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Virtual screening for IDP 3FZY - surface: 1
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cc(oc1)C(=O)Nc2nc(co2)C(=O)[O-]
|
|
|
2
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
3
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
4
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
5
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
6
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
7
|
|
|
|
8
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
9
|
CC(=O)Nc1ccc(o1)C(=O)[O-]
|
|
|
10
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
11
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
|
12
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
13
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
14
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
15
|
COC(CNC1=Nc2c(cccn2)OC1)OC
|
|
|
16
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
17
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
18
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
19
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
20
|
c1cc(cnc1)c2nc3c4c(ncn3n2)CCC4
|
|
|
21
|
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
|
|
|
22
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
23
|
C1C2CC3CC1CC(C2)(C3)n4nc(c(n4)C(=O)[O-])C(=O)[O-]
|
|
|
24
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
25
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
|
26
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
27
|
CC(=O)n1ccc(n1)C(=O)[O-]
|
|
|
28
|
Cn1c(=O)c(nn(c1=O)c2ccccc2)c3nc(on3)[O-]
|
|
|
29
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
30
|
c1c(nc2c(n1)c(ncn2)[O-])[O-]
|
|
|
31
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
|
32
|
CC1CCCC(N1)C2[N-]NNN2
|
|
|
33
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
34
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
|
35
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
|
36
|
Cc1c2c(con2)c(nn1)c3ccccn3
|
|
|
37
|
c1ccc(cc1)c2c3c(ccnc3c4c(n2)non4)[O-]
|
|
|
38
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
39
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
40
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
41
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
|
42
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
43
|
CC1([C@@H]2CC[C@]1(c3c2nc(c(n3)C#N)C#N)C(=O)[O-])C
|
|
|
44
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
45
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
46
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
|
47
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
48
|
C1CC(CCC1NC(=O)C2=C([C@@H]3C=C[C@H]2O3)C(=O)[O-])CL
|
|
|
49
|
Cc1c(c2nnnn2c(n1)c3ccccn3)Cl
|
|
|
50
|
|
|
|
51
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
52
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
53
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
54
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
55
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
56
|
CCn1c(nnc1SC)c2c(=O)ccn(n2)c3ccccc3
|
|
|
57
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
|
58
|
C(C(=O)[O-])Sc1nc(=O)c(ns1)[O-]
|
|
|
59
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
60
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
61
|
c1cc(oc1)c2ccnc(n2)N
|
|
|
62
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
63
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
64
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
65
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
|
66
|
Cn1c2c(cccn2)nc(c1=O)[NH+]3CCC[C@@H]3C(=O)[O-]
|
|
|
67
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
68
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
69
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
|
70
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
71
|
c1cnnc(n1)c2nccnn2
|
|
|
72
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
73
|
c1c(c(n2c(n1)ncn2)[O-])n3cncn3
|
|
|
74
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
75
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
|
76
|
Cc1cc(c(nn1)[O-])c2nc(cs2)C
|
|
|
77
|
Cc1ccc(cc1)c2nnc(o2)c3c(cnc(n3)SC)Cl
