Menu
Virtual screening for IDP 3UPD - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
|
|
|
2
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
|
3
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
|
4
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
|
5
|
c1cncc(c1Sc2nnns2)S(=O)(=O)N
|
|
|
6
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
7
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
8
|
C1CNC-2NCN3C(C12)NN[NH]3
|
|
|
9
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
10
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
11
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
|
12
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
13
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
|
14
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
|
15
|
|
|
|
16
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
|
17
|
Cc1cc(n(n1)c2c(nc[nH]2)C(=O)NC)C
|
|
|
18
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
|
19
|
CCC(=O)Oc1c(n[nH]c1N)C
|
|
|
20
|
C(C(=O)[O-])Sc1nc(=O)c(ns1)[O-]
|
|
|
21
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
|
22
|
c1ccc(cc1)c2cc([nH]c(=O)n2)c3ccccc3O
|
|
|
23
|
|
|
|
24
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
25
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
|
26
|
CCOc1c(c([nH]n1)N)C#N
|
|
|
27
|
CC(C)(C)OC(=O)Nc1c[nH]nc1
|
|
|
28
|
CSc1c(c([nH]n1)N)C#N
|
|
|
29
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
30
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
31
|
|
|
|
32
|
c1[nH]c2c(n1)NC(=O)CNC2=O
|
|
|
33
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
34
|
Cc1c2c(c(=O)n(nn2)CC(=O)NC)n(n1)C
|
|
|
35
|
Cc1n[nH]c(=O)n1Cn2c(n[nH]c2=O)C
|
|
|
36
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
|
37
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
38
|
CC1(C=C(NC(=O)N1)/C=C/c2ccccc2)C
|
|
|
39
|
C1[C@H]2[C@H]3CO[C@@H]([C@@]1(Nc4c(non4)N2)O)O3
|
|
|
40
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
41
|
c1ccc-2c(c1)CCc3c2n[nH]c3
|
|
|
42
|
Cc1c(c(n(n1)C)n2cncn2)N
|
|
|
43
|
Cc1cc(no1)c2nc(on2)C(C)(C)C
|
|
|
44
|
c1[nH]c(c(n1)C(=O)[O-])C(=O)[O-]
|
|
|
45
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
46
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
|
47
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
|
48
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
|
49
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
50
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
51
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
52
|
C[C@@H]1NC(=C2C(=N1)NC[NH]2)C(=O)N
|
|
|
53
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
|
54
|
CCOC(=O)[C@@]1(CC(=C)CO1)NC(=O)OC
|
|
|
55
|
c1cnccc1c2cc3n(n2)CCNC3=O
|
|
|
56
|
Cc1c(cc(o1)c2ccno2)S(=O)(=O)NC
|
|
|
57
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
|
58
|
c1ccc2c(c1)c(n[nH]2)n3cccc3
|
|
|
59
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
|
60
|
c1ccnc(c1)CCSc2nncs2
|
|
|
61
|
c1c[nH]c2c1NC(=O)CNC2=O
|
|
|
62
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
63
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
64
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
65
|
C1CCC(CC1)n2c(=O)c(n[nH]2)C#N
|
|
|
66
|
CC1(Cc2c(cc3c(n2)[nH]c(=O)[nH]3)CO1)C
|
|
|
67
|
CN1C2C(C(=O)[NH]1)NCCN2
|
|
|
68
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
|
69
|
COc1c2c([nH]n1)nncn2
|
|
