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Virtual screening for IDP 3TY6 - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
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2
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
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3
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
4
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
5
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
6
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
7
|
c1ccc(cc1)C2=C(C=NC(=C3C=CC(=O)C=C3)N2)c4cnccn4
|
|
|
8
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
9
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
10
|
c1ccc2c(c1)nc(o2)C3=CNc4ccccc4N=C3
|
|
|
11
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
12
|
c1ccnc(c1)c2cn(cn2)c3cccc(c3)C#N
|
|
|
13
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
14
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
15
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
16
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
|
17
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
18
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
19
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
20
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
21
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
22
|
COc1ccc(cc1)C2=C(C(=O)N3CCC[C@@H]3C2)c4ccccn4
|
|
|
23
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
24
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
|
25
|
C1CCC2C(C1)N=C3CC4C(=NC5CCCCC5O4)CC3O2
|
|
|
26
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
27
|
Cc1nc(cs1)Cn2c(=O)oc(n2)c3ccc(cc3)F
|
|
|
28
|
Cc1cccc(n1)C#CCSc2ccccc2
|
|
|
29
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
30
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
31
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
32
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
33
|
Cc1c-2c(n(n1)c3ccccn3)CCc4c2onc4
|
|
|
34
|
c1ccc2c(c1)ccc(n2)n3c4ccc5c(c4nn3)sc(n5)C#N
|
|
|
35
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2ccccn2
|
|
|
36
|
COc1ccc(cc1)/C=C/c2nc3c(o2)C=CCC3
|
|
|
37
|
Cc1csc(n1)c2cc3ccccc3oc2=O
|
|
|
38
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
39
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
40
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
41
|
Cc1c(nc2n1-c3ccccc3C2)c4ccc(cc4)OC
|
|
|
42
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
43
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
44
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
45
|
|
|
|
46
|
CCOC(=O)CNC1=c2ccccc2=[S@@](=O)(N=N1)O
|
|
|
47
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
|
48
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
49
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
|
50
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
51
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
52
|
c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)Nc3nccs3
|
|
|
53
|
Cc1c(sc(n1)c2ccccc2)c3nnc(o3)C4CC4
|
|
|
54
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccccn3)O
|
|
|
55
|
[H]/N=c/n(cc(o1)c2ccc(cc2)CC)c3nc(cc(n3)C)C
|
|
|
56
|
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
|
|
|
57
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
58
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
59
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
60
|
c1ccc(cc1)C2=Nc3ccccc3N[C@H]2C(=O)[O-]
|
|
|
61
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
62
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
|
63
|
Cc1nnc(s1)c2cc3ccccc3n2C
|
|
|
64
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
65
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
66
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
67
|
c1ccnc(c1)c2ccc(s2)NC(=O)N3CCOCC3
|
|
|
68
|
|
|
|
69
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
|
70
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
71
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
72
|
Cc1nc(cs1)c2nc(no2)c3ccc(cc3)CO
|
|
|
73
|
COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
|
|
|
74
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
75
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
76
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
77
|
C1CCC(CC1)N2C(=O)N3N(C2=O)-C4CC5CCCCC5CC4C3
|
|
|
78
|
