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Virtual screening for IDP 3N8H - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
2
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
3
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
4
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
5
|
c1cc2c(cc1C3=CNC(=O)CO3)cc([nH]2)c4ccncc4
|
|
|
6
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
7
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
8
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
9
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
10
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
11
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
12
|
|
|
|
13
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
14
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
15
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
16
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
17
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
18
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
19
|
c1cc(ccc1c2ncc(s2)c3ccc(c(n3)[O-])C#N)Cl
|
|
|
20
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
|
21
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
22
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
23
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
24
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
25
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
26
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
27
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
28
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
|
29
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
30
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
31
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
32
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
33
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
34
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
35
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
36
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
37
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
38
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
39
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
|
40
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
41
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
42
|
c1cnc(nc1C2=C3C(=NC2)CCNC3=O)N
|
|
|
43
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
44
|
|
|
|
45
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
46
|
CC(C)(C)OC(=O)N1CCc2c(ncnc2Cl)CC1
|
|
|
47
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
48
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
|
49
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
50
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
51
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
52
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
53
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
54
|
|
|
|
55
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
56
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
57
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
58
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
59
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
60
|
|
|
|
61
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
62
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
63
|
Cn1c2c(cn1)nnn(c2=O)c3ccccc3
|
|
|
64
|
C[C@@]1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
|
|
|
65
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
66
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
67
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
68
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
69
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
70
|
COCCN1C2C(C(NC(N2)N)N)N=C3C1=CCCC3
|
|
|
71
|
Cc1c(oc(n1)C)c2ccnc(n2)N
|
|
|
72
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
73
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
74
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
75
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
76
|
c1ccc(cc1)c2nc3c(o2)c(nc(n3)N)[O-]
|
|
|
77
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
78
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
79
|
Cc1c(n(c-2n/c(=[NH+]/c3ccccc3)/ncc2n1)c4ccccc4)C
|
|
|
80
|
c1cnccc1N2C(=O)C3=C(S2(=O)=O)CCCC3
|
|
|
81
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
82
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
83
|
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
|
|
|
84
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
85
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
|
86
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
|
87
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
88
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
89
|
c1ccc2c(c1)ccc(n2)n3c4ccc5c(c4nn3)sc(n5)C#N
|
|
|
90
|
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
|
|
|
91
|
c1cnccc1c2cnc3c(cnn3c2)C4=CCCC4
|
|
|
92
|
Cc1cc(=O)n2c([nH]1)c(c(n2)NC)c3nc(no3)c4ccccc4
|
|
|
93
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
94
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
95
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
|
96
|
Cc1ccc(cc1)N2Cc3cc(=O)n4c5ccccc5nc4c3=C2N
|
|
|
97
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
98
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
99
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
100
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
|
101
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
102
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
103
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
104
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
105
|
c1ccc2c(c1)nc3n2nnc4c3cn[nH]4
|
|
|
106
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
107
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
108
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
109
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
110
|
Cc1nc2c3c(sc2c(=O)o1)N4CCC[C@@H]4N=C3
|
|
|
111
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
112
|
Cc1c2cc(sc2nc3c1[nH]c(cc3=O)[O-])c4cccs4
|
|
|
113
