Menu
Virtual screening for IDP 3LB0 - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1c(nnn1CC(=O)[O-])CO
|
|
|
2
|
Cc1c(nnc2c1c(n[nH]2)N)C
|
|
|
3
|
CCOC(=O)Cn1nnnn1
|
|
|
4
|
C1Cc2c(non2)-c3c1non3
|
|
|
5
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
|
6
|
C1C[C@@H](Cc2c1snn2)C(=O)[O-]
|
|
|
7
|
CN1CNC2C1NNNC2[O-]
|
|
|
8
|
|
|
|
9
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
|
10
|
CC(=O)Oc1ccc(nn1)[O-]
|
|
|
11
|
C([C@H](c1c(c(c(o1)O)[O-])O)O)O
|
|
|
12
|
CC1C(C(ON1)C)CC2NNC(O2)N
|
|
|
13
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
14
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
|
15
|
c1nc-2[nH]c(c(nc2n1)N)[O-]
|
|
|
16
|
C(C1[N-]NNN1)C2[N-]NNN2
|
|
|
17
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
18
|
c1nc(no1)c2c(non2)N
|
|
|
19
|
C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](N2C(=O)N1)O)O)O)O
|
|
|
20
|
|
|
|
21
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
22
|
C1CNC-2NCN3C(C12)NN[NH]3
|
|
|
23
|
CS(=O)(=O)Nc1[n-]cnn1
|
|
|
24
|
C(c1c(non1)N)c2c(non2)N
|
|
|
25
|
Cn1c(ncn1)C(c2ncnn2C)(C(=O)[O-])O
|
|
|
26
|
Cc1cc(c(nn1)N)C(=O)N
|
|
|
27
|
C[C@@H](c1cccnc1)C(=O)[O-]
|
|
|
28
|
c1c(c(n[nH]c1=O)[O-])CC(=O)[O-]
|
|
|
29
|
c1c(c(n[nH]1)n2cnnc2)C(=O)[O-]
|
|
|
30
|
Cc1cc(n2c(n1)nnn2)[O-]
|
|
|
31
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
32
|
c1c([nH]nn1)SCC(=O)N
|
|
|
33
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
34
|
c1(c(n[nH]n1)C(=O)[O-])C(=O)[O-]
|
|
|
35
|
CN1CNC(=O)c2c1n[nH]n2
|
|
|
36
|
c1cncc(c1Sc2nnns2)S(=O)(=O)N
|
|
|
37
|
CC(C)(C(=O)[O-])n1cncn1
|
|
|
38
|
c1c(nc2nncn2c1[O-])[O-]
|
|
|
39
|
C[C@@H](C[S@@](=O)[O-])C(=O)[O-]
|
|
|
40
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
41
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
|
42
|
CS(=O)(=O)[N-]c1nncs1
|
|
|
43
|
c1(c(non1)N)c2nnc(o2)N
|
|
|
44
|
C(#N)c1c(non1)Oc2c(non2)C#N
|
|
|
45
|
|
|
|
46
|
c1ccc(c(c1)C(=O)[O-])[n+]2cc(on2)[O-]
|
|
|
47
|
c1c(cnc2c1non2)Br
|
|
|
48
|
c1cc(oc1)c2c(ncs2)C(=O)[O-]
|
|
|
49
|
CN(C)c1nnnn1c2ncccn2
|
|
|
50
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
|
51
|
C1=CC2=CC(=O)O[C@@H]2[C@@H]([C@@H]1O)O
|
|
|
52
|
c1c(cnnc1[O-])C(F)(F)F
|
|
|
53
|
COc1c2c([nH]n1)nncn2
|
|
|
54
|
COC(=O)NS(=O)(=O)C1CCCO1
|
|
|
55
|
Cc1nc(no1)CSc2nncs2
|
|
|
56
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
|
57
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
|
58
|
c1nc2nc(nc(n2n1)N)[O-]
|
|
|
59
|
CCc1c(cccn1)C(=O)[O-]
|
|
|
60
|
c1cc(nc2c1n[n-]n2)Cl
|
|
|
61
|
C1CCn2c(nnn2)[C@@H](C1)C(=O)[O-]
|
|
|
62
|
c1cc(cnc1)CS(=O)(=O)N
|
|
|
63
|
c12c([nH]c(=O)nc1onn2)[O-]
|
|
|
64
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
65
|
CC1NC2C(NCNC2NN1)N
|
|
|
66
|
c1c2n(nn1)CCn3c(cnn3)S2
|
|
|
67
|
c1cc(sc1)C(=O)n2cccn2
|
|
|
68
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
|
69
|
c1(c(non1)C(=O)[O-])c2c(non2)C(=O)[O-]
|
|
|
70
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
71
|
|
|
|
72
|
C(CS(=O)(=O)[O-])C1[N-]NNN1
|
|
|
73
|
[H]/[O+]=C(/C)N=c/ccc(nn1[O-])Cl
|
