Menu
Virtual screening for IDP 3F09 - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cnnc(n1)c2nccnn2
|
|
|
2
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
3
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
|
4
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
5
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
|
6
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
|
7
|
Cc1cc(nc(n1)n2c(=O)ccc(n2)[O-])C
|
|
|
8
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
|
9
|
C1Cn2c(=O)[nH]c(=O)nc2N1
|
|
|
10
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
11
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
12
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
13
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
14
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
15
|
Cc1c(oc(n1)SCC(=O)[O-])C
|
|
|
16
|
c1[nH]c(c(n1)C(=O)[O-])C(=O)[O-]
|
|
|
17
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
|
18
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
|
19
|
c1csc2n1c(=O)[nH]c(=O)n2
|
|
|
20
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
21
|
Cc1nnn(n1)Cc2nnnn2C
|
|
|
22
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
23
|
c1cnc(nc1c2nccs2)N
|
|
|
24
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
25
|
c1csc2c1c(n[nH]c2=O)N
|
|
|
26
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
|
27
|
c1ccnc(c1)n2c(=O)c(=O)[nH]cn2
|
|
|
28
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
29
|
c1[nH]c(=O)c2c(n1)NCCC2
|
|
|
30
|
Cc1c(c(n[nH]1)O)C2=NCCCCC2
|
|
|
31
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
32
|
Cc1c(c(n(n1)Cc2[n-]nnn2)C)Br
|
|
|
33
|
Cc1ccsc1/C(=N/c2n[nH]nn2)/[O-]
|
|
|
34
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
35
|
c1cnc(cn1)c2nnc(o2)N
|
|
|
36
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
37
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
38
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
39
|
c1c(c2nc(=O)[nH]c(=O)n2[nH]1)Br
|
|
|
40
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
41
|
c1c[nH]nc1c2nccs2
|
|
|
42
|
c1cc(oc1)c2c[nH]c(=O)nc2N
|
|
|
43
|
Cc1c(non1)c2ccnc3n2c(nn3)N
|
|
|
44
|
Cc1cc(nc(n1)c2ccco2)Cl
|
|
|
45
|
C1CC(OC1)C2NC(=O)[NH]C(=O)S2
|
|
|
46
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
|
47
|
Cc1csc(n1)c2cn[nH]c2N
|
|
|
48
|
Cc1c(sc(n1)C)c2nnc(o2)N
|
|
|
49
|
CC1CCCC(N1)C2[N-]NNN2
|
|
|
50
|
c1cnn2c1c(=O)n(nc2)CC(=O)[O-]
|
|
|
51
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
|
52
|
c1ccc(cc1)n2c(ncn2)CN3CCCC3=O
|
|
|
53
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
|
54
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
|
55
|
CCOc1nc(nc(n1)N)C
|
|
|
56
|
C(C#N)c1nc(nc(n1)N)N
|
|
|
57
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
58
|
COC(=O)CCc1c[nH]cn1
|
|
|
59
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
|
60
|
c1cnoc1c2nnc(o2)N
|
|
|
61
|
c1ccnc(c1)CCSc2nncs2
|
|
|
62
|
Cc1c(nnc2c1c(n[nH]2)N)C
|
|
|
63
|
Cc1coc2c1c(=O)[nH]cn2
|
|
|
64
|
CCOC=C(c1nnco1)c2nnco2
|
|
|
65
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
