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Virtual screening for IDP 3JTJ - surface: 1
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
2
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
3
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
4
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
5
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
6
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
7
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
8
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
9
|
CC(C)(C)c1ncc(s1)c2nc3c(cccn3)c(n2)[O-]
|
|
|
10
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
11
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
12
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
13
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
14
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
15
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
|
16
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
17
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
18
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
19
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
20
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
21
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
|
22
|
c1cc(sc1)c2ccn[nH]2
|
|
|
23
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
|
24
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
|
25
|
Cc1cc(cc(c1c2c(c[nH]n2)c3nc(cs3)C)O)O
|
|
|
26
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
|
27
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
|
28
|
c1cn[nH]c1c2ccsc2
|
|
|
29
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
30
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
31
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
32
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
|
33
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
|
34
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
35
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
36
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
37
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
38
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
|
39
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
40
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
41
|
C1CCC2C(C1)-C3C(CN[NH]3)CCS2
|
|
|
42
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
43
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
44
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
|
45
|
Cc1cc(nc(n1)SNc2ccccc2OC)C
|
|
|
46
|
|
|
|
47
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
48
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
49
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
|
50
|
c1cc2c3c(c(=O)[nH]c2nc1)C=NCCO3
|
|
|
51
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
52
|
Cc1nnc(s1)SCSc2ccccn2
|
|
|
53
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
54
|
c1c[nH]c2c1ncc(n2)Cl
|
|
|
55
|
CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
|
|
|
56
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
57
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
58
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
59
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
|
60
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
61
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
62
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
63
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
64
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
65
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
66
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
67
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
68
|
Cc1c(non1)c2ccn[nH]2
|
|
|
69
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
70
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
71
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
|
72
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
73
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
|
74
|
|
|
|
75
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
76
|
Cc1cc(nc2c1c(nc(n2)C)C)c3c(nc(nc3N)C)C
|
|
|
77
|
CSc1nnc(s1)CN2CCSc3c2cccc3
|
|
|
78
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
|
79
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
80
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
|
81
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
82
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
83
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
84
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
|
85
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
86
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
87
|
|
|
|
88
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
89
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
|
90
|
c1ccc2c(c1)-c3c(c[nH]n3)CO2
|
|
|
91
|
CCc1nnc(s1)/N=C(/[C@@H](C2CCCC2)NC(=O)C)[O-]
|
|
|
92
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
|
93
|
Cc1nc(cs1)c2ccc[nH]2
|
|
|
94
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
95
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
|
96
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
|
97
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
|
98
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
|
99
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
|
100
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
101
|
c1cc(cnc1)NCc2csnn2
|
|
|
102
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
103
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
104
|
Cc1cc(nc(n1)Nc2[nH]ncn2)C
|
|
|
105
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
|
106
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
107
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
108
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
|
109
|
c1c(cnc2c1COC(=O)N2)Br
|
|
|
110
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
111