|
|
74
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
|
75
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
|
76
|
c1cc(oc1)CNc2[n-]nnn2
|
|
|
77
|
c1cc2c(c(c1)S(=O)(=O)N)non2
|
|
|
78
|
|
|
|
79
|
c1conc1c2c(nco2)C(=O)[O-]
|
|
|
80
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
81
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
82
|
c1cnc2c(n1)C(=O)NCN2
|
|
|
83
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
|
84
|
c1ccnc(c1)[S@@](=O)c2cncs2
|
|
|
85
|
c1csc(c1n2cnnn2)C(=O)[O-]
|
|
|
86
|
c1cc(cnc1)C(=O)c2ccco2
|
|
|
87
|
Cc1cc(no1)c2nnc(o2)N
|
|
|
88
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
89
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
|
90
|
Cn1c2c([nH]c1=O)nncn2
|
|
|
91
|
CN1C2C(CN1)C(NNN2)[O-]
|
|
|
92
|
C1[C@@H]2N(C1=O)[C@@H](/C(=C/CO)/O2)C(=O)[O-]
|
|
|
93
|
c1cnc(nc1)Sc2cnnc(c2Cl)[O-]
|
|
|
94
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
|
95
|
Cc1c(nn2c(n1)nnn2)C
|
|
|
96
|
Cc1c(nc2c(n1)non2)[O-]
|
|
|
97
|
CCOC(=O)C1=C(CCCC1)S(=O)(=O)[O-]
|
|
|
98
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
|
99
|
c1c(c2c(nc[nH]2)nn1)Cl
|
|
|
100
|
c1ccn(c(=O)c1)OCC(=O)[O-]
|
|
|
101
|
c1cn(c(=O)c(=O)[nH]1)CCC(=O)[O-]
|
|
|
102
|
Cc1c(non1)c2[n-]nnn2
|
|
|
103
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
|
104
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
105
|
c1nc([nH]n1)c2c(non2)N
|
|
|
106
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
107
|
Cc1c2c(c(nnn2)[O-])n[nH]1
|
|
|
108
|
Cc1n[nH]c(=O)n1Cn2c(n[nH]c2=O)C
|
|
|
109
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
|
110
|
Cc1cc(n2c(n1)ncn2)[O-]
|
|
|
111
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
112
|
Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O
|
|
|
113
|
c1cc2c(nc1)[C@@H](O[C@@H]2O)O
|
|
|
114
|
Cc1c(cn(n1)C)S(=O)(=O)n2cccn2
|
|
|
115
|
c1ncn(n1)CCn2cncn2
|
|
|
116
|
c1cc(oc1)CNc2nnns2
|
|
|
117
|
CC1=Nn2c(nnc2N=C(C1)O)N
|
|
|
118
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
|
119
|
c1ccn(c1)c2[n-]c(nn2)C(=O)[O-]
|
|
|
120
|
|
|
|
121
|
Cc1cc(no1)CSc2ccccn2
|
|
|
122
|
Cc1cc(on1)c2c(nco2)C(=O)[O-]
|
|
|
123
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
124
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
|
125
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
|
126
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
127
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
128
|
CC1=CO[C@@](CC1)(C)C(=O)[O-]
|
|
|
129
|
COc1ccc2c(c1)C[C@@H]2O
|
|
|
130
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
|
131
|
c1cnoc1c2nnc(o2)N
|
|
|
132
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
|
133
|
Cc1cc(=O)oc2c1c(n[nH]2)C
|
|
|
134
|
CCOC(=O)c1cccnn1
|
|
|
135
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
136
|
CC1CCC2C(N1)C(=O)NC[NH]2
|
|
|
137
|
Cc1nc(no1)c2ncon2
|
|
|
138
|
CC(=O)/N=c/c(nn(s1)C(=O)C)C(=O)N
|
|
|
139
|
Cc1c2cnnc(c2c([nH]1)C)[O-]
|
|
|
140
|
c1ccc(cc1)C(=O)C(O)O
|
|
|
141
|
C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)N)O)O)O
|
