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Virtual screening for IDP 3R23 - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1c([nH]nn1)SCC(=O)N
|
|
|
2
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
|
3
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
4
|
|
|
|
5
|
c1(nnc(o1)[O-])C(F)(F)F
|
|
|
6
|
c1c2c(co1)[nH]c(=O)c(=O)[nH]2
|
|
|
7
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
8
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
|
9
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
|
10
|
COc1c2c([nH]n1)nncn2
|
|
|
11
|
c1ccc(cc1)Cn2c(=O)[nH]c(=O)cn2
|
|
|
12
|
c1c2c([nH]c1C(=O)[O-])nco2
|
|
|
13
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
|
14
|
COC(=O)CCc1c[nH]cn1
|
|
|
15
|
Cc1c(nn2c(n1)nnn2)C
|
|
|
16
|
c1coc2c1[nH]c(c2)C(=O)[O-]
|
|
|
17
|
c1ccnc(c1)NC(=O)c2[n-]nnn2
|
|
|
18
|
C[C@@H]1Cc2c(cn[nH]2)C(=O)C1
|
|
|
19
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
|
20
|
c1ccc(cc1)c2cnc3c(n2)non3
|
|
|
21
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
|
22
|
c1nc-2[nH]c(c(nc2n1)N)[O-]
|
|
|
23
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
24
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
25
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
|
26
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
27
|
CC12C(NC(=O)N1)NC(=O)N2
|
|
|
28
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
|
29
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
30
|
CC(=O)Oc1ccc(nn1)[O-]
|
|
|
31
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
|
32
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
33
|
CC(=O)Nc1ccc(o1)C(=O)[O-]
|
|
|
34
|
CCNC(=O)n1c(nnn1)N
|
|
|
35
|
CN1NC(NN1)C2[N-]NNN2
|
|
|
36
|
c1cc(nnc1n2cncn2)[O-]
|
|
|
37
|
c1con2c1nc(c2)C(=O)[O-]
|
|
|
38
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
|
39
|
c1cc(nc2c1n[n-]n2)Cl
|
|
|
40
|
c1cc(nn2c1nnn2)n3ccnc3
|
|
|
41
|
Cc1c(nc2c(n1)non2)[O-]
|
|
|
42
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
43
|
c1cc(sc1)c2c[nH]nc2
|
|
|
44
|
c1c(nnn1CC(=O)[O-])CO
|
|
|
45
|
C[C@@H]1[C@@H](Nn2c(nnn2)N1)C
|
|
|
46
|
Cc1c(n(ccc1=O)CCc2c[nH]cn2)C
|
|
|
47
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
48
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
|
49
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
|
50
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
51
|
C1CC(C1)c2nc(no2)CO
|
|
|
52
|
CN1CNC(=O)c2c1n[nH]n2
|
|
|
53
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
54
|
c1ccc(cc1)NCC(=O)[O-]
|
|
|
55
|
Cc1ccc(cc1)c2cn[nH]n2
|
|
|
56
|
c1ccc(cc1)/C=C/2NC(=O)C(=O)O2
|
|
|
57
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
58
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
59
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
|
60
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
|
61
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
|
62
|
c1cc(oc1)CNc2[n-]nnn2
|
|
|
63
|
C=CCOC1CCNC(N1)N
|
|
|
64
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
65
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
|
66
|
c1ccc(cc1)CNn2cnnn2
|
|
|
67
|
|
|
|
68
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
