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Virtual screening for IDP 3Q62 - surface: 1
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
2
|
|
|
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3
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
4
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
5
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
6
|
|
|
|
7
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
8
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
|
9
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
10
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
11
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
12
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
13
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
14
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
15
|
|
|
|
16
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
17
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
18
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
19
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
20
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
21
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
22
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
23
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
24
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
25
|
CCOCc1cn(c(nc1=[NH2+])C)CC(=O)c2ccccc2
|
|
|
26
|
CCO[C@@H]1C=C/C(=C/C#Cc2ccccc2)/O1
|
|
|
27
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
28
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
29
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
30
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
31
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
32
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
|
33
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
|
34
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
35
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
36
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
|
37
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
38
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
39
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
40
|
Cc1cc(no1)/N=C(C)/Cc2nc(sn2)NC[C@H]3CCCO3
|
|
|
41
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
|
42
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
43
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
44
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
45
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
46
|
|
|
|
47
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
|
48
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
49
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
50
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
51
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
52
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
53
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
54
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
55
|
|
|
|
56
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
57
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
|
58
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
59
|
CS(=O)(=O)NCCOc1ccccc1
|
|
|
60
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
61
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
62
|
|
|
|
63
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
64
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
65
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
66
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
67
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
68
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
69
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
70
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
|
71
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
72
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
73
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
74
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
75
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
76
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
77
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
78
|
CCOC(=O)C1=C(Oc2ccccc2NC1=O)N
|
|
|
79
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
80
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
81
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
82
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
83
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
|
84
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
|
85
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
86
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
|
87
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
|
88
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
|
89
|
CN(C)c1nc(nc(n1)N)Cn2cc[nH+]c2
|
|
|
90
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
91
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
|
92
|
c1ccc(cc1)c2nnn(n2)CCS(=O)(=O)N3CCOCC3
|
|
|
93
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
94
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
95
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
96
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
|
97
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
98
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
99
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
100
|
C[C@@H]1CNC(=O)C2=C1N=C(C2)c3ccncc3
|
|
|
101
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
|
102
|
c1ccc2c(c1)NC3(S2)NC(=O)C(=O)C(=O)N3
|
|
|
103
|
Cc1ccccc1NC2=NC(=[NH+]C(N2)(C)C)N
|
|
|
104
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
105
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
|
106
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
107
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
108
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
109
|
|
|
|
110
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
111
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
112
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
113
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
114
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
115
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
116
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
117
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
118
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
119
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
|
120
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
121
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
122
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
123
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
124
|
CSc1nc2c(cc(s2)c3ccccc3)nn1
|
|
|
125
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
126
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
127
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
128
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
129
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
130
|
c1ccc(cc1)c2nc(nc(n2)n3cccc3)N
|
|
|
131
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
132
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
|
133
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
134
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
135
|
C1CCC(CC1)C(=O)N[C@@H]2C(=O)NN=C2[O-]
|
|
|
136
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
137
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
138
|
|
|
|
139
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
|
140
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
|
141
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
|
142
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