|
66
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
67
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
|
68
|
c1cc2c(c(c1N)N)non2
|
|
|
69
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
|
70
|
CC1NC(ON1)C2CNCCN2
|
|
|
71
|
CS(=O)(=O)Nc1ncccn1
|
|
|
72
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
|
73
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
74
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
|
75
|
Cc1cc(nc(n1)c2ccn[nH]2)Cl
|
|
|
76
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
77
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
78
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
|
79
|
c1c(cncn1)n2cc(nc2)N
|
|
|
80
|
c1cn(c(=O)c(=O)[nH]1)CCC(=O)[O-]
|
|
|
81
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
|
82
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
|
83
|
c1ccnc(c1)/C(=N/c2n[nH]nn2)/[O-]
|
|
|
84
|
CCn1c2cc(=O)[nH]c(c2c(n1)N)[O-]
|
|
|
85
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
|
86
|
Cc1c(c(=O)[nH]c(n1)[O-])C#N
|
|
|
87
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
|
88
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
89
|
CS(=O)(=O)NCc1ccco1
|
|
|
90
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
|
91
|
c1c(nc(cn1)Cl)n2cncn2
|
|
|
92
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
93
|
Cc1nnc(o1)CSc2nccn2C
|
|
|
94
|
c1ccc(cc1)C(=O)c2c(non2)N
|
|
|
95
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
96
|
Cc1cc(no1)CSc2nc(c(o2)C)C
|
|
|
97
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
98
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
|
99
|
Cc1cc(no1)c2nnc(o2)N
|
|
|
100
|
CCc1nc2ccsc2c(n1)c3ccccn3
|
|
|
101
|
C1CNC-2NCN3C(C12)NN[NH]3
|
|
|
102
|
C1C(=O)CC2NN[NH]N2C1N
|
|
|
103
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
104
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
|
105
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
|
106
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
107
|
c1cc2c(nc1)n(nn2)[O+]=C(N)N
|
|
|
108
|
|
|
|
109
|
C=CCNc1cn[nH]c(=O)n1
|
|
|
110
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
|
111
|
|
|
|
112
|
c1cn(nc1CC(C(F)(F)F)(C(F)(F)F)O)C(=O)N
|
|
|
113
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
|
114
|
c1ccc(cc1)c2c([nH]c(=O)[nH]2)C(=O)[O-]
|
|
|
115
|
C1CN2C(NC1=[NH2+])O[C@@H]3[C@H]2C[C@@H]([C@H]3O)CO
|
|
|
116
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
117
|
c1cc(oc1)c2csc3c2c(=O)[nH]cn3
|
|
|
118
|
c1ccc(cc1)c2nc(cc(=O)o2)[O-]
|
|
|
119
|
c1c(=O)nc2n3c1NC(=O)C[C@@]3(CS2)O
|
|
|
120
|
C1CC(C1)c2nc(no2)CO
|
|
|
121
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
122
|
CCSc1nncn1Cc2ccco2
|
|
|
123
|
Cc1nc(no1)CSc2nncs2
|
|
|
124
|
|
|
|
125
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
126
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
|
127
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
128
|
C1C2C(NC(=O)[NH]1)OCCN2
|
|
|
129
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
130
|
CCC(=O)Cc1cnccn1
|
|
|
131