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
114
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
115
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
116
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
117
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
118
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
119
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
120
|
c1ccc(cc1)n2c(=O)c(c(cn2)n3cc(nn3)CO)Cl
|
|
|
121
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
122
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
123
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
124
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
125
|
|
|
|
126
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
127
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
128
|
C[C@@H]1C(=C/C(=C/n2c3ccccc3nn2)/O1)c4ccccc4
|
|
|
129
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
130
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
131
|
Cc1ccc2c(c1C)N=C3[C@H](N2)C(=O)C3=O
|
|
|
132
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
133
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
134
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
|
135
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
|
136
|
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
|
|
|
137
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
138
|
C1CCC(CC1)N2C(=O)N3N(C2=O)-C4CC5CCCCC5CC4C3
|
|
|
139
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
140
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
141
|
|
|
|
142
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
143
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
144
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
145
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
146
|
COC(=O)c1c2c(n3cnnc3n1)OCC2
|
|
|
147
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
148
|
|
|
|
149
|
|
|
|
150
|
|
|
|
151
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
152
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
153
|
Cc1c(c(on1)C)C(=O)n2cc3c(n2)-c4cc(ccc4SC3)F
|
|
|
154
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
155
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
156
|
c1ccc-2c(c1)CSc3c2nc(nc3)N
|
|
|
157
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
158
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
159
|
Cc1cc(n(n1)c2nc(nc(n2)OC)n3c(cc(n3)C)C)C
|
|
|
160
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
161
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
162
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
|
163
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
164
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
165
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
166
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
167
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
168
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
169
|
Cc1c(sc(n1)C)c2ccnc(n2)N
|
|
|
170
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
|
171
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
172
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
173
|
C1CCC2C(C1)CC3C(N2)-C4C(C5COCC5C(=O)N4C3)O
|
|
|
174
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
175
|
c1ccc-2c(c1)CCc3c2nnn3c4ccc(cc4)Br
|
|
|
176
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
177
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
178
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
179
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
180
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
181
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
|
182
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
|
183
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
184
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
185
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
|
186
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
187
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
188
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
189
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
190
|
c1c2c(nc(n1)N)CCOC2
|
|
|
191
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
192
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
193
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
194
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
195
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
196
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
197
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
|
198
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
199
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
200
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
201
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
202
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
203
|
CC1C2C(NCN1)S[C@@H](CC2)O
|
|
|
204
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
205
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
206
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
207
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
208
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
209
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
210
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
211
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
|
212
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
213
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
214
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
215
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
|
216
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
217
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
|
218
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
219
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
|
220
|
|
|
|
221
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
222
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
223
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
|
224
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
225
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
226