|
|
|
78
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
79
|
CSc1nc(c(nn1)c2ccco2)c3ccco3
|
|
|
80
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
|
81
|
c1cc(oc1)c2cc3nc4c(c(n3n2)[O-])SCC4
|
|
|
82
|
c1cnc(cn1)c2nnc(o2)N
|
|
|
83
|
CC(C)(C)OC(=O)N1CCC[C@H]1Cn2c(nnn2)NC3CC3
|
|
|
84
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
|
85
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
86
|
Cc1c2c(nc(c(n2)c3ccc(nc3)OC)[O-])nc(n1)SC
|
|
|
87
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
88
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
|
89
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
90
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
91
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
92
|
c1cc2c(nc1)nc(s2)Cl
|
|
|
93
|
Cc1nc(on1)Cn2c(=O)n(c(=O)n(c2=O)CC=C)CC=C
|
|
|
94
|
C1NC2C(C(N1)[O-])NC(NN2)[O-]
|
|
|
95
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
96
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
97
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
98
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
|
99
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
|
100
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
101
|
c1cc2c3c(c(ncn3)n4cccn4)sc2nc1
|
|
|
102
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
103
|
Cc1c(non1)OCCOc2c(non2)C
|
|
|
104
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
105
|
|
|
|
106
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
107
|
c1cnccc1c2cnc3cc(nn3c2)O
|
|
|
108
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
109
|
CC1NC(CS1)CN(C)CN2CNC(N2)C(=O)OC
|
|
|
110
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
111
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
112
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
113
|
CNc1nc(nc(n1)n2cnc(n2)SC)NC
|
|
|
114
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
115
|
|
|
|
116
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
|
117
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
118
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
119
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
120
|
Cc1cc(n(n1)c2nc(c(nn2)C)[O-])C
|
|
|
121
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
122
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
123
|
CCOC(=O)c1nn(c2n1c(=O)cc(n2)N)c3ccccc3
|
|
|
124
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
125
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
|
126
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
127
|
CC1NC2C(NCNC2NN1)N
|
|
|
128
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
129
|
Cc1c2c(oc(c2c(=O)[nH]n1)NC(=O)Cn3ccnc3)C
|
|
|
130
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
131
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
|
132
|
Cc1c(c(=O)[nH]c(n1)[O-])S(=O)(=O)CCC(=O)[O-]
|
|
|
133
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
134
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
135
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
|
136
|
Cc1c(n2c(ncn2)nn1)[O-]
|
|
|
137
|
CC(C)N1C(=O)C2NN3C(C(=O)N(C3=O)C(C)C)NN2C1=O
|
|
|
138
|
CN(C)c1nnnn1c2ncccn2
|
|
|
139
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
140
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
|
141
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
142
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
143
|
CCOc1nnc(s1)Cn2c(noc2=O)c3ccccc3
|
|
|
144
|
Cc1cc(nc(n1)n2c(=O)ccc(n2)[O-])C
|
|
|
145
|
c1c(nc(cn1)Cl)n2cncn2
|
|
|
146
|
C1CC2C(NC1)SC3CNNCC3N2
|
|
|
147
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
|
148
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
149
|
|
|
|
150
|
c1cc(c2c(c1C3=CCCc4c3non4)non2)N
|
|
|
151
|
CC(C)(C)C1=C(N2[C@H](O1)[C@@H](C2=O)[C@@H](c3ccncc3)O)C(=O)[O-]
|
|
|
152
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
153
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
|
154
|
CN(C)C(=O)Sc1cnc2ncnn2c1
|
|
|
155
|
CCc1nc2ccsc2c(n1)c3ccccn3
|
|
|
156
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
157
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
|
158
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
159