69
|
c1ccc(cc1)Cn2cncn2
|
|
|
70
|
COC1NCCC(N1)SC
|
|
|
71
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
|
72
|
CC(C)(C)c1cnnc(n1)N
|
|
|
73
|
CC(C)NC(=O)CSc1nnns1
|
|
|
74
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
75
|
C1CNNCC1CCC(=O)[O-]
|
|
|
76
|
C[C@@H](Nc1nccs1)n2cncn2
|
|
|
77
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
78
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
79
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
80
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
81
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
|
82
|
C1[C@@H](NCC1(F)F)C(=O)N
|
|
|
83
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
|
84
|
c1ccc(cc1)Cn2cnnn2
|
|
|
85
|
Cc1nnc(s1)Sc2cc(nc(n2)N)Cl
|
|
|
86
|
c1ccc(cc1)C(=O)c2c(non2)N
|
|
|
87
|
CS(=O)(=O)Nn1cnnc1
|
|
|
88
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
89
|
C1CCC(CC1)c2[n-]nnn2
|
|
|
90
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
91
|
c1cc(oc1)[C@@H]2C[C@@H]2C(=O)[O-]
|
|
|
92
|
Cc1ccc(nc1)n2cnnn2
|
|
|
93
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
94
|
CC(C)(C(=O)[O-])n1cncn1
|
|
|
95
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
|
96
|
C1[NH+]=C2C(=N1)Nc3c(non3)N2
|
|
|
97
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
|
98
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
99
|
c1ccc(cc1)Cc2cnns2
|
|
|
100
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
101
|
C1CCC2(CC1)CNC(=O)O2
|
|
|
102
|
|
|
|
103
|
Cc1nc2n(n1)C(=O)C(=N2)[O-]
|
|
|
104
|
c1ncn(n1)NCNn2cncn2
|
|
|
105
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
106
|
c1ccc(cc1)COc2c(non2)N
|
|
|
107
|
C1NC([NH]N1)NC2=NCCO2
|
|
|
108
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
|
109
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
110
|
Cn1c(=O)[nH]c(=O)c(n1)C#N
|
|
|
111
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
112
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
|
113
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
114
|
Cc1[nH]c(cn1)C(F)(F)F
|
|
|
115
|
C=Cc1nc(cs1)C(=O)[O-]
|
|
|
116
|
c1c(cn[nH]1)CS(=O)(=O)N
|
|
|
117
|
CCSc1nc(ns1)[O-]
|
|
|
118
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
119
|
c1cc(oc1C(=O)[O-])S(=O)(=O)[O-]
|
|
|
120
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
|
121
|
C(CS(=O)(=O)[O-])C1[N-]NNN1
|
|
|
122
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
|
123
|
Cn1cccc1CNc2[n-]nnn2
|
|
|
124
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
|
125
|
CO[C@@H]1C=C[C@@H]([C@@H](O1)CO)O
|
|
|
126
|
c1ccnc(c1)CCSc2nncs2
|
|
|
127
|
c1cc(oc1)CNc2nnns2
|
|
|
128
|
CCn1c(ccn1)SCC(=O)[O-]
|
|
|
129
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
|
130
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
|
131
|
c1ccc-2c(c1)CCc3c2cn[nH]3
|
|
|
132
|
CN[S@@](=O)NC1CC[NH]C(=O)N1
|
|
|
133
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
134
|
CC1=C(CCOC1)CC(=O)N
|
|
|
135
|
C1[C@H]2[C@H]3CO[C@@H]([C@@]1(Nc4c(non4)N2)O)O3
|
|
|
136
|
c1ccc(cc1)[C@@H]2CC(=O)NC2
|
|
|
137
|
c1cnn(c1)CCSc2nncs2
|
|
|
138
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