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
227
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
228
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
229
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
230
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
231
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
232
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
233
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
234
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
235
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
236
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
237
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
238
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
239
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
240
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
241
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
242
|
c1csc2c1c(ncn2)N
|
|
|
243
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
|
244
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
245
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
246
|
CC(C)[C@@]1(C(=NC(=N1)c2c(cc3ccccc3n2)C(=O)[O-])O)C
|
|
|
247
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
248
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
249
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
250
|
C[C@@]1(COC(=O)N1)[C@@H]2CCc3cc(ccc3C2)O
|
|
|
251
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
252
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
253
|
C[C@@H]1c2nc3ccccc3c(=O)n2CN1c4ccc(cc4)F
|
|
|
254
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
255
|
c1ccc(cc1)c2nnnn2c3ccn(n3)c4ccccc4
|
|
|
256
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
257
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
258
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
259
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
|
260
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
261
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
262
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
263
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
264
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
265
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
266
|
Cc1c(nc2n1-c3ccccc3C2)c4ccc(cc4)OC
|
|
|
267
|
c1cc2c(cc1c3ccncc3)scc(c2=O)C(=O)N
|
|
|
268
|
c1ccc(cc1)C2=N[C@@H]3N(C2)c4ccc(cc4S3)C(=O)[O-]
|
|
|
269
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
270
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
|
271
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
|
272
|
CCc1c2cc(ccn2c(=O)c3c1s[nH]c3=O)c4ccncc4
|
|
|
273
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
274
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
275
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
276
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
|
277
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
278
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
|
279
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
280
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
281
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
282
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
283
|
CC1NCC2C(N1)N=C(NC2)C3CCC(CC3)CL
|
|
|
284
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
285
|
Cn1c2c(cn1)nc3c(c2Cl)CCCC3
|
|
|
286
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
287
|
C1=C[C@@]2([C@@H]3[C@@H]([C@H]1O2)C(=NC3=O)[O-])CO
|
|
|
288
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
289
|
CCCSc1[n-]s/c(=NC(=O)Cn2c(=O)ccc(n2)O)/n1
|
|
|
290
|
c1ccc2c(c1)[nH]c(=O)n2c3nc4c(o3)cccn4
|
|
|
291
|
c1ccc(cc1)c2c(nc3c(n2)c(nnc3N)N)c4ccccc4
|
|
|
292
|
|
|
|
293
|
Cc1cc(nc(n1)SC)C(=O)Nc2c(nsc2C)C
|
|
|
294
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
295
|
CCOC(=O)N1CN(Cc2c1oc3ccccc3c2=O)CCO
|
|
|
296
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
|
297
|
CN(C)C1CCC(CC1)/C=C/C2C3C(NCCN3)NC(N2)N
|
|
|
298
|
Cc1ccc(cc1)C2=Nc3ccccc3NC(=N2)c4ccncc4
|
|
|
299
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
300
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
301
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
302
|
c1cnc(nc1c2nccs2)N
|
|
|
303
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
304
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
305
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
306
|
c1cc(ccc1C[C@@H]2C(=NC(=NC2=O)O)O)F
|
|
|
307
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
308
|
|
|
|
309
|
c1ccnc(c1)NC(=O)Nc2cccc3c2-c4cccn4C3=O
|
|
|
310
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
311
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
312
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
313
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
|
314
|
|
|
|
315
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
316
|
c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
|
|
|
317
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
318
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
319
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
320
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
321
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
322
|
Cc1c([o+]c(nc1c2ccccc2)c3ccccc3)/C=CN(C)C
|
|
|
323
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
324
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
325
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
326
|
Cc1nc(cs1)c2ccnc(n2)N
|
|
|
327
|
COc1ccccc1n2ccnc(c2=O)N
|
|
|
328
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
329
|
CCOc1cc2c(cc1F)nnc(n2)C
|
|
|
330
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
331
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
332
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
333
|
Cc1cc(nc(n1)N)n2c(cc(n2)c3ccco3)C(F)(F)F
|
|
|
334
|
CC(=O)NCCc1coc2c1ccnc2
|
|
|
335
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
|
336
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
337
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
338
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
339
|
c1ccc2c(c1)cc(c(=O)o2)C3=Nc4ccccc4S(=O)(=O)N3
|
|
|
340