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
160
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
|
161
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
162
|
Cn1c(=O)n2cnc(c2nn1)C#N
|
|
|
163
|
c1ccc2c(c1)cc(c(=O)o2)/C(=N/c3n[nH]nn3)/[O-]
|
|
|
164
|
c1cnn2c1nnc(c2[O-])C#N
|
|
|
165
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
166
|
CSC1C2C3C(C(NNN3)CL)SC2NS1
|
|
|
167
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
168
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
169
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
170
|
C[C@@H]1c2nc(nn2[C@](C(=O)O1)(C)CC#C)[C@@H](C)O
|
|
|
171
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
172
|
c1ccc2c(c1)N=C(CN2C(=O)NCC(=O)[O-])O
|
|
|
173
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
174
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
175
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
|
176
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
177
|
Cc1nc(c(nn1)[O-])Cc2ccccc2
|
|
|
178
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
|
179
|
Cc1c(c(on1)C)C(=O)n2ccc(n2)c3c(nc(o3)C)C
|
|
|
180
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
|
181
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
182
|
Cc1conc1n2c(=O)nc3ccccc3n2
|
|
|
183
|
CC1(Cc2c(cc3c4c([nH]c(=O)[nH]4)sc3n2)CO1)C
|
|
|
184
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
185
|
|
|
|
186
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
|
187
|
COc1ncc(c2n1nc(n2)S(=O)(=O)[O-])F
|
|
|
188
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
189
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
|
190
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
191
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
|
192
|
Cc1c(nc2c(n1)cccn2)C
|
|
|
193
|
CC(=O)NC1=N[C@@]2([C@@H](c3ccccc3[C@@]2(N1)O)O)O
|
|
|
194
|
c1nc2c(c(n1)O)nnc(n2)N
|
|
|
195
|
Cc1cc(n(n1)c2nc(nc(n2)N)C)C
|
|
|
196
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
197
|
Cc1c2c3c(cnc2sn1)c(n(n3)c4ccc(cc4)Cl)O
|
|
|
198
|
Cc1c2c(nc(oc2=O)c3ccccc3Cl)on1
|
|
|
199
|
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
|
|
|
200
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
201
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
202
|
CC1=Nc2c(c(nc(n2)N3CCCCC3)N)C1=O
|
|
|
203
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
|
204
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
|
205
|
c1ccc2c(c1)c3cc(nn3c(n2)[O-])c4ccccn4
|
|
|
206
|
|
|
|
207
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
208
|
CN1CCN=C(C=C1c2ccccc2O)C(=O)[O-]
|
|
|
209
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
|
210
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
211
|
Cc1cnc(s1)NC(=O)c2c(nsc2NC)C
|
|
|
212
|
c1coc(n1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
|
213
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
|
214
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
215
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
216
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
217
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
218
|
|
|
|
219
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
220
|
CC(=O)N[C@H]1c2nc(cn2[C@@H]([C@H]([C@@H]1O)O)CO)CC(=O)[O-]
|
|
|
221
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
|
222
|
c1ccc(cc1)c2c3c(c(ncn3)[O-])sn2
|
|
|
223
|
c1(c(non1)C(=O)[O-])c2c(non2)C(=O)[O-]
|
|
|
224
|
c1nc-2c3nc(on3cnc2n1)[O-]
|
|
|
225
|
|
|
|
226
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
227
|
c1cn(c(=O)c(=O)[nH]1)CCC(=O)[O-]
|
|
|
228
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
|
229
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
|
230
|
CN1CNC2C1NNNC2[O-]
|
|
|
231
|
CC(C)[C@@]1(C(=NC(=N1)c2c(cc3ccccc3n2)C(=O)[O-])O)C
|
|
|
232
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
|
233
|
Cc1c(nc2ccccc2n1)c3c(c(ns3)N)C#N
|
|
|
234
|
Cn1cnc2c1ccnc2C(=O)NCC(=O)[O-]
|
|
|
235
|
c1cocc1c2c(cc3c(n2)CCC3)C(=O)N
|
|
|
236
|
c1ccc(cc1)C2=CSc3nc(nc(=[NH2+])n3N2)N
|
|
|
237
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
238
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
239
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
240
|