COc1cc(cc(c1OC)Cl)/C=C/[C@@H](c3ccccc3O2)O
|
|
|
79
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
80
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
81
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
82
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
83
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
84
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/n2cnc3c2cccc3)[O-]
|
|
|
85
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
|
86
|
c1ccc2c(c1)C=C[C@H]3N2C[C@@H]4[C@@H]3[C@H]5CO[C@@H](C4=O)O5
|
|
|
87
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
88
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
89
|
c1cc(ccc1c2c3c(c(ncn3)N4CCCC4)sn2)F
|
|
|
90
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
91
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
92
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
93
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
94
|
CC1(c2cc3ccccc3[o+]c2C=C4C1=Cc5ccccc5O4)C
|
|
|
95
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
|
96
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
97
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
98
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
99
|
CCOC(=O)N1CCN(CC1)C2NNC3NCCN3N2
|
|
|
100
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
101
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
102
|
c1ccc-2c(c1)Cc3c2ccc(c3)n4cccc4
|
|
|
103
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
104
|
|
|
|
105
|
CC(C)(C)c1cc(c(s1)C(=O)OC)CSc2ccccn2
|
|
|
106
|
CCOC(=O)c1c(c-2c(n3c(cc2[nH+]1)C(=C([C@@H]3C)C)C)C)C
|
|
|
107
|
CC1=C(Oc2ccccc2O1)c3ccccn3
|
|
|
108
|
c1ccc(cc1)c2cn-3c([nH+]2)CCc4c3c5c(cccn5)cc4
|
|
|
109
|
CC(=O)NC1=C(N=C2N=CC=CN2C1)c3ccccc3
|
|
|
110
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
111
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
112
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
113
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
114
|
Cc1cc(nc(n1)SC)C(=O)Nc2c(nsc2C)C
|
|
|
115
|
Cc1c(c(on1)N)c2nc(cs2)c3ccc(cc3)OC
|
|
|
116
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
|
117
|
Cc1nc(cs1)/C=C/c2cccnc2
|
|
|
118
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
119
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
120
|
c1ccc2c(c1)Nc3cc4=NS(=O)(=O)c5c4c(c3=[NH+]2)ccc5
|
|
|
121
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
|
122
|
Cn1cccc1c2csc(n2)c3ccco3
|
|
|
123
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
|
124
|
c1ccc(c(c1)C2=N/C(=C/c3ccco3)/C(=O)N2)Cl
|
|
|
125
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
126
|
CC1=C2C=CC=C[C@@H]2c3nc4ccc(cc4n3N1)Cl
|
|
|
127
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
128
|
Cc1c(nc2ccccc2n1)c3cscn3
|
|
|
129
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
|
130
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
131
|
Cc1c(c(c2n1Cc3ccccc3C2)C(=O)OC)C(=O)OC
|
|
|
132
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
|
133
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
134
|
c1cnn(c1)c2ccc(cc2)c3cnco3
|
|
|
135
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
|
136
|
C1CCC(CC1)C2NCC3N2NCN3C4CCCCC4
|
|
|
137
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
138
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
139
|
c1ccc2c(c1)ccc3c2c4c([nH]3)C5=C(COC=C5)OC4
|
|
|
140
|
|
|
|
141
|
COC1CC2C(CC1OC)[C@@H]3CNC(=O)[C@@H]3[C@@H](C2)C4CCCCC4
|
|
|
142
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
143
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
144
|
c1cc(ccc1C#N)C2=C[C@@H]3C=CSC3=N2
|
|
|
145
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
|
146
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
147
|
Cc1ccc2c(c1)c(=O)c(co2)c3nnc(s3)N
|
|
|
148
|
c1ccc2c(c1)nc3=c4ccc(cc4=c3n2)Cl
|
|
|
149
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
150
|
c1cc2c(cc1F)cc(c(=O)o2)c3csnn3
|
|
|
151
|
CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
|
|
|
152
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
153
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
154
|
Cc1ccc(cc1)N2Cc3cc(=O)n4c5ccccc5nc4c3=C2N
|
|
|
155
|
CCCCn1c(c(c2c1ncn(c2=[NH2+])c3nccs3)C)C
|
|
|
156
|
c1ccc(cc1)n2c3=CNc4ccccc4N=c3[nH]c2=O
|
|
|
157
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
158
|
CN(CCc1ccccn1)c2nc(=[N+](C)C)ss2
|
|
|
159