|
|
142
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
143
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
|
144
|
CC1=CC(=Nn2c(nnn2)N1)C
|
|
|
145
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
|
146
|
Cc1cc2n(n1)C(=O)CC(=O)C2
|
|
|
147
|
c1ccc2c(c1)N=C([C@@H](O2)CC(=O)[O-])O
|
|
|
148
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
149
|
C1CNNCC1CCC(=O)[O-]
|
|
|
150
|
CC(=O)Nn1c2ccccc2nn1
|
|
|
151
|
Cc1c2c(c(nn1)[O-])n[nH]n2
|
|
|
152
|
c1ccc(cc1)C2(C(=O)NC(=N2)O)c3ccccc3
|
|
|
153
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
|
154
|
Cc1ncc2c(n1)NC(=O)NC2
|
|
|
155
|
Cc1c2c(nc(n1)N)OCC2
|
|
|
156
|
Cc1c(nn2c(=O)c(nnc2n1)C)[O-]
|
|
|
157
|
c1c(nc2cnnn2c1[O-])[O-]
|
|
|
158
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
159
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
160
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
|
161
|
CC1(COC(=O)C(=C1C(=O)[O-])C(=O)[O-])C
|
|
|
162
|
c1cncc2c1c(cc(=O)o2)[O-]
|
|
|
163
|
c1cc(c2c(c1)non2)CO
|
|
|
164
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
|
165
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
|
166
|
Cc1c(c(sn1)C(=O)[O-])N
|
|
|
167
|
Cc1cc(no1)CSc2nncs2
|
|
|
168
|
c1cc2c(=O)[nH]nc(n2c1)[O-]
|
|
|
169
|
c12c(non1)N[C@@H]3[C@@H](N2)NC(=O)N3
|
|
|
170
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
|
171
|
CC(C)c1nnc(o1)C(=O)[O-]
|
|
|
172
|
C1CC(C1)c2nc(no2)CO
|
|
|
173
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
|
174
|
c12c(nnnc1snn2)O
|
|
|
175
|
c1ccc2c(c1)c3c(c(=O)o2)n[nH]n3
|
|
|
176
|
c1cc(oc1)C(=O)c2cccs2
|
|
|
177
|
C1CNc2nc(nn2C1)C(=O)[O-]
|
|
|
178
|
CCC(=O)Oc1csnn1
|
|
|
179
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
|
180
|
|
|
|
181
|
CNc1cnnc2c1cccc2
|
|
|
182
|
C=CCNC1CCNC(N1)N
|
|
|
183
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
|
184
|
c1cc(c2nncn2c1)Cl
|
|
|
185
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
186
|
c1ccn2cc(nc2c1)CC#N
|
|
|
187
|
CC(C)c1nc([nH]n1)CC#N
|
|
|
188
|
CSc1c2ccccc2nnn1
|
|
|
189
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
190
|
C/C(=C/C(=O)[O-])/C(F)(F)F
|
|
|
191
|
Cc1cnc(o1)Cn2cccn2
|
|
|
192
|
c1c2cc(nc(c2c(nc1O)O)O)O
|
|
|
193
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
194
|
C1CCC(CC1)N2CNc3nnnn3C2
|
|
|
195
|
c1cn2cc(nc2cn1)C(=O)[O-]
|
|
|
196
|
C(C#N)c1nc(nc(n1)N)N
|
|
|
197
|
COc1c2cn[nH]c2ncn1
|
|
|
198
|
c1c2c(cc3c1OCO3)nn[nH]2
|
|
|
199
|
C1C=Nc2c1c(=O)[nH]c(=O)[nH]2
|
|
|
200
|
c1cc2c(nc1)onc2Cl
|
|
|
201
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
|
202
|
C=CCOc1cccnc1N
|
|
|
203
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
|
204
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
|
205
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
|
206
|
c1nc(c(n1Cc2n[n-]nn2)Cl)Cl
|
|
|
207
|
C1[NH+]=C2C(=N1)Nc3c(non3)N2
|
|
|
208
|
|
|
|
209
|
C1[C@@H](N2C=CC=NC2=NC1=O)C(=O)[O-]
|
|
|
210
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
|
211
|
c1cc(oc1)CSc2nccs2
|
|
|
212
|
c1(nnnn1O)c2nnnn2O
|
|
|
213