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
341
|
CC1NC(CN1C)S(=O)(=O)[N-]C2CNN(C2)CC(=O)OC
|
|
|
342
|
c1c2c(nc(n1)N)SCC2
|
|
|
343
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
344
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
|
345
|
c1ccc2c(c1)nc(c3n2cnn3)Nc4cc(ccc4O)Cl
|
|
|
346
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
347
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
348
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
349
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
|
350
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
351
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
352
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
353
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
354
|
Cn1cnc2c1ccnc2C(=O)NCC(=O)[O-]
|
|
|
355
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
356
|
C1CCc2c(nc(nn2)N)C1
|
|
|
357
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
358
|
c1cn(c(=O)nc1N)[C@@H]2CO[C@@H](O2)CO
|
|
|
359
|
C1CCC(CC1)C2CC(O/C(=N/N3CNNC3)/C2)C4CCCCC4
|
|
|
360
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
361
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
|
362
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
|
363
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
364
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
365
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
|
366
|
Cn1c(=O)c(nn(c1=O)c2ccccc2)c3nc(on3)[O-]
|
|
|
367
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
368
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
369
|
CCc1nc(c2n1c(ccc2)C)N3CCCC3=O
|
|
|
370
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
371
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
|
372
|
c1ccc(cc1)C2=C(C=NC(=C3C=CC(=O)C=C3)N2)c4cnccn4
|
|
|
373
|
Cc1c(non1)c2cc3ccccn3c2
|
|
|
374
|
C1CCC(CC1)C2=CC[C@@]3(CC=C(N=C3N2)C4CCCCC4)C#N
|
|
|
375
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
376
|
c1ccc(cc1)c2cn3c(=O)c4ccccc4sc3c2C#N
|
|
|
377
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
378
|
c1ccc2c(c1)nc(c3n2nnn3)N
|
|
|
379
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
380
|
c1ccc(cc1)c2nn3c(=O)c4ccccc4nc3o2
|
|
|
381
|
C1COCCN1C2=NN3C(=CC(=C4C=CC(=O)C=C4)N3)S2
|
|
|
382
|
c1cc(cc(c1)Cl)n2c(=O)c3c(nc2[O-])non3
|
|
|
383
|
Cc1ccc(n1c2[n-]c(nn2)SCCCC(=O)[O-])C
|
|
|
384
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccccc4
|
|
|
385
|
c1ccc2c(c1)-c3nc(nn3[C@@H](N2)c4ccc(cc4)Cl)C5CC5
|
|
|
386
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
387
|
|
|
|
388
|
CCCNc1ccccc1c2nc3c(c(n2)[O-])n[n-]n3
|
|
|
389
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
390
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
391
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
|
392
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
393
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
394
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
|
395
|
|
|
|
396
|
C1CC(CCC1NC(=O)C2=C([C@@H]3C=C[C@H]2O3)C(=O)[O-])CL
|
|
|
397
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
|
398
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
399
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
400
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
401
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
402
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
403
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
404
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
405
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
406
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
|
407
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
408
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
409
|
CC1(c2cc3ccccc3[o+]c2C=C4C1=Cc5ccccc5O4)C
|
|
|
410
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
411
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
412
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
|
413
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
414
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
415
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
|
416
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
417
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
418
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
|
419
|
C=CC[C@@H]1C(=NC(=NC1=O)N)O
|
|
|
420
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
|
421
|
CC(=O)C1C2C(NC(N1)C(=O)C)N(CN2)C(=O)C
|
|
|
422
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
423
|
Cc1ccc2c(c1)nnc(n2)N
|
|
|
424
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
425
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
426
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
|
427
|
c1ccc2c(c1)C(=C(CS2)C(=O)Nc3ccccn3)[O-]
|
|
|
428
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
429
|
Cc1cc(nc(n1)C)n2cnc(n2)C#N
|
|
|
430
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
|
431
|
CCOC1NC(=O)N(S1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
432
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
433
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
434
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
435
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
436
|
Cn1cc(nc1C(=O)[O-])NC(=O)c2cccs2
|
|
|
437
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
438
|
c1ccc(cc1)NC(=O)/C=c/c(nc3n2ncn3)O
|
|
|
439
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
440
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
441
|
Cc1cccnc1NC(=O)NC2(CCC2)c3nc(on3)C
|
|
|
442
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
443
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
444
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
|
445
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
446
|
c1cc(cc2c1cc3c([o+]2)/C=Cc4ccc(cc4OC3=O)O)O
|
|
|
447
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
448
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
|
449
|
c1ccc2c(c1)c3n(n2)C(=O)c4ccccc4C3=O
|
|
|
450
|
CC1CCC(CC1)S(=O)(=O)NC2CC(C3C(C2C)CCN=C3)C
|
|
|
451
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
|
452
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