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
160
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
161
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
|
162
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
163
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
|
164
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
165
|
CC(=O)c1ccc2=c3cc(ccc3=c2c1)C(=O)C
|
|
|
166
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
167
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
168
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
169
|
Cc1c2c(cc(/c(=[NH+]/c3ccccc3)/o2)C(=O)N)c(cn1)CO
|
|
|
170
|
c1cc2c(cc1c3c4ccoc4ccn3)OCCO2
|
|
|
171
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
|
172
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
173
|
CCc1cc2c(cc1O)occ(c2=O)n3ccccc3=O
|
|
|
174
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
175
|
c1ccc(cc1)c2c3c(n[nH]2)CC[NH2+]C3
|
|
|
176
|
CSc1ccc(cc1)c2nc(on2)c3ccc[nH]c3=O
|
|
|
177
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
|
178
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
179
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
180
|
Cc1cc2n(c(=O)c1C#N)CC(=C2)c3ccccc3
|
|
|
181
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
182
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
183
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
184
|
c1ccc(cc1)COn2cc(cn2)I
|
|
|
185
|
Cc1cnc(o1)CN2CCc3c2cccc3
|
|
|
186
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
187
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
188
|
c1ccc-2c(c1)CCc3c2nnn3c4ccc(cc4)Br
|
|
|
189
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
190
|
Cc1c(c(on1)C)C(=O)n2cc3c(n2)-c4cc(ccc4SC3)F
|
|
|
191
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
192
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
193
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
194
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
195
|
CCCn1cnc(n1)NC(=O)c2cc(=O)n(c(n2)[O-])C
|
|
|
196
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
197
|
CCOC(=O)N1CCC(CC1)c2c(c(n[nH]2)O)C
|
|
|
198
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
199
|
CC1CC2N(N1)C(=O)C3CC4CCCCC4CC3O2
|
|
|
200
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
201
|
COC(=O)/C=c/1c(=O)n2c(=Nc3ccccc3CC2)s1
|
|
|
202
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
203
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
204
|
c1ccc2c(c1)nc3c(n2)Oc4ccccc4N3
|
|
|
205
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
206
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
|
207
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
208
|
COc1ccc2c(c1)occ(c2=O)c3ccon3
|
|
|
209
|
CC1(Cc2c(cc3c(n2)Nc4ccccc4N=C3O)CO1)C
|
|
|
210
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
211
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
212
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
213
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
214
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
215
|
Cc1ccc(cc1)N2C[C@@H]3Cc4ccccc4CN3C2
|
|
|
216
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
217
|
CCSc1ncc(n1C)c2cc(c3ccccc3n2)C(=O)[O-]
|
|
|
218
|
|
|
|
219
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
220
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
221
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
222
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
223
|
|
|
|
224
|
c1ccc2c(c1)C(=O)N3c4ccccc4S[C@@H]3N2
|
|
|
225
|
c1ccc(cc1)c2ccn3c(c2)ncc3c4cnsc4
|
|
|
226
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
|
227
|
Cc1c-2nc(c(=O)cc2n(n1C)c3ccccc3)c4ccccc4
|
|
|
228
|
Cc1c(sc(n1)c2c(cnc(n2)NCC=C)c3ccsc3)C
|
|
|
229
|
COc1cc(ccc1[C@@H]2N[C@@H]3C=CC=NC3=N2)[S@@](=O)C
|
|
|
230
|
Cc1c2c3c(cnc2sn1)c(n(n3)c4ccc(cc4)Cl)O
|
|
|
231
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
|
232
|
CCN(CC)c1ccc2cc3c([o+]c2c1)CCCCC3
|
|
|
233
|
c1c2c(n3c1c(=O)c4c(o3)c(c(c(c4F)F)F)F)CCCC2
|
|
|
234
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
235
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
236
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
237
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
|
238
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
239
|
Cc1nc(cs1)[C@@H]2COc3ccccc3O2
|
|
|
240
|
c1ccc(cc1)/C=C/c2ccncn2
|
|
|
241
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