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
132
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
|
133
|
c1nc-2[nH]c(c(nc2n1)N)[O-]
|
|
|
134
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
135
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
|
136
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
137
|
C=CCNc1nc(ns1)N
|
|
|
138
|
Cc1nc(co1)/C=C(C)/CO
|
|
|
139
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
|
140
|
c1ccnc(c1)SCc2ccco2
|
|
|
141
|
C(C1[N-]NNN1)C2[N-]NNN2
|
|
|
142
|
Cc1c(cco1)c2nnc(o2)N
|
|
|
143
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
|
144
|
CC1C(C(ON1)C)CC2NNC(O2)N
|
|
|
145
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
146
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
|
147
|
C1CC2C(CC1N)C=CCS2
|
|
|
148
|
Cc1c(nn2c(n1)nnn2)C
|
|
|
149
|
Cc1ccc2c(c1)nnc(n2)N
|
|
|
150
|
c1cc(oc1)[C@@H]2C[C@@H]2C(=O)[O-]
|
|
|
151
|
C1CCN(CC1)C2NC(=O)C(NS2)N
|
|
|
152
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
|
153
|
c1cc2cc(sc2nc1)CO
|
|
|
154
|
c1c[nH]c(=O)c2c1scc2
|
|
|
155
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
156
|
Cc1c(c(n[nH]1)C)Sc2[nH]ncn2
|
|
|
157
|
|
|
|
158
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
|
159
|
Cc1nc(c2n1nc[nH]c2=O)CC(C)C
|
|
|
160
|
[H]/N=c/1[nH]nc2c(n1)-c3ccccc3C2=O
|
|
|
161
|
c1ccc2c(c1)c(=O)[nH]c3n2nnc3
|
|
|
162
|
c1nc(c2c(n1)[nH]c(n2)[O-])N
|
|
|
163
|
Cn1c(ccn1)c2nnc(o2)N
|
|
|
164
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
165
|
c1c(non1)c2c(non2)N
|
|
|
166
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
167
|
c1cc(oc1)c2nsc(=O)o2
|
|
|
168
|
C1CCC(C1)c2nnc(o2)N
|
|
|
169
|
C1COCCN1c2nnc(o2)N
|
|
|
170
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
171
|
c1ccc(cc1)Cc2nnco2
|
|
|
172
|
c1ccc(cc1)COc2c(non2)N
|
|
|
173
|
C[C@@H]1CCC2C(C(=O)[NH]C(N2)N)N1
|
|
|
174
|
c1c(=O)nc2n3c1NC(=O)Cc3cs2
|
|
|
175
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
|
176
|
CSC1NCCC(N1)C#N
|
|
|
177
|
c1ccc2c(c1)c3c(con3)c(=O)o2
|
|
|
178
|
Cc1cc(no1)CSc2nncs2
|
|
|
179
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
180
|
c1cnnc2c1-c3c(non3)CC2
|
|
|
181
|
Cc1c(c(n(n1)C)C)Nc2nc([nH]n2)N
|
|
|
182
|
c1c(c(n[nH]1)n2cnnc2)C(=O)[O-]
|
|
|
183
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
184
|
CC(=O)n1ccc(n1)C(=O)[O-]
|
|
|
185
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
|
186
|
CC[C@@](C)(c1nnn(n1)C)O
|
|
|
187
|
c1cc(sc1)Cc2[n-]nnn2
|
|
|
188
|
COC(=O)Cc1cccnn1
|
|
|
189
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
|
190
|
Cc1c2c(onc2c(=O)[nH]n1)C
|
|
|
191
|
Cc1nc(on1)CNS(=O)(=O)C
|
|
|
192
|
CCSc1ncnc(n1)N
|
|
|
193
|
c1cc(c(nc1)c2ccsc2)N
|
|
|
194
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
195
|
CC1=C([C@@H](n2c(ncn2)N1)c3ccoc3)C(=O)N
|
|
|
196
|
c1ccnc(c1)SCCn2cccn2
|
|
|
197
|
c1cc(oc1)c2nnc(s2)N
|
|
|
198
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
199
|
|
|
|
200
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
201
|
CSc1nnc(nn1)SC
|
|
|
202
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
203
|
C1NC2C(S1)C(=O)[NH]C(N2)N
