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Virtual screening for IDP 3N2I - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
2
|
CC1NCC2C(N1)C(NC(N2)N)[O-]
|
|
|
3
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
|
4
|
Cc1nc(c2n1nc[nH]c2=O)CC(C)C
|
|
|
5
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
6
|
Cn1cc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
7
|
c1c2c(c(nc1N)O)n[nH]n2
|
|
|
8
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
|
9
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
|
10
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
11
|
c1cn2cc(nc2cn1)C(=O)[O-]
|
|
|
12
|
c1nc2n(n1)[C@@H](C(=O)N2)CC(=O)[O-]
|
|
|
13
|
Cc1nnc(o1)CSc2ccccn2
|
|
|
14
|
CC(=O)NC1CCC2C(C1)NCNN2
|
|
|
15
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
|
16
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
17
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
18
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
19
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
20
|
|
|
|
21
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
22
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
23
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
24
|
|
|
|
25
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
26
|
Cc1c(c(c([nH]1)C)C(=O)[O-])c2nnc(o2)C
|
|
|
27
|
Cc1nnc(s1)Sc2cc(nc(n2)N)Cl
|
|
|
28
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
29
|
C1NC2C(C(N1)N)NCNC2N
|
|
|
30
|
c1[nH]c2c(n1)NC(=O)CNC2=O
|
|
|
31
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
32
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
|
33
|
c1cc2c(c(c1N)N)non2
|
|
|
34
|
c1c2c(nc(nn2cn1)Cl)Cl
|
|
|
35
|
c1ccc(cc1)[C@@H]2CC(=O)Nc3c2snc3C(=O)[O-]
|
|
|
36
|
c1ccc(cc1)n2cnc(nc2=[NH2+])N
|
|
|
37
|
Cc1c(sc2n1ncn2)c3csc(n3)C
|
|
|
38
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
39
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
40
|
CNC1C(=O)NC(SN1)SC2NC(=O)C(NS2)NC
|
|
|
41
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
|
42
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
43
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
|
44
|
C1CC(=C(N[C@@H]1C(F)(F)F)[O-])C(=O)[O-]
|
|
|
45
|
C[C@@H]1NC(=C2C(=N1)NC[NH]2)C(=O)N
|
|
|
46
|
COC(=O)/C=c/c(=O)n2c(s1)ncn2
|
|
|
47
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
|
48
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
49
|
CC1([C@@H](C(=C(O1)N)C(=O)N)C2CCC(CC2)CL)C
|
|
|
50
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
|
51
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
|
52
|
C1C[NH]C2C1C(=O)CCNC2=O
|
|
|
53
|
c1conc1c2c(nco2)C(=O)[O-]
|
|
|
54
|
COC(=O)c1cc(=O)n2c(s1)ncn2
|
|
|
55
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
56
|
Cc1nc(c(o1)Sc2ccc(cc2)Cl)C#N
|
|
|
57
|
c1nc(c2c(ncn2n1)C#N)[O-]
|
|
|
58
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
59
|
C1C(=O)CC2NN[NH]N2C1N
|
|
|
60
|
Cc1[nH]c(=O)c2c(n1)N=C(C[C@@H]2c3ccccc3)O
|
|
|
61
|
|
|
|
62
|
|
|
|
63
|
C1CCn2c(nnn2)[C@@H](C1)C(=O)[O-]
|
|
|
64
|
CCCCC1C(OC(N1)C)CC=C
|
|
|
65
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
|
66
|
CC(C)(C(=O)[O-])n1cncn1
|
|
|
67
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
|
68
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
69
|
C1CCN(C1)S(=O)(=O)c2c(nc(nn2)[O-])[O-]
|
|
|
70
|
CC1(c2c([nH]c(=O)s2)Sc3c1sc(n3)[O-])C
|
|
|
71
|