242
|
C/C=C/C=C/1C=Cc2c1c(=O)occ2C(=O)OC
|
|
|
243
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
244
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
245
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
246
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
247
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
248
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
249
|
c1ccc2c(c1)NCCC(=N2)c3ccco3
|
|
|
250
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
|
251
|
CC1=Nc2c(c(n(n2)c3ccccc3)O)C(=O)CC1
|
|
|
252
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
253
|
CC1C(SC(N1)C[C@@H](C)N2CC(CN2)CL)C(=O)C
|
|
|
254
|
c1ccc2c(c1)c(c-3c(n2)CSc4c3cc(cc4)Cl)C(=O)[O-]
|
|
|
255
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
256
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
257
|
c1ccnc(c1)SCCn2cccn2
|
|
|
258
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
259
|
c1ccc2c(c1)c(=O)cc(o2)c3cc(cc4c3OCOC4)Cl
|
|
|
260
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
261
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
|
262
|
CC1=[O+]C(=C[C@@H]2[C@@H]1C=C(C(=C2)OC)OC)N3CCOCC3
|
|
|
263
|
c1ccc2cc3c(cc2c1)NC=C4C(=NC(=O)S4)[N-]3
|
|
|
264
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
265
|
Cc1nc(cs1)C#Cc2ccccn2
|
|
|
266
|
Cc1nc(cs1)c2ccc3c(c2)CCN3
|
|
|
267
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
268
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
269
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
270
|
Cn1cc(nc1)S(=O)(=O)Oc2ccsc2C(=O)OC
|
|
|
271
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
272
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
273
|
c1ccc(cc1)c2cn3c(=O)c4ccccc4sc3c2C#N
|
|
|
274
|
C1CC(CC(C1)BR)C2CN3CNSC3N2
|
|
|
275
|
Cc1c(c2nnnn2c(n1)c3ccccn3)Cl
|
|
|
276
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
|
277
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
278
|
Cc1cc(no1)CSc2nc(c(o2)C)C
|
|
|
279
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
|
280
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
281
|
c1ccc(cc1)n2c(c-3sc4ccccc4nc3c2=O)[O-]
|
|
|
282
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
283
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
284
|
CCOC(=O)C1=CNc2ccccc2N=C1N
|
|
|
285
|
CN1CC2CCCCC2C1C3NC(NC(N3)F)N
|
|
|
286
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
|
287
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
288
|
c1ccc(cc1)C2=CC(=NC(=O)[C@@H]2C#N)c3ccccc3O
|
|
|
289
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
290
|
Cc1nc(cn1C)S(=O)(=O)Oc2ccccc2F
|
|
|
291
|
c1ccc(cc1)c2c3c([nH]n2)CCC3
|
|
|
292
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
293
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
|
294
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
295
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
296
|
CN1C2CCCCC2S(=O)(=O)N3C1NNC3CC4CCCCC4
|
|
|
297
|
CC(=O)N1CC2CC3C(C4C2C1CCC4)C[C@@H](CN3C)OC(=O)C
|
|
|
298
|
C[C@@]12CCC3=C([C@@H]1CC[C@@H]2O)CC4CNN(C4C3)C5CCCCC5
|
|
|
299
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
300
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
301
|
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
|
|
|
302
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
303
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
304
|
c1ccc2c(c1)nnn2Cc3nc4ccccc4s3
|
|
|
305
|
Cc1cc-2nc3ccc(cc3oc2cc1=[N+](C)C)N
|
|
|
306
|
COC1C2C(CC(OC2=O)C3CCCCC3)NC(N1)OC
|
|
|
307
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
|
308
|
Cc1c2c(con2)c(nn1)c3ccccn3
|
|
|
309
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
310
|
CC=C(C(=O)N/C1=C/c2ccccn2)C
|
|
|
311
|
c1cc(oc1)c2ccc(nc2)C#N
|
|
|
312
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
313
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
314
|
CC(C)(C)c1cc(c2c([o+]1)-c3ccccc3OC2)c4ccccc4
|
|
|
315
|
Cc1c(sc(n1)c2c(n(nn2)c3ccccc3)C)C(=O)[O-]
|
|
|
316
|
CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
|
|
|
317
|
|
|
|
318
|
c1ccc(cc1)C2=N/C(=C/Nc4ccccc4S3)/C(=O)N2
|
|
|
319
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
320
|
c1ccc(cc1)c2nn3c(=O)c4ccccc4nc3o2
|
|
|
321
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
322
|
|
|
|
323
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
324
|
c1ccc(cc1)c2cnc3n2nccc3
|
|
|
325