|
|
|
204
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
205
|
C1NC(C2N1CCC(=O)N2)C(=O)N
|
|
|
206
|
|
|
|
207
|
Cc1nc2c(ncnc2o1)N
|
|
|
208
|
Cc1[nH]c(=O)c2c(n1)C[NH2+]C2
|
|
|
209
|
c1csc2c1n3cn[nH]c(=O)c3c2
|
|
|
210
|
Cc1ccc(nc1)n2cnnn2
|
|
|
211
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
|
212
|
C1C=C2C(=C[C@@]1(CCO)N)OCO2
|
|
|
213
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
|
214
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
215
|
c1[nH]c2c(n1)c(nnc2N)N
|
|
|
216
|
C1=CC=CC(C=C1)NC(=O)N
|
|
|
217
|
c1c[nH]c2c1c(cnc2)Cl
|
|
|
218
|
c1ccc2c(c1)[C@@H]3N4[C@@H]2OCC4(CO3)CO
|
|
|
219
|
C1COC(=CO1)c2nnc(o2)N
|
|
|
220
|
c1cocc1c2nc([nH]n2)N
|
|
|
221
|
c1cc(nc2c1n[n-]n2)Cl
|
|
|
222
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
223
|
c1cc(n[nH]c1=O)NC2CC2
|
|
|
224
|
Cc1ncc2c(n1)NC(=O)NC2
|
|
|
225
|
Cc1c2c(=O)ccsc2c([nH]1)C
|
|
|
226
|
c1ccc2c(c1)nc3n2nnc4c3cn[nH]4
|
|
|
227
|
Cc1[nH]cc(n1)c2ccccc2
|
|
|
228
|
c1ccc2c(c1)[nH]c3n2ncn3
|
|
|
229
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)o2
|
|
|
230
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
231
|
Cn1c2c(cn1)nc[nH]c2=O
|
|
|
232
|
Cc1cc2c(c(n[nH]c2=O)N)c(=O)[nH]1
|
|
|
233
|
c1ccc2c(c1)c3c(cn2)c(n[nH]3)N
|
|
|
234
|
CCOC(=O)c1nccnn1
|
|
|
235
|
c1nc2c(s1)c(=O)[nH][nH]c2=O
|
|
|
236
|
CCSc1cc(ncn1)N
|
|
|
237
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
238
|
CCOC(=O)c1nc(on1)C
|
|
|
239
|
c1c2c(c(nc1N)O)n[nH]n2
|
|
|
240
|
c1c(c2c(nncn2n1)[O-])Cl
|
|
|
241
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
|
242
|
c1cc(sc1)Sc2c(nccn2)C#N
|
|
|
243
|
c1ncn(n1)CCn2cncn2
|
|
|
244
|
C1C[C@@H](OC1)c2nnc(o2)N
|
|
|
245
|
c1ccc2c(c1)n3c(s2)nnn3
|
|
|
246
|
Cc1cc(nc(n1)N2C(=O)CC(=N2)N)C
|
|
|
247
|
CCOC(=O)C1=C(C(=O)NCC1)[O-]
|
|
|
248
|
c1ccc-2c(c1)Cc3c2nncc3
|
|
|
249
|
c1cscc1c2c[nH]cc2C(=O)[O-]
|
|
|
250
|
c1ccc2c(c1)[C@@H]3Cc4cccnc4[C@]2(C3)O
|
|
|
251
|
CCOC(=O)c1[nH]nc(n1)N
|
|
|
252
|
Cc1nc(no1)CSc2ccccc2
|
|
|
253
|
CS(=O)(=O)NCc1ccccn1
|
|
|
254
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
255
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
|
256
|
C1CC2=N[C@@H]3[C@@H](N2C1)N=CN=C3Cl
|
|
|
257
|
Cc1c2c(nc(n1)N)OCC2
|
|
|
258
|
c1cnc2c(n1)C(=O)NCN2
|
|
|
259
|
[H]/N=c/n(c2c(s1)nc3ccccc3n2)N
|
|
|
260
|
c1cc2c(=O)[nH]nc(n2c1)[O-]
|
|
|
261
|
CC1NC(C(NN1)C(=O)N)[O-]
|
|
|
262
|
C1CC(CCC=C1)CCC(=O)N
|
|
|
263
|
c1cc(sc1)c2c(n[n-]n2)C#N
|
|
|
264
|
|
|
|
265
|
CN1CCn2ccc3c2c1nc(=O)[nH]3
|
|
|
266
|
CCOC(=O)c1c(onn1)C
|
|
|
267
|
c1c(nn2c1OCCC2)CO
|
|
|
268
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
|
269
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
270
|
c1ccc(cc1)Nc2cn[nH]n2
|
|
|
271
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
272
|
CC[C@@H]1C2=C(CN(C2=O)CC(=O)[O-])NC(=O)N1
|
|
|
273
|
Cc1[nH]nc(n1)c2ccccc2
|
|
|
274
|
Cc1c(sc(n1)Cc2nc(cs2)O)C
|
|
|
275
|
Cc1cc(c2cccc(c2n1)O)n3cccn3
|
|
|
276
|
C1CC2C(C(N[NH]C2=O)[O-])C1
|
|
|
277
|
c1c(c([nH]n1)N)C2=CCCCC2
|
|
|
278
|
CC[C@@]1(C(=O)N=C2N1C(=O)c3c2cccc3)C
|
|
|
279
|