Cc1ncc(o1)Sc2cnc(s2)c3ccccc3
|
|
|
72
|
CC1NC(NO1)C2(CCCC2)NC(=O)C
|
|
|
73
|
Cc1cc(on1)c2c(nco2)C(=O)[O-]
|
|
|
74
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
75
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
76
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
77
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
78
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
79
|
Cn1c2c(c(=O)[nH]c1=O)non2
|
|
|
80
|
C1CCc2c(nc(nn2)N)C1
|
|
|
81
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
82
|
c1c(cc(nc1C(=O)N)C(=O)N)[O-]
|
|
|
83
|
c1ccc(cc1)C2OCc3c(non3)CO2
|
|
|
84
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
|
85
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
86
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
87
|
Cn1c(ccn1)c2c(snn2)C(=O)[O-]
|
|
|
88
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
89
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
90
|
Cc1c(c(nc(=O)o1)[O-])c2ccccc2F
|
|
|
91
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
|
92
|
Cc1nc2c(o1)CCc3ccccc3[C@@H]2O
|
|
|
93
|
Cn1c2c(cn1)nc[nH]c2=O
|
|
|
94
|
CSc1c2c3c(c(cc(=O)[nH]3)[O-])sc2nc(n1)N
|
|
|
95
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
|
96
|
c1c[nH]c2c1cc3c(c2)OCO3
|
|
|
97
|
Cc1c2c(c(nn1)[O-])n[nH]n2
|
|
|
98
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
99
|
Cc1cccc(c1n2cnc(nc2=O)NC)C
|
|
|
100
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
101
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
102
|
Cc1nc2nncn2c(n1)[O-]
|
|
|
103
|
CC(=O)N[C@@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
104
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
|
105
|
Cc1nc(on1)[C@@H](C)Nc2ccc(nc2)OC
|
|
|
106
|
CCc1ccc(s1)c2c3c(ncnc3on2)NC
|
|
|
107
|
COc1c2c(ncn1)SCC(=N2)N
|
|
|
108
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
109
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
|
110
|
c1ccc2c(c1)C(=O)[C@@]3([C@@]2(OC(=C3C(=O)[O-])CO)O)O
|
|
|
111
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
112
|
Cc1nc(c(s1)c2nc[nH]n2)C(F)(F)F
|
|
|
113
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
|
114
|
CN(C)c1nnnn1c2ncccn2
|
|
|
115
|
c1c2c(nc(n1)N)SCC2
|
|
|
116
|
c1csc2c1c(=O)oc(=O)[nH]2
|
|
|
117
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
118
|
CC1[NH]C(=O)C(CN1)CC=C
|
|
|
119
|
Cn1c2c(cn1)c(ncn2)n3cnc4c3cccc4
|
|
|
120
|
C[C@@H](n1cncn1)Oc2cccc(c2)Cl
|
|
|
121
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
122
|
Cc1cc(=O)oc2c1c(n[nH]2)C
|
|
|
123
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
|
124
|
c1c2c(nc(n1)N)CCOC2
|
|
|
125
|
c1cnc(nc1)Sc2cnnc(c2Cl)[O-]
|
|
|
126
|
C1NC(C2N1CCC(=O)N2)C(=O)N
|
|
|
127
|
CN(C)S(=O)(=O)[N-]c1nc(nc(n1)Cl)Cl
|
|
|
128
|
CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
|
|
|
129
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
130
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
131
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
|
132
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
133
|
c1(c(non1)C(=O)[O-])c2c(non2)C(=O)[O-]
|
|
|
134
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
|
135
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
|
136
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
137
|
C(#N)c1c(n[nH]n1)Br
|
|
|
138
|
c1ccc(c(c1)n2c3c(cn2)C4=NCCCN4C(=O)N3)Cl
|
|
|
139
|
COc1ccc(cc1)c2cn3c(s2)ncn3
|
|
|
140