143
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
|
144
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
145
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
|
146
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
147
|
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
|
|
|
148
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
|
149
|
c1cc(ccc1C2=CCn3c(nnn3)N2)F
|
|
|
150
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
|
151
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
152
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
|
153
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
154
|
c1cc(ccc1NC(=O)Cc2[n-]nnn2)F
|
|
|
155
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
156
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
157
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
158
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
159
|
Cc1ccc(cc1)c2c(c(=O)c2=O)NCCOC
|
|
|
160
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
|
161
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
|
162
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
163
|
c1ccc(cc1)CCn2cnnn2
|
|
|
164
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
|
165
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
|
166
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
167
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
|
168
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
169
|
CCOC(=O)N1CCC(CC1)c2c(c(n[nH]2)O)C
|
|
|
170
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
171
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
172
|
COC(=O)c1cc2c(o1)Sc3ccccc3NC2=O
|
|
|
173
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
174
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
175
|
c1cc(oc1)C2=CC(=O)Nc3c(non3)N2
|
|
|
176
|
Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O
|
|
|
177
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
|
178
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
179
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
|
180
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
|
181
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
182
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
|
183
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
184
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
185
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
186
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
|
187
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
188
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
|
189
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
190
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
|
191
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
192
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
|
193
|
CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
|
|
|
194
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
195
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
|
196
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
197
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
198
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
199
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
200
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
201
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
202
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
203
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
|
204
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
205
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
206
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
|
207
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
|
208
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
209
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
|
210
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
211
|
c1ccc(cc1)[C@@H]2OCc3c(ccc(n3)CO)O2
|
|
|
212
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
|
213
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
|
214
|
|
|
|
215
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
|
216
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
217
|
CC(C)(C)OC(=O)N1CCC(CC1)Cc2cnc[nH]2
|
|
|
218
|
c1cc(cc(c1)Cl)n2ccc(n2)c3cnccn3
|
|
|
219
|
c1ccc(cc1)CNn2cnnn2
|
|
|
220
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
221
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
222
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
223
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
224
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
225
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
226
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
|
227
|
Cc1nc(no1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
228
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
229
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
|
230
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
|
231
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
232
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
233
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
|
234
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
235
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
236
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
237
|
CC1NNC(O1)NC(=O)C2CCC(CC2)C#N
|
|
|
238
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
|
239
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
|
240
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
241
|
c1cnccc1c2cc3n(n2)CCNC3=O
|
|
|
242
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
|
243
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
244
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
245
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
246
|
CCOC(=O)N1CCN(CC1)C2NNC3NCCN3N2
|
|
|
247
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
248
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
249
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
250
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
251
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
|
252
|
Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C
|
|
|
253
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
254
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
|
255
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
|
256
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
257
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
258
|
c1ccc(cc1)CNc2c(non2)O
|
|
|
259
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
260
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
261
|
Cc1ccc(cc1)OS(=O)(=O)c2cc(n(c2)C)C(=O)N
|
|
|
262
|
|
|
|
263
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
|
264
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
265
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
266
|
Cc1nc(co1)C#Cc2cccnc2
|
|
|
267
|
|
|
|
268
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
269
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
270
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
|
271
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
272
|
c1cc(ccc1C2=CC=NS(=O)(=O)N2)Cl
|
|
|
273
|
c1ccc(cc1)NCn2cncn2
|
|
|
274
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
275
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
276
|
Cc1cn2c(nc(nc2n1)c3ccccc3)N
|
|
|
277
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
278
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
|
279
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
280
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
|
281
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
|
282
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