|
70
|
C1CCN(CC1)C2NC(=O)C(NS2)N
|
|
|
71
|
Cc1c2sc(n1)NC(=O)N2
|
|
|
72
|
Cc1nc(cn1C(=O)C)NC(=O)C
|
|
|
73
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
74
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
|
75
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
76
|
C(#N)c1c(n[nH]n1)Br
|
|
|
77
|
C1NC2C(S1)C(=O)[NH]C(N2)N
|
|
|
78
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
|
79
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
80
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
|
81
|
c1ccc(cc1)[C@@H]2CNC(=O)N2
|
|
|
82
|
c1c2c(n[nH]c1=O)CCCC2
|
|
|
83
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
84
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
85
|
c1cocc1c2nc([nH]n2)N
|
|
|
86
|
C1CCC(CC1)CC2CCC[NH]2
|
|
|
87
|
CN(CCO)c1cnccn1
|
|
|
88
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
89
|
C1CCC2C(C1)[C@@H]3C4CCNCC4[C@H]2O3
|
|
|
90
|
Cc1c(c(n[nH]1)C)SCC(=O)[O-]
|
|
|
91
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
|
92
|
Cc1csc(n1)Cc2nc3ccccc3n2C
|
|
|
93
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
94
|
c1ccc-2c(c1)CSc3c2[nH]nc3O
|
|
|
95
|
CC(C)(C(=O)[O-])n1cnnn1
|
|
|
96
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
97
|
Cc1ncc2c(n1)NC(=O)NC2
|
|
|
98
|
CC(C)(C(=O)[O-])n1cncn1
|
|
|
99
|
|
|
|
100
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
101
|
CC1C(C(N[NH]1)C2CCON2)N
|
|
|
102
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
|
103
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
104
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
105
|
c1ccc(cc1)c2cn3c(n2)SCC(=O)N3
|
|
|
106
|
C1CN2C(CN1)CNC2CL
|
|
|
107
|
c1(=O)c(nsnc1Cl)N
|
|
|
108
|
C1CCn2c(nnn2)[C@@H](C1)C(=O)[O-]
|
|
|
109
|
[H]/N=c/1[nH]nc2c(n1)-c3ccccc3C2=O
|
|
|
110
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
|
111
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
112
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
|
113
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
|
114
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
115
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
|
116
|
Cc1ccc2c(n1)NCCC2=O
|
|
|
117
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
118
|
CC1=CC(=O)N=[S@@](=O)(O1)O
|
|
|
119
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
120
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
121
|
Cc1c(nc([nH]1)C=C)C(=O)C
|
|
|
122
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
|
123
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
124
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
125
|
CCOC(=O)c1c(c2c([nH]1)cccc2F)N
|
|
|
126
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
127
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
128
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
|
129
|
c1(c(non1)C(=O)[O-])c2c(non2)C(=O)[O-]
|
|
|
130
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
131
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
|
132
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
|
133
|
c1ccc(cc1)OCc2[n-]nnn2
|
|
|
134
|
c1ccc(cc1)NC(=O)[C@H]2C(=O)COC2=O
|
|
|
135
|
c1nc(no1)c2c(non2)N
|
|
|
136
|
CCn1cc(c(n1)C)c2nnc(n2C)SC
|
|
|
137
|
CC1=CC(=O)Nc2c(cccn2)O1
|
|
|
138
|
CC1NC(NO1)C2(CCCC2)NC(=O)C
|
|
|
139
|
c1cncc2c1nc(o2)Cl
|
|
|
140
|
c1ccc(cc1)Sc2ccccn2
|
|
|
141
|
c1nc(c2c(n1)NCNS2(=O)=O)N
|
|
|
142
|