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
214
|
CCn1c(ccn1)C(=O)n2ccnc2C
|
|
|
215
|
C1Cc2nnc(n2C1)C(=O)[O-]
|
|
|
216
|
CCOC(=O)CNC1=c2ccccc2=[S@@](=O)(N=N1)O
|
|
|
217
|
Cc1nnn(n1)Cc2nnnn2C
|
|
|
218
|
c1ccc2c(c1)c3n(c(=O)n2)CC(=O)N3
|
|
|
219
|
CSC1C2C(CCN1)N[NH]N2
|
|
|
220
|
c1([n-]nnn1)Nc2[n-]nnn2
|
|
|
221
|
c1c[nH]c(=O)c2c1oc(=O)c(c2)N
|
|
|
222
|
C=CCOC1CCNC(N1)N
|
|
|
223
|
C[C@@]1(C(=O)N=C2N1C=CC=C2)CC(=O)[O-]
|
|
|
224
|
CN1C(=O)CC=C1CC(=O)OC
|
|
|
225
|
c1ccc(cc1)[C@H](C(=O)[C@H]2C=CC=N2)O
|
|
|
226
|
CC(C)Nc1n[nH]c(=O)n1C(C)C
|
|
|
227
|
C1(=NS(=O)(=O)N=C1C(=O)[O-])C(=O)[O-]
|
|
|
228
|
c1ccc2c(c1)nnn2CF
|
|
|
229
|
|
|
|
230
|
CC(=O)c1n[nH]c2n1ncc2
|
|
|
231
|
c1cc(c2c(c1)[nH]c(=O)o2)N
|
|
|
232
|
C/C(=N/c1nnc2n1NC(=C)C=C([NH2+]2)[O-])/O
|
|
|
233
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
234
|
CC1NCC2C(N1)C(NC(N2)N)[O-]
|
|
|
235
|
c1nc(nn1CC(=O)N)C#N
|
|
|
236
|
|
|
|
237
|
C1CCN(C1)S(=O)(=O)c2c(nc(nn2)[O-])[O-]
|
|
|
238
|
CCCCCCC1CN[NH]N1
|
|
|
239
|
CC1CC(=O)CC(O1)C(=O)[O-]
|
|
|
240
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
|
241
|
C1CC2C(C(N[NH]C2=O)[O-])C1
|
|
|
242
|
CCOc1nc(nc(n1)N)C
|
|
|
243
|
C(CS(=O)(=O)N)NC(=O)N
|
|
|
244
|
c1cnc(=O)n2c1SCC2=O
|
|
|
245
|
Cc1nc(on1)c2c(non2)N
|
|
|
246
|
c1cc2c(c(c1)S(=O)(=O)[O-])nn[nH]2
|
|
|
247
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
|
248
|
CN1NC(NN1)C2[N-]NNN2
|
|
|
249
|
c1c(nc2c(n1)c(ncn2)[O-])[O-]
|
|
|
250
|
c1cc(oc1)C(=O)c2nccs2
|
|
|
251
|
c1cc(oc1)S(=O)(=O)N2CCOCC2
|
|
|
252
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
253
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
254
|
C1NC2C(C(N1)[O-])NC(NN2)[O-]
|
|
|
255
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
|
256
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
|
257
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
258
|
CC1=CC(=O)O[C@@H]1CC(=O)[O-]
|
|
|
259
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
|
260
|
C1CS(=O)(=O)N[C@@H]1C(=O)[O-]
|
|
|
261
|
c1coc2c1cc(cc2O)F
|
|
|
262
|
Cc1c(c(on1)C)CCC#N
|
|
|
263
|
c1ccc2c(c1)C(=O)N[C@@]2(c3[nH]ccn3)O
|
|
|
264
|
Cn1cc(nc1)S(=O)(=O)N
|
|
|
265
|
C1NC(C2N1CCC(=O)N2)C(=O)N
|
|
|
266
|
c1nnc(s1)SCC#N
|
|
|
267
|
c1cc2c(c(cs2)N)nc1
|
|
|
268
|
[H]/N=c/n([nH+]c(s1)C)CC(=O)[O-]
|
|
|
269
|
CCOC(=O)C1=NCc2c1cccc2
|
|
|
270
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
271
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
|
272
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
273
|
CC1CCC(CC1)S(=O)(=O)C2CN[NH]N2
|
|
|
274
|
Cn1cnc2c1ccnc2C(=O)NCC(=O)[O-]
|
|
|
275
|
C=CCc1cc2nccn2cn1
|
|
|
276
|
c1nc2n(n1)[C@@H](C(=O)N2)CC(=O)[O-]
|
|
|
277
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
278
|
c1[nH]c2c(n1)c(nnc2N)N
|
|
|
279
|
C1CCC2C(C1)CC=N[C@@H]2CC(=O)[O-]
|
|
|
280
|
CN1C=C[C@@H]2[C@@H](C[C@@H]2C1=O)C#N
|
|
|
281
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
|
282
|
c1cnsc1C(=O)N2CC(C2)F
|
|
|
283
|
C[C@@H]([C@H]1[C@@H](NC1=O)OC(=O)C)O
|
|
|
284
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