CN1C2C(C(=O)[NH]1)NCCN2
|
|
|
280
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
|
281
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
282
|
c1ccc(cc1)c2ccncn2
|
|
|
283
|
Cc1nc(no1)c2ncon2
|
|
|
284
|
C1NC2C(C(N1)[O-])NC(NN2)[O-]
|
|
|
285
|
CC1=C([C@@H](C1)C(=O)N)C(=O)N
|
|
|
286
|
c1ccc(cc1)c2cccnn2
|
|
|
287
|
Cc1cc2c(o1)ccc3c2non3
|
|
|
288
|
C1CC([NH]C1)C(=O)OCC#N
|
|
|
289
|
c1c[nH]c2c1c(ncc2)Cl
|
|
|
290
|
Cc1cc(nc(n1)SCc2nnc(s2)NC)C
|
|
|
291
|
C1CCC(CC1)[C@@]23CCCN=C2NC(=O)CC3
|
|
|
292
|
CCOC(=O)c1cccnn1
|
|
|
293
|
c1nc(c(n1Cc2n[n-]nn2)Cl)Cl
|
|
|
294
|
c1cc2c(c(c1)S(=O)(=O)[O-])nn[nH]2
|
|
|
295
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
|
296
|
Cc1c2c(c(nn1)[O-])n[nH]n2
|
|
|
297
|
c1cnn(c1)c2cncc(n2)Cl
|
|
|
298
|
CC1NCC2C(N1)C(NC(N2)N)[O-]
|
|
|
299
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
300
|
c1c[nH]c2c1c(cc(c2)F)N
|
|
|
301
|
CCSC1C2C(CN[NH]2)NCN1
|
|
|
302
|
C1CCc2c(nc(nn2)N)C1
|
|
|
303
|
CC1=Nc2c(cccn2)NC(=O)C1
|
|
|
304
|
CNc1cnnc2c1cccc2
|
|
|
305
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
|
306
|
c1ccc2c(c1)c3c(=O)[nH]ncn3n2
|
|
|
307
|
c1cc(ccc1N)Oc2nccs2
|
|
|
308
|
C1CCc2c([nH]nc2O)CC1
|
|
|
309
|
CC1=C(CCO1)C(=O)NCCO
|
|
|
310
|
c1nc-2c3nc(on3cnc2n1)[O-]
|
|
|
311
|
CC1C2C(NC(CN2)CL)ON1
|
|
|
312
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
313
|
Cc1cnc(c(n1)Cl)C#N
|
|
|
314
|
Cc1nc(sn1)C2=CCCN(C2)C
|
|
|
315
|
CCNc1nn2c(=O)cc(nc2s1)C
|
|
|
316
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
|
317
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
|
318
|
c1(=O)[nH]c(=O)n2c(n1)sc(n2)S(=O)(=O)N
|
|
|
319
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
|
320
|
c1c(nc(=O)n(n1)[C@@H]2CCCO2)N
|
|
|
321
|
c1ccc(cc1)C2=CC=CC(C2(O)O)(O)O
|
|
|
322
|
Cc1nc(cs1)c2nnc(o2)N
|
|
|
323
|
c1ccnc(c1)c2c[nH]nc2N3CCOCC3
|
|
|
324
|
CCC(=O)Oc1c(n[nH]c1N)C
|
|
|
325
|
COCCn1c(=O)c2c(nn1)scn2
|
|
|
326
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
|
327
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
328
|
C1C[NH]C2C1C(=O)CCNC2=O
|
|
|
329
|
C1C[C@@H](OC1)C(=O)Nc2[n-]nnn2
|
|
|
330
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
331
|
Cc1c(nnc(c1c2[n-]nnn2)[O-])C
|
|
|
332
|
CCCCN1CC(=O)N=C1Nc2ccccc2
|
|
|
333
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
334
|
|
|
|
335
|
CS(=O)(=O)Nc1[n-]cnn1
|
|
|
336
|
Cc1cc(=O)n2c(n1)nc(c(n2)C)[O-]
|
|
|
337
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
338
|
Cc1cc(=O)n2c(n1)SCC(=O)N2
|
|
|
339
|
CN1CC=NC2C1NC([NH]C2=O)N
|
|
|
340
|
Cc1c-2c(oc1C(=O)[O-])CCc3c2[nH]nc3
|
|
|
341
|
|
|
|
342
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
343
|
c1ccc(cc1)C[C@H]2C(=O)COC2=O
|
|
|
344
|
c1cc2c(nc1C#N)CCCN2
|
|
|
345
|
c1cc(ccc1N)Sc2nncs2
|
|
|
346
|
CNC(=O)NCNC(=O)NC
|
|
|
347
|
c1cc(oc1)[C@@H]2CCCN2S(=O)(=O)c3c[nH]cn3
|
|
|
348
|
Cc1c2cc(ccc2[nH]n1)F
|
|
|
349
|
|
|
|
350
|
c1cnc(nc1c2cnccn2)N
|
|
|
351
|
Cc1cc(=O)n([nH]1)c2[n-]nnn2
|
|
|
352
|
c1nc(nn1CC(F)(F)F)N
|
|
|
353
|
Cn1c(nnn1)SCC#C
|
|
|
354
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
