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Virtual screening for IDP 3OEX - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
2
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
3
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
4
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
5
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
6
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
7
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
8
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
9
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
10
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
11
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
12
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
13
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
14
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
15
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
16
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
17
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
18
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
19
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
20
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
21
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
22
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
|
23
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
24
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
25
|
c1ccc(cc1)c2cc(nc3c2c4c(o3)oc(n4)N)c5ccccc5
|
|
|
26
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
27
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
28
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
29
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
30
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
31
|
|
|
|
32
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
33
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
34
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
35
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
36
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
37
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
38
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
39
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
40
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
41
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
42
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
43
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
44
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
45
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
46
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
47
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
48
|
Cc1c(sc(n1)c2c(cnc(n2)NCC=C)c3ccsc3)C
|
|
|
49
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
50
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
51
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
52
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
53
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
54
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
55
|
Cc1c(n(c(=O)n1c2ccccc2)C)NC(=O)NC3CCCC3
|
|
|
56
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
57
|
|
|
|
58
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
59
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
60
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
61
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
62
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
63
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
64
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
65
|
c1cc(cnc1)c2cc(c3c(n2)nc(nc3[O-])N)C(F)(F)F
|
|
|
66
|
CCOc1ccc2c(nc(nc2c1)/N=C/NCCC(=N3)[O-])C
|
|
|
67
|
C/C(=C/C=CC=CCc1cnco1)/[C@H](C(C)(C)C(=O)N)O
|
|
|
68
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
69
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
70
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
71
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
72
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
73
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
74
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
75
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
76
|
CC1(Nc2c(nnc(n2)SCC(=O)[O-])-c3ccccc3O1)C
|
|
|
77
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
78
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
79
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
80
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
81
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
82
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
83
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
84
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
|
85
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
86
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
87
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
88
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
89
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
90
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
91
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
92
|
|
|
|
93
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
94
|
c1ccc(cc1)c2nnn(n2)CCS(=O)(=O)N3CCOCC3
|
|
|
95
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
96
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
97
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
98
|
c1ccc(cc1)CN2C=N[C@@H]3[C@@H]2N=C(N=C3N)Cl
|
|
|
99
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
100
|
c1ccc(cc1)[C@@H]2C=C(N=C3C2=C(NC(=O)N3)[O-])c4ccccc4
|
|
|
101
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
102
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
103
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
104
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
105
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
106
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
107
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
108
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
|
109
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
110
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
111
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
112
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
113
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