139
|
CCSc1cc(ncn1)N
|
|
|
140
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
141
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
142
|
c1ccc(cc1)Oc2c(non2)N
|
|
|
143
|
[H]/N=c/n([nH+]c(s1)C)CC(=O)[O-]
|
|
|
144
|
c1c(c([nH]n1)N)C2=CCCCC2
|
|
|
145
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
146
|
C1CCC(CC1)(O)O[S@@](=O)O
|
|
|
147
|
c1nncn1NC(=O)CC#N
|
|
|
148
|
CCSc1ncnc(n1)N
|
|
|
149
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
150
|
c1nc(c(n1Cc2n[n-]nn2)Cl)Cl
|
|
|
151
|
Cc1cc(c(c(c1)C)OS(=O)(=O)n2cncn2)C
|
|
|
152
|
Cc1c(c(n(n1)Cc2[n-]nnn2)C)Br
|
|
|
153
|
Cc1nc(on1)CNS(=O)(=O)C
|
|
|
154
|
C([C@H](c1c(c(c(o1)O)[O-])O)O)O
|
|
|
155
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
|
156
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
|
157
|
c1csc2c1C(=O)N(CCC2)CC(=O)[O-]
|
|
|
158
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
159
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
160
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
161
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
|
162
|
c1cc(sc1)Cc2[n-]nnn2
|
|
|
163
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
|
164
|
CC(=O)NCc1ccccn1
|
|
|
165
|
c1c([nH]c(=O)[nH]c1=O)c2[n-]nnn2
|
|
|
166
|
|
|
|
167
|
C1C2NC(=O)NC1NC(=O)N2
|
|
|
168
|
C[C@@H](C[S@@](=O)[O-])C(=O)[O-]
|
|
|
169
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
|
170
|
c1cc(cnc1)NCc2csnn2
|
|
|
171
|
C1C[C@@]2(CC(=O)OC2)CNC1=O
|
|
|
172
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
173
|
C1CC1C(=CC(=O)[O-])C2CC2
|
|
|
174
|
C([C@@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O
|
|
|
175
|
c1ccn(c1)c2[n-]c(nn2)C(=O)[O-]
|
|
|
176
|
Cc1c2c([nH]n1)CCOC(=O)N2
|
|
|
177
|
CC(C)(C(=O)[O-])n1cnnn1
|
|
|
178
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
|
179
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
180
|
c1cc(sc1)C(=O)c2[nH]ccn2
|
|
|
181
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
182
|
c1ccn(c(=O)c1)OCC(=O)[O-]
|
|
|
183
|
CCOC(=O)Cn1nnnn1
|
|
|
184
|
c1cn(nc1CC(C(F)(F)F)(C(F)(F)F)O)C(=O)N
|
|
|
185
|
|
|
|
186
|
|
|
|
187
|
C=CCNc1cn[nH]c(=O)n1
|
|
|
188
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
189
|
c1cc(sc1)c2ccncn2
|
|
|
190
|
c1ccc2c(c1)NC3(S2)NC(=O)C(=O)C(=O)N3
|
|
|
191
|
c1nc(nn1CC(F)(F)F)N
|
|
|
192
|
c1nc(no1)c2c(non2)N
|
|
|
193
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
194
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
195
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
196
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
197
|
Cc1c(c(n[nH]1)O)C2=NCCCCC2
|
|
|
198
|
C1CC(=O)O[C@@H]1c2nc(c(o2)N)C#N
|
|
|
199
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
|
200
|
c1nc([nH]n1)c2c(non2)N
|
|
|
201
|
CCO[C@@H](C=C)n1cncn1
|
|
|
202
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
|
203
|
Cc1ccc(cc1)[C@@H]2C(=NS(=O)(=O)[N-]2)N
|
|
|
204
|
Cc1c2c(on1)CCOC(=O)N2
|
|
|
205
|
CC(=O)NCC1CNCCN1
|
|
|
206
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
207
|
CC(=O)N[C@@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1OC)CO)O)O
|
|
|
208
|
C1CCC2C(C1)[C@@H]3C[C@]2(C=C3)CO