355
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
356
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
357
|
c1cc(c2nncn2c1)Cl
|
|
|
358
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
|
359
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
|
360
|
CCC1C(=O)NCCNC1=O
|
|
|
361
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
|
362
|
c12c([nH]c(=O)nc1onn2)[O-]
|
|
|
363
|
c1c2c(cnc1Cl)CCN2
|
|
|
364
|
CS(=O)(=O)Nc1cccn2c1ncn2
|
|
|
365
|
C[C@@H](c1ccnc(n1)N)n2cncn2
|
|
|
366
|
c1ccc(cc1)NC(=O)c2[n-]ncn2
|
|
|
367
|
c1ccc2c(c1)C(=O)N[C@@]2(c3[nH]ccn3)O
|
|
|
368
|
Cc1cc([nH]n1)OCCC#N
|
|
|
369
|
CC1=C[C@@H]2c3c(non3)C=CC2=N1
|
|
|
370
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2cc[nH]n2
|
|
|
371
|
c1cc(cc(c1)F)[N-]S(=O)(=O)c2cc(oc2)C(=O)N
|
|
|
372
|
C/C(=N/c1nc(nn1C(=O)N)N)/O
|
|
|
373
|
c1nnc2n1nc3c(c2[O-])CCC3
|
|
|
374
|
CC1([C@@H](N(C(=O)N1)CC=C)O)C
|
|
|
375
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
|
376
|
c1cc(sc1)c2c(non2)N
|
|
|
377
|
CC(=O)NCc1ccccn1
|
|
|
378
|
c1ccc(c(c1)C(=O)[O-])[n+]2cc(on2)[O-]
|
|
|
379
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
|
380
|
Cc1cc(n2c(n1)ncn2)[O-]
|
|
|
381
|
c1ccc(cc1)CCc2csnn2
|
|
|
382
|
|
|
|
383
|
c1ccc(cc1)Cn2cnnn2
|
|
|
384
|
CCSc1ccc(nn1)N
|
|
|
385
|
Cc1nccc(n1)Sc2ccccc2
|
|
|
386
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
|
387
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
388
|
C(C[C@@H]([C@@H](CO)O)O)CO
|
|
|
389
|
CN[S@@](=O)NC1CC[NH]C(=O)N1
|
|
|
390
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
|
391
|
c1csc(n1)n2cnnn2
|
|
|
392
|
Cc1c(cccn1)C2=NCCC2
|
|
|
393
|
c1csc2c1c(ncn2)N
|
|
|
394
|
C1CCC(CC1)(O)O[S@@](=O)O
|
|
|
395
|
CC1=CO[C@@](CC1)(C)C(=O)[O-]
|
|
|
396
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
397
|
c1cnc(nc1)N2[C@@H]3C[C@H](C2(C(F)(F)F)C(F)(F)F)C=C3
|
|
|
398
|
|
|
|
399
|
CN1[C@@H](c2c(cccn2)C1=O)CC(=O)[O-]
|
|
|
400
|
c1nc([nH]n1)c2c(non2)N
|
|
|
401
|
CN(C)c1nnnn1c2ncccn2
|
|
|
402
|
CCOc1nnc(s1)CN(C)Cc2ccco2
|
|
|
403
|
c1cc2ccn(c2nc1)CC(=O)[O-]
|
|
|
404
|
Cc1cc2c(c(n1)C)c(=O)[nH]n2C(=O)C
|
|
|
405
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
406
|
Cc1cc(no1)CSc2ccccn2
|
|
|
407
|
Cc1nnc(o1)Nc2ccccc2
|
|
|
408
|
c1(c(n[nH]n1)Cl)c2nc([n-]n2)Cl
|
|
|
409
|
c1c2c(c([nH]1)Br)CCS2(=O)=O
|
|
|
410
|
c1(nnc(s1)C(=O)N)C(=O)N
|
|
|
411
|
C1CC(OC1)N2C(=O)C(C[NH]C2=O)F
|
|
|
412
|
c1ccnc(c1)CCS(=O)(=O)[O-]
|
|
|
413
|
C1C[C@@]2(C=C[C@@]3(O2)CCCO3)OC1
|
|
|
414
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
415
|
Cc1c(c(n[nH]1)C)SCC(=O)[O-]
|
|
|
416
|
c1c2c([nH]c1C(=O)[O-])nco2
|
|
|
417
|
c1cc(oc1)c2cc(no2)CO
|
|
|
418
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
|
419
|
c1cc(nn2c1ncc2)Cl
|
|
|
420
|
CN(C)c1nnc(o1)[C@H]2C=N[NH+]=C2N
|
|
|
421
|
Cc1csc2n1nc(n2)N
|
|
|
422
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
423
|
c1cc2c(cc1F)C(=O)NC2
|
|
|
424
|
Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O
|
|
|
425
|
c1ccc(cc1)Oc2ccccn2
|
|
|
426
|
COc1ccc2nnnn2n1
|
|
|
427
|
CC1CCC(O1)C2CCCC(=O)O2
|
