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Virtual screening for IDP 4DFU - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
2
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
3
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
4
|
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCNc2ccccn2
|
|
|
5
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
6
|
Cc1cc(nc2c1c(n[nH]2)S(=O)(=O)N3CCC(CC3)C)C
|
|
|
7
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
8
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
9
|
c1ccn(c1)c2ccnc(n2)c3cccnc3
|
|
|
10
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
11
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
12
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
13
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
14
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
15
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
|
16
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
17
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
18
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
19
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
20
|
c1ccc(cc1)n2c3=CNc4ccccc4N=c3[nH]c2=O
|
|
|
21
|
C1CNCC2C1NC(C(C2)C3=CCCCC3)N
|
|
|
22
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
23
|
Cc1ccc(cc1C)c2c(cccn2)OC3(CCCC3)C(=O)[O-]
|
|
|
24
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
25
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
26
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
27
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
|
28
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
29
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
30
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
31
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
32
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
33
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
34
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
35
|
Cc1c(nnc(c1c2c(cc(cn2)C(F)(F)F)Cl)O)C
|
|
|
36
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
37
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
38
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
39
|
C[C@]12CN(C[C@H]1NC(=O)c3ccccc3C2=O)C(=O)C4CC4
|
|
|
40
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
41
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
42
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
|
43
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
44
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
45
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
46
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
47
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
48
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
49
|
C1CCC2C(C1)[C@H](CO2)NC3NCCCN3
|
|
|
50
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
51
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
52
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
|
53
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
54
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
55
|
Cn1c2c(cnc(n2)c3cccnc3)c(=O)nc1[O-]
|
|
|
56
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
|
57
|
|
|
|
58
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
59
|
COC1=CC=C2[C@@H](N1)Sc3c(=O)[nH]c(nc3N2)N
|
|
|
60
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
61
|
|
|
|
62
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
63
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
64
|
c1ccc2c(c1)C(=O)NS(=O)(=O)c3ccccc3S2
|
|
|
65
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
66
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
67
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
|
68
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
69
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
70
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
71
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
72
|
|
|
|
73
|
c1c2c(n[nH]1)[C@H]3[C@@H]([C@@H](C2=O)CC3=O)NCCC#N
|
|
|
74
|
c1ccc-2c(c1)CCc3n2c(nn3)c4cccnc4
|
|
|
75
|
CCOC(=O)[C@@H]1C=N[C@@H]2C=C3C(=CN2C1=O)CCCCN3C
|
|
|
76
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
77
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
78
|
C[C@@H]1N([C@@H]2c3cccc4c3c(ccc4)[C@@H]2O1)c5ccccc5
|
|
|
79
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
80
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
81
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
82
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
83
|
CN1C(=NC(=O)C12COC(OC2)c3cccnc3)N
|
|
|
84
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
|
85
|
[H]/N=C/[C@@H](c2c(nc3ccccc3n2)Sc4ccccc4N1)C#N
|
|
|
86
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
87
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
88
|
Cc1ccc2c(c1)[nH]/c(=Nc3nc(cc(n3)O)C)/o2
|
|
|
89
|
c1cc(ccc1c2c(c[nH]n2)N3C=CCCC3=O)Cl
|
|
|
90
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
91
|
C=CCNc1nc(nc(n1)n2ccnc2)c3ccccc3
|
|
|
92
|
c1ccc(cc1)c2nc(c3n2[nH]c(=O)c4c3cccc4)[O-]
|
|
|
93
|
CCOC(=O)C1=C(NC(=O)c2c(ccc(c2OC)OC)[C@@H]1O)C
|
|
|
94
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