114
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
115
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
116
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
117
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
118
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
119
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
120
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
121
|
CN1[C@@H](C(=CC1=O)n2c3ccccc3nn2)Cc4ccccc4
|
|
|
122
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
123
|
CC1=C[C@@H]2Cc3c(c(c4c(n3)oc(n4)C5CC5)N)[C@@H](C2)C1
|
|
|
124
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
125
|
C1CCC(CC1)C#C[C@@]2(C3CCCCC3C(=O)C4C2CNCC4)O
|
|
|
126
|
c1ccc(cc1)C2=C(C2(C#N)c3ccccc3)c4ccccc4
|
|
|
127
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
128
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
129
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
130
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
131
|
CC1(OC[C@H]([C@H](O1)c2cccnc2)C/C=CCCC(=O)[O-])C
|
|
|
132
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
133
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
|
134
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
135
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
136
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
137
|
C#CCCCNc1c(=O)n(cc(n1)Cl)c2ccccc2
|
|
|
138
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
139
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
140
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
141
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
142
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
143
|
c1ccc2c(c1)nc3n2C4(CCCC4)NC(=[NH+]3)N
|
|
|
144
|
|
|
|
145
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
146
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
147
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
148
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
149
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
150
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
151
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
152
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
153
|
c1cc(oc1)Cn2c(=O)c3cnc(nc3nc2[O-])n4ccnc4
|
|
|
154
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
155
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
156
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
157
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
158
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
159
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
160
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
161
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
|
162
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
163
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
164
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
165
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
166
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
167
|
C1CC2C3=C4[C@@H](C=C3C1)NC(=O)[C@]45CCCC[C@@H]5C2
|
|
|
168
|
c1ccc(cc1)[C@@](CC#CN2CCCCC2)(C3CCCC3)O
|
|
|
169
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
170
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
171
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
172
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
|
173
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
174
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
175
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
176
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
177
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
178
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
179
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
180
|
COC(=O)Nc1cn2c(n1)ccc(n2)C(=O)N
|
|
|
181
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4CC3)NC(=O)N2
|
|
|
182
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
183
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
184
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
185
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
186
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
187
|
c1ccc(cc1)c2nc3n(n2)Cc4ccccc4C35CCOCC5
|
|
|
188
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
189
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
190
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
191
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
192
|
|
|
|
193
|
c1cc(cnc1)[C@@H]2CC(=O)Nc3c2c4c(s3)CCCC4
|
|
|
194
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
195
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
196
|
c1ccc(cc1)/C=C/2CCCC3=C2NC(=O)N[C@@H]3c4ccccc4
|
|
|
197
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
198
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
|
199
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
200
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
201
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
202
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
203
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
204
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
|
205
|
|
|
|
206
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
207
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
208
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
209
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
|
210
|
c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2)NCC3=COCCO3)F
|
|
|
211
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
212
|
C[C@H]1CCCN(C1)C2=c3ccccc3=[NH+]/C(=C/C=CC=CC4=O)/N2
|
|
|
213
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
|
214
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
215
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
216
|
CC(=O)N[C@@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
217
|
COC1CCC(CC1)/C=C/2C(=C)[NH]N(C2=O)CC3CCCCC3
|
|
|
218
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
219
|
C[C@@H]1CCC2C(C3C(=O)[NH]C(=O)[NH]C3OC2=O)C1
|
|
|
220
|
CC(=O)O[C@@H](c1ccccc1)C(=O)Nn2c(nnn2)N
|
|
|
221
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
222
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
223
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
|
224
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
225
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