Cc1cc(=O)[nH]c(n1)C2CC2
|
|
|
143
|
COC(=O)N[C@@H]1CC=CC[C@@H]1F
|
|
|
144
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
145
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
146
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
|
147
|
|
|
|
148
|
CC1=C[C@@H](n2c(ncn2)N1)c3ccccc3F
|
|
|
149
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
|
150
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
151
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
|
152
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
153
|
C1CC([NH]C1)C(=O)OCC#N
|
|
|
154
|
C1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](N2S(=O)(=O)N1)O)O)O)O
|
|
|
155
|
CN(C)c1nnnn1c2ncccn2
|
|
|
156
|
CC1CCC(CC1)S(=O)(=O)C2CN[NH]N2
|
|
|
157
|
Cc1c(cn(n1)C)S(=O)(=O)n2cccn2
|
|
|
158
|
C1CC2(C1)C[C@@](NC(=O)N2)(C(F)(F)F)O
|
|
|
159
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
160
|
c1ccc(cc1)NC(=O)[C@@H]2CC(=Nc3n2cnn3)O
|
|
|
161
|
CCS(=O)(=O)NCCn1cccn1
|
|
|
162
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
163
|
c1csc2c1NCCNC2=O
|
|
|
164
|
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)NC(=O)C)O
|
|
|
165
|
c1ccc(cc1)[C@H]2[C@@H]3CCCO[C@@H]3NC(=O)N2
|
|
|
166
|
CCO/C=C/[C@@](CNC(=O)C1CC1)(C(F)(F)F)O
|
|
|
167
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
|
168
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
|
169
|
c1c(c(c(=O)n(n1)Cc2ncno2)Cl)Cl
|
|
|
170
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
|
171
|
c1c(cnc2c1oc(=O)[nH]2)Br
|
|
|
172
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
173
|
CCSC1C2C(CN[NH]2)NCN1
|
|
|
174
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
|
175
|
Cc1nnc(o1)CCNS(=O)(=O)C
|
|
|
176
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
|
177
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
|
178
|
Cn1c2c(cn1)nc[nH]c2=O
|
|
|
179
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
|
180
|
c1c[nH]c2c1ncc(n2)Cl
|
|
|
181
|
CC[C@@H]1C2=C(CN(C2=O)CC(=O)[O-])NC(=O)N1
|
|
|
182
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
|
183
|
c1cc(c(nc1)Sc2cn[nH]n2)C(F)(F)F
|
|
|
184
|
c1ccc2c(c1)c3c(cn2)c(n[nH]3)N
|
|
|
185
|
C1C=Nc2c1c(=O)[nH]c(=O)[nH]2
|
|
|
186
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
187
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
188
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
189
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
190
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
|
191
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
|
192
|
|
|
|
193
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
|
194
|
c1ccc(cc1)Cc2nnco2
|
|
|
195
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
|
196
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
|
197
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
198
|
c1ccc(cc1)S(=O)(=O)[C@@H]2CC(=O)N2
|
|
|
199
|
c1ccc2c(c1)c(cs2)Cc3[n-]nnn3
|
|
|
200
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
|
201
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
|
202
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
203
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
204
|
CC(=O)NCC1CNCCN1
|
|
|
205
|
c1ccnc(c1)N2[C@@H](N3CCC[C@@H]3C2=O)c4cccnc4
|
|
|
206
|
c1nc(nn1CC(=O)N)C#N
|
|
|
207
|
c1cc2c(nc1)NC(=O)CO2
|
|
|
208
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
|
209
|
CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