|
|
|
209
|
c1cc2ccn(c2nc1)CC(=O)[O-]
|
|
|
210
|
CC1CCCC(N1)C2[N-]NNN2
|
|
|
211
|
CN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)NC1=O)O
|
|
|
212
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
|
213
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
|
214
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
215
|
CCOC(=O)Cc1coc(n1)C
|
|
|
216
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
217
|
Cc1ccc(cc1)c2cnon2
|
|
|
218
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
|
219
|
C1CCN(CC1)c2[n-]nnn2
|
|
|
220
|
c1ccc2c(c1)CCN(C2)c3c(non3)[O-]
|
|
|
221
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
|
222
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
|
223
|
Cc1c(non1)C(=O)[C@@H]2[C@H]3[C@@H]2C(=O)O[C@@H]3CO
|
|
|
224
|
CCOC1CCCC2N1CNN2
|
|
|
225
|
C1C2C(NNNC2[O-])N(N1)[C@@H]3CCCO3
|
|
|
226
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
227
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]nc3
|
|
|
228
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
|
229
|
C[C@@H]1NC(=C(C(=O)N1)CC(=O)[O-])C
|
|
|
230
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
231
|
c1ccc(cc1)n2c3c(cn2)c(ncn3)N
|
|
|
232
|
C([C@@H](CO)O)N1C(=O)SC(N1)N
|
|
|
233
|
c1(nnnn1O)c2nnnn2O
|
|
|
234
|
c1ccn(c1)c2c(non2)N
|
|
|
235
|
C1(=NS(=O)(=O)N=C1O)O
|
|
|
236
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
|
237
|
c1cncc2c1sc(n2)Cl
|
|
|
238
|
C[C@@H]1[C@@H]([C@H]([C@@H](C(=N1)CO)O)O)O
|
|
|
239
|
C1CCC(CC1)SC2[N-]NNN2
|
|
|
240
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
|
241
|
C[C@@H](c1cccnc1)C(=O)[O-]
|
|
|
242
|
CSc1nccc(n1)c2cnoc2
|
|
|
243
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
|
244
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
245
|
[H]/N=c/n(ccs1)CC(=O)[O-]
|
|
|
246
|
Cc1c(non1)c2ccn[nH]2
|
|
|
247
|
c1ncn(n1)Cn2cncn2
|
|
|
248
|
CS(=O)(=O)c1cnccn1
|
|
|
249
|
c1ncn(n1)Sn2cncn2
|
|
|
250
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
251
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
|
252
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
253
|
c1ccc-2c(c1)-c3c2cc(cc3)N
|
|
|
254
|
C1C=C2C(=CC(=O)O2)[C@@H](O1)O
|
|
|
255
|
C1CCC(CC1)Nc2nnns2
|
|
|
256
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
|
257
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
|
258
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
|
259
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
260
|
C1CC(=O)NC[C@@H]1C(F)(F)F
|
|
|
261
|
C(COCCOCCO)O
|
|
|
262
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
|
263
|
C1CCC(C1)c2nnc(o2)N
|
|
|
264
|
c1csc(n1)n2cnnn2
|
|
|
265
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
266
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
267
|
c1cc(oc1)CNn2cnnc2
|
|
|
268
|
C#CCSc1nn2cnnc2o1
|
|
|
269
|
CNC(=O)c1c2c(c(=O)oc1N)nns2
|
|
|
270
|
c1[nH]c(=O)c2c(n1)NC(=O)C2
|
|
|
271
|
C(CS(=O)(=O)N)NC(=O)N
|
|
|
272
|
C1C[C@@H](Cc2c1snn2)C(=O)[O-]
|
|
|
273
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
274
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
|
275
|
C1=CC2=CC(=O)O[C@@H]2[C@@H]([C@@H]1O)O
|
|
|
276