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
|
141
|
CC1NC(ON1)[C@@H]2CCC=CC2
|
|
|
142
|
Cc1c(nccn1)c2ccnn2S(=O)(=O)c3ccccc3
|
|
|
143
|
Cc1ncc(c(n1)N)CSc2nc(ns2)SC
|
|
|
144
|
CCOC(=O)[C@@H]1[C@@](C(=NC(=O)N1)[O-])(C)Br
|
|
|
145
|
CC[C@@H](c1nc(no1)C)NCc2cn(nc2C)CC=C
|
|
|
146
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
147
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
|
148
|
C1NC2C(C(N1)[O-])NC(NN2)[O-]
|
|
|
149
|
c1nc([nH]n1)c2c(non2)N
|
|
|
150
|
C1CCC2C(C1)CC=N[C@@H]2CC(=O)[O-]
|
|
|
151
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
152
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
153
|
CCOC=C(c1nnco1)c2nnco2
|
|
|
154
|
CCOC(=O)c1[nH]nc(n1)N
|
|
|
155
|
Cc1c2ccccc2nc(n1)C
|
|
|
156
|
Cc1[nH]c(=O)c2c(n1)CCC2
|
|
|
157
|
Cc1nc(c2cccn2n1)Cl
|
|
|
158
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
159
|
c1nc2n(n1)C(=O)CC(=N2)[O-]
|
|
|
160
|
C1[C@H]2[C@H]3CO[C@@H]([C@@]1(Nc4c(non4)N2)O)O3
|
|
|
161
|
|
|
|
162
|
Cc1c(c(n[nH]1)O)[C@@H](c2ccco2)C(C#N)C#N
|
|
|
163
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
164
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
165
|
|
|
|
166
|
c1nc(c2n1CC(=O)NC2)C(=O)N
|
|
|
167
|
Cc1cc(nc2c1c(n[nH]2)S(=O)(=O)N3CCC(CC3)C)C
|
|
|
168
|
|
|
|
169
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
|
170
|
c1ccc(cc1)N2Cc3nc(=O)[nH]n3C2=O
|
|
|
171
|
Cc1cc(nc(n1)Sc2c(c(nc(c2F)F)F)F)C
|
|
|
172
|
CC(=O)N1Cc2c([nH]cn2)C[C@H]1C(=O)OC
|
|
|
173
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
174
|
Cn1c2c(cn1)c(ncn2)n3cccn3
|
|
|
175
|
Cc1[nH]c(=O)c(c(n1)Sc2cccn2C)C(F)(F)F
|
|
|
176
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
177
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
|
178
|
Cc1cc(=O)nc2n1n(c(c2)[O-])c3ccccc3
|
|
|
179
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
|
180
|
Cc1nc(n(n1)C(=O)c2cccs2)C
|
|
|
181
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
182
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
|
183
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
184
|
C[C@@H](c1ccccc1)N(C)Cc2nccn2C
|
|
|
185
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
186
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
187
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
|
188
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
189
|
C[C@@H](c1ccnc(n1)N)n2cncn2
|
|
|
190
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
191
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
192
|
Cc1c(sc(n1)[O-])S(=O)(=O)N(C)c2ccccc2
|
|
|
193
|
|
|
|
194
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
195
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
196
|
c1cc(sc1/C=C/2C(=NC(=O)N2)[O-])Br
|
|
|
197
|
CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
|
|
|
198
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
199
|
C[C@@H](n1ccnc1)OCc2ccc(cc2)F
|
|
|
200
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
201
|
CC(C)C1=C2CCCC[C@@H]2NC(=O)N1
|
|
|
202
|
CCn1/c(=N/C(=O)C)/sc(n1)SCc2ccccc2
|
|
|
203
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
|
204
|
CCc1nc(cs1)CSc2nccn2C
|
|
|
205
|
Cc1c-2c(on1)CCc3c2n(nc3C(=O)[O-])C
|
|
|
206
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
207
|
CC1CC(=O)CC(O1)C(=O)[O-]
|
|
|
208
|
C(C1[N-]NNN1)C2[N-]NNN2
|
|
|
209
|
CCOC(=O)C1=C(NC(=O)N[C@@H]1C)c2cccs2
|
|
|
210
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