|
|
|
210
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
|
211
|
c1ccc(c(c1)N)Sc2cnccn2
|
|
|
212
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
|
213
|
CCSc1ncc(n1C)c2cc(c3ccccc3n2)C(=O)[O-]
|
|
|
214
|
Cn1c(cnc1c2cc(=O)c3ccccc3o2)Cl
|
|
|
215
|
c1cc(sc1)c2[nH]c(nn2)N
|
|
|
216
|
c1ccc(cc1)S(=O)(=O)Nc2[n-]cnn2
|
|
|
217
|
CN(c1ccc(cc1)OC)c2c3c(ccn2)ccs3
|
|
|
218
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
219
|
Cc1csc(n1)c2cn[nH]c2N
|
|
|
220
|
Cc1c(c(n[nH]1)C)Sc2[nH]ncn2
|
|
|
221
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
|
222
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
223
|
c1c(cn[nH]c1=O)N2CCCC2
|
|
|
224
|
c1cc(sc1)c2ccn[nH]2
|
|
|
225
|
Cc1c2c(c(nnn2)[O-])n[nH]1
|
|
|
226
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
227
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
228
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
229
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
|
230
|
c1cc(oc1)c2c(nns2)C(=O)N
|
|
|
231
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
232
|
Cc1nc2c(o1)CCc3ccccc3[C@@H]2O
|
|
|
233
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
234
|
c1ccc2c(c1)Nc3c(cccn3)S2
|
|
|
235
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
236
|
CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
|
|
|
237
|
CC(C)(C)S(=O)(=O)c1cn[nH]c1N
|
|
|
238
|
c1cc(ccc1C[C@@H]2C(=NC(=NC2=O)O)O)F
|
|
|
239
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
240
|
c1cc(cc(c1)N)CC(=O)[O-]
|
|
|
241
|
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
|
|
|
242
|
Cc1c2c(c(nn1)C)c(nnc2[O-])[O-]
|
|
|
243
|
|
|
|
244
|
C1CS(=O)(=O)N[C@@H]1C(=O)[O-]
|
|
|
245
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
|
246
|
Cc1cc(=O)n([nH]1)c2[n-]nnn2
|
|
|
247
|
CC1(Nc2ccnn2C(=N1)Oc3ccccc3)C
|
|
|
248
|
C1CNC([NH]1)[C@@H]2CCCCN2C(=O)C3CC3
|
|
|
249
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
|
250
|
c1cc2c(nc1)NCCC(=O)N2
|
|
|
251
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
252
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
253
|
[H]/N=C/NC(=[NH2+])C(C(=N1)[O-])(CC)CC
|
|
|
254
|
c1ccc2c(c1)C(=N[C@@]3(N2C(=O)CC3)C(=O)Nc4nccs4)O
|
|
|
255
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
|
256
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
|
257
|
C[C@@H]1CCC2C(C3C(=O)[NH]C(=O)[NH]C3OC2=O)C1
|
|
|
258
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
259
|
C1=CC2=NNC(=O)[C@@H]2C=C1C(=O)[O-]
|
|
|
260
|
C(CS(=O)(=O)N)NC(=O)N
|
|
|
261
|
CS(=O)(=O)Nc1[n-]cnn1
|
|
|
262
|
c1ccc2c(c1)c(=O)sc(n2)N
|
|
|
263
|
C=CCNc1nc(ns1)N
|
|
|
264
|
c1ccc(cc1)[C@@H]2NC(=[NH2+])Nc3n2c4ccccc4n3
|
|
|
265
|
C1[C@H]2[C@H]3CO[C@@H]([C@@H]1NC(=O)N2)O3
|
|
|
266
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
267
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
268
|
Cc1ccc(cc1)N(CC2=NCNC2)c3cccc(c3)O
|
|
|
269
|
CCn1c(ccn1)SCC(=O)[O-]
|
|
|
270
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
|
271
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
|
272
|
CC[C@@H](C(=O)N1CCC=CC1)Nc2cccc(c2)OC
|
|
|
273
|
C1CCC(CC1)C2C(=O)OC(=O)[NH]N2
|
|
|
274
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)o2
|
|
|
275
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
276
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
277
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
