1ccc2c(c1)nc3c(n2)Sc4c(cccn4)O3
|
|
|
293
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
294
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
295
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
296
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
297
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
298
|
c1ccc2c(c1)[C@H]3C[C@@H]([C@@H]2N3)c4ccc(nc4)Cl
|
|
|
299
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
300
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
301
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
302
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
|
303
|
c1cnccc1CSc2nncs2
|
|
|
304
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
305
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
306
|
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c2ccccn2
|
|
|
307
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
308
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
|
309
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
310
|
|
|
|
311
|
CCCSc1ncc(cn1)CN[C@@H](CC)c2ncnn2C
|
|
|
312
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
313
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
314
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
315
|
Cc1nc2cc(ccc2s1)/[NH+]=c/ccc4ccccc4n3C
|
|
|
316
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
|
317
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
318
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
319
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
320
|
|
|
|
321
|
CC(=O)O[C@H]1C[C@@H]2C=C[C@](C1)(O2)CN(C)C(=O)OC
|
|
|
322
|
C[C@@H]1C2C(CC(NC2[O-])OC(=O)C)C(=N1)OC(=O)C
|
|
|
323
|
COC(=O)c1c(ccs1)Oc2ncccn2
|
|
|
324
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
325
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
326
|
|
|
|
327
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
|
328
|
Cc1c2c(nc(n1)C)Oc3ccc4ccccc4c3C2
|
|
|
329
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
330
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
331
|
Cc1c2cc(sc2nc3c1[nH]c(cc3=O)[O-])c4cccs4
|
|
|
332
|
C[NH+](C)c1ccc(cc1)C2=C3CCCCN=C3ON2
|
|
|
333
|
Cc1c(nnn1c2nc(nc(n2)OC)N(C)C)C(=O)C
|
|
|
334
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
335
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
336
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
337
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
338
|
Cc1cc(nc(n1)SC)n2ccc(=O)[nH]c2=O
|
|
|
339
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
|
340
|
CC1(c2ccccc2C(=[O+]1)c3ccc(cc3)OC)C
|
|
|
341
|
|
|
|
342
|
c1c[nH]nc1Nc2c(nc(c(n2)Cl)Cl)Cl
|
|
|
343
|
C1CCC(CC1)[C@@H]2C[C@@H]2NC3=NCCO3
|
|
|
344
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
345
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
346
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
347
|
CCSc1nnc(s1)N/C(=C/Sc2ncccn2)/[O-]
|
|
|
348
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
|
349
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
|
350
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
351
|
c1ccnc(c1)c2ccc(s2)NC(=O)N3CCOCC3
|
|
|
352
|
c1cc(oc1)/C=C/c2nn3cnnc3s2
|
|
|
353
|
CCn1/c(=N/C(=O)C)/sc(n1)SCc2ccccc2
|
|
|
354
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
355
|
|
|
|
356
|
CC1C2C(C([NH]1)C3CCCCC3)NC(OC2=O)C
|
|
|
357
|
c1ccc2c(c1)nc3c(n2)Sc4nncn4N3
|
|
|
358
|
c1ccc2c(c1)cc([nH]2)c3nn4cnnc4s3
|
|
|
359
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
360
|
Cc1ccc(n1c2cnccn2)C
|
|
|
361
|
CC[C@@]1(Cc2ccccc2O1)c3[nH]ccn3
|
|
|
362
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
|
363
|
c1cc(ccc1Oc2nc(ns2)Cl)F
|
|
|
364
|
CCOC(=O)C1=C(Sc2ccccc2C1)NC(=O)C
|
|
|
365
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
366
|
c1cnc(c(n1)C#N)n2ccnc2
|
|
|
367
|
|
|
|
368
|
Cc1c(non1)OCCOc2c(non2)C
|
|
|
369
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
370
|
CCOC(=O)N1CCC(=CC1)c2c(nn(c2N)C)C
|
|
|
371
|
C1CC(CCC1CC2CC(=O)C3C(S2)CCS3)F
|
|
|
372
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
373
|
CCOC(=O)c1ccc(cc1)n2c(=O)oc(n2)C
|
|
|
374
|
c1cc2c(cc1F)cc(c(=O)o2)c3csnn3
|
|
|
375
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
376
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
377
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
378
|
Cc1nn(c(=O)c2n1ccn2)CC(=O)OC
|
|
|
379
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
|
380
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
381
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
|
382
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
|
383
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
384
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
|
385
|
CN1c2ccccc2S[C@@]13COc4ccccc4O3
|
|
|
386
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