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
326
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
|
327
|
c1ccc2c(c1)nnn2Cc3nc4ccccc4o3
|
|
|
328
|
CC1NC(CC(=O)O1)C2CCCCC2
|
|
|
329
|
Cn1cnn2c1nc(c2)c3ccccc3
|
|
|
330
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
331
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
332
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
333
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
|
334
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
335
|
Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O
|
|
|
336
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
337
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
338
|
COc1cc(c(s1)C(=O)OC)OC(=O)c2ccco2
|
|
|
339
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
340
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
|
341
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
342
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
343
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
344
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
345
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
|
346
|
COC(=O)c1cc2c(s1)CN(C2)c3ccccc3Cl
|
|
|
347
|
CN1CCC2C1CCC3C2OS(=O)(=O)C=C3N4CCOCC4
|
|
|
348
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
|
349
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
|
350
|
CCOC(=O)[C@@H]1C=N[C@@H]2C=C3C(=CN2C1=O)CCCCN3C
|
|
|
351
|
c1cn2c(cn1)c(nc2c3cnc(nc3)N4CCCC4)[O-]
|
|
|
352
|
Cn1c(cc(=O)n(c1=O)C)Cn2nc(nn2)c3ccccc3
|
|
|
353
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
354
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
355
|
Cc1c2c(nc(n1)C)Oc3ccc4ccccc4c3C2
|
|
|
356
|
c1ccc2c(c1)cc(c(=O)o2)C3=Nc4ccccc4S(=O)(=O)N3
|
|
|
357
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
358
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
359
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
|
360
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
361
|
c1cc(cnc1)C2=C(N3[C@@H](C2)CC3=O)C(=O)[O-]
|
|
|
362
|
c1ccc(cc1)c2nc(sn2)c3ccc(nn3)Cl
|
|
|
363
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
364
|
c1ccn(c1)c2ccc(cc2)SCC(=O)[O-]
|
|
|
365
|
CC1(Cc2c(n3c(c2C#N)nc(cn3)c4ccccc4)CO1)C
|
|
|
366
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
|
367
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
368
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
369
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
|
370
|
c1ccc2c(c1)c3c([nH]2)-c4ccccc4OCC3
|
|
|
371
|
Cc1ccc2c(c1)C[C@@H]3[C@@H](N2)C(=CN(C3=O)C)CO
|
|
|
372
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(=O)[nH]n2
|
|
|
373
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
374
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
375
|
CCOc1ccc2c(c1)cc(c3n2c(=O)n(n3)C)C4OCCO4
|
|
|
376
|
c1ccc(cc1)C(=O)NC2=NC(=O)[C@@H]3C(=N2)[N-]C=N3
|
|
|
377
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
378
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
379
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
|
380
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
381
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
|
382
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
|
383
|
CC(=C/C=C/c1c(c2ccccc2s1)OC(=O)N(C)C)C
|
|
|
384
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
385
|
C1CCC2C(C1)CC3C(N2)-C4C(C5COCC5C(=O)N4C3)O
|
|
|
386
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
|
|
387
|
CC=NC2CCCCC2/C1=C/3C4CCCCC4C(=O)NN3
|
|
|
388
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
389
|
CC(C)(C)c1ncc(s1)c2nc3c(cccn3)c(n2)[O-]
|
|
|
390
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
391
|
CCOC(=O)C1=C2C(=C(C(=N2)O)C(=O)OCC)N=C1O
|
|
|
392
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
393
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
394
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
395
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
396
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
|
397
|
c1ccc2c(c1)-c3nc4ccccc4n3CC(=O)N2
|
|
|
398
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
399
|
Cc1coc2n1cc(n2)c3ccc(cc3)Cl
|
|
|
400
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
401
|
c1ccc(cc1)C2=Nc3ccccc3NC=C2
|
|
|
402
|
Cc1cc(nc(n1)[N-]C2=NC(=O)C[C@@H]3N2CCNC3=O)C
|
|
|
403
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