278
|
Cc1c(sc(n1)Cc2nc(cs2)O)C
|
|
|
279
|
c1c(c(n[nH]c1=O)[O-])CC(=O)[O-]
|
|
|
280
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
281
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
282
|
CC1=C[C@@]23C=CC=CC2=CN=C3C=C1
|
|
|
283
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
|
284
|
C1CCC(CC1)N2CNc3nnnn3C2
|
|
|
285
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
286
|
CCCCS(=O)(=O)c1c(nc(s1)SC)N
|
|
|
287
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
|
288
|
Cc1cc(n(n1)C(=O)NC)C
|
|
|
289
|
c1nc-2[nH]c(c(nc2n1)N)[O-]
|
|
|
290
|
C[C@@H](Cc1ccco1)NS(=O)(=O)C
|
|
|
291
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
292
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
|
293
|
c1ccc(cc1)[C@@H]2[C@@H]3C(=NC(=O)N2)NC(=O)N3
|
|
|
294
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
295
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
296
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
|
297
|
C[C@@H]1C2C(CC(NC2[O-])OC(=O)C)C(=N1)OC(=O)C
|
|
|
298
|
c1ccc2c(c1)N3CCCN2c4c3cc(nn4)Cl
|
|
|
299
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
|
300
|
c1cc2c(=O)[nH]nc(n2c1)[O-]
|
|
|
301
|
Cc1[nH]c(c(n1)Cl)Cl
|
|
|
302
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
303
|
c1ccc(cc1)Cn2cnnn2
|
|
|
304
|
c1ccc(cc1)NC(=O)N[C@@H]2[C@@H](N=NS2)C(=O)[O-]
|
|
|
305
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
306
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
|
307
|
C1NC2N(N1)[C@@H]3C[C@](N2)([C@H]4OC[C@@H]3O4)O
|
|
|
308
|
C1C[NH+]=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
|
|
|
309
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
|
310
|
Cc1c2c([nH]n1)C(=O)N([C@@H]2c3ccco3)C
|
|
|
311
|
CSC1C2C(CCN1)N[NH]N2
|
|
|
312
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
|
313
|
COc1cc(n[nH]c1=O)Cl
|
|
|
314
|
Cc1nc(co1)/C=C(C)/CO
|
|
|
315
|
Cc1c2c(onc2c(=O)[nH]n1)C
|
|
|
316
|
c1cnccc1c2cc3c(o2)CCNC3=O
|
|
|
317
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
318
|
C[C@@H]1c2nc(nn2[C@](C(=O)O1)(C)CC#C)[C@@H](C)O
|
|
|
319
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
320
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
|
321
|
c1cc(sc1)c2[nH]ccn2
|
|
|
322
|
c1cc(c(nc1)n2cncn2)N
|
|
|
323
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
324
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
325
|
C1CC1NC(=O)C2(CC2)C#N
|
|
|
326
|
|
|
|
327
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
|
328
|
Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O
|
|
|
329
|
c1ccc2c(c1)nc(o2)c3ccco3
|
|
|
330
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
331
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
332
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
333
|
CCn1c(ccn1)C(=O)n2ccnc2C
|
|
|
334
|
Cncc([nH]/c1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
|
335
|
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
|
|
|
336
|
c1c(cn[nH]1)CS(=O)(=O)N
|
|
|
337
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
338
|
c1cc(cnc1)C2=NC(=O)[C@@H](C=C2)C#N
|
|
|
339
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
|
340
|
c1nc([nH]n1)c2c(non2)N
|
|
|
341
|
CSc1nc(c(s1)C#N)N
|
|
|
342
|
Cc1c(sc(n1)Cn2cnc(c2Cl)Cl)C(=O)C
|
|
|
343
|
|
|
|
344
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
|
345
|
C[C@@H](Nc1nccs1)n2cncn2
|
|
|
346
|
C=CCNC1CCNC(N1)N
|
|
|