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
|
277
|
c1ccc(cc1)CNc2cnoc2
|
|
|
278
|
CC(=O)OC/C=C/c1cccnc1
|
|
|
279
|
C1CCc2c([nH]nc2O)CC1
|
|
|
280
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
281
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
282
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
|
283
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
284
|
CC(C)(C)S(=O)(=O)c1cn[nH]c1N
|
|
|
285
|
C1CCC(CC1)CC2CCC[NH]2
|
|
|
286
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
|
287
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
288
|
C/C(=C/CO)/C#CCN1CCCC1
|
|
|
289
|
c1cc(oc1)[C@@H]2CCCN2S(=O)(=O)c3c[nH]cn3
|
|
|
290
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
|
291
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
|
292
|
c1cnn(c1)c2cncc(n2)Cl
|
|
|
293
|
Cc1c(c(n[nH]1)O)C2=NCCC2
|
|
|
294
|
CC(=O)NCCn1cccn1
|
|
|
295
|
COc1c2cn[nH]c2ncn1
|
|
|
296
|
c1ncn(n1)C(=O)NC2CCCCC2
|
|
|
297
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
298
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
|
299
|
C[C@@H](c1ccnc(n1)N)n2cncn2
|
|
|
300
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
301
|
CCSc1ccc(nn1)N
|
|
|
302
|
c1c(cnnc1[O-])C(F)(F)F
|
|
|
303
|
COC(=O)[C@@H]1CC2CNCN2C(=O)N1
|
|
|
304
|
c1csc2c1n3cn[nH]c(=O)c3c2
|
|
|
305
|
c1cc(nc2c1NC(=O)C2)F
|
|
|
306
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
|
307
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
|
308
|
CSc1nnc2n1[nH]cn2
|
|
|
309
|
CCC(=O)Cc1cnccn1
|
|
|
310
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
|
311
|
C(C1[N-]NNN1)C2[N-]NNN2
|
|
|
312
|
CC[C@@H]1C2=C(CN(C2=O)CC(=O)[O-])NC(=O)N1
|
|
|
313
|
COC(=O)c1ccc(o1)C#N
|
|
|
314
|
CCCCCCC1CN[NH]N1
|
|
|
315
|
C(c1c(non1)N)c2c(non2)N
|
|
|
316
|
c1c[nH]c2c1cc3c(c2)OCO3
|
|
|
317
|
[C@H]12[C@H]([C@@H]1C(=O)[O-])C(=O)N=C2[O-]
|
|
|
318
|
c1nc(nn1CC(=O)N)C#N
|
|
|
319
|
c1c(cnc(n1)C(F)(F)F)[O-]
|
|
|
320
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
|
321
|
c1csc2c1-c3c(c(no3)C(=O)[O-])CC2
|
|
|
322
|
CCNC(=O)Cn1ccnc1
|
|
|
323
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
|
324
|
c1c(snn1)N2CCOCC2
|
|
|
325
|
c1csc2c1c(n[nH]c2=O)N
|
|
|
326
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
|
327
|
c1ccc2c(c1)C(=O)/C(=N
3cnnc3)/N2
|
|
|
328
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
|
329
|
Cc1c(c[nH]n1)c2ccccc2
|
|
|
330
|
c1ccc(cc1)c2c3c(non3)on2
|
|
|
331
|
c1cnoc1c2nnc(o2)N
|
|
|
332
|
COC(=O)N[C@@H]1CC=CC[C@@H]1F
|
|
|
333
|
c1ccc(cc1)COc2c(nccn2)N
|
|
|
334
|
Cc1nccc(n1)Sc2ccccc2
|
|
|
335
|
C1CNc2nc(nn2C1)C(=O)[O-]
|
|
|
336
|
|
|
|
337
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C(=O)[NH]C(=O)O2)O)O)O
|
|
|
338
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
|
339
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
|
340
|
c1ccc2c(c1)n3cnnc3s2
|
|
|
341
|
c1cn2c(c1CO)[C@@H](CC2)O
|
|
|
342
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
|
343
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
|
344
|
CC(=O)NC1CCCN2C1NNN2
|
|
|
345
|
c1coc2c1c(=O)[nH]nc2[O-]
|
|
|
346
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