211
|
COC(=O)Nc1cn2c(n1)ccc(n2)C(=O)N
|
|
|
212
|
Cc1cnc(nc1c2ncnn2C)N
|
|
|
213
|
CC(C)(C)OC(=O)N1Cc2c(nc[nH]2)C1
|
|
|
214
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
215
|
C(#N)c1c(non1)Oc2c(non2)C#N
|
|
|
216
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
217
|
c1cnnc2c1-c3c(non3)CC2
|
|
|
218
|
c1c2c(nc(n1)N)CCCC2=O
|
|
|
219
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
|
220
|
Cc1c(c(c2ncnn2n1)[O-])Cl
|
|
|
221
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
222
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
|
223
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
224
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
|
225
|
Cn1c(=O)n2cc(ccc2n1)S(=O)(=O)N3CCCCC3
|
|
|
226
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
227
|
Cc1[nH]c(=O)c2c(n1)C[NH2+]C2
|
|
|
228
|
CN1CC2C(N1)CNN(C2=O)C
|
|
|
229
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
230
|
c1csc2c1ncnc2N
|
|
|
231
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
|
232
|
C[C@@H]1C[C@@H](n2c(ncn2)N1)c3ccccc3
|
|
|
233
|
C1NC2C(S1)C(=O)[NH]C(N2)N
|
|
|
234
|
C(#N)c1c(c([nH]c1N)Br)C#N
|
|
|
235
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
|
236
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
237
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
238
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
|
239
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
240
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
|
241
|
|
|
|
242
|
Cc1c(c(n[nH]1)C)SCC(=O)[O-]
|
|
|
243
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
|
244
|
|
|
|
245
|
C([C@@H](CO)O)N1C(=O)[NH+]C(S1)N
|
|
|
246
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
|
247
|
CC(C)(C(=O)[O-])n1cnnn1
|
|
|
248
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2ccno2
|
|
|
249
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
250
|
CN1CCN=C(C=C1c2ccccc2O)C(=O)[O-]
|
|
|
251
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
252
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
|
253
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
254
|
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
|
|
|
255
|
Cc1nc(no1)CSc2ccccc2
|
|
|
256
|
CCOC(=O)C1=NC(=O)N=C1Cn2ccnc2
|
|
|
257
|
|
|
|
258
|
C[C@@H]1Cc2nc(cc(=O)n2N1c3ccccc3)[O-]
|
|
|
259
|
C[C@]12CN(C[C@H]1NC(=O)c3ccccc3C2=O)C(=O)C4CC4
|
|
|
260
|
COC(=O)CCc1c[nH]cn1
|
|
|
261
|
c1ccc2c(c1)c(=O)c-3nc(=O)nc23
|
|
|
262
|
CC1C(CN2C1C(=O)[NH]CN2)[O-]
|
|
|
263
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
264
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
|
265
|
c1ccc2c(c1)c3c(c(=O)s2)nc[nH]3
|
|
|
266
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
|
267
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
268
|
CCOc1nc(nc(n1)N)C
|
|
|
269
|
|
|
|
270
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
271
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
272
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
273
|
c1cc(oc1/C=C/2C(=NC(=O)N2)[O-])N3CCCC3
|
|
|
274
|
C(C#N)c1nc(nc(n1)N)N
|
|
|
275
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
276
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
|
277
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
|
278
|
Cn1c2c(cn1)[C@@H](CC(=N2)O)C3=Cc4ccccc4OC3
|
|
|
279
|
c12c(non1)N[C@@H]3[C@@H](N2)NC(=O)N3
|
|
|
280