95
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
96
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
|
97
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
98
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
99
|
C1CCC2CC3C(CC2C1)[C@@]4(C5CCCCC5C(=O)[C@@]4(O3)O)O
|
|
|
100
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
|
101
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
102
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
103
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
104
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
105
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
106
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
107
|
c1coc(n1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
|
108
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
|
109
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
110
|
c1ccnc(c1)[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2
|
|
|
111
|
c1cc2c(nc1)Nc3c(cccn3)O2
|
|
|
112
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
113
|
c1cc(sc1)CCNc2ncccn2
|
|
|
114
|
Cc1cc(nc2c1c(nc(n2)C)C)c3c(nc(nc3N)C)C
|
|
|
115
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
116
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
117
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
|
118
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
119
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
120
|
Cn1c(cnc1Cn2c3ccccc3ncc2=O)Cl
|
|
|
121
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
122
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
123
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
124
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
125
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
126
|
Cc1cc(c(c(c1)O)c2c(c[nH]n2)c3nc(cs3)C)O
|
|
|
127
|
CCn1cc(cn1)c2cncn2CCCC(C)(C)CO
|
|
|
128
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
129
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
|
130
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
131
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
132
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
133
|
|
|
|
134
|
CCCCC1=N[C@@H]2[C@@H](c3c(c(ncn3)OC)S2)C4=C1CCC4
|
|
|
135
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
136
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
|
137
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
|
138
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
|
139
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
|
140
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
141
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
142
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
|
143
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
144
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
145
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
146
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
147
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
|
148
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
149
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)[nH]n2
|
|
|
150
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
151
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
152
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
153
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
154
|
CC(=O)c1c-2n(n(c1=O)c3ccccc3)C(=O)c4c2nccn4
|
|
|
155
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
156
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
157
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
158
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
159
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
160
|
c1cc2c(cc1S(=O)(=O)N3CCCCC3)N=C(CS2)O
|
|
|
161
|
C/C(=C/C=CC=CCc1cnco1)/[C@H](C(C)(C)C(=O)N)O
|
|
|
162
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
163
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
164
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
165
|
COC(=O)[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)N
|
|
|
166
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
167
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
168
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
169
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
|
170
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
171
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
172
|
c1c[nH]nc1Nc2c(nc(c(n2)Cl)Cl)Cl
|
|
|
173
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
174
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
175
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
176
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
177
|
CC1(CC(=O)[C@@H]2[C@H](NC3CCCCC3CC2=N1)C4CCCNC4)C
|
|
|
178
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
179
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
180
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
|
181
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
182
|
[H]/N=c/n2c3ccccc3[nH]c(=O)c2c(s1)c4ccccc4
|
|
|
183
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
184
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