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
112
|
Cc1ccc(cc1)c2ccc[nH]2
|
|
|
113
|
c1cc2c(cc1C(F)(F)F)nc(s2)c3csnn3
|
|
|
114
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
115
|
Cc1csc(n1)NC(=O)c2c(nns2)C
|
|
|
116
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
117
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
118
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
119
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
120
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
121
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
122
|
Cc1c(=O)[nH]c(nn1)n2c(=O)ccc(n2)[O-]
|
|
|
123
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
124
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
125
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
|
126
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
|
127
|
Cc1csc(n1)N2CCc3c2cccc3
|
|
|
128
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
129
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
130
|
C1CC(OC1)C2NC(=O)[NH]C(=O)S2
|
|
|
131
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
|
132
|
Cn1cc(cn1)NCc2ccco2
|
|
|
133
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
|
134
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
135
|
c1cnc(nc1c2nccs2)N
|
|
|
136
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
137
|
c1ccc2c(c1)cc(c(=O)o2)/C(=N/c3n[nH]nn3)/[O-]
|
|
|
138
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2c[nH]n3)O
|
|
|
139
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
140
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
141
|
c1ccc2c(c1)/C(=N/c3ccccn3)/C(=O)N2
|
|
|
142
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
143
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
|
144
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
145
|
c1ccc2c(c1)c(cs2)Cc3[n-]nnn3
|
|
|
146
|
Cc1c(n2ccccc2n1)c3ccn[nH]3
|
|
|
147
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
148
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
149
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
|
150
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
151
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
152
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
153
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
154
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
155
|
COC(=O)c1ncn(n1)CN2CCC[C@@H]2c3cccs3
|
|
|
156
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
157
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
158
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
159
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
160
|
Cc1ccc(o1)[C@@H]2C[C@@H](n3c(ccn3)N2)C(F)(F)F
|
|
|
161
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
162
|
CCS(=O)(=O)NCc1nnc(o1)C
|
|
|
163
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
|
164
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
165
|
c1ccc2c(c1)C(=C(CS2)C(=O)Nc3ccccn3)[O-]
|
|
|
166
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
167
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
168
|
c1ccnc(c1)SCc2ccco2
|
|
|
169
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
170
|
Cc1[nH]cc(n1)c2ccccc2
|
|
|
171
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
|
172
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
173
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
|
174
|
c1ccc2c(c1)C[C@@H]([C@@H]2Sc3ncccn3)O
|
|
|
175
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
|
176
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
177
|
CC[C@@]1(Cc2ccccc2O1)c3[nH]ccn3
|
|
|
178
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
|
179
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
180
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
181
|
|
|
|
182
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
183
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
184
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
185
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
186
|
CCOC(=O)Nc1c(n[nH]n1)Cl
|
|
|
187
|
C[C@@H](c1ccccc1)N(C)Cc2nccn2C
|
|
|
188
|
c1ccc2c(c1)[nH]c(n2)n3cnnc3
|
|
|
189
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
190
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
191
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
192
|
c1cc2c(cc1F)cc(c(=O)o2)c3csnn3
|
|
|
193
|
c1ccc2c(c1)ncc(n2)n3cnc(n3)C#N
|
|
|
194
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
195
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
196
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
|
197
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
198
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
199
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
|
200
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
201
|
c1cn2c(=O)cc([nH]c2n1)[O-]
|
|
|
202
|
CNc1nc(nc(n1)n2cnc(n2)SC)NC
|
|
|
203
|
CCn1c2ccccc2nc1c3cnn(n3)c4ccccc4
|
|
|
204
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
205
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
206
|
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
|
|
|
207
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
208
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
209
|
c1coc(n1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
|
210
|
CCSC1C2C(CN[NH]2)NCN1
|
|
|
211
|
|
|
|
212
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
213
|
c1ccnc(c1)/C=C/c2ccco2
|
|
|
214
|
C1CCC(CC1)CC2CCC[NH]2
|
|
|
215
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
|
216
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
217
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
218
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
219
|
C1CCC2C(C1)C3C([NH]2)C(=O)C(CS3)C#N
|
|
|
220
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
221
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
222
|
CC1=C(Oc2ccccc2O1)c3ccccn3
|
|
|
223
|
CC1(Nc2c(nnc(n2)SCC(=O)[O-])-c3ccccc3O1)C
|
|
|
224