453
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
454
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
455
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
456
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
|
457
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
458
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
459
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
460
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
461
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
462
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
463
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
464
|
Cc1c2c(nc(s2)N(C)CC(=O)[O-])n(n1)c3ccccc3
|
|
|
465
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
466
|
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4cccnc4)CS2
|
|
|
467
|
|
|
|
468
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
469
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
470
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
|
471
|
Cc1c2c(oc(c2c(=O)[nH]n1)NC(=O)Cn3ccnc3)C
|
|
|
472
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
473
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
474
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
|
475
|
c1cc(ccc1Cn2c(=O)oc(n2)c3ccoc3)C#N
|
|
|
476
|
CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
|
|
|
477
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
478
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
479
|
c1csc2c1n3c(c(cn3)C(=O)[O-])nc2Cl
|
|
|
480
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
481
|
|
|
|
482
|
C1CC(CCC1/C/2=C/C(=O)OC3CC(CCC3C[C@@H]2O)O)O
|
|
|
483
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
484
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
485
|
Cc1cc2c3nnnn3cnc2s1
|
|
|
486
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
487
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
488
|
C=CCNC1CCNC(N1)N
|
|
|
489
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
490
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
491
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
|
492
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
|
493
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
|
494
|
c1coc2c1-c3c(cnc(n3)N)CC2
|
|
|
495
|
c1cc(oc1)C2=NN3C(=N[C@H]4CCCC[C@H]4C35CCCCC5)N2
|
|
|
496
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
497
|
CC1(C/C(=C/2C=Nc3c2cccc3)/C=C4[C@@]1(c5ccccc5N4)O)C
|
|
|
498
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
499
|
Cn1c(cc(=O)n(c1=O)C)Cn2nc(nn2)c3ccccc3
|
|
|
500
|
c1c(c(n2c(n1)ncn2)[O-])n3cncn3
|
|
|
501
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
|
502
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
503
|
CC1=CC(C=C2N1C(=O)C[C@@H](N2)C(=O)Nc3ccccc3)(C)C
|
|
|
504
|
CO[C@@]1(CC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
505
|
Cc1ccc(cc1)[C@@H]2N=C(C(=N2)c3ccccc3OC)C
|
|
|
506
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
507
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
508
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
|
509
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
510
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
511
|
|
|
|
512
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
513
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
|
514
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
515
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
516
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
517
|
Cc1cc(nc2c1c(=O)nc3n2ncs3)C
|
|
|
518
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
519
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
|
520
|
|
|
|
521
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
522
|
Cc1c2cc3c(nc2on1)C(=O)OCC3
|
|
|
523
|
C1NC2C(C(N1)N)NC(=O)C2
|
|
|
524
|
c1cc(ccc1C(=O)[O-])/N=N/SCCO
|
|
|
525
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
526
|
Cc1c-2c(oc1C(=O)[O-])CC(c3c2nc4ccccc4n3)(C)C
|
|
|
527
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4OC3)N=C5N2N=CN5
|
|
|
528
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
529
|
c1ccc(cc1)c2nn3c(nnc3s2)c4cc5ccccc5[nH]4
|
|
|
530
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
531
|
CC(=O)NC1CCC2C(C1)NCNN2
|
|
|
532
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
533
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
|
534
|
Cc1nc(cs1)c2nc(no2)c3ccc(cc3)CO
|
|
|
535
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
536
|
c1nc2c(c(n1)N)N=C[C@H]2[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O
|
|
|
537
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
|
538
|
Cc1c2c(nc(n1)N)OCC2
|
|
|
539
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
540
|
C1CCC(CC1)C2NCC3N2NCN3C4CCCCC4
|
|
|
541
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
542
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
|
543
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
544
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
|
545
|
c1cc(ccc1c2nc(cs2)SCC(=O)[O-])Cl
|
|
|
546
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
547
|
|
|
|
548
|
|
|
|
549
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
550
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
|
551
|
Cc1ncc(c(n1)N)CSc2nc(ns2)SC
|
|
|
552
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
553
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
|
554
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
555
|
CC(C)(C)c1cc(c(s1)C(=O)OC)CSc2ccccn2
|
|
|
556
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
557
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
|
|
558
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
559
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
560
|
Cc1c2cc(cnc2on1)S(=O)(=O)[N-]c3cccnc3
|
|
|
561
|
CC1C(NC2C(N1)C(NNC2C3CCCCC3)C4CCCCC4)C
|
|
|
562
|
C=c1/c(=c/c(=O)n3c4ccccc4nc3s2)/c5ccccc5[nH]1
|
|
|
563
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
564
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
|
565
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
|
566
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
|
567
|
c1cc(cc(c1)n2c(c(n(c2=O)C3CC3)[O-])[O-])N
|