|
387
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
388
|
Cc1c(sc(n1)c2ccccc2)c3nnc(o3)C4CC4
|
|
|
389
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
|
390
|
|
|
|
391
|
|
|
|
392
|
|
|
|
393
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
394
|
CCN(CC)c1ccc2cc3c([o+]c2c1)CCCCC3
|
|
|
395
|
CC(C)(C)C1NNNN1CN2CCN(CC2)S(=O)(=O)C
|
|
|
396
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
397
|
CC(C)(C)c1csc(n1)c2ccc(nc2)n3cncn3
|
|
|
398
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
399
|
COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
|
|
|
400
|
Cc1cc(c(nc1OC)C)Nc2c(=O)n(nc(n2)C)[C@@H](C)C3CC3
|
|
|
401
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
|
402
|
C[C@@]12C[C@@H](c3ccccc3O1)NC(=O)N2C
|
|
|
403
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
404
|
CC1(Cc2c(cc3c(n2)[nH]c(=O)[nH]3)CO1)C
|
|
|
405
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
|
406
|
Cc1nc2c(s1)c(nnc2[O-])c3ccco3
|
|
|
407
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
408
|
C1C[C@@H]2C[C@H]1[C@@H]3C2=Cc4c([nH]c(=O)s4)S3
|
|
|
409
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
410
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
411
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
412
|
CCO[C@@H](C#Cc1ccccc1)n2cncn2
|
|
|
413
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
|
414
|
CN(C)c1nc([nH]/c(=NS(=O)(=O)c2ccc(cc2)Cl)/n1)N
|
|
|
415
|
CC(=O)c1csc(n1)c2ccno2
|
|
|
416
|
Cc1c(c(sn1)C)Nc2c(c(ncn2)SC)C#N
|
|
|
417
|
CCOC(=O)N=c1oc2ccccc2o1
|
|
|
418
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
419
|
CSC1NC2C(S1)NC(OC2=O)C3CCCCC3
|
|
|
420
|
Cc1c(cn(n1)CC=C)CNCc2c(nns2)C
|
|
|
421
|
CCOC(=O)C1=C2[C@@H](c3ccccc3OC2=O)N(C(=O)C1)C
|
|
|
422
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
423
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
424
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
|
425
|
c1ccc2c(c1)nc(s2)n3cnc(n3)C#N
|
|
|
426
|
C[C@@H]1C(=C/C(=C/n2c3ccccc3nn2)/O1)c4ccccc4
|
|
|
427
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
|
428
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
429
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
430
|
Cc1c(c(nc(n1)C)SCc2nnc(s2)SC)C(=O)C
|
|
|
431
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
|
432
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
433
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
434
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
|
435
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
|
436
|
CCn1cnc2c3c(sc2c1=O)SCC(=O)N3
|
|
|
437
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
|
438
|
c1ccc(cc1)CNc2ncco2
|
|
|
439
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
|
440
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
441
|
Cc1c(=O)n2c(nn1)sc(n2)c3ccco3
|
|
|
442
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
443
|
Cc1cc(sn1)NC(=O)c2ccco2
|
|
|
444
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
|
445
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
446
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
|
447
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
448
|
|
|
|
449
|
c1ccc2c(c1)N3CCCN2c4c3cc(nn4)Cl
|
|
|
450
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(s3)Br
|
|
|
451
|
c1ccc(cc1)SCc2cnc(s2)Cl
|
|
|
452
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
|
453
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
454
|
CN1C2C(C(=O)N(C1=O)C)NC3C4CCCCC4OC3N2
|
|
|
455
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
|
456
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
457
|
c1ccc(cc1)n2cc(nc2)NC(=O)n3ccccc3=O
|
|
|
458
|
c1ccc(cc1)c2ncc(s2)c3ccno3
|
|
|
459
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
460
|
Cc1nc(cs1)Cn2c(=O)oc(n2)c3ccc(cc3)F
|
|
|
461
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
462
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
463
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
464
|
Cc1nc(c(s1)c2nc[nH]n2)C(F)(F)F
|
|
|
465
|
C[C@@]12C=CC=C[C@@H]1NC(=C3C(=O)c4ccccc4C3=O)C=C2
|
|
|
466
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
|
467
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
|
468
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
|
469
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
|
470
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
471
|
c1ccc(cc1)[C@@H]2CCCn3c2cc4c3cccc4
|
|
|
472
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
|
473
|
COc1ccccc1C/C=C/c2cccs2
|
|
|
474
|
Cc1cnc(o1)CSc2ccccc2
|
|
|
475
|
CCOC1C-2C(NC(N1)N)CCC3C2CCCC3
|
|
|
476
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
477
|
c1ccc2c(c1)c(=O)c(=Nc3ccccn3)c2=O
|
|
|
478
|
CCO[C@@H]1C=C(Oc2c1cccc2)c3ccc(cc3)F
|
|
|
479
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
