Menu
Virtual screening for IDP 3UDO - surface: 1
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
2
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
3
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
4
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
5
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
6
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
7
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
8
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
9
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
10
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
|
11
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
12
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
13
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
14
|
Cc1cc(n(n1)c2c(nc[nH]2)C(=O)NC)C
|
|
|
15
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
16
|
CCC[C@@H](C)n1c(nc2c1nccc2c3ccc(nc3C)O)CC
|
|
|
17
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
18
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
19
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
|
20
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
21
|
|
|
|
22
|
|
|
|
23
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
|
24
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
25
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
26
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
27
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
28
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
29
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
30
|
c1ccc2c(c1)ncn2c3c(nc4nccn4n3)C(F)(F)F
|
|
|
31
|
CC1=C(C[C@@H](C(=O)N1)C#N)c2ccc(cc2)n3ccnc3
|
|
|
32
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
|
33
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
34
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
35
|
c1ccc2c(c1)[C@@H]3Cc4cccnc4[C@]2(C3)O
|
|
|
36
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
37
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
38
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
|
39
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
40
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
41
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
42
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
43
|
CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
|
|
|
44
|
c1ccc2c(c1)c3c(c(=O)s2)nc[nH]3
|
|
|
45
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
|
46
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
47
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
|
48
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
49
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
50
|
c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
|
|
|
51
|
|
|
|
52
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
53
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
54
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
55
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
56
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
|
57
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
58
|
c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
|
|
|
59
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
60
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
61
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
|
62
|
c1cnn(c1)c2ccc(cc2c3nnc4n3ccnc4)F
|
|
|
63
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
64
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
65
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
|
66
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
67
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
|
68
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
69
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
|
70
|
C1Cc2c(nc(nc2c3c4c(nc(n3)N)CCC4)N)C1
|
|
|
71
|
|
|
|
72
|
Cc1csc(n1)c2c(nc3n2ccs3)C
|
|
|
73
|
CC1(Cc2c(cc3c4c([nH]c(=O)[nH]4)sc3n2)CO1)C
|
|
|
74
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
75
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
76
|
CCO[C@@H]1C2C(NC3CCCCC3N2)-C4CCCCC4N1C(=O)C
|
|
|
77
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
|
78
|
Cc1cc(nc2c1c(nn2C)n3c(c(nn3)C#N)N)C
|
|
|