226
|
c1cc(cnc1)C#C[C@@]2(c3cc(ccc3NC(=O)N2)Cl)C4CC4
|
|
|
227
|
CCC(=O)n1c2ccccc2c3c1Nc4ccccc4N3
|
|
|
228
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
229
|
|
|
|
230
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
231
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
232
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
233
|
CSc1nc2c(c(n1)NCCCO)SCCC2
|
|
|
234
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
235
|
c1nc([nH]n1)OC23CC4CC(C2)CC(C4)C3
|
|
|
236
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
237
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
238
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
239
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
240
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
241
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
242
|
CC(=O)c1c(n(nn1)C2CCCCC2)NC3CCCCC3
|
|
|
243
|
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
|
|
|
244
|
CCOC(=O)c1cnc(nc1Sc2nnc(s2)C)SC
|
|
|
245
|
c1cc(cnc1)N2CC[C@H]3C[NH2+][C@H]3C2
|
|
|
246
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
247
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
248
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
249
|
C1=N[C@@H]2[C@@H](C(=O)N1)N=CN2[C@@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
250
|
CC(=O)Nc1cc2c(s1)C3(CCCCC3)CC(=O)N2
|
|
|
251
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
252
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
253
|
CC1CCC(CC1)S(=O)(=O)NC2CC(C3C(C2C)CCN=C3)C
|
|
|
254
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
255
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
256
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
257
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
258
|
COC(=O)c1c(c2c([nH]1)c3ccccc3n4c2nnn4)N
|
|
|
259
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
260
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
261
|
c1ccc2c(c1)c(=O)c(c([nH]2)[O-])C(=O)Nc3nccs3
|
|
|
262
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
263
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
264
|
CC(C)NC(=O)CSc1cnnn1c2ccccc2F
|
|
|
265
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
266
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
267
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
268
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
269
|
|
|
|
270
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
271
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
272
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
273
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
274
|
CN1C2C(C(=O)N(C1=O)C)N[C@@]3(N2)C4CCCCC4NC3=O
|
|
|
275
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
276
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
|
277
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
278
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
279
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
|
280
|
Cc1cs/c(=NC)/n1NC(=O)Nc2ccc(cc2)Cl
|
|
|
281
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
282
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
|
283
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
284
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
285
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
286
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
287
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
288
|
CCOC(=O)N/C(=C/c1ccccn1)/c2ccc(cc2)Cl
|
|
|
289
|
CCn1c2ccccc2n3c1nnc3c4cc(nn4C)C
|
|
|
290
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
291
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
|
292
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
293
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
294
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
295
|
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
|
|
|
296
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
297
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
298
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
299
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
300
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
301
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
302
|
CC1NNC2N1-C3CCCCC3-C4C(C5CCCCC5[NH]4)C2
|
|
|
303
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
304
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
305
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
306
|
c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C(=O)NC4
|
|
|
307
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
|
308
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
|
309
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
310
|
C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)c2nc3c(cccn3n2)N)O)O)O
|
|
|
311
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
312
|
c1ccc(cc1)NC(=O)N/C=C/c2cccs2
|
|
|
313
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
314
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
315
|
CC(=O)NCCc1coc2c1ccnc2
|
|
|
316
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
317
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
318
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
|
319
|
CNC(=O)c1c(n(nn1)C)Sc2c(nns2)C(=O)NC
|
|
|
320
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
321
|
c1ccc(cc1)C2=NC(=O)N=C2NC(=O)Nc3ccc(cc3)Cl
|
|
|
322
|
C[C@]12CN(C[C@H]1NC(=O)c3ccccc3C2=O)C(=O)C4CC4
|
|
|
323
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
324
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
325
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
|
326
|
CC1=CC=CN2C1=[NH+]C(=C3C2=NC(=O)C[C@@H]3c4ccc(cc4)F)[O-]
|
|
|
327
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
328
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
329
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
330
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
331
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
332
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
|
333
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
|
334
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
335
|
c1ccc(cc1)[C@@H]2c3cc4c(cnc5n4ncn5)c(=O)n3C(=O)N2
|
|
|
336
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
337
|
Cc1c(c2c(o1)c(c(c(c2F)F)F)F)c3nc(on3)C(C)(C)C
|
|
|