480
|
c1ccc(cc1)n2c3=CNc4ccccc4N=c3[nH]c2=O
|
|
|
481
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
482
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
483
|
C1CCC2C(C1)C3=NC4CCNCC4CN3C2=O
|
|
|
484
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
485
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
486
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
487
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
488
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
489
|
c1ccnc(c1)c2cn(cn2)c3cccc(c3)C#N
|
|
|
490
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
491
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
492
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
|
493
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
494
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
495
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
|
496
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
|
497
|
Cc1c(oc2c1c3nc(nn3cn2)c4cccnc4)C
|
|
|
498
|
CCN1CC(=O)N=C1NCCc2cccc(c2)Cl
|
|
|
499
|
C1CCC(CC1)C2=CC[C@@]3(CC=C(N=C3N2)C4CCCCC4)C#N
|
|
|
500
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
501
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
|
502
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
503
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
504
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
505
|
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
|
|
|
506
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
507
|
c1ccc(cc1)/C=C/C#Cc2ccccc2
|
|
|
508
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
|
509
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
510
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
|
511
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
512
|
|
|
|
513
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
514
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
|
515
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(cnn3)N2)c4ccco4
|
|
|
516
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
517
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
518
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
519
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
520
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
|
521
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
|
522
|
Cc1c2cnn(c(=O)c2c(s1)NC(=O)C)c3ccccc3
|
|
|
523
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn2C)C(F)(F)F
|
|
|
524
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
525
|
c1ccc2c(c1)c3ccc(cc3o2)n4ncnn4
|
|
|
526
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
527
|
c1cnn(c1)Cc2cnc(s2)Cl
|
|
|
528
|
c1ccc(cc1)C2=Nc3ccccc3NC=C2
|
|
|
529
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
530
|
C=CCNc1nc(nc(n1)n2ccnc2)c3ccccc3
|
|
|
531
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
532
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
|
533
|
c1ccc2c(c1)nnn2Cn3cccc3
|
|
|
534
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
535
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
536
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
537
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
|
538
|
c1ccc(cc1)/C/2=N/c3ccccc3NC(=O)c4c2cccc4
|
|
|
539
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
|
540
|
Cc1c(c(on1)C)c2nc(no2)c3ccccc3
|
|
|
541
|
c1ccc2c(c1)nc3n2CN=C4N3CN(CN4)CCO
|
|
|
542
|
Cc1cc(n(n1)C(C)C)OC(=O)N(C)C
|
|
|
543
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
|
544
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
545
|
|
|
|
546
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
547
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
548
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
|
549
|
Cc1nc(c(o1)C(F)(F)F)c2nc(on2)c3ccccc3
|
|
|
550
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
551
|
Cc1nn(c(=O)c2n1c3c(c2)ccs3)CCCC#N
|
|
|
552
|
C1CC(CCC1/C/2=C/C(=O)OC3CC(CCC3C[C@@H]2O)O)O
|
|
|
553
|
c1ccc(cc1)c2c(cno2)c3nnnn3c4ccccc4
|
|
|
554
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
555
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
556
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
|
557
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
558
|
Cc1ccc(cc1)S(=O)(=O)/N=c/n(/c(=N/C)/ss2)C
|
|
|
559
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
560
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
|
561
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
562
|
Cn1cc(cn1)c2cnccn2
|
|
|
563
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
564
|
c1ccc(cc1)NC(=O)Nc2ccno2
|
|
|
565
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
566
|
c1c[nH]c2c1ncc(n2)Cl
|
|
|
567
|
CC(C)(C)OC(=O)n1cc2c(c1)CC(C2)C(=O)[O-]
|
|
|
568
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2 |