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
225
|
CCN(CC)CC#CC1=CCCC1
|
|
|
226
|
CCc1cc2c(s1)S[C@@H](NC2=O)c3ccccc3
|
|
|
227
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
228
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
|
229
|
CCn1cc(cn1)c2cncn2CCCC(C)(C)CO
|
|
|
230
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
231
|
Cn1cc(nc(c1=O)Nc2ccccc2)Br
|
|
|
232
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
|
233
|
C1CCC(CC1)n2c(=O)c(n[nH]2)C#N
|
|
|
234
|
c1c[nH]nc1c2nccs2
|
|
|
235
|
Cc1ccsc1/C(=N/c2n[nH]nn2)/[O-]
|
|
|
236
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
237
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
238
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
239
|
C[C@@]1(C(OC(=O)N1CCc2c[nH+]c[nH]2)(C)C)O
|
|
|
240
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
241
|
Cc1c(nc(o1)c2ccoc2)CN3CCC[C@H]3C(=O)OC
|
|
|
242
|
c1c(cn[nH]c1=O)N2CCCC2
|
|
|
243
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
244
|
c1ccnc(c1)/C(=N/c2n[nH]nn2)/[O-]
|
|
|
245
|
Cc1c(=O)nc([nH]n1)c2cccs2
|
|
|
246
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
|
247
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
|
248
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
|
249
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
250
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
251
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
252
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
253
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
254
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
255
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
|
256
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
257
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
258
|
Cc1ncc(c(n1)N)CSc2nc(ns2)SC
|
|
|
259
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
260
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
|
261
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
262
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
263
|
Cc1csc(n1)Cc2nc3ccccc3n2C
|
|
|
264
|
Cc1c(cc/c(=NC(=O)C(C)C)/[nH]1)Br
|
|
|
265
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
266
|
Cc1csc(n1)c2cc3ccccc3oc2=O
|
|
|
267
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
268
|
c1ccc-2c(c1)CNC(=O)c3c2cccc3
|
|
|
269
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
270
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
271
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
272
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
273
|
|
|
|
274
|
COc1ccc2c(n1)cc([nH]2)C=C
|
|
|
275
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
276
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
277
|
Cc1nc(no1)Cn2cccc(c2=O)C(F)(F)F
|
|
|
278
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
279
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
|
280
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
281
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
|
282
|
C1C2=C[C@@H]3C=C[C@H]2[C@@H](C=C3)NC1=O
|
|
|
283
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
284
|
c1cn(nc1CC(C(F)(F)F)(C(F)(F)F)O)C(=O)N
|
|
|
285
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
286
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
|
287
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
|
288
|
C1CCC2C(C1)[C@@H](CCS2)NC3CNCC(N3)CL
|
|
|
289
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
|
290
|
Cc1ccc2c(c1)[nH]/c(=Nc3nc(cc(n3)O)C)/o2
|
|
|
291
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
|
292
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
293
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
294
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
|
295
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
296
|
C1CNC([NH]1)[C@@H]2CCCCN2C(=O)C3CC3
|
|
|
297
|
Cc1nc(cs1)[C@@H]2COc3ccccc3O2
|
|
|
298
|
|
|
|
299
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
|
300
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
301
|
Cc1cc(c(c(=O)o1)c2ccn[nH]2)[O-]
|
|
|
302
|
Cn1c(nnc1SC)Cn2c3ccccc3sc2=O
|
|
|
303
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
304
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
|
305
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
306
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
307
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
308
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
|
309
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
310
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
311
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
312
|
c1c2c(n[nH]c1=O)CCCC2
|
|
|
313
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
|
314
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
315
|
Cc1nnc(o1)CCNS(=O)(=O)C
|
|
|
316
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
|
317
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
|
318
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
319
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
|
320
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
321
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
322
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
323
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
324
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
325
|
Cc1cnc(s1)Nc2cnc(nc2)SC
|
|
|
326
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
327
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
|
328
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
329
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
330
|
c1ccc(cc1)S[C@@H](c2ccco2)N3CCCC3
|
|
|
331
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
|
332
|
CC(C)(C)c1csc(n1)c2ccc(nc2)n3cncn3
|
|
|
333
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
334
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
|
335
|
COc1ccc(cc1)c2nnc3n2NCS3
|
|
|
336
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