79
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
|
80
|
Cc1ccc(c(c1)n2cccn2)c3c4c(nc[nH]4)ncn3
|
|
|
81
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
82
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
83
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
84
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
85
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
|
86
|
COC(=O)c1c(ccs1)n2cc(c(=O)[nH]c2=O)C#N
|
|
|
87
|
CN(C)C1CCC(CC1)/C=C/C2C3C(NCCN3)NC(N2)N
|
|
|
88
|
COc1ccccc1O[C@@H]2C(=O)NC(=NC2=O)c3ncccn3
|
|
|
89
|
Cc1nnc(o1)C(=O)c2c(c3ccccc3n(c2=O)C)OC(=O)C
|
|
|
90
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
|
91
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
92
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
93
|
CC1(OC[C@H]([C@H](O1)c2cccnc2)C/C=CCCC(=O)[O-])C
|
|
|
94
|
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
|
|
|
95
|
Cc1[nH]c(=O)c2c(n1)N=C(C[C@@H]2c3ccccc3)O
|
|
|
96
|
Cc1c(cn(n1)C(=O)C)c2nc(sn2)Nc3ccccc3
|
|
|
97
|
Cc1cn(c(n1)c2cccnc2)c3ccc(cc3)S(=O)(=O)C
|
|
|
98
|
CCn1c2ccccc2n3c1nnc3c4cc(nn4C)C
|
|
|
99
|
c1ccc(c(c1)C(=O)[O-])S[C@@H]2CCC(=O)N2
|
|
|
100
|
Cc1c2cc(cnc2on1)S(=O)(=O)[N-]c3cccnc3
|
|
|
101
|
c1csc(c1C#N)n2cc(c(=O)[nH]c2=O)C#N
|
|
|
102
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
103
|
c1ccc2c(c1)C(=O)C(C2=O)(c3c([nH]c(=O)[nH]c3=O)[O-])O
|
|
|
104
|
c1ccc(cc1)/C/2=N/c3ccccc3NC(=O)c4c2cccc4
|
|
|
105
|
CC/C(=C/C1CSC2C1CCCC2)/C3CCNCC3
|
|
|
106
|
Cc1cc(c2cccc(c2n1)O)n3cccn3
|
|
|
107
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
108
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
109
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
|
110
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
111
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
112
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
113
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
114
|
C1CCC2C(C1)CCN2[C@@H]3C4CCCCC4C(=O)O3
|
|
|
115
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
116
|
CC1C2C(ON1)C[C@@H](CC(=N2)C)C3CCCCC3O
|
|
|
117
|
CC1(C[C@@H](C(=O)C1)[C@@]23COC(=O)C(=C2C=C3)CO)C
|
|
|
118
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
119
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
120
|
Cc1c(c(sn1)C)Nc2c(c(ncn2)SC)C#N
|
|
|
121
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
122
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
123
|
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
|
|
|
124
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
125
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
126
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
127
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
128
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
129
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
|
130
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
|
131
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2n4cnc(n4)C#N
|
|
|
132
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
133
|
Cc1c(c(=O)[nH]c(n1)[O-])S(=O)(=O)CCC(=O)[O-]
|
|
|
134
|
Cc1nc(c(o1)n2cnc3c2cccc3)C#N
|
|
|
135
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
136
|
c1ccnc(c1)c2c[nH]nc2N3CCOCC3
|
|
|
137
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
138
|
c1ccc2c(c1)c-3c4c(nc(=[NH2+])c3c(o2)O)CCCCC4
|
|
|
139
|
c1cc(cnc1)c2cc(c3c(n2)nc(nc3[O-])N)C(F)(F)F
|
|
|
140
|
CCN1C=C2[C@@H](CN=C2c3c1cc(cc3)c4ccncc4)O
|
|
|
141
|
CC(=O)/N=c/c(nn(s1)C(=O)C)C(=O)N
|
|
|
142
|
Cc1ccc(cc1)N(CC2=NCNC2)c3cccc(c3)O
|
|
|
143
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
144
|
Cc1c-2c(n(n1)c3ccccn3)CCc4c2onc4
|
|
|
145
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
146
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
147
|
Cc1c(n2ccccc2n1)Sc3ccccc3
|
|
|
148
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
149
|
|
|
|
150
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
151
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
152
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
153
|
|
|
|
154
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
155
|
CN1CCN(CC1)C2=Nc3cc(ccc3Cc4c2cccc4)F
|
|
|
156
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
157
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