185
|
Cn1c2c(cn1)[C@@H](CC(=N2)O)C3=Cc4ccccc4OC3
|
|
|
186
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
187
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
188
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
189
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
190
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
191
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
192
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
193
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
194
|
Cc1cc(nc(n1)Nc2cc(on2)C)C#N
|
|
|
195
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
196
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
197
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
198
|
C1CC2C3=C4[C@@H](C=C3C1)NC(=O)[C@]45CCCC[C@@H]5C2
|
|
|
199
|
CCOc1ccc2c(c1)cc(c3n2c(=O)n(n3)C)C4OCCO4
|
|
|
200
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
|
201
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
|
202
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
|
203
|
Cc1c(c2c(o1)[C@@H]3CCCC[C@@H]3OC2=O)c4ccccc4
|
|
|
204
|
c1ccc2c(c1)cc(c(=O)o2)/C(=N/c3n[nH]nn3)/[O-]
|
|
|
205
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
|
206
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
207
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
208
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
209
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
210
|
Cc1ccc(c(c1)n2c3c(nn2)[C@@](CS3)(c4ccccc4)O)C
|
|
|
211
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
212
|
c1cc(cc(c1)N)c2c3c(c4n2CCC4)c(=O)[nH]nc3[O-]
|
|
|
213
|
|
|
|
214
|
c1ccc(c(c1)C2=Nc3cncnc3NC2)N
|
|
|
215
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
216
|
c1ccc(cc1)c2c3c(n[nH]c3nnc2c4ccccc4)N
|
|
|
217
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
218
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
219
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
220
|
c1ccc2c(c1)OC[C@@H](O2)c3csc4c3c(=O)[nH]cn4
|
|
|
221
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
222
|
C/C(=N/Cc1ccc(cc1)F)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
223
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
224
|
c1ccc2c(c1)nnn2[C@H]3CCC[C@@H]4N3CCn5c4ccc5
|
|
|
225
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
226
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
227
|
Cc1c2c(c(oc2ncn1)c3ccco3)c4ccco4
|
|
|
228
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
229
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
230
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
|
231
|
Cc1cc(=O)sc2c1c(nn2c3ccccc3)C
|
|
|
232
|
C/C=C/1C(=O)[NH]/C(=C/C2CCCCC2)/C(=O)[NH]1
|
|
|
233
|
c1ccc2c(c1)/C(=Cc3c(n4c(nc3=O)scn4)N)/C=N2
|
|
|
234
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
235
|
Cc1cc(ncn1)Nc2ccccc2
|
|
|
236
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
237
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
238
|
c1ccc2c(c1)Nc3c(cccn3)S2
|
|
|
239
|
c1ccc-2c(c1)CNC(=O)c3c2cccc3
|
|
|
240
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
241
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
242
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
243
|
C1CCC2(CC1)N3C(=NC(=O)O2)OC4(CCCCC4)OC3=O
|
|
|
244
|
Cc1c(c2c(n1c3ccccc3)c(ncn2)N)C#N
|
|
|
245
|
c1ccc(c(c1)C(=O)[O-])S[C@@H]2CCC(=O)N2
|
|
|
246
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
|
247
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
248
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
249
|
c1ccc2c(c1)[nH]c(n2)[C@H](C#N)c3c(nc(c(n3)C#N)C#N)Cl
|
|
|
250
|
c1cc(cnc1)C#Cc2c3c(nccn3c(n2)C4CCC4)N
|
|
|
251
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
252
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
|
253
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
|
254
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
|
255
|
c1ccc(cc1)c2c3n(cn2)CCCCC3
|
|
|
256
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
257
|
c1cc(nc2c1Nc3c(c(ncn3)N)S2)Cl
|
|
|
258
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
259
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
260
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
261
|
c1cc2c(nc1)NC3(N2)CCCCC3
|
|
|
262
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
263
|
c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
|
|
|
264
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3c(=O)ccc(n3)c4ccco4
|
|
|
265
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
|
266
|
c1cc2c(nc1)S[C@@H](NC2=O)c3ccco3
|
|
|
267
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
|
268
|
|
|
|
269
|
|
|
|
270
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
271
|
c1cc2c(cc1Cl)ncn3c2nn(c3=O)CC(=O)N
|
|
|
272
|
c1ccc2c(c1)c3ccc(nc3[nH]2)N
|
|
|
273
|
Cc1csc(n1)Cc2nc3ccccc3n2C
|
|
|
274
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
275
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
|
276
|
c1ccc(cc1)n2c(c-3sc4ccccc4nc3c2=O)[O-]
|
|
|
277
|
|
|
|
278
|
c1ccc2c(c1)nc(c3n2cnn3)Nc4cc(ccc4O)Cl
|
|
|
279
|
COC1CCC(CC1)C2NNC3N2SC4C3CCCC4
|
|
|
280
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
281
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