Cc1nc(cs1)c2nnc(o2)N
|
|
|
241
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
242
|
COc1c2c(ncn1)Sc3c(ncnc3OC)N2
|
|
|
243
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
|
244
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
245
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
246
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
|
247
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
|
248
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
249
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
250
|
c1cc2c(c3c1[nH]cn3)c(c(cn2)c4[n-]nnn4)O
|
|
|
251
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
252
|
c1c2cc(oc2ncc1F)CO
|
|
|
253
|
C1CCC(CC1)S(=O)(=O)OC2CCC(NN2)[O-]
|
|
|
254
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
255
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
256
|
c1c(c(=O)nc2n1CCO2)C#N
|
|
|
257
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
258
|
Cc1c2c(c(nnn2)[O-])n[nH]1
|
|
|
259
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
260
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
261
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
262
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
|
263
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
|
264
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
265
|
C[C@@H]1C(=NC(=NC1=O)c2ccccc2)C(=O)[O-]
|
|
|
266
|
c1(=O)[nH]c(=O)n2c(n1)sc(n2)S(=O)(=O)N
|
|
|
267
|
CCSc1nnc(s1)/N=C(/C2CCC2)[O-]
|
|
|
268
|
c1ccc(cc1)COc2cnc(nc2)C#N
|
|
|
269
|
CN(Cc1c(snn1)Cl)S(=O)(=O)c2ccc(cc2)F
|
|
|
270
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
|
271
|
c1nc(c(n1Cc2n[n-]nn2)Cl)Cl
|
|
|
272
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
273
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
274
|
Cc1c(nc2c(n1)non2)[O-]
|
|
|
275
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
276
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
277
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
|
278
|
c1ccc(cc1)OCc2[n-]nnn2
|
|
|
279
|
CCOC(=O)c1c([nH]cn1)SC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
280
|
CC(=O)Nc1nnc(s1)c2c(non2)N
|
|
|
281
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
282
|
CSC1NC2C(S1)NC(OC2=O)C3CCCCC3
|
|
|
283
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
284
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
|
285
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
|
286
|
c1cc(nc2c1n[n-]n2)Cl
|
|
|
287
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
|
288
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
289
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
|
290
|
Cc1nc(cs1)c2nc(cs2)C(=O)C
|
|
|
291
|
CC(=C)c1nc(co1)C(=O)[O-]
|
|
|
292
|
c1cc(ncc1C#N)Sc2nccs2
|
|
|
293
|
CC1=C(C(=O)N(CO1)C(C)(C)C(=O)[O-])c2ccccc2F
|
|
|
294
|
c1ccc(cc1)n2ncc(n2)c3[n-]nnn3
|
|
|
295
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
|
296
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
|
297
|
CN(C)c1nnnn1c2cccnc2
|
|
|
298
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
|
299
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
300
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
301
|
c1ccc(cc1)C2=Nc3c(non3)NC=C2
|
|
|
302
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
303
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
304
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
305
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
306
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
307
|
c1ccc(cc1)/C(=C/2C(=O)CC(=O)N2)/[O-]
|
|
|
308
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
|
309
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
|
310
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
311
|
c1cnc(nc1c2cnccn2)N
|
|
|
312
|
C[C@@H]1COC(=N1)C2CCCCN2
|
|
|
313
|
Cc1cc2n(n1)C(=O)CC(=O)C2
|
|
|
314
|
CSc1nccc(n1)c2cnoc2
|
|
|
315
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
|
316
|
C=CCNc1cn[nH]c(=O)n1
|
|
|
317
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
318
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
|
319
|
Cc1nc(nn1c2[n-]cnn2)C(=O)[O-]
|
|
|
320
|
c1cnc(nc1c2nccs2)N
|
|
|
321
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