404
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
405
|
C1CCC2C(C1)C[C@@H]3[C@@H]2C4CCCCC4N3
|
|
|
406
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
407
|
CCc1nc(cs1)CSc2nccn2C
|
|
|
408
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
409
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
410
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
411
|
CNc2cc[nH+]cc2N/C1=C/3C=Nc4c3cccc4
|
|
|
412
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
413
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
414
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
|
415
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
416
|
|
|
|
417
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
418
|
c1ccc(cc1)CCc2cnccn2
|
|
|
419
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
|
420
|
c1ccc2c(c1)/C(=N/c3ccccn3)/C(=O)N2
|
|
|
421
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
422
|
|
|
|
423
|
COC(=O)c1c2cccc3c2c(o1)-c4ccccc4C3=O
|
|
|
424
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
425
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
426
|
c1cc(c(cc1Cl)c2cc([nH]n2)C(F)(F)F)O
|
|
|
427
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
428
|
Cn1cc(nn1)NC(=O)c2ccc(cc2)Cn3cccc3
|
|
|
429
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
|
430
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
431
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
432
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
433
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
|
434
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
|
435
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
|
436
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
|
437
|
CCN1CCN=C2C3CC(CCC3N4CNC5C4C2C1CC5)OC
|
|
|
438
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
439
|
c1ccc(cc1)c2nc(on2)c3csnn3
|
|
|
440
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
441
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
442
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
|
443
|
Cc1c(ccc2c1oc(=O)c3c2oc(n3)C)OC(=O)C
|
|
|
444
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
445
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
|
446
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
447
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
448
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
|
449
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
450
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
451
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
|
452
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
453
|
c1ccc(cc1)N2CC(=O)Nc3ccccc3S2(=O)=O
|
|
|
454
|
Cc1cc(nc(n1)SNc2ccccc2OC)C
|
|
|
455
|
c1ccc(cc1)c2c(oc3n2c(=O)ccc(=O)n3)c4ccccc4
|
|
|
456
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
457
|
CC(=O)OC[C@@H]1[C@H](C=C[C@@H](O1)SC2CCCCN2)OC(=O)C
|
|
|
458
|
CC(=O)Nc1nc2ccc(cc2s1)c3nc4ccccc4o3
|
|
|
459
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
460
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
|
461
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
|
462
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
463
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
|
464
|
Cc1c(sc2n1ncn2)c3csc(n3)C
|
|
|
465
|
CC1=C(C[S@@](=O)N(C1)c2nc(sn2)SC)C
|
|
|
466
|
c1cc(oc1)C(=O)Nc2nc(co2)C(=O)[O-]
|
|
|
467
|
CCOC(=O)Nc1cc2c(c(n1)N)N=C(CO2)c3ccccc3
|
|
|
468
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
469
|
CCOC(=O)C1=C(Sc2ccccc2C1)NC(=O)C
|
|
|
470
|
C[C@@H]1C(=C/C(=C/n2c3ccccc3nn2)/O1)c4ccccc4
|
|
|
471
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
472
|
Cc1c(c2c(=O)[nH]cnc2s1)S(=O)(=O)N3CCCCC3
|
|
|
473
|
C1CCC2C(C1)[C@@H](N3C4CCCCC4C(=O)C3=N2)O
|
|
|
474
|
CCOC(=O)/C=C/1[C@@](C2CCCCC2O1)(C)O
|
|
|
475
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
476
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
|
477
|
Cc1ccc2c(c1)SC=C(O2)c3ccccc3
|
|
|
478
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
479
|
c1ccc(cc1)C2=N[C@@H]3N(C2)c4ccc(cc4S3)C(=O)[O-]
|
|
|
480
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
|
481
|
Cc1cc(=O)n([nH]1)c2cc(nc(n2)c3ccccc3O)C
|
|
|
482
|
c1ccc(cc1)S(=O)(=O)C[C@@H]2CSc3n2ncn3
|
|
|
483
|
c1ccc2c(c1)cc3c(n2)OC(=O)N(C3)C4CC4
|
|
|
484
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
485