|
285
|
Cc1c(oc(n1)SCC(=O)[O-])C
|
|
|
286
|
C1(=O)[NH]C(=O)N2N1[C@@H](NC2=O)O
|
|
|
287
|
Cc1c2cc(ccc2[nH]n1)F
|
|
|
288
|
CN(C)C(=O)Nc1[n-]nnn1
|
|
|
289
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
|
290
|
C[C@@H]1[C@@H]([C@H]([C@@H](C(=N1)CO)O)O)O
|
|
|
291
|
c1cc(sc1)c2[n-]nnn2
|
|
|
292
|
CN(CCO)c1cnccn1
|
|
|
293
|
C=CC[C@@H]1C(=NC(=NC1=O)N)O
|
|
|
294
|
c1ccc(cc1)OCc2nnco2
|
|
|
295
|
Cc1c(c(c2n1CCS2)C(=O)[O-])C(=O)[O-]
|
|
|
296
|
C=CCNC(=O)c1ccco1
|
|
|
297
|
c1ccc(cc1)c2c([nH]c(=O)[nH]2)C(=O)[O-]
|
|
|
298
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
299
|
|
|
|
300
|
c1c2c(n[nH]c1=O)CCCC2
|
|
|
301
|
CC1=C([C@@H](N2C(=N1)N=CN2)c3ccccc3)C(=O)N
|
|
|
302
|
C1[C@@H]([C@H](O[C@H]1[C@@H]2C=CC=NC2=O)CO)O
|
|
|
303
|
c1ccc(cc1)CC2=C(C=NC(=O)C2)C(=O)N
|
|
|
304
|
COC(=O)/C=c/c(=O)n2c(s1)ncn2
|
|
|
305
|
CN1CC=NC2C1NC([NH]C2=O)N
|
|
|
306
|
CCNC(=O)[C@@H](C)n1cnnc1C#N
|
|
|
307
|
C1CCn2c(nnc2CC#N)C1
|
|
|
308
|
c1cnc2c(n1)c(nnc2[O-])[O-]
|
|
|
309
|
c1(nnc(s1)S(=O)(=O)[NH-])N
|
|
|
310
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
|
311
|
CC1(C(=O)N(C(=N1)O)CC(=O)[O-])C
|
|
|
312
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
|
313
|
c1(nnc(o1)[O-])C(F)(F)F
|
|
|
314
|
c1cc(sc1)c2c[nH]nc2
|
|
|
315
|
c1cc2c(nc1)n(nn2)[O+]=C(N)N
|
|
|
316
|
CCOC(=O)c1nc(on1)C
|
|
|
317
|
CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)[O-]
|
|
|
318
|
c1cc2ccn(c2nc1)CC(=O)[O-]
|
|
|
319
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
320
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
321
|
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)NC(=O)C)O
|
|
|
322
|
Cc1nc2nncn2c(n1)[O-]
|
|
|
323
|
C1COC(N1)NC2CCCCC2
|
|
|
324
|
c1ccc(cc1)Nn2cncn2
|
|
|
325
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
|
326
|
Cn1c(nnn1)Sc2ccncc2S(=O)(=O)N
|
|
|
327
|
c1nc-2c3nc(on3cnc2n1)[O-]
|
|
|
328
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
329
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
330
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
|
331
|
CCCCCS(=O)(=O)N
|
|
|
332
|
c1[nH]c(c(n1)C(=O)[O-])C(=O)[O-]
|
|
|
333
|
c1cn(cn1)c2cc(=O)[nH]c(n2)N
|
|
|
334
|
C([C@@H](CO)O)N1C(=O)SC(N1)N
|
|
|
335
|
CC(=O)n1ccc(n1)C(=O)[O-]
|
|
|
336
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
337
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
|
338
|
c1c(sc(n1)Cl)S(=O)(=O)N
|
|
|
339
|
CC(C)n1cc(cn1)C(=O)C
|
|
|
340
|
c1ccc(cc1)CNn2cnnn2
|
|
|
341
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
|
342
|
CSc1[nH]c(=O)c2c(n1)CCS2
|
|
|
343
|
c1ccnc(c1)CS(=O)(=O)[O-]
|
|
|
344
|
CC1=NS(=O)(=O)c2ccccc2N1
|
|
|
345
|
Cn1c(ccn1)c2nnc(o2)N
|
|
|
346
|
c1c(csn1)S(=O)(=O)N
|
|
|
347
|
c1ccc(cc1)Oc2c(non2)N
|
|
|
348
|
CNc1c(ncnn1)C(=O)[O-]
|
|
|
349
|
Cc1coc2c1c(=O)[nH]cn2
|
|
|
350
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
|
351
|
c1ccc(cc1)[C@@]2(c3cnncc3C(=O)N2)O
|
|
|
352
|
c1nncn1c2[n-]c(nn2)N
|
|
|
353
|
CN1[C@@H]2[C@@H](C(=NC1=O)[O-])N=C(N2)Cl
|
|
|
354
|
c1cnc2c(n1)c(cs2)N
|
|
|
355