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
|
281
|
Cc1ccc-2nc(nc2c3c1[nH]c(=O)[nH]3)N(C)C
|
|
|
282
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
|
283
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
284
|
C1CCc2c([nH]c(=O)[nH]2)CC1
|
|
|
285
|
Cc1ccc(cc1)n2c3c[nH]c(=O)nc3cn2
|
|
|
286
|
Cc1nc(no1)CSc2nncs2
|
|
|
287
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
288
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
289
|
Cc1ccc(cc1)/N=c/2c3c[nH]nc3[nH]cn2
|
|
|
290
|
Cc1nnc2n1nc(n2c3ccccc3)[O-]
|
|
|
291
|
C1NC2N(N1)[C@@H]3C[C@](N2)([C@H]4OC[C@@H]3O4)O
|
|
|
292
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
293
|
c1ccc(cc1)OCc2nnco2
|
|
|
294
|
CC(=O)n1c(ncn1)SC
|
|
|
295
|
|
|
|
296
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
297
|
CCO[C@@H](C#Cc1ccccc1)n2cncn2
|
|
|
298
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
299
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
300
|
C[C@@H]1CCC2C(C(=O)[NH]C(N2)N)N1
|
|
|
301
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
|
302
|
CC(C)(C)OC(=O)Nc1cc2c(nc1)n(cn2)C
|
|
|
303
|
CCS(=O)(=O)c1ccc2c(c1)nco2
|
|
|
304
|
Cc1cc(=O)oc2c1c(nc(n2)C)[O-]
|
|
|
305
|
|
|
|
306
|
C[C@@H]1c2nc(nn2[C@](C(=O)O1)(C)CC#C)[C@@H](C)O
|
|
|
307
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
|
308
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
309
|
c1nc-2c3nc(on3cnc2n1)[O-]
|
|
|
310
|
c1cc(oc1)c2c[nH]c(=O)nc2N
|
|
|
311
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
|
312
|
Cc1c(sc(n1)C)c2cc[nH]n2
|
|
|
313
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
314
|
c1[nH]c(=O)c2c(n1)CCN(C2)[C@@H]3CCOC3=O
|
|
|
315
|
|
|
|
316
|
C/C(=N/c1nc(nn1C(=O)N)N)/O
|
|
|
317
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
|
318
|
c1[nH]c(=O)c2c(n1)NC(=O)C2
|
|
|
319
|
|
|
|
320
|
c1c2cn[nH]c2cnc1Cl
|
|
|
321
|
c1c[nH]c2c1NC(=O)CNC2=O
|
|
|
322
|
c1c(nc2cnnn2c1[O-])[O-]
|
|
|
323
|
Cc1c(c(on1)c2c(nns2)C)C(=O)[O-]
|
|
|
324
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
325
|
CC1=CC(=NC2=NNC(=O)[C@@H]12)C(=O)[O-]
|
|
|
326
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
|
327
|
c1ccc2c(c1)C(=O)OS(=O)(=O)N2
|
|
|
328
|
c1ccc(cc1)[C@H]2[C@@H]3CCCO[C@@H]3NC(=O)N2
|
|
|
329
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
330
|
c1c(c(c(=O)n(n1)Cc2ncno2)Cl)Cl
|
|
|
331
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
|
332
|
Cc1nc2n(n1)[C@@H](c3cc(ccc3S2)N)O
|
|
|
333
|
CCSc1cc(ncn1)N
|
|
|
334
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
335
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
336
|
COc1c2c(ncn1)CCNC2
|
|
|
337
|
CC1C(C(ON1)C)CC2NNC(O2)N
|
|
|
338
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
|
339
|
c1ccc(cc1)c2nncnn2
|
|
|
340
|
c1cc(=O)n(cc1C(F)(F)F)Cc2nnnn2C3CC3
|
|
|
341
|
C=CCNc1nc(ns1)N
|
|
|
342
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
|
343
|
Cc1nc(c(o1)n2cnc3c2cccc3)C#N
|
|
|
344
|
c1c([nH]nn1)SCC(=O)N
|
|
|
345
|
C1c2nnnn2Cc3n1nnn3
|
|
|
346
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
|
347
|
CCOC(=O)c1c([nH]c(=O)[nH]1)C
|
|
|
348
|
C(#N)c1c(c2c(nc1N)non2)N
|
|
|
349
|
C1C(C(=O)[NH]C(=O)O1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
350
|
c1cc(oc1)[C@@H](c2c(n3c(s2)ncn3)[O-])N4CCOCC4
|
|
|
351
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
352
|
c1ccc(cc1)C2=C3[C@@H](CCC2)C(=O)C(=O)O3
|
|
|
353
|