|
322
|
c1csc2c1n3c(c(cn3)C(=O)[O-])nc2Cl
|
|
|
323
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
|
324
|
Cc1c(c(n[nH]1)n2cnc3ccccc3c2=O)c4ccccc4
|
|
|
325
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
|
326
|
Cc1c2c(nc(n1)C)Oc3ccc4ccccc4c3C2
|
|
|
327
|
CN1C2C(CN1)C(NNN2)[O-]
|
|
|
328
|
c1ccc(cc1)OCc2nnco2
|
|
|
329
|
c1cc(oc1C(=O)[O-])S(=O)(=O)[O-]
|
|
|
330
|
c1c(c(n[nH]c1=O)[O-])CC(=O)[O-]
|
|
|
331
|
|
|
|
332
|
c1cc(ccc1c2nc(cs2)SCC(=O)[O-])Cl
|
|
|
333
|
CC1NC(C(NN1)C(=O)N)[O-]
|
|
|
334
|
C1[C@@H](N2C=CC=NC2=NC1=O)C(=O)[O-]
|
|
|
335
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
336
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
337
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
338
|
c1cc(cnc1)C(=O)c2ccco2
|
|
|
339
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
340
|
CCOc1nnc(s1)CN(C)Cc2ccco2
|
|
|
341
|
CC1C2C(C([NH]1)C3CCCCC3)NC(OC2=O)C
|
|
|
342
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
343
|
CCCn1cnc(n1)NC(=O)c2cc(=O)n(c(n2)[O-])C
|
|
|
344
|
C1CNC-2NCN3C(C12)NN[NH]3
|
|
|
345
|
Cc1c(oc2c1c3nc(nn3cn2)c4cccnc4)C
|
|
|
346
|
Cc1cc(nc(n1)C)Oc2cccc(c2)c3nnco3
|
|
|
347
|
CC1NC2C(S1)NC(NN2)C3CCCCC3
|
|
|
348
|
Cc1nc(cs1)/C=C/c2cccnc2
|
|
|
349
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
|
350
|
Cc1cc(no1)Cn2cnc3ccccc3c2=O
|
|
|
351
|
CCCSc1[n-]s/c(=N/C(=O)CN2CCCC2)/n1
|
|
|
352
|
c1ccc2c(c1)c(c3c(n2)C[C@@H]4CCCN3C4)C(=O)[O-]
|
|
|
353
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
354
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
355
|
Cc1nnc(o1)CSc2ccccn2
|
|
|
356
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
|
357
|
c1cc(cnc1)CNCCc2ccco2
|
|
|
358
|
CCC(=O)Cc1cnccn1
|
|
|
359
|
COC(=O)c1cc2c([nH]1)cc(nc2Cl)Cl
|
|
|
360
|
C1c2c(c(c(nc2O[C@@H]1CO)N)C#N)N
|
|
|
361
|
c1ccc(cc1)C2=CC(=Nn3c(nnn3)N2)c4ccccc4
|
|
|
362
|
c1(c(n[nH]n1)C(=O)[O-])C(=O)[O-]
|
|
|
363
|
C1C[C@@H](OC1)C(=O)Nc2[n-]nnn2
|
|
|
364
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
365
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
366
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
367
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
368
|
CC(=O)Nc1ccc(cc1)S(=O)(=O)Oc2c(nccn2)N
|
|
|
369
|
CCCSc1[n-]s/c(=NC(=O)Cn2c(=O)ccc(n2)O)/n1
|
|
|
370
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
371
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
372
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
373
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
374
|
c1cnn(c1)c2cncc(n2)Cl
|
|
|
375
|
c1cn(nc1CC(C(F)(F)F)(C(F)(F)F)O)C(=O)N
|
|
|
376
|
C(C#N)C1C(NN(N1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
377
|
c1cc(sc1)c2c(c(=O)n3c(c(sc3n2)C#N)N)C#N
|
|
|
378
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
379
|
c1ccc2c(c1)c3ccc(nc3[nH]2)N
|
|
|
380
|
Cn1c(cc2c1nc(nc2OC)N)C(=O)[O-]
|
|
|
381
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
|
382
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
383
|
c1cnccc1c2cc3n(n2)CCNC3=O
|
|
|
384
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
385
|
c1ccnc(c1)CCSc2nncs2
|
|
|
386
|
Cc1cc(nc2c1c(=O)nc3n2ncs3)C
|
|
|
387
|
Cc1nc(c(c(n1)Cl)NC2=NCCN2C(=O)C)Cl
|
|
|
388
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
389
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
390
|
CCOC(=O)c1nn(c2n1c(=O)c(nn2)C)c3ccccc3
|
|
|
391
|
CCc1nc(c2n1c(ccc2)C)N3CCCC3=O
|
|
|
392
|
c1ccc(cc1)n2c(=O)c3cnc4c(c3[nH]2)cc(s4)C(=O)[O-]
|
|
|
393
|
CC1=C(NC(=O)[C@@H](NC1=O)c2ccccc2)C
|
|
|
394
|
c1c2c(nc3c1c(=O)n(cn3)CC(=O)[O-])CCC2
|
|
|
395
|
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
|
|
|
396
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
|
397
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
398
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
|
399
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
|
400
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
401
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
|
402
|
CC1NCC2C(N1)C(NC(N2)N)[O-]
|
|
|
403
|
Cc1cnn(c1)C(=O)c2c(noc2C)C
|
|
|
404
|
c1c(=O)nc2n(n1)C(=O)CS2
|
|
|
405
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
406
|