|
347
|
C1CCC(CC1)N2CNc3nnnn3C2
|
|
|
348
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
|
349
|
c1cnn2c1N[C@H](CC2=O)CO
|
|
|
350
|
Cn1c(nnn1)SCC#C
|
|
|
351
|
CC1=C(CCO1)C(=O)NCCO
|
|
|
352
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
|
353
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
|
354
|
Cc1c(non1)N2CCOCC2
|
|
|
355
|
c1c(nc[nH]1)I
|
|
|
356
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
357
|
c1ccc(cc1)Sc2cnns2
|
|
|
358
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
|
359
|
C(C[C@@H]([C@@H](CO)O)O)CO
|
|
|
360
|
c1c2n(cn1)[C@@H](CCC2)CCCC#N
|
|
|
361
|
c1ccc(cc1)OCc2nnco2
|
|
|
362
|
Cc1c2cc(ccc2[nH]n1)F
|
|
|
363
|
Cc1cc([nH]n1)OCCC#N
|
|
|
364
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
365
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
366
|
Cc1nnn(n1)Cc2nnnn2C
|
|
|
367
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
|
368
|
CC(=O)n1ccc(n1)C(=O)[O-]
|
|
|
369
|
c1c(nc(o1)N)C(F)(F)F
|
|
|
370
|
c1cc2c(cc(=O)oc2cc1O)N
|
|
|
371
|
COC(=O)c1cccc2n1ncn2
|
|
|
372
|
Cc1c(non1)NCn2cnnn2
|
|
|
373
|
|
|
|
374
|
CC1=C2C(=N[C@@H]1c3ccncc3)CCNC2=O
|
|
|
375
|
CCC(=O)Oc1c(n[nH]c1N)C
|
|
|
376
|
Cc1nc(cs1)c2nnc(o2)N
|
|
|
377
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
|
378
|
CCOC(=O)C1=C(C(=O)NCC1)[O-]
|
|
|
379
|
c1cc(ccc1[C@@H](c2ccns2)O)F
|
|
|
380
|
c1cc2c(cc1F)C(=O)NC2
|
|
|
381
|
c1ccnc(c1)[S@@](=O)c2cncs2
|
|
|
382
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
383
|
CC1CCC(O1)C2CCCC(=O)O2
|
|
|
384
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
|
385
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
|
386
|
C1[C@H]2[C@H]3CO[C@@H]([C@@H]1NC(=O)N2)O3
|
|
|
387
|
Cc1c(cco1)c2nnc(o2)N
|
|
|
388
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
389
|
c1cc2c(c(c1)F)c(no2)N
|
|
|
390
|
Cc1csc(n1)c2cn[nH]c2N
|
|
|
391
|
c1ccn(c1)Nc2ccncc2
|
|
|
392
|
CNC(=O)N[C@@H]1CCCC=C1
|
|
|
393
|
C1C(C(=O)[NH]C(=O)O1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
394
|
c1cnn(c1)Cn2cc(cn2)N
|
|
|
395
|
C1C=CN(C(=O)N1CO)CO
|
|
|
396
|
c1ccc(cc1)CCn2cnnn2
|
|
|
397
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
398
|
c1cc2c(cc1O)CC(=O)O2
|
|
|
399
|
CC(C)(C)C(=O)n1ccnc1
|
|
|
400
|
Cc1c(c(n[nH]1)C)Sc2[nH]ncn2
|
|
|
401
|
Cc1cc-2c(s1)CCCCc3n2nnn3
|
|
|
402
|
C=CC[C@@H]1CCCCC(=O)N1
|
|
|
403
|
c1ccc(cc1)[C@H]2[C@H](C(=O)N2)O
|
|
|
404
|
c1cc2c(cc1N)c3c(o2)CCC3
|
|
|
405
|
C1NC([NH]N1)CCCS(=O)(=O)[O-]
|
|
|
406
|
c1c[nH]nc1C2CCCCC2
|
|
|
407
|
C[C@@H](n1cncn1)Oc2cccc(c2)Cl
|
|
|
408
|
c1nc(c(n1CCO)N)C#N
|
|
|
409
|
Cc1nc(on1)c2c(non2)N
|
|
|
410
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
411
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
412
|
c1c(cncn1)n2cc(nc2)N
|
|
|
413
|
CC(=C)c1nc(co1)C(=O)[O-]
|
|
|
414
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
|
415
|
c1ccc2c(c1)[C@@H](OC2=O)Nn3cnnc3
|
|
|
416
|
c1cc2c(=O)[nH]nc(n2c1)[O-]
|
|
|
417
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
418
|
c1ccc2c(c1)C(=O)OCC(=O)N2
|
|
|
419
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
|
420
|
|
|
|
421
|
c1cc(cc2c1cc[nH]2)Cl
|
|
|
422
|