338
|
COc1ccc(cc1)C2=Nn3c(nnn3)-c4ccccc4C2
|
|
|
339
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
|
340
|
[H]/N=C/[C@@H](c2c(nc3ccccc3n2)Sc4ccccc4N1)C#N
|
|
|
341
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
342
|
c1ccc2c(c1)[nH]c(n2)[C@H](C#N)c3c(nc(c(n3)C#N)C#N)Cl
|
|
|
343
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
344
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
345
|
CCOC(=O)Nc1cc2c(c(n1)N)N=C(CO2)c3ccccc3
|
|
|
346
|
|
|
|
347
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
348
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
349
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
|
350
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
351
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
352
|
c1ccc(cc1)/C/2=N/c3ccccc3NC(=O)c4c2cccc4
|
|
|
353
|
C1C(C(=O)[NH]C(=O)O1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
354
|
COC(=O)[C@@H]1c2c(oc3cc(cc(c3c2=O)O)CO)C=C[C@@H]1O
|
|
|
355
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
|
356
|
CC[C@@H]1c2c(c3ccccc3oc2=O)Oc4c1c(=O)[nH]c(n4)C
|
|
|
357
|
C1Cn2c(nnn2)C3(C4CC5CC(C4)CC3C5)NC1=O
|
|
|
358
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
359
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
360
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
361
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
362
|
Cc1cc(n(n1)c2ccccn2)Nc3c(=O)[nH]c4ccccc4n3
|
|
|
363
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
364
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
365
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
|
366
|
CC(C)(C)C1=C(N2[C@H](O1)[C@@H](C2=O)[C@@H](c3ccncc3)O)C(=O)[O-]
|
|
|
367
|
c1ccc(cc1)C2=CC=CC(C2(O)O)(O)O
|
|
|
368
|
C1CCC2CC3C(CC2C1)[C@@]4(C5CCCCC5C(=O)[C@@]4(O3)O)O
|
|
|
369
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
|
370
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
371
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
372
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
373
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
374
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
375
|
Cc1ccccc1[C@@H]2N=C(Nc3n2c4ccccc4c(=O)n3)N
|
|
|
376
|
c1cc2c(cc1Cl)ncn3c2nn(c3=O)CC(=O)N
|
|
|
377
|
|
|
|
378
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
379
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
380
|
|
|
|
381
|
CCN(CC)C1=Nc2ccccc2-n3ccnc3C1
|
|
|
382
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
383
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
384
|
c1ccc-2c(c1)CCc3c2nnn3c4ccc(cc4)Br
|
|
|
385
|
Cc1c(c(n(n1)C)Sc2ccc(cc2)Cl)C(=O)N
|
|
|
386
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
387
|
CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3
|
|
|
388
|
C[C@@H]1Cc2c3c(cccc3N1)ncn2
|
|
|
389
|
CC1(CO[C@@]2([C@@H]1O)OC[C@@H](O2)COC3CCCCC3)C
|
|
|
390
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
391
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
392
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
393
|
c1ccc2c(c1)c(co2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
|
394
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
395
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
|
396
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
397
|
CC1NCC(N1CC2CCCCC2)[C@@H](C3CCCO3)O
|
|
|
398
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
399
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
400
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
401
|
CCCNC(=O)CSc1c(nccn1)Sc2ccccc2
|
|
|
402
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
403
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
404
|
Cc1cc2c(cc1C)n(cn2)c3c(=O)n(c(=O)n(n3)C)C
|
|
|
405
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
|
406
|
Cc1ccc2n1-c3cc(c(cc3C(=O)NC2)OC)OC
|
|
|
407
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
408
|
|
|
|
409
|
c1ccc(cc1)c2nc(=[NH2+])sn2c3ccccc3
|
|
|
410
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
411
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
412
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
413
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
414
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
415
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
416
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
417
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
418
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
419
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
420
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
421
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
422
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
|
423
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
424
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
425
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
|
426
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
427
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
428
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
429
|
|
|
|
430
|
[H]/N=c/[nH]c-2c(s1)-c3cccc4c3c2ccc4
|
|
|
431
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
432
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
433
|
CC1=CC(N=c2n1c(=O)/c(=C/C(=O)OC)/[nH]2)(C)C
|
|
|
434
|
c1csc2c1-c3c(c(no3)C(=O)[O-])CC2
|
|
|
435
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
436
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
|
437
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
438
|
c1ccc(c(c1)N)Sc2cnccn2
|
|
|
439
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
440
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
441
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
442
|
Cc1c2c(c(oc2ncn1)c3ccco3)c4ccco4
|
|
|
443
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
444
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
445
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
446
|
|
|
|
447
|
COC1=CC2CCNC3C2C(C4CCCCC4C3[O-])C1=O
|
|
|
448
|
c1ccc(cc1)n2c(c-3sc4ccccc4nc3c2=O)[O-]
|
|
|
449
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
450
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
451
|
c1ccc(cc1)C2=N[C@@](C(=O)N2)(C(F)(F)F)Nc3ccccn3
|
|
|
452
|
CC1CCC2C3C1[C@@H]([C@@H]([C@@H]3CCS2)C(=O)N)O
|
|
|
453
|
CC(=C)[C@@H](C(=O)OC)N1C(=O)C(CS1)NCC2CCCCC2
|
|
|
454
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