282
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
|
283
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
284
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
285
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
286
|
CC(=O)N1C[C@@H]2CC[C@@]([C@@H]2C1)(c3cccc(c3)OC)O
|
|
|
287
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
288
|
Cc1c(nn(c(=O)c1C#N)Cc2nc3ccccc3o2)C
|
|
|
289
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
290
|
c1ccc(cc1)[C@@H]2c3c4ccccc4c(=O)[nH]c3N=C5N2C=CC=C5
|
|
|
291
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
292
|
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
|
|
|
293
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
294
|
|
|
|
295
|
CC1(C(=NC(=N)N=C1C(=O)OC)C(=O)OC)C(=O)c2ccccc2
|
|
|
296
|
c1ccc2c(c1)-c3cccn3[C@@H](N2)c4ccc5c(c4)CCO5
|
|
|
297
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
298
|
CCc1nnc(c2n1ccc2)N3CCC(CC3)C(=O)[O-]
|
|
|
299
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
300
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
301
|
|
|
|
302
|
c1cc2c(nc1)Nc3c(c(=O)nc([nH]3)N)S2
|
|
|
303
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
|
304
|
Cc1c2c(oc(c2c(=O)[nH]n1)NC(=O)Cn3ccnc3)C
|
|
|
305
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
306
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
307
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
308
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
309
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
310
|
Cc1c(nccn1)c2ccnn2S(=O)(=O)c3ccccc3
|
|
|
311
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
312
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
313
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
|
314
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
|
315
|
c1ccc(cc1)C(=O)c2c3n(nn2)CC(=O)OC34CCCCC4
|
|
|
316
|
CC1(c2ccccc2N([C@@]13C=Nc4c5cccnc5ccc4O3)C)C
|
|
|
317
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
318
|
|
|
|
319
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
320
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
321
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
322
|
|
|
|
323
|
CC(C)(C)Nc1c(n(c(=O)[nH]1)C(C)(C)C)NC(C)(C)C
|
|
|
324
|
c1ccnc(c1)c2c[nH]nc2N3CCOCC3
|
|
|
325
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
326
|
Cn1c(c(c(=O)[nH]c1=O)Oc2ccc(cc2Cl)F)N
|
|
|
327
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
328
|
Cn1c(nnc1SC)Cn2c3ccccc3sc2=O
|
|
|
329
|
Cc1nccn1c2c(cnc(n2)N3CCOCC3)F
|
|
|
330
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
331
|
CC(C)CC(=O)N1CCN(CC1)C[C@@H]2C=N[C@@H]3[C@@H]2C=CC=C3
|
|
|
332
|
c1ccc2c(c1)C(=O)O[C@@]23Oc4cccnc4S3
|
|
|
333
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
334
|
Cc1ccc(cc1)n2c(nnn2)c3nc4ccccc4s3
|
|
|
335
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
336
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
337
|
Cc1nc(on1)Cn2c(=O)n(c(=O)n(c2=O)CC=C)CC=C
|
|
|
338
|
C1C2CC3CC1CC(C2)C34C=C(N=C(N4)N)C(F)(F)F
|
|
|
339
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
|
340
|
c1ccc(cc1)/C=C/2CCCC3=C2NC(=O)N[C@@H]3c4ccccc4
|
|
|
341
|
c1ccc2c(c1)[C@@H]3[C@@H](S2(=O)=O)n4cnc5c4c(ncn5)S3
|
|
|
342
|
c1ncn(n1)C[C@@H]2COC3(O2)CCCCC3
|
|
|
343
|
c1ccc(cc1)c2c3c([nH]n2)OC(=O)C[C@@H]3c4ccccc4
|
|
|
344
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
345
|
c1ccc(cc1)c2cn3c(=O)c4ccccc4sc3c2C#N
|
|
|
346
|
C[C@@]12C([C@@](C(=O)N1)(C([C@@H](O2)c3ccccc3)(C#N)C#N)C#N)(C)C
|
|
|
347
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
348
|
Cc1c(n(c(=O)n1c2ccccc2)C)NC(=O)NC3CCCC3
|
|
|
349
|
c1ccc(c(c1)n2c3c(cn2)C4=NCCCN4C(=O)N3)Cl
|
|
|
350
|
CC1=CC(=C(O[C@@H]1c2cccnc2)C)C(=O)OC
|
|
|
351
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
352
|
Cc1c2c(n(n1)c3ccccc3)S[C@@H]2c4ccco4
|
|
|
353
|
CC(C)(C)OC(=O)N1CCc2c(ncnc2Cl)CC1
|
|
|
354
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
|
355
|
Cn1c(=O)c(c(cn1)SCc2ccco2)Cl
|
|
|
356
|
CCc1nnc(o1)CN(C(C)C)C(=O)c2c(ocn2)C3CC3
|
|
|
357
|
CCOC(=O)C1=C(C[C@@H](N[C@@H]1c2ccccc2)c3ccccc3)N
|
|
|
358
|
CCOC(=O)c1c2n(c3c1ncnc3SC)CCC2
|
|
|
359
|
CC1(C(=O)CCC1=O)C/C=C/2CCC3C2CCC(C3)OC
|
|
|
360
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
361
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
362
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
363
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
364
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
365
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
366
|
CCc1n[n-]/c(=N/C(=O)c2c(c(c(c(c2F)F)F)F)F)/s1
|
|
|
367
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
368
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
369
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
370
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
371
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
372
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
373
|
Cc1ccc2c(c1)n3c([nH+]2)NCCC3
|
|
|
374
|
CC(=O)N1C=Cc2ccccc2[C@@H]1c3c[nH]c4c3cccc4
|
|
|
375
|
CC1CC(N2C1[C@@H](CC2)O)C3(C(=O)C4CCCCC4C3=O)O
|
|
|
376
|
C1CCC2C(C1)[C@@H](CCS2)NC3CNCC(N3)CL
|
|
|
377
|
COC(=O)c1cc-2c(s1)C(=O)c3c2cccc3