283
|
Cc1cc(no1)C(=O)N=[S@@](=O)(C)c2ccccc2
|
|
|
284
|
[H]/N=c/n(cc(o1)c2ccc(cc2)CC)c3nc(cc(n3)C)C
|
|
|
285
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
286
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
|
287
|
CC#CC(=O)COC/C(=C/C=C)/C
|
|
|
288
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
|
289
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
|
290
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
291
|
C1CCC(CC1)C(=O)NN2CCNN2
|
|
|
292
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
293
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
294
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
295
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
|
296
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
|
297
|
Cc1nnc(s1)SCC2=NN(C(=O)C2)c3ccccc3
|
|
|
298
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
299
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
300
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
301
|
CC1NCC2C(N1)N=C(NC2)C3CCC(CC3)CL
|
|
|
302
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
303
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
|
304
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
305
|
Cc1nc(cs1)Cn2c(=O)oc(n2)c3ccc(cc3)F
|
|
|
306
|
CCO[C@@H]1C[C@@H](C=CO1)c2ccccc2
|
|
|
307
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
308
|
Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N
|
|
|
309
|
c1cc(ccc1/C=c/c(=O)n3c(=O)c(c(nc3s2)O)N)F
|
|
|
310
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
|
311
|
c1cc2c(cc1c3ccc(s3)C(=O)N)NCCO2
|
|
|
312
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
313
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
314
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
315
|
c1ccc(cc1)S[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
|
316
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
|
317
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
|
318
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
319
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
320
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
321
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
322
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
323
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
|
324
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
325
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
|
326
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
|
327
|
|
|
|
328
|
Cc1nnc(o1)Nc2ccccc2
|
|
|
329
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
330
|
c1cnn(c1)c2ccc(cc2)c3cnco3
|
|
|
331
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
332
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
333
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
334
|
c1ccc(cc1)C[C@@H]2CCOC(=O)N2
|
|
|
335
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
|
336
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
337
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
|
338
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
339
|
c1ccc(cc1)c2ccc(oc2=O)C(=O)c3ccccc3
|
|
|
340
|
CCOc1nnc(o1)[N-]S(=O)(=O)c2ccc(cc2)N
|
|
|
341
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
|
342
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
343
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
344
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
345
|
C/C(=C/Oc1ccccc1)/C=C/OC
|
|
|
346
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
|
347
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
348
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
|
349
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
350
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
|
351
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
352
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
353
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
354
|
|
|
|
355
|
CCOC(=O)C1=NC2=CCn3ccnc3C2=C1
|
|
|
356
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
|
357
|
c1nc(nn1CCC#N)N=N=N
|
|
|
358
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
359
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
360
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
|
361
|
Cc1nc(on1)NC(=O)c2ccccc2
|
|
|
362
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
|
363
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
|
364
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
|
365
|
|
|
|
366
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
367
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
|
368
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
369
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
370
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
|
371
|
Cc1c(sc(n1)NC(=O)C)c2nc(no2)c3ccccc3
|
|
|
372
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
373
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
374
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
375
|
COC(=O)c1ncn(n1)CN2CCC[C@@H]2c3cccs3
|
|
|
376
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
377
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
|
378
|
Cc1c(snn1)c2[nH]c3ccccc3n2
|
|
|
379
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
|
380
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
381
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
382
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
383
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
|
384
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
385
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
|
386
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
|
387
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
388
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
|
389
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
390
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
391
|
|
|
|
392
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
393
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
|
394
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
395
|
|
|
|
396
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
397
|
c1ccc(cc1)COc2c(non2)N
|
|
|
398
|
CCOC(=O)NC#CNC(=O)OCC
|
|
|
399
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
400
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
|
401
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
402
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
403
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
|
404
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
405
|
Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
|
|
|
406
|
Cc1cc2[nH]nc(n2n1)c3ccccc3
|
|
|
407
|
c1ccc(cc1)CNc2cnccn2
|
|
|
408
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
409
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
|
410
|
c1cc(ccc1C#N)OC(=O)c2csnn2
|
|
|
411
|
CS(=O)(=O)NC1=NCN(CN1)C2CC2
|
|
|
412
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
413
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
414
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
|
415
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
416
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
|
417
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
|
418
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
|
419
|
Cc1cc(n(n1)CCc2nnco2)C
|
|
|
420
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
421
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
422
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
423
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
424
|
Cc1ccn(n1)CC/N=C/[C@@H](C(=O)C2=O)NCCCOC
|
|
|
425
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
426
|
Cc1nc(on1)[C@@H](C)Nc2ccc(nc2)OC
|
|
|
427