Cc1ncc2c(n1)-c3cc(ccc3SC2)F
|
|
|
407
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
408
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
409
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
|
410
|
Cc1cccnc1NC(=O)NC2(CCC2)c3nc(on3)C
|
|
|
411
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
412
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
|
413
|
Cc1ccc(cc1)n2c(c(nn2)C(=O)n3c(cc(n3)C)C)C
|
|
|
414
|
Cc1c(non1)[C@@H]2CCCN2C(=O)c3ccnc(c3)NC
|
|
|
415
|
CC(=O)c1cn2c(n1)O[C@@](C2)(C)CO
|
|
|
416
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
|
417
|
Cc1c(c2nc(c3c(n2n1)OCC3)C(=O)[O-])c4ccccc4
|
|
|
418
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
419
|
CN(Cc1ccc(cc1)C#N)Cn2cc(cn2)Cl
|
|
|
420
|
Cc1c2c(n(n1)c3ccccc3)N[S@@](=O)N2
|
|
|
421
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
422
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
|
423
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
424
|
c1ccnc(c1)n2c(=O)c(=O)[nH]cn2
|
|
|
425
|
C[C@@H]1C(=O)N=C(N1c2nc(nc(n2)OC)NC(C)C)N
|
|
|
426
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
427
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
428
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
429
|
|
|
|
430
|
c1(c(non1)N)c2nnc(o2)N
|
|
|
431
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
|
432
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
433
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
|
434
|
C(C1[N-]NNN1)C2[N-]NNN2
|
|
|
435
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
436
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
437
|
c1cc(oc1)C2=CC(=O)Nc3c(non3)N2
|
|
|
438
|
Cc1c(non1)NCn2cnnn2
|
|
|
439
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
440
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
|
441
|
c1cc(c(nc1)c2ccco2)N
|
|
|
442
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
|
443
|
c1ccc2c(c1)c(c3c(n2)[C@@H]4OC[C@H](C3)O4)C(=O)[O-]
|
|
|
444
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
445
|
c1cnc(c(n1)C(=O)[C@@H]2CCOC2)Cl
|
|
|
446
|
Cn1cc2c(c1c3ccc(cc3)N)c(=O)[nH]nc2[O-]
|
|
|
447
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
448
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
449
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
|
450
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
451
|
Cn1c(nnn1)/N=C(/c2ccc(o2)Br)[O-]
|
|
|
452
|
CC1C2NNNN2C(=O)N(N1)C3CCCCC3
|
|
|
453
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
454
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
455
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
|
456
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
457
|
c1cc(c(nc1)n2cncn2)N
|
|
|
458
|
c1ccc2c(c1)nc(o2)n3c4ccccc4oc3=O
|
|
|
459
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
|
460
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
461
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
462
|
CC(C)(C)C1NNNN1CN2CCN(CC2)S(=O)(=O)C
|
|
|
463
|
Cc1c(nn2c(=O)c(nnc2n1)C)[O-]
|
|
|
464
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
465
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
466
|
c1cc(c(nc1)n2cccn2)N
|
|
|
467
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
468
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
|
469
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
|
470
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
|
471
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
|
472
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
|
473
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
474
|
c1nc2n(n1)C(=O)CC(=N2)[O-]
|
|
|
475
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3c(=O)ccc(n3)c4ccco4
|
|
|
476
|
|
|
|
477
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
478
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
479
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
480
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
481
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
482
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
483
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
484
|
Cc1ccc(nc1)n2cnnn2
|
|
|
485
|
[H]/N=c/n(nc(s1)C(=O)C)c2ccccc2