|
|
428
|
c1c2c(nc(n1)N)CCOC2
|
|
|
429
|
C([C@@H](CO)O)N1C(=O)SC(N1)N
|
|
|
430
|
Cc1nc(on1)c2c(non2)N
|
|
|
431
|
|
|
|
432
|
c1c(c2c(nc[nH]2)nn1)Cl
|
|
|
433
|
c1ccn(c(=O)c1)OCC(=O)[O-]
|
|
|
434
|
CC1CC2CC3N(C2NN1)N=CCC3
|
|
|
435
|
c1cc(c2c(c1)[nH]c(=O)o2)N
|
|
|
436
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
437
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
|
438
|
CCOc1c(c([nH]n1)N)C#N
|
|
|
439
|
Cc1nnnn1C2CCCCC2
|
|
|
440
|
Cc1[nH]c(c(n1)Cl)Cl
|
|
|
441
|
CC1(OC(=C(O1)C(=O)N)C(=O)N)C
|
|
|
442
|
c1c(=O)[nH]c2c(n1)CCCC2
|
|
|
443
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
444
|
Cc1cc(n(n1)C2=NCCN2)C
|
|
|
445
|
c1cc(c2c(c1)non2)CO
|
|
|
446
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
|
447
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
|
448
|
CC1CCC2C(N1)C(=O)NC[NH]2
|
|
|
449
|
Cc1csc(n1)C[C@@](c2nccn2C)(C(F)(F)F)O
|
|
|
450
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
451
|
c1c2nnnn2c(cn1)Cl
|
|
|
452
|
c1cc2c(cc1N)NCC[NH2+]2
|
|
|
453
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
454
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
|
455
|
c1cc2c(nc1)[C@H](C(=O)O2)C#N
|
|
|
456
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
|
457
|
c1cscc1c2nnc(o2)N
|
|
|
458
|
c1cnn(c1)CN2CCCC2
|
|
|
459
|
CN1NC(NN1)C2[N-]NNN2
|
|
|
460
|
Cc1ccc(o1)/C=C(C)/CO
|
|
|
461
|
C1Cn2c(nnc2SC1)N
|
|
|
462
|
c1ccc2c(c1)ncc(n2)C#N
|
|
|
463
|
c1ccc2c(c1)c(ccn2)c3cocn3
|
|
|
464
|
c1c2c(=O)[nH]c(nc2n[nH]1)[O-]
|
|
|
465
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
|
466
|
c1cc(c(nc1)c2ccco2)N
|
|
|
467
|
c1cc2c(c(c1)F)c(no2)N
|
|
|
468
|
c1ccc2c(c1)nc3n2C(=O)C3
|
|
|
469
|
C[C@@H](C[S@@](=O)[O-])C(=O)[O-]
|
|
|
470
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
|
471
|
Cn1cnc2c(c(nn2c1=O)C#N)C#N
|
|
|
472
|
CC1(OC[C@@H](O1)CC(=O)N)C
|
|
|
473
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
474
|
C1=C(C=C([C@H]2C1=NC=N2)N)C(=O)[O-]
|
|
|
475
|
c1csc(c1n2cnnn2)C(=O)[O-]
|
|
|
476
|
CCOC(=O)C1=C(NC(=N[C@@H]1c2ccccc2)O)C
|
|
|
477
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
|
478
|
CCCCCCC1CN[NH]N1
|
|
|
479
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
|
480
|
c1ccc2c(c1)nc3c(noc3n2)[O-]
|
|
|
481
|
c1csc2c1CN(CC2)C(=O)N
|
|
|
482
|
c1cc2c(c(cs2)N)nc1
|
|
|
483
|
C1=C([NH2+]c2nnc(n2N=C1C(F)(F)F)N)[O-]
|
|
|
484
|
c1coc2c1[nH]c(c2)C(=O)[O-]
|
|
|
485
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
486
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
|
487
|
c1ccc(cc1)CNc2c(non2)O
|
|
|
488
|
c1ccc(cc1)c2nc3ccnn3c(n2)[O-]
|
|
|
489
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
|
490
|
c1ccnc(c1)C(=O)c2ccc[nH]2
|
|
|
491
|
C1CCN(C(=O)C1)[C@@H]2C[C@@H]([C@@H](O2)CO)O
|
|
|
492
|
c1(nnc(s1)S(=O)(=O)[NH-])N
|
|
|
493
|
c1csc2c1n3c(c(cn3)C(=O)[O-])nc2Cl
|
|
|
494
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
495
|
C1CCC2C(C1)CC=N[C@@H]2CC(=O)[O-]
|
|
|
496
|
Cc1cc(ncc1[C@@H](CC(=O)N)n2cccc2)C
|
|
|
497
|
C1C2C(NC(N1)[O-])SNN2
|
|
|
498
|
c1cc(c(nc1)n2cccn2)N
|
|
|
499
|
CC(C)(C)N1C(=O)NCS1(=O)=O