COC(=O)c1c(snn1)[N-]S(=O)(=O)c2ccccc2
|
|
|
354
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
355
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
356
|
C1C[NH+]=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
|
|
|
357
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
|
358
|
c1ccc2c(c1)-c3c(cn[nH]3)CC(=O)N2
|
|
|
359
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
360
|
c1ccc(cc1)NCC(=O)[O-]
|
|
|
361
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
|
362
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
|
363
|
Cc1cc(no1)CSc2ccccn2
|
|
|
364
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
|
365
|
CCOC(=O)c1c(ocn1)[C@@H]2COC(O2)(C)C
|
|
|
366
|
c1ccc(c(c1)Nc2c3c([nH]cn3)ncn2)O
|
|
|
367
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
|
368
|
C/C(=N/Cc1ccc(cc1)F)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
369
|
CC1NC2C(NCNC2NN1)N
|
|
|
370
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
|
371
|
CCO[C@@H](C=C)n1cncn1
|
|
|
372
|
c1ccc(cc1)c2cncnc2
|
|
|
373
|
[H]/N=C/N(C2C(S1)C(=O)NC([NH]2)C)C3CCCCC3
|
|
|
374
|
CCN1CCc2c(c([nH]c(=O)c2C#N)[O-])C1
|
|
|
375
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
376
|
CC(=O)/N=c/c(nn(s1)C(=O)C)C(=O)N
|
|
|
377
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
378
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
379
|
c1cc2c([nH]nc2Cl)nc1
|
|
|
380
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
|
381
|
CN1C2CCNC(C2NN1)CL
|
|
|
382
|
C1C2=C[C@@H]3C=C[C@H]2[C@@H](C=C3)NC1=O
|
|
|
383
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
|
384
|
|
|
|
385
|
c1ccc2c(c1)c(=O)[nH]c3n2nnc3
|
|
|
386
|
c1ccc(c(c1)C(=O)[O-])S[C@@H]2CCC(=O)N2
|
|
|
387
|
COC(=O)c1cc(=O)nc(s1)N
|
|
|
388
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
|
389
|
Cc1c(oc(n1)C)c2ccnc(n2)N
|
|
|
390
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
391
|
|
|
|
392
|
Cc1nc(on1)CN2CCSc3c2cccc3
|
|
|
393
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
|
394
|
C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](N2C(=O)N1)O)O)O)O
|
|
|
395
|
Cn1c(ncn1)C(=O)C2CC2
|
|
|
396
|
Cc1c2c(nc(n1)C)Oc3ccc4ccccc4c3C2
|
|
|
397
|
c1ccc2c(c1)N3CCCN2c4c3cc(nn4)Cl
|
|
|
398
|
|
|
|
399
|
c1nc(no1)c2c(non2)N
|
|
|
400
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
401
|
COC(=O)CC1(C(=O)NC(=O)N=C1[O-])CC(=O)OC
|
|
|
402
|
c1ccc(c(c1)c2c(c(ns2)Cl)c3[nH]ncn3)Cl
|
|
|
403
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
404
|
|
|
|
405
|
c1cnn2c1c(=O)n(nc2)CC(=O)[O-]
|
|
|
406
|
C1C2C(NNNC2[O-])N(N1)[C@@H]3CCCO3
|
|
|
407
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
408
|
C[C@@]1(CCC=C1CC(=O)[O-])c2ccccc2
|
|
|
409
|
Cc1nc(on1)CNS(=O)(=O)C
|
|
|
410
|
Cn1c(=O)c(c(cn1)SCc2ccco2)Cl
|
|
|
411
|
c1ccc-2c(c1)Cn3c2nnn3
|
|
|
412
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
|
413
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
|
414
|
C1CCC2C(C1)C(=O)N3C(S2)NC(N3)N
|
|
|
415
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
|
416
|
|
|
|
417
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
|
418
|
c1(nnc(s1)C(=O)N)C(=O)N
|
|
|
419
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
|
420
|
COC(=O)c1cc2c(s1)c(n[nH]2)N
|
|
|
421
|
c1ccc2c(c1)c3c(c(no3)N)c(=O)[nH]2
|
|
|
422
|
Cn1c(=O)n2cnc(c2nn1)C#N
|
|
|
423
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
424
|
Cc1cc(cs1)Oc2c[nH]c(=O)nc2
|