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
|
428
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
|
429
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
430
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
431
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
432
|
c1cc(sc1)Cc2nc(c(o2)N)C#N
|
|
|
433
|
CCCSc1[n-]s/c(=NC(=O)Cn2c(=O)ccc(n2)O)/n1
|
|
|
434
|
CCCCN1CC(=O)N=C1Nc2ccccc2
|
|
|
435
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
436
|
CCCCc1cn(nn1)CC2CCN(CC2)C(=O)C
|
|
|
437
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
|
438
|
c1ccc(cc1)C2=NC(=O)CC(=O)N2
|
|
|
439
|
c1ccc(cc1)[C@H]2C[C@](N=C(N2)N)(C(F)(F)F)O
|
|
|
440
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
441
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
442
|
c1cc(cc(c1)n2cccn2)c3[n-]nnn3
|
|
|
443
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
444
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
445
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
446
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
447
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
448
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
449
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
|
450
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
451
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
452
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
453
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
454
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
455
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
|
456
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
|
457
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
|
458
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
|
459
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
|
460
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
461
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
462
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
463
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
|
464
|
Cc1cc(cc(c1)NC(=O)c2c(nco2)C)C
|
|
|
465
|
Cc1cc(nc(n1)C2=[NH+]c3ncnn3[C@@H](N2)c4ccccc4)C
|
|
|
466
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
467
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
|
468
|
CN(C)C(=O)c1coc2c1nc3ccccc3n2
|
|
|
469
|
c1ccc(cc1)NC(=O)/C=c/c(nc3n2ncn3)O
|
|
|
470
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
471
|
c1ccnc(c1)SCCn2cccn2
|
|
|
472
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
|
473
|
c1ccc(cc1)Nc2ccccn2
|
|
|
474
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
|
475
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
476
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
|
477
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
|
478
|
CC1=N[C@@H](C(=N[C@@H](C1)c2ccc(cc2)Cl)C#N)C#N
|
|
|
479
|
C[C@H]1OC[C@@H]([C@@H](O1)/C=C/C(=C/C(=O)OC)/C)O
|
|
|
480
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
481
|
COc1ccc(cc1)c2cnnn2Cc3ccco3
|
|
|
482
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
|
483
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
484
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
485
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
|
486
|
C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N
|
|
|
487
|
CCOC1NC(=O)N(S1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
488
|
C1CCC(CC1)N2CNc3nnnn3C2
|
|
|
489
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
490
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
|
491
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
|
492
|
c1cc(cnc1)CCNCc2cscn2
|
|
|
493
|
Cc1c(sc(n1)C)c2nnc(o2)N
|
|
|
494
|
C1CCC(CC1)n2c(=O)c(n[nH]2)C#N
|
|
|
495
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
496
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
497
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
|
498
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
|
499
|
Cn1cccc1CNc2[n-]nnn2
|
|
|
500
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
|
501
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
|
502
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
|
503
|
Cc1ccc(cc1)[C@@H]2C(=NS(=O)(=O)[N-]2)N
|
|
|
504
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
505
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
|
506
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
507
|
c1cc(oc1)CNc2nnns2
|
|
|
508
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
509
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
|
510
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
511
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
512
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
513
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
|
514
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
|
515
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
|
516
|
CC[C@@H](c1nc(no1)C)NCc2cn(nc2C)CC=C
|
|
|
517
|
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCNc2ccccn2
|
|
|
518
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
519
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
520
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
|
521
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
|
522
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
|
523
|
CCC(=O)CC/C=C/C#CC#CC#CC
|
|
|
524
|
Cc1cc(=O)cc(o1)/C=C/c2ccnn2C
|
|
|
525
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
526
|
C1CCC(CC1)/C=C/N2CCNC2
|
|
|
527
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
|
528
|
Cc1nc(cs1)c2nc(cs2)C(=O)C
|
|
|
529
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
530
|
COC(=O)C[C@@H]1Cn2c(nc(n2)C(F)(F)F)N=C1[O-]
|
|
|
531
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
532
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
|
533
|
CC1C(N(C(C1C#C)C)C)/C=C/C(=C/C(=O)OC)/C
|
|
|
534
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
535
|
|
|
|
536
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
|
537
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
|
538
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
|
539
|
c1cc(cc(c1)S(=O)(=O)/N=c/2[nH]c(c3c(n2)nc[nH]3)[O-])C#N
|
|
|
540
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
541
|
CC(=O)Nc1cc(n[nH]1)c2ccc(cc2)F
|
|
|
542
|
C1CCC2C(C1)NC3=C(N2)O[C@@H](C3=O)C4CCCO4
|
|
|
543
|
Cc1c(cno1)c2cn3ccccc3n2
|
|
|
544
|
c1ccc(cc1)Nc2nc(ns2)N
|
|
|
545
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
|
546
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
|
547
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
|
548
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
549
|
COCCC/N=C/[C@@H](C(=O)C1=O)NCCO
|
|
|
550
|
CCC/N=c/c(=N/c2cccnc2)/c(c1O)O
|
|
|
551
|
CCOc1nnc(s1)CN2CCOCC2
|
|
|
552
|
CC(=O)OC#CCCCS(=O)(=O)[O-]
|
|
|
553
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
|
554
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
555
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
556
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
|
557
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
|
558
|
Cc1cc(=O)n([nH]1)c2cc(nc(n2)c3ccccc3O)C
|
|
|
559
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
560
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
561
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
|
562
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
563
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
564
|
c1ccc2c(c1)c(c[nH]2)/C=N/c3nccs3
|
|
|
565
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
566
|
CC(C)CN1N(O1)CCOC(=O)NC2CCCCC2
|
|
|
567
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
|
568
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
|
569
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|