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
486
|
c1ccc2c(c1)nc3n2CN=C4N3CN(CN4)CCO
|
|
|
487
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
488
|
Cc1nc2ccccc2c(=O)n1c3nc[nH]n3
|
|
|
489
|
Cc1c(cc2c(c(sc2n1)c3nnc(o3)C)N)C(=O)C
|
|
|
490
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
491
|
c1cnn(c1)c2cncc(n2)Cl
|
|
|
492
|
COC(=O)Oc1c(c2c(s1)nc3ccccc3n2)N
|
|
|
493
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
|
494
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
|
495
|
C1COCCN1C2=NN3C(=CC(=C4C=CC(=O)C=C4)N3)S2
|
|
|
496
|
c1cc(oc1)c2cn3c4ccc(c(c4n5c3c2CCCC5)F)F
|
|
|
497
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
498
|
COC1CCC(CC1)C2NNC3N2SC4C3CCCC4
|
|
|
499
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
500
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
501
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
502
|
c1ccc(cc1)c2ccccn2
|
|
|
503
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
504
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
505
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
506
|
|
|
|
507
|
COc1ccc2c(cc(=O)oc2c1)c3c(c4ccccc4s3)O
|
|
|
508
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
509
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
|
510
|
Cc1ccc2c3c1noc3-c4ccccc4C2=O
|
|
|
511
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
512
|
Cn1c2cccc3c2c(n1)-c4ccccc4C3=O
|
|
|
513
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
514
|
|
|
|
515
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
|
516
|
|
|
|
517
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC=C)CCn2cccn2
|
|
|
518
|
c1ccc-2c(c1)CC(=O)n3c2nc4c3cccc4
|
|
|
519
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
520
|
c1cc(ccc1c2c(c3cc(c(nc3o2)Cl)C#N)N)F
|
|
|
521
|
c1ccc(cc1)c2c3c(c(nn2)c4ccccc4)non3
|
|
|
522
|
c1ccc2c(c1)c3cc(c(cc3o2)n4cccc4)N
|
|
|
523
|
C1CCC(CC1)C2C3C4C(CCCN4C(=O)N2)CCC3
|
|
|
524
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
525
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
526
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
|
527
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
528
|
c1ccc(cc1)c2cc3c(nccn3n2)Cl
|
|
|
529
|
COc1ccc(cc1)n2cc3ccsc3c2
|
|
|
530
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
|
531
|
c1cc(ccc1[C@@H]2CN=CC=N2)[C@@H]3CN=CC=N3
|
|
|
532
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
533
|
CC1=CC(=Nc2ccccc2N1)c3c(=O)c4ccccc4n(c3[O-])C
|
|
|
534
|
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
|
|
|
535
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
536
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
537
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
538
|
c1cc2nnc(n2cc1C(F)(F)F)c3nccs3
|
|
|
539
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
540
|
Cc1ccc(cc1)n2c(c(nn2)C(=O)n3c(cc(n3)C)C)C
|
|
|
541
|
c1ccc(cc1)c2nc(on2)c3c(c4ccccc4s3)O
|
|
|
542
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
543
|
Cc1[nH]c(=O)c2c(n1)N=C(C[C@@H]2c3ccccc3)O
|
|
|
544
|
c1c(c(c(=O)n(n1)Cc2c(snn2)Cl)Cl)Cl
|
|
|
545
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
546
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
547
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
548
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
549
|
c1cnc(nc1C2=C3C(=NC2)CCNC3=O)N
|
|
|
550
|
CC(C)(C)OC(=O)N1CCc2c(ncnc2Cl)CC1
|
|
|
551
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
552
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
|
553
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
554
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
|
555
|
CC1(OC(=CC(=O)O1)CC(=O)c2ccco2)C
|
|
|
556
|
CC(C)(C)C(=O)CC1=NC(=O)/C(=Cc2csnn2)/S1
|
|
|
557
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
558
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
559
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
560
|
|
|
|
561
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
562
|
Cc1nc(no1)CSc2ccccc2
|
|
|
563
|
c1ccc2c(c1)Cc3c(c(c(nc3S2)N)C#N)N
|
|
|
564
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
565
|
c1ccc(cc1)/C=c/2c3cccc4c3c(o2)ccc4
|
|
|
566
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
567
|
|
|
|
568
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
569
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
570
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|