455
|
CC1NC2C(C(CS2)OC(=O)C)C3N1C4CCCCC4N3
|
|
|
456
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
457
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
|
458
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
459
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
|
460
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
461
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC=C)CCn2cccn2
|
|
|
462
|
CC1(C/C(=C/2C=Nc3c2cccc3)/C=C4[C@@]1(c5ccccc5N4)O)C
|
|
|
463
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
464
|
CC1CC(N2C1[C@@H](CC2)O)C3(C(=O)C4CCCCC4C3=O)O
|
|
|
465
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
466
|
c1ccc(cc1)[C@@H]2Cn3c(nnn3)-c4ccccc4O2
|
|
|
467
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
|
468
|
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
|
|
|
469
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
470
|
c1cnn(c1)c2ccc(cc2c3nnc4n3ccnc4)F
|
|
|
471
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
472
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
473
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
|
474
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
475
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
476
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
477
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
478
|
c1ccc2c(c1)Nc3cc(ccc3S2)c4cc[nH]n4
|
|
|
479
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
480
|
c1ccc2c(c1)C(=N[C@@]3(N2C(=O)CC3)C(=O)Nc4nccs4)O
|
|
|
481
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
482
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
|
483
|
|
|
|
484
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
485
|
C[C@@H]1Cn2c(cc3c2c(ccc3)O1)C(=O)[O-]
|
|
|
486
|
CCC(=O)Nc1cnn(c1)Cc2nnnn2CCOC
|
|
|
487
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
|
488
|
|
|
|
489
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
490
|
CC(=O)Nc1nnc(s1)c2c(non2)N
|
|
|
491
|
CC(=O)Nn1c(cn2c3ccsc3cc2c1=O)c4ccccc4
|
|
|
492
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
493
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
|
494
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
495
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
496
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
497
|
CCOC(=O)[C@@]12CCC[C@@]1(NC(=O)C3C2CCNC3)O
|
|
|
498
|
c1c2c(nc3c1c(=O)n(cn3)CC(=O)[O-])CCC2
|
|
|
499
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
500
|
CSc1c([n-]c(n1)c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
501
|
CS(=O)(=O)c1ccc(cc1)c2nnc(s2)[C@@H]3CCC=CC3
|
|
|
502
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
503
|
CNc1nc2c(s1)[C@@H](CC(=N2)O)c3ccccc3
|
|
|
504
|
CCCCn1c(nnn1)NC(=O)N(C)Cc2nc(no2)CC
|
|
|
505
|
CC(=O)c1c(cc(cn1)C(F)(F)F)n2cncn2
|
|
|
506
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
507
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
508
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
509
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
510
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
511
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
512
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
513
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
514
|
Cc1c(c2n(c(=O)n1)CCN2)C(=O)Nc3ccc(cc3)Cl
|
|
|
515
|
CC(=O)NSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
|
|
|
516
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
517
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
518
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
|
519
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
|
520
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
521
|
C1C2CC3CC1CC(C2)C34C=C(N=C(N4)N)C(F)(F)F
|
|
|
522
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
523
|
Cc1ccc(o1)C2=Nc3ccccc3[N-]C(=N2)c4cccs4
|
|
|
524
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
525
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
526
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
527
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
528
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
|
529
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
530
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
531
|
C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
|
|
|
532
|
CCCN(CCC)c1cc(nc2c1nn(c2c3ccccc3)C)C
|
|
|
533
|
C1Cc2c(nc(nc2c3c4c(nc(n3)N)CCC4)N)C1
|
|
|
534
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
535
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
|
536
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
537
|
c1ccc2c(c1)C[C@@H]([C@@H]2Sc3ncccn3)O
|
|
|
538
|
Cc1ccc(cc1)N(CC2=NCNC2)c3cccc(c3)O
|
|
|
539
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
540
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
|
541
|
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCNc2ccccn2
|
|
|
542
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
543
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
544
|
COc1ccc(cc1)C2=C(C(=O)N3CCC[C@@H]3C2)c4ccccn4
|
|
|
545
|
c1ccc2c(c1)nc3n2nnc4c3cn[nH]4
|
|
|
546
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
547
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
548
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
549
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
|
550
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
|
551
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
552
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
553
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
554
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
555
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
556
|
c1ccc2c(c1)-c3ccccc3C45C2(NC(=O)N4)NC(=O)N5
|
|
|
557
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
|
558
|
Cc1c2c([nH]c(=O)n(c2=O)Nc3ccc(cc3)O)sn1
|
|
|
559
|
CCn1/c(=N/C(=O)C)/sc(n1)SCc2ccccc2
|
|
|
560
|
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F
|
|
|
561
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
562
|
c1ccc(cc1)[C@@H]2c3c4ccccc4c(=O)[nH]c3N=C5N2C=CC=C5
|
|
|
563
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
564
|
CC(=O)Nc1nnc(s1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
565
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
566
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|