337
|
c1cc(sc1)C(=O)c2[nH]ccn2
|
|
|
338
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
339
|
c1ccnc(c1)CCSc2nncs2
|
|
|
340
|
Cc1cc(ncn1)Nc2ccccc2
|
|
|
341
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
|
342
|
c1ccc(cc1)COc2cnc(nc2)C#N
|
|
|
343
|
CN(C)c1ccnc(c1C#N)Nn2cnnc2
|
|
|
344
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
|
345
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
|
346
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
347
|
Cc1cs/c(=N/c2c(nc[nH]2)C(=O)N)/n1c3ccccc3
|
|
|
348
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
349
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
|
350
|
C=CC[C@@H]1CCCCC(=O)N1
|
|
|
351
|
c1cc2c(nc1)NC3(N2)CCCCC3
|
|
|
352
|
c1ccnc(c1)Nc2nsc(=O)n2c3ccccn3
|
|
|
353
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
|
354
|
C1COC(N1)NC2CCCCC2
|
|
|
355
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
|
356
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
357
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
358
|
c1ccc2c(c1)[nH]c3n2ncn3
|
|
|
359
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
360
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
361
|
CC1(C=C(c2cc(ccc2C1=O)Br)c3ccccn3)C
|
|
|
362
|
CC(=O)c1csc(n1)c2ccno2
|
|
|
363
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
364
|
c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)Nc3nccs3
|
|
|
365
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
366
|
c1ccc2c(c1)C(=O)N[C@@]2(c3[nH]ccn3)O
|
|
|
367
|
Cc1ccc2c(n1)NCCC2=O
|
|
|
368
|
Cc1nc(on1)CN2CCSc3c2cccc3
|
|
|
369
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
370
|
c1cc(nc(c1)F)n2c(c(cn2)n3cncn3)O
|
|
|
371
|
C[C@@H]1[C@@H](NC2C(CNCN2)N1)C
|
|
|
372
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
373
|
C[C@@]1(COC(=N1)COc2ccccc2)CO
|
|
|
374
|
C[C@@H](Cc1ccco1)NS(=O)(=O)C
|
|
|
375
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
376
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
|
377
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
|
378
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
379
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
380
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
381
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
382
|
CCSc1nnc(s1)/N=C(/C2CCC2)[O-]
|
|
|
383
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
384
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
385
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
|
386
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
387
|
CS(=O)(=O)NCCOc1ccccc1
|
|
|
388
|
CC(=O)Nc1nnc(s1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
389
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
390
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
391
|
|
|
|
392
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
393
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
394
|
c1cc(n[nH]c1=O)NC2CC2
|
|
|
395
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
|
396
|
c1c[nH]c2c1c(cnc2)Cl
|
|
|
397
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
|
398
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
|
399
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
400
|
c1c(c(sc1Cl)Cl)C2=NCCNC2=O
|
|
|
401
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
402
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
|
403
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
|
404
|
COC(=O)CC1(C(=O)NC(=O)N=C1[O-])CC(=O)OC
|
|
|
405
|
CCc1c(nc(oc1=O)/C=C/c2ccccc2)[O-]
|
|
|
406
|
CCn1c2ccccc2nc1c3csnn3
|
|
|
407
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
|
408
|
c1ccc(cc1)N2CCCn3c4ccccc4nc3C2
|
|
|
409
|
CCCc1nncn1NC(=O)OCC
|
|
|
410
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
411
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
412
|
c1ccc2c(c1)CN3CCCC3=[NH+]2
|
|
|
413
|
|
|
|
414
|
c1cnc(nc1)N2CCc3c(ccs3)C2
|
|
|
415
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
|
416
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
417
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
|
418
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
|
|
419
|
CCc1n[n-]/c(=N/C(=O)c2c(c(c(c(c2F)F)F)F)F)/s1
|
|
|
420
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
421
|
|
|
|
422
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
|
423
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
424
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
425
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
|
426
|
c1cc2c(nc1)Nc3c(cccn3)O2
|
|
|
427
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
|
428
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
|
429
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
430
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
431
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
432
|
[H]/N=c/n(nc(s1)C(=O)C)c2ccccc2
|
|
|
433
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
|
434
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
|
435
|
COC(=O)N[C@@H]1CC=CC[C@@H]1F
|
|
|
436
|
CCCCn1c(nnn1)NC(=O)N(C)Cc2nc(no2)CC
|
|
|
437
|
c1ccnc(c1)Nc2cccs2
|
|
|
438
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
|
439
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
|
440
|
c1cc(ccc1NC(=O)Cc2[n-]nnn2)F
|
|
|
441
|
CSc1c2c(c(s1)C(=O)[O-])CCC=C2
|
|
|
442
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
443
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
|
444
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
445
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
|
446
|
c1ccc(cc1)Nc2ccccn2
|
|
|
447
|
c1ccc2c(c1)nnn2[C@H]3CCC[C@@H]4N3CCn5c4ccc5
|
|
|
448
|
Cn1cccc1CNc2[n-]nnn2
|
|
|
449
|
Cc1csc(n1)[C@@H](C#N)C2=NS(=O)(=O)c3c2cccc3
|
|
|
450
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
|
451
|
|
|
|
452
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
453
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
454
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