|
|
|
500
|
C/1C[C@H]2[C@@H](CC/C=C1)NC2=O
|
|
|
501
|
COC(=O)c1ncn(n1)CC#N
|
|
|
502
|
CC(=O)Nc1c2cn[nH]c2ncn1
|
|
|
503
|
c1c(c(c(c(n1)F)F)F)F
|
|
|
504
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
|
505
|
CCOC1NC(C(NN1)F)[O-]
|
|
|
506
|
C1CCC2(C1)NC(CO2)(CO)CO
|
|
|
507
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
508
|
Cc1[nH]c2cc(ccc2n1)F
|
|
|
509
|
c1ccc2c(c1)nc(c3n2nnn3)N
|
|
|
510
|
c1cc2c(nc1)sc(=O)o2
|
|
|
511
|
Cc1cc(nn2c1nnc2)O
|
|
|
512
|
CCOC(=O)Cc1coc(n1)C
|
|
|
513
|
Cc1c(c[nH]n1)c2ccccc2
|
|
|
514
|
c1cc2c(csc2nc1)N3CCCC3
|
|
|
515
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
516
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
517
|
[H]/N=c/n(ccs1)CC(=O)[O-]
|
|
|
518
|
c1csc2c1c(=O)oc(=O)[nH]2
|
|
|
519
|
C1CC2C(NC1)SCCC2=O
|
|
|
520
|
c1(c(non1)N)c2nnc(o2)N
|
|
|
521
|
Cc1c2ccccc2nc(n1)C
|
|
|
522
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
523
|
CSc1c(c([nH]n1)N)C#N
|
|
|
524
|
c1ccc(cc1)[C@@]2(C=C(C(=O)O2)O)O
|
|
|
525
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
|
526
|
Cc1nn(c(=O)c2n1ccn2)CC(=O)OC
|
|
|
527
|
Cc1cc(=O)oc2c1c(nc(n2)C)[O-]
|
|
|
528
|
c1cc(nnc1n2cnnn2)Cl
|
|
|
529
|
CC1(CCCC2C1NOC2)C
|
|
|
530
|
CCOC(=O)N1CCC2C([NH]OC2=O)CC1
|
|
|
531
|
CC(=O)Nn1c2ccccc2nn1
|
|
|
532
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
|
533
|
CCCCC1C(OC(N1)C)CC=C
|
|
|
534
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
|
535
|
c1cnc2c(n1)c(cs2)N
|
|
|
536
|
CCc1c(nc(n1C#N)CC)C
|
|
|
537
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
538
|
c1cnn(c1)c2nncn2N
|
|
|
539
|
c1c([nH]nn1)SCC(=O)N
|
|
|
540
|
C1COCCN1C2C(=O)NC(SN2)N
|
|
|
541
|
c1[nH]c(=O)c2c(n1)CCN(C2)[C@@H]3CCOC3=O
|
|
|
542
|
c1con2c1nc(c2)C(=O)[O-]
|
|
|
543
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
544
|
C[C@@H]1Cc2c(cn[nH]2)C(=O)C1
|
|
|
545
|
c1ccc2c(c1)CC[C@@](C2)(O)S(=O)(=O)[O-]
|
|
|
546
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
547
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
|
548
|
Cc1[nH]cc(n1)Br
|
|
|
549
|
Cc1c(c(n[nH]1)O)[C@@H]2c3ccccc3C(=O)O2
|
|
|
550
|
CC1(C(=O)N(C(=N1)O)CC(=O)[O-])C
|
|
|
551
|
Cc1nc2cccc3c2n1CCN3
|
|
|
552
|
c1c([nH]c(=O)[nH]c1=O)c2[n-]nnn2
|
|
|
553
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
|
554
|
C=CCNC1CCNC(N1)N
|
|
|
555
|
CCNC(=O)Cn1ccnc1
|
|
|
556
|
c1c(=O)nc2n(n1)c(cs2)N
|
|
|
557
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
558
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
559
|
C(#N)c1c(c2c(nc1N)non2)N
|
|
|
560
|
|
|
|
561
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
562
|
c1cc(oc1)Cn2c3c(nc2Cl)CCC3
|
|
|
563
|
C#Cc1c(cc(cn1)Cl)N
|
|
|
564
|
c1ccc(c(c1)N)Sc2cnccn2
|
|
|
565
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
|
566
|
c12c(nnnc1snn2)O
|
|
|
567
|
C1CCO[C@@H](C1)CS(=O)(=O)N
|
|
|
568
|
Cc1[nH]c(cn1)C(F)(F)F
|
|
|
569
|
C1(=NS(=O)(=O)N=C1O)O
|
|
|
570
|
c1ccc2c(c1)Cc3c[nH]cc3C2
|
|
|
571
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
|
572
|
C1=CC2=NNC(=O)[C@@H]2C=C1C(=O)[O-]
|
|
|
573
|
c1ccc(cc1)Sc2[nH]ncn2
|