CC1(C[C@@H]2[C@@H](C1)[C@](Cc3cocc3[C@@H]2O)(C)O)C
|
|
|
423
|
c1cc2c(cc1N)NCC[NH2+]2
|
|
|
424
|
c1ccc2c(c1)C[C@@H]3CC[C@@H](C3=N2)O
|
|
|
425
|
CC1([C@@H](N(C(=O)N1)CC=C)O)C
|
|
|
426
|
C1CCCC(=CC(=O)N)CC1
|
|
|
427
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
|
428
|
CC(C)OC(=O)C1=NC(=O)CC=C1
|
|
|
429
|
c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2
|
|
|
430
|
Cc1c(cno1)c2csc(n2)C
|
|
|
431
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
|
432
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
|
433
|
c1cc(sc1)C(=O)n2cnnc2N
|
|
|
434
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
|
435
|
C1CCC2C(C1)[C@@H]3CC[C@H]2NC3=O
|
|
|
436
|
c1ccc(cc1)C(=O)c2ccco2
|
|
|
437
|
c1cc(sc1)c2[n-]nnn2
|
|
|
438
|
Cc1c(non1)c2cc3ccccn3c2
|
|
|
439
|
C1COCCN1c2[n-]nnn2
|
|
|
440
|
CC(=O)Nn1c2ccccc2nn1
|
|
|
441
|
c1cc2c(cc1N)N3CC[NH+]=C3S2
|
|
|
442
|
CNC(=O)Oc1ccccc1
|
|
|
443
|
c1ccc(cc1)CCc2cnccn2
|
|
|
444
|
C[C@@H]1COC(=N1)C2CCCCN2
|
|
|
445
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
|
446
|
c1ccc(cc1)Cc2ccn[nH]2
|
|
|
447
|
c1cc(oc1)c2cc(on2)N
|
|
|
448
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
|
449
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
450
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
451
|
Cc1cccc(n1)n2ccnc2
|
|
|
452
|
c1ccc(cc1)C(=O)C(O)O
|
|
|
453
|
CCOc1nc(nc(n1)N)C
|
|
|
454
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
455
|
Cc1c(c([nH]n1)[O-])Oc2ccccc2
|
|
|
456
|
CC(=O)NC1NCNC(N1)N
|
|
|
457
|
c1ccc(c(c1)C(=O)c2cnoc2)O
|
|
|
458
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
459
|
CN1C(NCN1)CCC2CCCCC2
|
|
|
460
|
Cnccs/c1=NC(=O)c2ccc[nH]2
|
|
|
461
|
C1CCC2C(C1)CC=N[C@@H]2CC(=O)[O-]
|
|
|
462
|
Cc1cc(no1)CSc2ccccn2
|
|
|
463
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
464
|
Cc1cc(=O)n2c(n1)sc(n2)Sc3ncnn3N
|
|
|
465
|
|
|
|
466
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
|
467
|
c1ccc(cc1)Cc2nnco2
|
|
|
468
|
c1cc(c2nncn2c1)Cl
|
|
|
469
|
CC1(OC[C@H]([C@@H](CO1)O)O)C
|
|
|
470
|
CS(=O)(=O)c1nc(on1)N
|
|
|
471
|
Cc1c2ccccc2c(=O)on1
|
|
|
472
|
c1cc(c2c(c1)[nH]c(=O)o2)N
|
|
|
473
|
c1c(cn[nH]1)I
|
|
|
474
|
Cc1nc(c(nn1)[O-])Cc2ccccc2
|
|
|
475
|
c1c(c(n[nH]1)n2cnnc2)N
|
|
|
476
|
C1C(=O)N[C@@H]2C=CC=CN2C1=O
|
|
|
477
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
|
478
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
|
479
|
Cc1cn(cn1)c2cccnc2
|
|
|
480
|
CN(C)C(=O)Nc1[n-]nnn1
|
|
|
481
|
Cc1c(non1)NS(=O)(=O)c2ccccc2
|
|
|
482
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
|
483
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
|
484
|
CC(=O)[C@@H]1O[C@@H]2C=C3CCC=CC3=C[C@@H]2O1
|
|
|
485
|
C[C@@H]1[C@@H](NC2C(CNCN2)N1)C
|
|
|
486
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
487
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
|
488
|
|
|
|
489
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
490
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
491
|
CC(=O)c1ccc(o1)C(=O)C
|
|
|
492
|
c1c[nH]nc1C(=O)NC2CC2
|
|
|
493
|
c1nnc2n1NC(=O)CCS2
|
|
|
494
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
495
|
c1ccc2c(c1)N[C@@H]3C[C@H](N2)O[C@@H]3[C@H](CO)O