|
|
|
486
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
|
487
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
|
488
|
CC1(NC(=O)[C@@]2(O1)C[C@@H](C=C2CO)O)C
|
|
|
489
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
|
490
|
c1ccc(cc1)c2nc(sn2)c3ccc(nn3)Cl
|
|
|
491
|
CC1C(C(N[NH]1)C2CCON2)N
|
|
|
492
|
Cc1c(nnc(c1C#N)NCc2ccoc2)C
|
|
|
493
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
|
494
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
495
|
c1ccc2c(c1)[nH]c(=O)c(n2)n3ccnc3
|
|
|
496
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
497
|
c1ccnc(c1)N2[C@@H](N3CCC[C@@H]3C2=O)c4cccnc4
|
|
|
498
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
499
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
500
|
CNc1nnc(s1)c2cnccn2
|
|
|
501
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
502
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
|
503
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
504
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
|
505
|
CNC1C(=O)NC(SN1)SC2NC(=O)C(NS2)NC
|
|
|
506
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
507
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
508
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
509
|
c1nc(c(n1CCO)N)C#N
|
|
|
510
|
COc1c2c(ncn1)SCC(=O)N2
|
|
|
511
|
CC(=O)O[C@@H](c1ccccc1)C(=O)Nn2c(nnn2)N
|
|
|
512
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
513
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
514
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
515
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
516
|
Cc1ncc(o1)Sc2cnc(s2)c3ccccc3
|
|
|
517
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
|
518
|
CC1NC(ON1)C2CNCCN2
|
|
|
519
|
Cc1ccc(cc1)Sc2c(c([nH]n2)N)NC(=O)C
|
|
|
520
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
521
|
Cc1ccc(n1c2[n-]c(nn2)SCCCC(=O)[O-])C
|
|
|
522
|
c1([n-]nnn1)Nc2[n-]nnn2
|
|
|
523
|
c1ccc(cc1)c2nc(on2)c3csnn3
|
|
|
524
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
525
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
526
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
527
|
Cc1c(c(on1)N)c2nc(cs2)c3ccc(cc3)OC
|
|
|
528
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
|
529
|
|
|
|
530
|
c1c(nc(=O)n(n1)[C@@H]2CCCO2)N
|
|
|
531
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
|
532
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
533
|
CC1C2C(NC(NC2C([NH]1)C3CCCCC3)C)C
|
|
|
534
|
CCc1[nH]c(c2c(n1)nn3c2nnc(c3=O)C(C)(C)C)[O-]
|
|
|
535
|
c1ccc(cc1)/C=C/c2ccncn2
|
|
|
536
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
537
|
Cc1c(c2c3nnc(n3cnc2o1)C)C(=O)[O-]
|
|
|
538
|
c1ccc(cc1)c2cc3c(nccn3n2)Cl
|
|
|
539
|
CN(C)S(=O)(=O)n1c2ccccc2c3c1nc4ccccc4n3
|
|
|
540
|
c1ccc2c(c1)nnn2c3nnns3
|
|
|
541
|
CCSc1ncc(n1C)c2cc(c3ccccc3n2)C(=O)[O-]
|
|
|
542
|
CSc1nnc(o1)Cn2cnc(c2Cl)Cl
|
|
|
543
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
544
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
|
545
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
546
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
547
|
COC(=O)Nc1cn2c(n1)ccc(n2)C(=O)N
|
|
|
548
|
Cc1nc(on1)c2c(non2)N
|
|
|
549
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
|
550
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
|
551
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
552
|
Cn1c2c(cnc(n2)c3cccnc3)c(=O)nc1[O-]
|
|
|
553
|
c1cc(nnc1n2cncn2)[O-]
|
|
|
554
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
555
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
|
556
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
557
|
c1c[nH]c2c1ncc(n2)Cl
|
|
|
558
|
c1ccc2c(c1)nc(s2)Nc3c(=O)c(nsn3)Cl
|
|
|
559
|
C(CS(=O)(=O)[O-])C1[N-]NNN1
|
|
|
560
|
CCCc1nc2c(o1)cccn2
|
|
|
561
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
|
562
|
c1cc(cc(c1)n2cccn2)c3[n-]nnn3
|
|
|
563
|
c1c(=O)nc2n(n1)c(cs2)N
|
|
|
564
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
565
|
CCOC(=O)CCC1NC(C(C2N1NNN2)C)C(=O)OCC
|
|
|
566
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
567
|
CC1(Cc2c(nc(c(n2)N)C(=O)OC)CO1)C
|
|
|
568
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
569
|