158
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
|
159
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
160
|
c1ccc2c(c1)c(ncn2)n3cncn3
|
|
|
161
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
162
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
163
|
CC1=NC(=O)[C@@H](C=C1c2ccc3nccn3c2)C#N
|
|
|
164
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
165
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
166
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
167
|
COC(=O)c1ncn(n1)CN2CCC[C@@H]2c3cccs3
|
|
|
168
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
169
|
c1ccc(cc1)c2c(oc3n2c(=O)ccc(=O)n3)c4ccccc4
|
|
|
170
|
c1c2c(sc1Cn3cc(c(nc3=O)[O-])C#N)CCCC2
|
|
|
171
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
172
|
c1ccc(cc1)[C@@H]2C=C(N=C3C2=C(NC(=O)N3)[O-])c4ccccc4
|
|
|
173
|
c1ccc2c(c1)N(CCS2)c3ccc(s3)C(=O)[O-]
|
|
|
174
|
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
|
|
|
175
|
Cc1c(c2c(c(c1N)C)[C@@H](C(O2)(C)C)c3cccnc3)C
|
|
|
176
|
C1CCC2C(C1)-C3CCCCC3[C@H]4[C@@H]2CC(=O)O[C@@H]4C(=O)[O-]
|
|
|
177
|
c1cc(ccc1c2cc(n(n2)C(=O)c3c(n[n-]n3)Cl)N)Cl
|
|
|
178
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
179
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
180
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
181
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
182
|
Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
|
|
|
183
|
COc1cc(cc(c1OC)OC)c2cc(=O)[nH]c(=O)[nH]c2=O
|
|
|
184
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
185
|
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
|
|
|
186
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
187
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
188
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
|
189
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
190
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
|
191
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
192
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
193
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
194
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
195
|
c1cc(ccc1c2c3c(c(ncn3)N4CCCC4)sn2)F
|
|
|
196
|
Cc1c-2c(oc1C(=O)[O-])CC(c3c2nc4ccccc4n3)(C)C
|
|
|
197
|
c1cc(sc1)c2cc(c(nc2c3nccs3)[O-])C#N
|
|
|
198
|
C1Cc2c(sc3c2c(c(c(=O)[nH]3)C#N)N)C1
|
|
|
199
|
c1cc2c(cc1S(=O)(=O)N3CCCCC3)N=C(CS2)O
|
|
|
200
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
201
|
CCOC(=O)N1CCC2C([NH]OC2=O)CC1
|
|
|
202
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
203
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
204
|
CCn1c2ccccc2c3c(c1=O)C(=Nc4ccccc4O3)C
|
|
|
205
|
Cc1ccc(cc1)S(=O)(=O)NC(=O)n2ccnc2C
|
|
|
206
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
207
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
208
|
c1ccc(cc1)[C@@H]2C(=O)Oc3cccnc3S2
|
|
|
209
|
c1cc(ccc1C(=O)[O-])/N=N/SCCO
|
|
|
210
|
CC1=CC2=C(C(=O)O[C@@]2([C@@H](C1)C3CCCCC3)C)C(=O)N
|
|
|
211
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
212
|
c1cc(oc1)c2cc[nH]c(=O)c2C#N
|
|
|
213
|
CCSc1nnc(o1)c2c(nc3n2ccs3)C
|
|
|
214
|
CN1C=NC2C(NCN2[C@@H]3CC[C@@H](O3)CO)[C@@H]1O
|
|
|
215
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
216
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
217
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
218
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
219
|
CC(C)(C#Cc1cncnc1)OC(=O)NC
|
|
|
220
|
c1cc(ccc1[C@@H]2c3cc4c(cc3NC5=C2C(=O)OC5)OCO4)F
|
|
|
221
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
|
222
|
c1cc2c(nc1)C(=O)c3ccc(cc3CC2)Cl
|
|
|
223
|
Cc1c(snn1)c2[nH]c3ccccc3n2
|
|
|
224
|
COC1CC2C(CC1OC)-C3C(OC(=O)N3CC2)C4CCCCC4
|
|
|
225
|
CCOC(=O)N/C(=C/c1ccccn1)/c2ccc(cc2)Cl
|
|
|
226
|
c1cc(sc1)c2cc(nc3c2c(c(o3)C(=O)[O-])N)C(F)(F)F
|
|
|
227
|
COC(=O)c1c(sc(n1)N2CCCCC2)C(=O)c3ccco3
|
|
|
228
|
Cc1ccc(cc1)n2c3c[nH]c(=O)nc3cn2
|
|
|
229
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
230
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
231
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
|
232
|
CC1NC(NO1)C2CN3C(C2C(C)C)C(=O)NC[NH]3
|
|
|
233
|
c1ccc2c(c1)N=C(C[C@@H](S2)c3cccs3)c4ccco4
|
|
|
234
|
|
|
|
235
|
c1ccc(cc1)c2c3c([nH]n2)OC(=O)C[C@@H]3c4ccccc4