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
356
|
c1c(c(n2c(n1)ncn2)[O-])n3cncn3
|
|
|
357
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
|
358
|
CC1NC(ON1)C2CNCCN2
|
|
|
359
|
Cc1c(non1)c2ccn[nH]2
|
|
|
360
|
C1CCC(CC1)c2[n-]nnn2
|
|
|
361
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
362
|
C1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](N2S(=O)(=O)N1)O)O)O)O
|
|
|
363
|
C1(=NS(=O)(=O)N=C1O)O
|
|
|
364
|
CN(C)c1nc(=O)n2c(n1)SCC2
|
|
|
365
|
Cn1c(=O)c2ccccc2nn1
|
|
|
366
|
c1cc(oc1)CNn2cnnc2
|
|
|
367
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
368
|
c1ccc2c(c1)CNS2(=O)=O
|
|
|
369
|
COC1CCC2C(C1)C(=O)N3CCO[C@@H]3[C@@H]2C(=O)[O-]
|
|
|
370
|
c1ncn(n1)Cn2cncn2
|
|
|
371
|
C1NC([NH]N1)NC2=NCCO2
|
|
|
372
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
|
373
|
Cc1nnc(o1)Nc2ccccc2
|
|
|
374
|
C1C[C@@H](OC1)C(=O)NC2CC2
|
|
|
375
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
|
376
|
c1c([nH]c(=O)[nH]c1=O)c2[n-]nnn2
|
|
|
377
|
CN1CCC2NNCN2C1=O
|
|
|
378
|
CCNC(=O)Oc1c2ccccc2on1
|
|
|
379
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
380
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
381
|
c1cn(cn1)[C@@H]2CC([C@@H]3OC[C@H]2O3)(O)O
|
|
|
382
|
CN(C)c1nnc(o1)CC#N
|
|
|
383
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
|
384
|
CCOc1c(c([nH]n1)N)C#N
|
|
|
385
|
CC(C)(C)N1C(=O)NCS1(=O)=O
|
|
|
386
|
c1c(c2ncnc(n2n1)[O-])C#N
|
|
|
387
|
CC(=O)c1coc(cc1=O)O
|
|
|
388
|
Cc1nnc(n1N)Sc2nccc(n2)OC
|
|
|
389
|
c1c(non1)c2c(non2)N
|
|
|
390
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
|
391
|
COc1cc(n[nH]c1=O)Cl
|
|
|
392
|
CCOC(=O)c1nccnn1
|
|
|
393
|
CCC(=O)Cc1cnccn1
|
|
|
394
|
c1cc2c3ccnn3nnc2cc1Cl
|
|
|
395
|
c1ccn2c(c1)nn(c2=O)CC#N
|
|
|
396
|
CNC(=O)NCNC(=O)NC
|
|
|
397
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
398
|
CNc1nnc(s1)c2cnccn2
|
|
|
399
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
|
400
|
c1c(cn[nH]1)I
|
|
|
401
|
COC(=O)c1c(non1)n2cccc2
|
|
|
402
|
C1CCN(C1)S(=O)(=O)N
|
|
|
403
|
c1c(c(on1)C2CC2)C(=O)[O-]
|
|
|
404
|
CC1=Nc2c(non2)N=C(C1)C
|
|
|
405
|
c1cc(c(nc1)n2cncn2)N
|
|
|
406
|
Cc1c(c(c([nH]1)C)C(=O)[O-])c2nnc(o2)C
|
|
|
407
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
|
408
|
c1cc(ccc1[C@@H]2[C@]3([C@@]2(C(=O)N=C3[O-])C#N)C#N)F
|
|
|
409
|
COC(=O)[C@@H]1CC2CNCN2C(=O)N1
|
|
|
410
|
c1(c(sc(=O)s1)C(=O)N)C(=O)N
|
|
|
411
|
c1ccnc(c1)C#CCN2CCCCC2
|
|
|
412
|
c1cc(sc1)C(=O)c2[nH]ccn2
|
|
|
413
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
414
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
|
415
|
c1ccc(c(c1)C(=O)c2cnoc2)O
|
|
|
416
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C(=O)[NH]C(=O)O2)O)O)O
|
|
|
417
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
418
|
c1nc(c2c(ncn2n1)C#N)[O-]
|
|
|
419
|
[H]/N=c/n(ccs1)CC(=O)[O-]
|
|
|
420
|
COc1c2cc[nH]c2[nH]c(=O)n1
|
|
|
421
|
c1nnc2n1NC(=O)CS2
|
|
|
422
|
c1ccc(cc1)S(=O)(=O)Nc2[n-]cnn2
|
|
|
423
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
424
|
c1cc(oc1)[C@@H]2C[C@@H]2C(=O)[O-]
|
|
|