347
|
CCCCCCC1CN[NH]N1
|
|
|
348
|
c1cnn2c1c(=O)n(nc2)CC(=O)[O-]
|
|
|
349
|
c1ccc(cc1)n2c3ccsc3cn2
|
|
|
350
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
351
|
c1ccc(cc1)[C@@H]2OCc3c(ccc(n3)CO)O2
|
|
|
352
|
c1cc2c(nc1)[C@@H](O[C@@H]2O)O
|
|
|
353
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
|
354
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
|
355
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
356
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
357
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
|
358
|
c1cc2c(c(c1N)N)non2
|
|
|
359
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
360
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
361
|
Cc1c(sc(n1)C)S(=O)(=O)N2CCCCC2
|
|
|
362
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
|
363
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
364
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
|
365
|
c1cnn(c1)c2cncc(n2)N3CCCC3
|
|
|
366
|
c1ccc(cc1)Nc2ccccn2
|
|
|
367
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
368
|
Cc1cnc(o1)CSc2ccccc2
|
|
|
369
|
COc1cc(ncn1)N2CCNC(=O)C2
|
|
|
370
|
CCc1cnnn1c2c(non2)N
|
|
|
371
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
|
372
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
|
373
|
[H]/N=c/1onc(s1)c2c(non2)N
|
|
|
374
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
375
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
376
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
377
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
|
378
|
Cn1cnc2c1S(=O)(=O)NCN2
|
|
|
379
|
CSc1c(cccn1)C#N
|
|
|
380
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
381
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
|
382
|
c1ccc2c(c1)nnn2c3nnns3
|
|
|
383
|
COc1nc(nc(n1)Sc2ccc(cc2)N)OC
|
|
|
384
|
C1CC(OC1)C2C3C(CNNC3OC2C4CCCO4)N
|
|
|
385
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
|
386
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
387
|
Cc1nc(no1)CSc2nncs2
|
|
|
388
|
CCOC(=O)C1CC(=O)OC(=O)[NH]1
|
|
|
389
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
390
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
391
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
392
|
CS(=O)(=O)Nc1ccccn1
|
|
|
393
|
Cc1cc(=O)n2ccc3c(c2n1)oc(n3)C
|
|
|
394
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
|
395
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
|
396
|
CCC1C(=O)NCCNC1=O
|
|
|
397
|
|
|
|
398
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
399
|
CC(=O)n1c(c(nn1)CC#N)c2ccccc2
|
|
|
400
|
c1c2c(n[nH]c1=O)CCOC2
|
|
|
401
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
|
402
|
Cc1nc-2c(s1)CCc3c2cccc3
|
|
|
403
|
[H]/N=C/N[C@@]2(c3ccccc3C(=O)[C@]2(N1)O)O
|
|
|
404
|
CC1=CC(=O)O[C@@H]1Cc2ccncc2
|
|
|
405
|
C[C@@H]1CCC2C(C(=O)[NH]C(N2)N)N1
|
|
|
406
|
CC(=O)c1cn2c(n1)O[C@@](C2)(C)CO
|
|
|
407
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
|
408
|
Cc1cnc(s1)Nc2cnc(nc2)SC
|
|
|
409
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
410
|
CNc1cnnc2c1cccc2
|
|
|
411
|
COC(=O)c1c2c(n3cnnc3n1)OCC2
|
|
|
412
|
Cc1c(c(on1)N)Sc2ccc(cc2)Br
|
|
|
413
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
|
414
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
415
|
c1c(c2nc(=O)[nH]c(=O)n2[nH]1)Br
|
|
|
416
|
c1ccc(cc1)NC(=O)c2[n-]ncn2
|
|
|
417
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