|
|
|
378
|
c1cc(ccc1c2c3c(c(ncn3)N4CCCC4)sn2)F
|
|
|
379
|
c1ccc2c(c1)C(=O)O[C@@]3(N2C(=O)[C@@H]4[C@@H]3[C@H]5C[C@@H]4C=C5)O
|
|
|
380
|
c1ccc2c(c1)nnn2n3c4ccccc4nn3
|
|
|
381
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
|
382
|
C[C@@]12CCC(=O)[C@@](C1=CCC3C2CC(CC3)OC)(C)CC(=O)OC
|
|
|
383
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
|
384
|
CCOC(=O)N1CCC(CC1)c2c(c(n[nH]2)O)C
|
|
|
385
|
c1ccc(cc1)CC2=C(C=NC(=O)C2)C(=O)N
|
|
|
386
|
c1cn2c(cn1)c(nc2c3cnc(nc3)N4CCCC4)[O-]
|
|
|
387
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
388
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
389
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
390
|
COC1CCC2C(C1)O[C@@]3(C4CC5C(CC4O[C@@H]3C2)OCO5)O
|
|
|
391
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
392
|
CCCSc1[n-]s/c(=N/C(=O)CN2CCCC2)/n1
|
|
|
393
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
|
394
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
395
|
|
|
|
396
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
397
|
|
|
|
398
|
C[C@@]1(CC[C@@](C(=C)n2c3c1cccc3nn2)(C)O)O
|
|
|
399
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
400
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
401
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
402
|
CCc1c([nH]c(=O)c(c1Cc2cc(cc(c2)C)C)n3cccc3)C
|
|
|
403
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
404
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
|
405
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
406
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
|
407
|
c1ccc2c(c1)ncn2c3c(snn3)C(=O)N
|
|
|
408
|
Cc1ccc(c(c1)C)c2cc3n(c2)nc(n3N)C
|
|
|
409
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
410
|
c1ccc2c(c1)[nH]c(n2)/C=C/CCC=C3N4CCOCC4
|
|
|
411
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
412
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
413
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
414
|
Cn1c2c(cn1)c(ncn2)n3cnc4c3cccc4
|
|
|
415
|
Cc1cc(n(n1)c2c3c(c(n(c3ncn2)CC(C)C)C)C)C
|
|
|
416
|
c1ccc(c(c1)C(F)(F)F)N2Cc3cnc4ncnn4c3C=C2
|
|
|
417
|
c1ccc(cc1)c2cc(nc3c2c4c(o3)oc(n4)N)c5ccccc5
|
|
|
418
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
419
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
420
|
CCOC(=O)CNC1=c2ccccc2=[S@@](=O)(N=N1)O
|
|
|
421
|
CC(=O)O[C@@H](c1ccccc1)C(=O)Nn2c(nnn2)N
|
|
|
422
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
423
|
Cc1cs/c(=N/c2c(nc[nH]2)C(=O)N)/n1c3ccccc3
|
|
|
424
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(=O)[nH]n2
|
|
|
425
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
426
|
|
|
|
427
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/n2cnc3c2cccc3)[O-]
|
|
|
428
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
429
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
430
|
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
|
|
|
431
|
CC(C)(C)Cn1c(cc2c1nc(nc2)C#N)COc3ccncc3
|
|
|
432
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
433
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
434
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
435
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
436
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
437
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
|
438
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
|
439
|
Cn1c2c(cn1)[C@@H](CCC2)Nc3c(cccn3)C#N
|
|
|
440
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
441
|
|
|
|
442
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
443
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
444
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
|
445
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
446
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
|
447
|
C1CCC2C(C1)C(=O)C3C(O2)CC4(CCCCC4)OC3=O
|
|
|
448
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
449
|
c1ccc2c(c1)CCN(C2)c3c(non3)[O-]
|
|
|
450
|
CC1(Cc2ccccc2C(=[NH+]1)c3cc4ccccc4oc3=O)C
|
|
|
451
|
Cc1nnc(o1)C(=O)c2c(c3ccccc3n(c2=O)C)OC(=O)C
|
|
|
452
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
453
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
454
|
c1cc(cnc1)CCNCc2cscn2
|
|
|
455
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
|
456
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
457
|
CN(C)C(=O)NCCN1CCCCCc2c1cccc2
|
|
|
458
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
459
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
460
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
|
461
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
462
|
Cc1c2cc(cnc2on1)S(=O)(=O)[N-]c3cccnc3
|
|
|
463
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
|
464
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
465
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
466
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
467
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
468
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
469
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
470
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
|
471
|
c1cc(ccc1C2=C/C(=C/3C=C(C=CC3=O)Cl)/ON2)F
|
|
|
472