425
|
CCOC(=O)C[C@@H](CF)O
|
|
|
426
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
|
427
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
428
|
CC1=C([C@@H](n2c(ncn2)N1)c3ccoc3)C(=O)N
|
|
|
429
|
C1[C@@]2([C@]1(C(=O)N=C2N)C#N)C#N
|
|
|
430
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
431
|
CCOC(=O)c1c([nH]c(=O)[nH]1)C
|
|
|
432
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
|
433
|
c1ccc2c(c1)nnn2c3nnns3
|
|
|
434
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
435
|
CC(C)(C)c1cnnc(n1)N
|
|
|
436
|
c1cc2c(c(c1N)N)non2
|
|
|
437
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
|
438
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
|
439
|
CCOC(=O)[C@@H](C#N)C1=NCCC1
|
|
|
440
|
Cc1c(non1)c2ccnc3n2c(nn3)N
|
|
|
441
|
c1cnc(c(n1)C(=O)[C@@H]2CCOC2)Cl
|
|
|
442
|
c1cc2c(nc1)OCC(=O)N2
|
|
|
443
|
CC(=O)N(C)c1cccnc1
|
|
|
444
|
C1Cn2c(nnc2SC1)N
|
|
|
445
|
Cc1c(=O)n2ccccc2nn1
|
|
|
446
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
|
447
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
|
448
|
C1CCC2C(C1)C(=CN=CO2)O
|
|
|
449
|
C1CCN(C1)c2c(non2)[O-]
|
|
|
450
|
c1cc(oc1C(=O)[O-])S(=O)(=O)[O-]
|
|
|
451
|
C1=N[C@@H]2C(=N1)N=C(N=C2Cl)N
|
|
|
452
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
|
453
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
454
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
|
455
|
c1ccc2c(c1)C(=O)N=[S@]2(=O)O
|
|
|
456
|
CCOC(=O)N1CC[C@@H](C=C1)O
|
|
|
457
|
C1CCC2C(C1)C(NO2)C[S@@](=N)(=O)[O-]
|
|
|
458
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
459
|
|
|
|
460
|
c1ccc(cc1)c2c(non2)/N=c/3c(nss3)Cl
|
|
|
461
|
C1=C[C@@]2([C@@H]3[C@@H]([C@H]1O2)C(=NC3=O)[O-])CO
|
|
|
462
|
CCS(=O)(=O)NCCn1cccn1
|
|
|
463
|
c1cc(oc1)c2c(n[n-]n2)C#N
|
|
|
464
|
|
|
|
465
|
Cc1c2c(ncnc2on1)N
|
|
|
466
|
C1NC2C(C(N1)N)NCNC2N
|
|
|
467
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
|
468
|
C1CC1NC(=O)C2(CC2)C#N
|
|
|
469
|
CCO[C@@H](C=C)n1cncn1
|
|
|
470
|
CCOC(=O)N[C@@H]1[C@@H]2CC(=O)[C@H]([C@@H]1OC)O2
|
|
|
471
|
c1ccc(cc1)OCc2[n-]nnn2
|
|
|
472
|
C[C@@H]1[C@@H](Nn2c(nnn2)N1)C
|
|
|
473
|
CC(=O)[C@@H](C1CCCCC1)O
|
|
|
474
|
C1CC2C(NC1)CC[C@@H](O2)O
|
|
|
475
|
CCc1cnnn1c2c(non2)N
|
|
|
476
|
c1c(nc(cn1)Cl)n2cncn2
|
|
|
477
|
Cn1cc(cn1)S(=O)(=O)N
|
|
|
478
|
C(C[C@@H]([C@@H](CO)O)O)CO
|
|
|
479
|
CCO/C(=C/C1=NC(=O)[C@@](C1)(C(F)(F)F)[O-])/[O-]
|
|
|
480
|
c1ccc2c(c1)c(ncn2)n3cncn3
|
|
|
481
|
CCNC(=O)Cn1ccnc1
|
|
|
482
|
|
|
|
483
|
c1nc2c(c(n1)O)nnc(n2)N
|
|
|
484
|
C(#N)c1c(c2c(nc1N)non2)N
|
|
|
485
|
c1[nH]c2c(n1)NC(=O)CNC2=O
|
|
|
486
|
c1c(snn1)N2CCOCC2
|
|
|
487
|
c1cn(cn1)C(=O)OCC#N
|
|
|
488
|
CC1(OC(=C(O1)C(=O)N)C(=O)N)C
|
|
|
489
|
CS(=O)(=O)NC[C@@H]1CCCO1
|
|
|
490
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
491
|
c1c(c2c([nH]c1=O)CCC2)[O-]
|
|
|
492
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
493
|
c1cc(n2c1c(ncn2)N)Br
|
|
|
494
|
Cc1c(cccn1)C2=NCCC2
|
|
|
495
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
|
496
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