418
|
C(#N)c1c(c([nH]c1N)Br)C#N
|
|
|
419
|
CC(=O)Nn1c2ccccc2nn1
|
|
|
420
|
c1ccc(cc1)c2cc3c(nccn3n2)Cl
|
|
|
421
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
|
422
|
Cc1c2c(c(cn1)N)COC(O2)(C)C
|
|
|
423
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
424
|
c1c([nH]nn1)SCC(=O)N
|
|
|
425
|
CC1NCC2C(N1)C(NC(N2)N)[O-]
|
|
|
426
|
c1cc(c(nc1)n2cccn2)N
|
|
|
427
|
Cc1cc(n2c(n1)ncn2)[O-]
|
|
|
428
|
c1ccc(cc1)N2CC(=O)Nc3ccccc3S2(=O)=O
|
|
|
429
|
c1cc(cc(c1)OCc2cscn2)N
|
|
|
430
|
c1c2c3c(c(=O)ncn3CC2)c(n1)Cl
|
|
|
431
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
432
|
CC(=O)NC1CCC2C(C1)NCNN2
|
|
|
433
|
C([C@@H](CO)O)N1C(=O)SC(N1)N
|
|
|
434
|
C1C[NH]C2C1C(=O)CCNC2=O
|
|
|
435
|
c1cnnc(n1)c2nccnn2
|
|
|
436
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
|
437
|
CC1=NC2NC(CN2C(=O)C1(CL)CL)CL
|
|
|
438
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
439
|
CCOC(=O)Cn1c(noc1=O)Cc2ccccc2
|
|
|
440
|
CC1=CC(=O)Nc2cncnc2N1
|
|
|
441
|
CC(=O)Nc1c2cn[nH]c2ncn1
|
|
|
442
|
|
|
|
443
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
|
444
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
|
445
|
c1ncn(n1)C(=O)NC2CCCCC2
|
|
|
446
|
C=CCc1cc2nccn2cn1
|
|
|
447
|
CCC(=O)Cc1cnccn1
|
|
|
448
|
C[C@@H]1COC(=N1)C2CCCCN2
|
|
|
449
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
|
450
|
c1nc2c(s1)c(=O)[nH][nH]c2=O
|
|
|
451
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
|
452
|
COC(=O)c1cc2c(cccn2)oc1=O
|
|
|
453
|
c1ccc-2c(c1)CCc3c2nns3
|
|
|
454
|
CCOC(=O)c1c([nH]n2c1nnc2C(F)F)C(F)(F)F
|
|
|
455
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
456
|
Cc1nnc(o1)CSc2ccccn2
|
|
|
457
|
CC1=N[C@@H]2C=CC=C[C@@H]2C(=O)N1n3cccc3
|
|
|
458
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
459
|
CNC(=O)N(c1ccccc1)C2=NCCCCC2
|
|
|
460
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
|
461
|
CN1C=NS(=O)(=O)c2c1nc(nc2N)SC
|
|
|
462
|
c1cc(ccc1C2=CCn3c(nnn3)N2)F
|
|
|
463
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
464
|
c1cc(nc2c1CNCC2)Cl
|
|
|
465
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
|
466
|
Cc1ccc(nc1)n2cnnn2
|
|
|
467
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
468
|
C[C@@H]1C2=C(COC2=O)NC(=O)N1
|
|
|
469
|
Cc1ccc2c(c1)[nH]/c(=Nc3nc(cc(n3)O)C)/o2
|
|
|
470
|
Cc1c(c(=O)n([nH]1)C)CCO
|
|
|
471
|
Cc1[nH]cc(n1)Br
|
|
|
472
|
C1C[C@@H]2C(=O)NCCS(=O)(=O)N2C1
|
|
|
473
|
|
|
|
474
|
c1ccc(cc1)S(=O)(=O)n2cncn2
|
|
|
475
|
c1nc(nn1CCC#N)N=N=N
|
|
|
476
|
c1c(c(n[nH]1)n2cnnc2)C(=O)[O-]
|
|
|
477
|
C[C@@H]1CNC(=O)C2=C1N=C(C2)c3ccncc3
|
|
|
478
|
c1ccc2c(c1)nc(o2)n3cnc(n3)C#N
|
|
|
479
|
Cc1c(c(on1)C)c2nc(no2)CN3CCOCC3
|
|
|
480
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
481
|
Cc1cc(nc2c1c(on2)N)C
|
|
|
482
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
|
483
|
C1[C@@]2([C@]1(C(=O)N=C2N)C#N)C#N
|
|
|
484
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
|
485
|
Cc1cc2nc(nc(=O)n2o1)Oc3ccccc3
|
|
|
486
|
c1ccc2c(c1)N=C([C@@H](O2)CC(=O)[O-])O
|
|
|
487
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
488
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
|
489
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
|
490
|
Cc1cc(nc(n1)Nc2cc(on2)C)C#N
|
|
|
491
|
c1cnn2c1ncc3c2C(=O)OCC3
|
|
|
492
|
c1ccc(cc1)c2c3c(n[nH]2)CC[NH2+]C3
|
|
|
493
|
C1C[C@@]23CC=CC[C@]2(C1)NC3=O
|
|
|
494
|
C=c1/c(=C/c2ccccc2O)/c(=O)o[nH]1