|
455
|
[H]/N=c/[nH]c-2c(s1)-c3cccc4c3c2ccc4
|
|
|
456
|
CC1CC(N(N1)C2=NS(=O)(=O)C3CCCCC3N2C)C
|
|
|
457
|
c1ccn(c1)c2ccc(cc2)SCC(=O)[O-]
|
|
|
458
|
c1nc-2[nH]c(c(nc2n1)N)[O-]
|
|
|
459
|
c1cnccc1c2cc3n(n2)CCNC3=O
|
|
|
460
|
CN(C)c1nc([nH]/c(=NS(=O)(=O)c2ccc(cc2)Cl)/n1)N
|
|
|
461
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
|
462
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
|
463
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
|
464
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
465
|
CCn1c2c(con2)c(=O)[nH]c1=O
|
|
|
466
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
467
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
468
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
|
469
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
470
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
471
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
472
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
473
|
Cn1cccc1c2csc(n2)c3ccco3
|
|
|
474
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
|
475
|
CC(C)CC(=O)C[C@@]1(CC[C@@H](O1)C2CCOC2)C
|
|
|
476
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
|
477
|
CN1CC(=O)N=C1/N=C(/C23CC4CC(C2)CC(C4)C3)[O-]
|
|
|
478
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
479
|
c1cc(sc1)CCNc2ncccn2
|
|
|
480
|
C[C@@H](n1cncn1)Oc2cccc(c2)Cl
|
|
|
481
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
482
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
|
483
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
484
|
Cc1c(c(sn1)C)Nc2c(c(ncn2)SC)C#N
|
|
|
485
|
c1ccc2c(c1)nc3c(n2)Sc4nncn4N3
|
|
|
486
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
487
|
c1ccc2c(c1)[nH]c(n2)/C=C/CCC=C3N4CCOCC4
|
|
|
488
|
c1ccc2c(c1)CC[NH+]=C(N2)N3CCOCC3
|
|
|
489
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
|
490
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
491
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
492
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
|
493
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
494
|
c1ccc(cc1)Nn2cncn2
|
|
|
495
|
C1=C[C@H]2[C@H]3C=C[C@@H]([C@@H]1C(=O)N2)NC3=O
|
|
|
496
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
497
|
CN[S@@](=O)NC1CC[NH]C(=O)N1
|
|
|
498
|
c1ccnc(c1)c2cn(cn2)c3cccc(c3)C#N
|
|
|
499
|
c1ccc(cc1)Sc2ccccn2
|
|
|
500
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
|
501
|
CC(C)NC(=O)CSc1nnns1
|
|
|
502
|
C1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](N2S(=O)(=O)N1)O)O)O)O
|
|
|
503
|
CC1=CC(=O)Nc2c(cccn2)O1
|
|
|
504
|
C(C(=O)[O-])Sc1nc(=O)c(ns1)[O-]
|
|
|
505
|
COC(=O)c1c(ccs1)Oc2ncccn2
|
|
|
506
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
507
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
|
508
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
509
|
c1ccc2c(c1)c(c3c(n2)[C@@H]4OC[C@H](C3)O4)C(=O)[O-]
|
|
|
510
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
|
511
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
512
|
COc1c2cc[nH]c2nc(n1)OC
|
|
|
513
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
|
514
|
CC(C)c1nc2n(n1)C3(CCCCC3)[C@@H]4CCCC[C@@H]4N2
|
|
|
515
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
516
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
517
|
C1CCC(CC1)C2NC(=O)[NH]C(=O)S2
|
|
|
518
|
Cc1c(c(on1)C)/C=C/c2c(=O)[nH]c3ccccc3n2
|
|
|
519
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
520
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
521
|
c1cc(cnc1)CNCCc2ccco2
|
|
|
522
|
Cn1cc(nc1C(=O)[O-])NC(=O)c2cccs2
|
|
|
523
|
c1ccc(cc1)S(=O)(=O)Nc2ccon2
|
|
|
524
|
|
|
|
525
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
526
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
|
527
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
|
528
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
529
|
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCNc2ccccn2
|
|
|
530
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
531
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
532
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
533
|
C1CCC2C(C1)[C@@H]3C4CCNCC4[C@H]2O3
|
|
|
534
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
535
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
536
|
C1CNC(=O)[C@@H]2[C@H]1CNC2=O
|
|
|
537
|
CCS(=O)(=O)Nc1cnn(c1C)C
|
|
|
538
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
|
539
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
|
540
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
|
541
|
c1cscc1c2c[nH]cc2C(=O)[O-]
|
|
|
542
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
543
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
544
|
CC(C)(C)C(=O)CC1=NC(=O)/C(=Cc2csnn2)/S1
|
|
|
545
|
|
|
|
546
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
|
547
|
CC(=O)Nc1cc2cccnc2sc1=O
|
|
|
548
|
CSc1c(=O)nc(sn1)Nc2ccccc2
|
|
|
549
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
550
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
|
551
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
|
552
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
|
553
|
Cnccs/c1=NC(=O)CNS(=O)(=O)c2cnn(c2)C
|
|
|
554
|
c1cc(cc2c1cc[nH]2)Cl
|
|
|
555
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
556
|
c1ccc(cc1)NC[C@@H]2COCO2
|
|
|
557
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
|
558
|
|
|
|
559
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
560
|
c1c[nH]nc1C2CCCCC2
|
|
|
561
|
CSc1c(c(c(s1)c2cc[nH]n2)c3ccco3)C#N
|
|
|
562
|
c1ccc(cc1)CCc2cnccn2
|
|
|
563
|
c1ccc(c(c1)C(=O)[O-])Sc2c(nccn2)Cl
|
|
|
564
|
C/C(=C/1C2CCCCC2NC1=O)/C3CCCO3
|
|
|
565
|
c1c(c2c([nH]c1=O)CCC2)[O-]
|
|
|
566
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
567
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
568
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
569
|
c1nc([nH]n1)c2c(non2)N
|
|
|
570
|
Cc1cc[nH]/c(=NS(=O)(=O)C)/c1
|
|
|
571
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
572
|