|
|
|
496
|
|
|
|
497
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
|
498
|
c1ccc2c(c1)N=C([C@@H](O2)CC(=O)[O-])O
|
|
|
499
|
c1cc(oc1)/C=c/2c(=O)n3cnnc3s2
|
|
|
500
|
c1cc(oc1)Cn2c(ccn2)N
|
|
|
501
|
CCN1CC(=C(C=C1O)C)C(=O)N
|
|
|
502
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
503
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
504
|
Cc1c(c(n[nH]1)n2ccnc2)N
|
|
|
505
|
c1ccc-2c(c1)CCc3c2n[nH]c3
|
|
|
506
|
Cc1nnnn1C2CCCCC2
|
|
|
507
|
c1ccc(cc1)CCS(=O)(=O)[O-]
|
|
|
508
|
COC(=O)CC1=NCCOC1=O
|
|
|
509
|
Cn1cc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
510
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
511
|
c1cnsc1C(=O)N2CC(C2)F
|
|
|
512
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
513
|
c1ccnc(c1)CCS(=O)(=O)[O-]
|
|
|
514
|
CC(C)(C)c1ccc(=O)[nH]n1
|
|
|
515
|
c1ccc(cc1)[C@@H]2CCC(=O)O2
|
|
|
516
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
|
517
|
CO[C@@H]1[C@H]2CC(=O)O[C@H]2CO1
|
|
|
518
|
C1CCC(CC1)N2CC(=C(C2=O)[O-])C(=O)N
|
|
|
519
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
|
520
|
c1ncn(n1)C[C@@H]2COC3(O2)CCCCC3
|
|
|
521
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
|
522
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
523
|
CC1NC(ON1)[C@@H]2CCC=CC2
|
|
|
524
|
COC(=O)NS(=O)(=O)C1CCCO1
|
|
|
525
|
C=CCNC(=O)c1ccco1
|
|
|
526
|
CO[C@@H]1CCS(=O)(=O)NC1
|
|
|
527
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
528
|
Cc1c(c(on1)c2c(nns2)C)C(=O)[O-]
|
|
|
529
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
|
530
|
Cc1c2c(nc(n1)N)OCC2
|
|
|
531
|
COC(=O)c1ncn(n1)CC#N
|
|
|
532
|
c1cc2c(c(c1N)N)non2
|
|
|
533
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
534
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
535
|
c1ccc(cc1)[C@H](C(=O)[C@H]2C=CC=N2)O
|
|
|
536
|
c1cnn2c1nc(cc2)Cl
|
|
|
537
|
CC(C)c1nnc(o1)C(=O)[O-]
|
|
|
538
|
c1ccc(cc1)Cn2ccnc2
|
|
|
539
|
CCN1CCC2C1NCNC2N
|
|
|
540
|
c1ccc(cc1)C2=CCC(=O)O2
|
|
|
541
|
CCC(=O)Oc1c(noc1C)C
|
|
|
542
|
Cc1cc(c(nn1)N)C(=O)N
|
|
|
543
|
CNC1NNNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
544
|
C1CCn2c(nnn2)[C@@H](C1)C(=O)[O-]
|
|
|
545
|
c1c(snn1)c2csnn2
|
|
|
546
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
547
|
c1ccc2c(c1)C[C@@H]3[C@@H](C2)NC3=O
|
|
|
548
|
c1ccnc(c1)C(=O)c2ccc[nH]2
|
|
|
549
|
C1CNC-2NCN3C(C12)NN[NH]3
|
|
|
550
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
|
551
|
CC1(CC=CC1)NS(=O)(=O)C
|
|
|
552
|
c1cnnc(n1)c2nccnn2
|
|
|
553
|
C1CCC(C1)(C#N)NCCO
|
|
|
554
|
C1C[C@@]2(C=C[C@@]3(O2)CCCO3)OC1
|
|
|
555
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
|
556
|
C1=CC=CC(C=C1)NC(=O)N
|
|
|
557
|
c1c(noc1N)C2CCCC2
|
|
|
558
|
|
|
|
559
|
C=CCNC1CCNC(N1)N
|
|
|
560
|
CCC(=O)Nc1c(non1)N
|
|
|
561
|
C1=CC2=NNC(=O)[C@@H]2C=C1C(=O)[O-]
|
|
|
562
|
Cn1c(nnn1)/N=C(/c2ccc(o2)Br)[O-]
|
|
|
563
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
|
564
|
c1cc(ccc1C2=CC=NS(=O)(=O)N2)Cl
|
|
|
565
|
COc1ccc-2c(c1)CCc3c2onc3
|
|
|
566
|
c1ccc2c(c1)c3c(=O)[nH]ncn3n2
|
|
|
567
|
|
|
|
568
|
|
|
|
569
|
CCCCO[C@@H](C)n1cnnc1
|
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