|
|
|
495
|
C1CC(C(CC1O)C2=NCCC2)O
|
|
|
496
|
CC1=C[C@@H]2c3c(non3)C=CC2=N1
|
|
|
497
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
498
|
C1CCC2C(C1)NC3C(N2)NSN3
|
|
|
499
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
500
|
CS(=O)(=O)Nc1ncccn1
|
|
|
501
|
c1cc2ccn(c2nc1)CC(=O)[O-]
|
|
|
502
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
503
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
|
504
|
CN(C)C(=O)c1coc2c1nc3ccccc3n2
|
|
|
505
|
c1ccc(c(c1)C(F)(F)F)/N=c/2[nH]cnc(n2)N
|
|
|
506
|
c12c(c(n[nH]c1=O)[O-])non2
|
|
|
507
|
Cc1nc-2n(n1)CC(=Nc3c2cccc3)O
|
|
|
508
|
|
|
|
509
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
510
|
COC(=O)Nc1cn2ccccc2n1
|
|
|
511
|
c1cnc(nc1c2nccs2)N
|
|
|
512
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
513
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
|
514
|
C#CCOc1ccc(cc1)F
|
|
|
515
|
CC1=C(CC(=O)N1)C(=O)OC
|
|
|
516
|
CCOC(=O)c1[nH]nc(n1)N
|
|
|
517
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
518
|
CCN1[C@@H]2[C@@H](NS(=O)(=O)N2)N(C1=O)CC
|
|
|
519
|
CC(=O)N1CCCn2c1nnc2SC
|
|
|
520
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
|
521
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
|
522
|
c1cc(sc1)CCNc2ncccn2
|
|
|
523
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
524
|
|
|
|
525
|
CC(=O)NC1NCNC(N1)N
|
|
|
526
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
|
527
|
Cc1c(csn1)C(=O)NC
|
|
|
528
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
529
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
|
530
|
c1ccc2c(c1)nc3c(n2)C(=O)C(=C(C3=O)O)[O-]
|
|
|
531
|
c1c2c([nH]c1C(=O)[O-])nco2
|
|
|
532
|
COc1ccccc1/N=c/2cccccc2O
|
|
|
533
|
COC(=O)[C@]12C(=NC=N1)C=NC=N2
|
|
|
534
|
Cc1c(cccn1)C2=NCCC2
|
|
|
535
|
Cn1ccc(=NC(=O)c2ccccc2)cc1
|
|
|
536
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
537
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
538
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
539
|
c1ccc2ccccc(c1)C2C(=O)[O-]
|
|
|
540
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
|
541
|
CC(C)(C#Cc1cncnc1)OC(=O)NC
|
|
|
542
|
c1cc2c(c(c1)Cl)nc[nH]2
|
|
|
543
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
544
|
CC(=O)N[C@@H]1CCC=C1C2=CCC[C@H]2NC(=O)C
|
|
|
545
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
|
546
|
C1Cc2c(nn(c2N)CCC#N)C1
|
|
|
547
|
Cn1c2c(cn1)c(cc(n2)c3ccco3)C(F)F
|
|
|
548
|
c1cc(c(nc1)c2ccsc2)N
|
|
|
549
|
c1csc2c1n3c(c(cn3)C(=O)[O-])nc2Cl
|
|
|
550
|
c1ccc(cc1)c2c3c([nH]n2)CCC3
|
|
|
551
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
|
552
|
|
|
|
553
|
Cc1nnc(o1)[C@H]2CCN(C2)C(=O)C
|
|
|
554
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
|
555
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
|
556
|
c1ccnc(c1)/C=C/c2ccco2
|
|
|
557
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
558
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
|
559
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
560
|
Cc1c(c(sn1)NC)C(=O)/N=c/2
(ccs2)C
|
|
|
561
|
CCOC(=O)c1c([nH]c(=O)s1)c2ccco2
|
|
|
562
|
Cc1cc(no1)c2nnc(o2)N
|
|
|
563
|
Cc1c(c(n(n1)C)Sc2ccccn2)N
|
|
|
564
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
|
565
|
c1cc(ccc1NC(=O)c2cc(=O)[nH+]c(s2)N)F
|
|
|
566
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
|
567
|
Cc1c(c(n(n1)C)C)Nc2nc([nH]n2)N
|
|
|
568
|
C(CS(=O)(=O)c1c(c(nc(c1Cl)F)F)F)O |