|
|
425
|
C1=CN2[C@@H](N=C1)N=C3[C@@H](C2=O)NC=N3
|
|
|
426
|
CCOC(=O)c1cnc(nc1Sc2nnc(s2)C)SC
|
|
|
427
|
Cc1c2c(ncnc2on1)N
|
|
|
428
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
429
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
430
|
COC1(c2c(non2)C(c3c1non3)(OC)OC)OC
|
|
|
431
|
c1cc(sc1)c2cncnc2
|
|
|
432
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
433
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
434
|
C1CCC2=C(C1)C3=NC(=O)CN3C(=O)N2
|
|
|
435
|
C=CC[C@@H]1C(=NC(=NC1=O)N)O
|
|
|
436
|
c1csc2c1[nH]c(=O)oc2=O
|
|
|
437
|
CCOc1cc2c(cc1F)nnc(n2)C
|
|
|
438
|
Cc1c(c(n(n1)Cc2[n-]nnn2)C)Br
|
|
|
439
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
|
440
|
c1c2c(=O)[nH]c(nc2n[nH]1)[O-]
|
|
|
441
|
COC(=O)C[C@@]1(C(=C(C(=N1)[O-])N)C(=O)OC)C(=O)OC
|
|
|
442
|
c1c(nc(=O)n(n1)[C@@H]2CCCO2)N
|
|
|
443
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
444
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
|
445
|
c1cc(oc1)c2c(oc(=O)o2)c3ccco3
|
|
|
446
|
CCn1c2c(c(n1)C)NC(=O)CNC2=O
|
|
|
447
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
|
448
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
449
|
Cc1nnc(o1)[C@H]2CCN(C2)C(=O)C
|
|
|
450
|
|
|
|
451
|
CCOC(=O)Cn1nnnn1
|
|
|
452
|
Cc1c(c(n(n1)C)n2cncn2)N
|
|
|
453
|
Cc1cc(nn2c1nnc2)O
|
|
|
454
|
CC1=Nc2c(cnn2C)C(=O)CC1
|
|
|
455
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
456
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
|
457
|
CC1(Cc2c(oc3c2c(ncn3)N)CO1)C
|
|
|
458
|
CC1NC(C(NN1)C(=O)N)[O-]
|
|
|
459
|
CN1C(NCN1)CCC2CCCCC2
|
|
|
460
|
Cc1c(cnc(n1)C)C(=O)C
|
|
|
461
|
|
|
|
462
|
c1ccc(cc1)S(=O)(=O)Nc2[n-]cnn2
|
|
|
463
|
Cc1c-2c(oc1C(=O)[O-])CCc3c2[nH]nc3
|
|
|
464
|
CCOC1C-2C(NC(N1)N)CCC3C2CCCC3
|
|
|
465
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
466
|
CC1=CC(=O)Nc2ccccc2S1
|
|
|
467
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
468
|
CC(C)c1nnc(o1)C(=O)[O-]
|
|
|
469
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
|
470
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
|
471
|
Cc1c(cc2c(c(sc2n1)c3nnc(o3)C)N)C(=O)C
|
|
|
472
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
473
|
CC1=C[C@@H](CC(=O)N1)c2ccco2
|
|
|
474
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
|
475
|
CCn1c2c(con2)c(=O)[nH]c1=O
|
|
|
476
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
|
477
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
478
|
C1Cn2c(=O)[nH]c(=O)nc2N1
|
|
|
479
|
Cc1c(=O)[nH]c(nn1)n2c(=O)ccc(n2)[O-]
|
|
|
480
|
c1c2c([nH]c(=O)c1C#N)CCOC2
|
|
|
481
|
Cc1cc(no1)n2c(c[nH]c2=O)C
|
|
|
482
|
CCOC(=O)C1=C(N=C(N[C@H]1c2ccccc2)O)C
|
|
|
483
|
C[C@@H]1C2=C(COC2=O)NC(=O)N1
|
|
|
484
|
c1c2n(nn1)CCn3c(cnn3)S2
|
|
|
485
|
c1cc2c(c3c1nncc3)non2
|
|
|
486
|
CNc1c2c(nc(n1)N)non2
|
|
|
487
|
Cc1c(n2c(ncn2)nn1)[O-]
|
|
|
488
|
c1cc(sc1)Sc2c(nccn2)C#N
|
|
|
489
|
CCOC(=O)[C@@]12CCC[C@@]1(NC(=O)C3C2CCNC3)O
|
|
|
490
|
Cn1c2c([nH]c1=O)nncn2
|
|
|
491
|
Cc1c2c([nH]n1)NC3=C([C@@H]2C)C(=O)OC3
|
|
|
492
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
493
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
|
494
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
495
|
Cc1cc(no1)c2c(c(no2)C)c3nc(on3)C
|
|
|
496
|
c1nncn1NC(=O)CC#N
|
|
|
497
|
CN1C2C(C(=O)[NH]1)NCCN2
|
|
|
498
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
499
|
Cc1c(non1)c2[n-]nnn2
|
|
|
500
|