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
473
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
474
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
475
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4CC3)NC(=O)N2
|
|
|
476
|
c1ccc(cc1)c2nc3c(o2)c(nc(n3)N)[O-]
|
|
|
477
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
478
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
|
479
|
Cc1ccc(cc1)Nc2nc(=[NH2+])ss2
|
|
|
480
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
481
|
Cc1cc(n(n1)C)C(=O)c2c(nn(c2Cl)C)C
|
|
|
482
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
483
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
484
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
485
|
c1cc(ccc1C(=O)[O-])Oc2c(nccn2)N3CCCC3
|
|
|
486
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
487
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
488
|
COCCSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4
|
|
|
489
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
490
|
CC1(C(=N[C@@H](C(=O)N1)c2ccccc2)c3ccccc3)C
|
|
|
491
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
|
492
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
493
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
494
|
c1ccc2c(c1)C(=O)c3cccc4c3C2=NNS4(=O)=O
|
|
|
495
|
c1ccc2c(c1)nc3n2CN=C4N3CN(CN4)CCO
|
|
|
496
|
c1cc(cc(c1)Cl)n2ccc(n2)c3cnccn3
|
|
|
497
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
498
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
499
|
C[C@@H]1c2ccccc2OC(=C1CN3CCOCC3)c4ccccc4
|
|
|
500
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
|
501
|
CC(=O)Nc1c(c(cs1)C2=C[C@@H]3[C@@H](C=C2)OCO3)C#N
|
|
|
502
|
c1cncc(c1Sc2nnns2)S(=O)(=O)N
|
|
|
503
|
CC(=C1CC[C@@]2([C@@]1([C@@H](C(=O)O2)Cc3ccccn3)C)C)C
|
|
|
504
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
505
|
|
|
|
506
|
c1ccc2c(c1)C[C@@]3(c4ccccc4C=C3NC2=O)O
|
|
|
507
|
CCc1nnc(o1)COC(=O)cc([n-]s/c2=NC)C
|
|
|
508
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
509
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
510
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
|
511
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
|
512
|
CCc1cc(c(=O)[nH]c1C)[C@@](C#CC2CC2)(C(F)(F)F)OC
|
|
|
513
|
CN(C)c1nc(nc(n1)N)CN2CCNC(=O)C2
|
|
|
514
|
Cc1c(c(on1)C)C(=O)n2ccc(n2)c3c(nc(o3)C)C
|
|
|
515
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
516
|
c1ccc2c(c1)[C@H]3C[C@@H]([C@@H]2N3)c4ccc(nc4)Cl
|
|
|
517
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
518
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
|
519
|
CCn1c2ccncc2nc1C3=CCNC=C3
|
|
|
520
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
521
|
c1ccc(cc1)Nc2nc(ns2)N
|
|
|
522
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
|
523
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
|
524
|
c1ccc(cc1)c2nnnn2C3(CCCCC3)n4cccn4
|
|
|
525
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
526
|
|
|
|
527
|
Cc1cc(n(n1)c2ccccn2)Nc3c(=O)[nH]c4ccccc4n3
|
|
|
528
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
529
|
|
|
|
530
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
531
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
532
|
Cc1ccc(cc1)S(=O)(=O)Cn2cccc(c2=O)O
|
|
|
533
|
Cn1c(=O)c(nn(c1=O)C)Oc2ccc3c(c2)OCO3
|
|
|
534
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
|
535
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
536
|
c1ccc2c(c1)[C@@H](C(=O)N2)[C@@H]3C(=O)Nc4ccccc4S3
|
|
|
537
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
538
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
539
|
Cc1c(sc(n1)C)c2cc[nH]n2
|
|
|
540
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
541
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
|
542
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
543
|
|
|
|
544
|
c1ccc2c(c1)c3cc(c(cc3o2)n4cccc4)N
|
|
|
545
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
546
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
|
547
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
548
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
549
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
550
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
551
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
|
552
|
CC(C)(C)n1c(=O)nc2n1cc(s2)N(C)c3ccccc3
|
|
|
553
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
554
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
|
555
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
|
556
|
Cc1ncc(s1)CN(C)[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
557
|
CC1(c2cccnc2NC1=O)C
|
|
|
558
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
|
559
|
CCc1c(nco1)C(=O)N[C@@H]2CC(=O)N(C2)CC(C)(C)C
|
|
|
560
|
CCOC(=O)C1=C(N=C2Nc3ccccc3N2[C@@H]1c4ccco4)C
|
|
|
561
|
CN(Cc1c(snn1)Cl)S(=O)(=O)c2ccc(cc2)F
|
|
|
562
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
|
563
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
564
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
|
565
|
C[C@@]12CCC3=C([C@@H]1CCCC2=O)CSc4c3ccc(c4)OC
|
|
|
566
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
567
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
568
|
|