497
|
c1ccnc(c1)SCc2[n-]nnn2
|
|
|
498
|
|
|
|
499
|
Cc1c(nnn1c2nccs2)C(=O)[O-]
|
|
|
500
|
c1cc(oc1)C(=O)/C=C/2C(=O)NCCN2
|
|
|
501
|
CSC1=NNC2=NCCCN21
|
|
|
502
|
CC(C)(C(=O)[O-])n1cnnn1
|
|
|
503
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
|
504
|
c1cc(sc1)CC(=O)n2cnnc2
|
|
|
505
|
CCOC(=O)/N=c/1ccccn1[O-]
|
|
|
506
|
CCOC(=O)C1=NOC(=O)[C@H]1C
|
|
|
507
|
Cc1nc2ccccc2c(=O)o1
|
|
|
508
|
c1c2c(n[nH]c1=O)CCOC2
|
|
|
509
|
COC1NC2CCCCC2NN1
|
|
|
510
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
|
511
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
512
|
c1ccc2c(c1)C=CS2(=O)=O
|
|
|
513
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
514
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
|
515
|
Cn1cnnc1SCC#C
|
|
|
516
|
c1cc(cc(c1)N)CC(=O)[O-]
|
|
|
517
|
C1COCCN1C(=O)CC#N
|
|
|
518
|
c1cc2c(cc1O)COC2=O
|
|
|
519
|
COC1(c2c(non2)CC[C@@H]1O)OC
|
|
|
520
|
c1c2c(cnc1Cl)CCN2
|
|
|
521
|
C1C2C(NCN1)SC=C(N2)O
|
|
|
522
|
C1CC1C(=CC(=O)[O-])C2CC2
|
|
|
523
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
524
|
C1COCCN1c2nnc(o2)N
|
|
|
525
|
c1c[nH]n2c1nc(c2)C(=O)[O-]
|
|
|
526
|
CC1=C(CCOC1)CC(=O)N
|
|
|
527
|
C1CN[C@@](C(=O)N1)(C(F)(F)F)O
|
|
|
528
|
c1ncn(n1)C(=O)NC2CCCCC2
|
|
|
529
|
C1COCCN1c2[n-]nnn2
|
|
|
530
|
Cc1[n-]nc(n1)C(F)(F)F
|
|
|
531
|
c1cc([nH]c1)C(=O)c2ccc[nH]2
|
|
|
532
|
c12c(c(n[nH]c1=O)[O-])non2
|
|
|
533
|
COC1=C[C@@H]([C@@](C=C1OC)(c2ncccn2)OC)C(=O)N
|
|
|
534
|
C=C=CCC(=O)N1CCCC1
|
|
|
535
|
c1ccc(cc1)S(=O)(=O)Nc2ccon2
|
|
|
536
|
c1cc2c(c(c1)O)nnn2[O-]
|
|
|
537
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
|
538
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
539
|
c1cc(oc1)c2c[nH]c(=O)nc2N
|
|
|
540
|
c1ccc(cc1)Cc2nnco2
|
|
|
541
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
|
542
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
543
|
C1C=C2C(=CC(=O)O2)[C@@H](O1)O
|
|
|
544
|
c1cc2c(c3c1non3)nns2
|
|
|
545
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
|
546
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
|
547
|
C1CC(=C(N[C@@H]1C(F)(F)F)[O-])C(=O)[O-]
|
|
|
548
|
c1ccc2c(c1)nnn2c3ccco3
|
|
|
549
|
[H]/N=c/1onc(s1)c2c(non2)N
|
|
|
550
|
CC1NC(C(NN1)C(=O)N)[O-]
|
|
|
551
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
|
552
|
|
|
|
553
|
CC1=C[C@@H]2c3c(non3)C=CC2=N1
|
|
|
554
|
[C@H]12[C@H]([C@@H]1C(=O)[O-])C(=O)N=C2[O-]
|
|
|
555
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
|
556
|
CCn1c(ccn1)SCC(=O)[O-]
|
|
|
557
|
CC1(COC(=O)[C@@H]1OC(=O)C#C)C
|
|
|
558
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
|
559
|
c1ccc2c(c1)NS(=O)(=O)N2
|
|
|
560
|
c1csc(n1)C(=O)CC#N
|
|
|
561
|
CCOC(=O)CN1CCC(=CC1)C
|
|
|
562
|
Cc1cc(no1)CSc2nc(c(o2)C)C
|
|
|
563
|
CCOC(=O)C1=C(N=CC[C@@H]1C)C
|
|
|
564
|
CC1CCC(N1N2C(NNN2)N)C
|
|
|
565
|
CC1=C(CC(=O)N1)C(=O)OC
|
|
|
566
|
CC(=O)NCCn1cccn1
|
|
|
567
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
|
568
|
CSc1nc2ncnn2c(n1)[O-]
|
|
|
569
|
|
|
|
570
|
c1ccc2c(c1)nn(n2)CC#N
|
|
|
571
|
CS(=O)(=O)Nn1cnnc1
|
|