CCn1c(ccn1)C(=O)n2ccnc2C
|
|
|
501
|
COc1ccc(cc1)c2cnnn2Cc3ccco3
|
|
|
502
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
503
|
C1=C(C=C([C@H]2C1=NC=N2)N)C(=O)[O-]
|
|
|
504
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
505
|
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
|
|
|
506
|
c1coc(=O)c2c1n3c(nc2)ncn3
|
|
|
507
|
CC1NNC(S1)C2C([NH]N(C2=O)C)NC(=O)C
|
|
|
508
|
c1cc(cc(c1)N)CC(=O)[O-]
|
|
|
509
|
C[C@H]([C@@H]1[C@@H](NC1=O)CC(=O)OC)O
|
|
|
510
|
Cc1c(oc(n1)C)c2cc[nH]n2
|
|
|
511
|
Cc1c(c(no1)C(=O)OC)c2cc[nH]n2
|
|
|
512
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
513
|
COC(=O)c1c(c2c([nH]1)c3ccccc3n4c2nnn4)N
|
|
|
514
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
515
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
|
516
|
COc1c2c(ncn1)SCC(=O)N2
|
|
|
517
|
C[C@@H]1Nc2ccccc2-c3c(nc(nn3)SC)O1
|
|
|
518
|
C1C[C@@H](Cc2c1snn2)C(=O)[O-]
|
|
|
519
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
|
520
|
c1c(nc2nncn2c1[O-])[O-]
|
|
|
521
|
CN(C)c1nnnn1c2cccnc2
|
|
|
522
|
c1nc2c(c(n1)N)N=C[C@H]2[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O
|
|
|
523
|
CC[C@@](C)(c1nnn(n1)C)O
|
|
|
524
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
525
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
526
|
|
|
|
527
|
CN1C2C(CN1)C(NNN2)[O-]
|
|
|
528
|
Cc1ccc(c(c1)n2cccn2)c3c4c(nc[nH]4)ncn3
|
|
|
529
|
CCn1c2cc(=O)[nH]c(c2c(n1)N)[O-]
|
|
|
530
|
Cn1c2c(c(ncn2)[O-])nn1
|
|
|
531
|
CS(=O)(=O)N1CCCN(CC1)Cc2nnnn2C3CC3
|
|
|
532
|
c1ccn(c(=O)c1)OCC(=O)[O-]
|
|
|
533
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
534
|
Cc1ncc(s1)CN(C)[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
535
|
Cc1c(non1)c2ccn[nH]2
|
|
|
536
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
537
|
C1CCC2(CC1)CNC(=O)O2
|
|
|
538
|
CN1C(=O)C2C([NH]C1=O)S(=O)(=O)C3CCCCC3C2
|
|
|
539
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
540
|
Cc1nc2ccccc2c(=O)o1
|
|
|
541
|
COC(=O)C[C@@H]1Cn2c(ncn2)N=C1O
|
|
|
542
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
|
543
|
Cc1cc2c(c(n[nH]c2=O)N)c(=O)[nH]1
|
|
|
544
|
Cc1nc(on1)CNC(=O)C
|
|
|
545
|
Cc1ccc(o1)[C@@]2(CCNC(=O)O2)C(F)(F)F
|
|
|
546
|
CNC1=N[C@@H]2CCCC[C@@H]2O1
|
|
|
547
|
Cc1[nH]c(c(n1)[C@@H](c2ccc(cc2)F)C(C#N)C#N)[O-]
|
|
|
548
|
C=CCOC1CCNC(N1)N
|
|
|
549
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
550
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
551
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
552
|
c1nnn(n1)C23CC4CC(C2)CC(C4)C3
|
|
|
553
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
|
554
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
|
555
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
|
556
|
C([C@H](c1c(c(c(o1)O)[O-])O)O)O
|
|
|
557
|
CNc1nnc(s1)c2cnccn2
|
|
|
558
|
c1cc2c(cc1n3cnnn3)nc[nH]2
|
|
|
559
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
560
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
561
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
562
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
563
|
Cc1cc(=O)[nH]c2c1CCO2
|
|
|
564
|
Cnccs/c1=NC(=O)CNS(=O)(=O)c2cnn(c2)C
|
|
|
565
|
C1CNC2/C(=C/3N=NNS3)/C(=O)[NH]N2C1=O
|
|
|
566
|
COC1CCC(C2C1NON2)S(=O)(=O)C3CCCCC3
|
|
|
567
|
CN1c2ccccc2Oc3ccc(cc3S1(=O)=O)C(=O)[O-]
|
|
|
568
|
c1cnc(nc1C2=C3C(=NC2)CCNC3=O)N
|
|
|
569
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
|
570
|