|
|
|
236
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
237
|
Cc1nnc(s1)Sc2cc(nc(n2)N)Cl
|
|
|
238
|
c1ccc2c(c1)Cc3c(c(c(nc3S2)N)C#N)N
|
|
|
239
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
240
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
241
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
|
242
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
243
|
CCOc1cnc(o1)c2c(onc2c3ccccc3Cl)C
|
|
|
244
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
245
|
CC1C(C(ON1)C)C2=CCCCC3C2CCCC3
|
|
|
246
|
c1cc(ccc1[C@@]2(NC(=O)N=C3N2C=CC=C3)C(F)(F)F)Cl
|
|
|
247
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
248
|
c1cc(sc1)c2nn(c(=O)n2c3ccncc3)CCC#N
|
|
|
249
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
250
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
251
|
Cc1csc(n1)Sc2nnc(s2)c3ccccc3
|
|
|
252
|
C1CC(CCC1/C/2=C/C(=O)OC3CC(CCC3C[C@@H]2O)O)O
|
|
|
253
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
254
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
255
|
c1ccc2c(c1)N3CCCN2c4c3cc(nn4)Cl
|
|
|
256
|
CCOC(=O)c1c(cccc1OC)/C=C/c2c(ncs2)Cl
|
|
|
257
|
|
|
|
258
|
c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2)NCC3=COCCO3)F
|
|
|
259
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
260
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
|
261
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
262
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(cnn3)N2)c4ccco4
|
|
|
263
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
|
264
|
c1ccc(cc1)/C(=C/c2cccnc2)/N3CCCCC3
|
|
|
265
|
c1ccc(cc1)C2=C(C2(C#N)c3ccccc3)c4ccccc4
|
|
|
266
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
|
267
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
|
268
|
Cc1nc(no1)Cn2cccc(c2=O)C(F)(F)F
|
|
|
269
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
|
270
|
c1ccc(cc1)n2c(nnc2[O-])c3cccnc3
|
|
|
271
|
c1cc2c(csc2nc1)N3CCCC3
|
|
|
272
|
CCOC(=O)c1c2cccc3c2n(c1c4ccccc4)CCS3
|
|
|
273
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
274
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
275
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
|
276
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
277
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
278
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
279
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
280
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
281
|
CN1C=C[C@@H]2c3ccccc3[C@@H](C2=C1)c4ccccc4
|
|
|
282
|
COC1CC2C3C(C1)SCC(=O)N3NN2
|
|
|
283
|
Cc1ccc(cc1)/N=c/2c3c[nH]nc3[nH]cn2
|
|
|
284
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
|
285
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
286
|
|
|
|
287
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
288
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
289
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
290
|
c1cc(c2c(c1C3=CCCc4c3non4)non2)N
|
|
|
291
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
292
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
293
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
294
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
295
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
296
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
297
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
298
|
c1ccc2c(c1)c(ccn2)c3cocn3
|
|
|
299
|
c1ccc2c(c1)c(=O)[nH]c3n2nnc3
|
|
|
300
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
301
|
CC(C)(C)OC(=O)N1CCn2c(nnc2C(=O)[O-])C1
|
|
|
302
|
COC(=O)[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)N
|
|
|
303
|
c1cc(ccc1[C@@]2(CSc3n2c(=O)cc(c3)N)O)Cl
|
|
|
304
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
|
305
|
CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
|
|
|
306
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
|
307
|
|
|
|
308
|
COC(=O)/C=c/1c(=O)n2cnc(c2s1)C(=O)N
|
|
|
309
|
CCC/C=C/C2=C([C@@H]([C@@H](CC2)O)O)C(=O)O1
|
|
|
310
|
CO[C@@]12CCC(=O)N1C=CC3C2[NH]C4C3CCCC4
|
|
|
311
|
C1CCC2C(C1)CC[C@@H]3N2[C@@H]4C5CCCCC5C(=O)N4CC3
|
|
|
312
|
|
|
|
313
|
Cc1ccc(cc1)[S@@](=NC(=O)C)(=O)Oc2ccccc2
|
|
|
314
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
|
315
|
C[C@@H]1c2nc3ccccc3n2CN(CO1)c4ccc(cc4)F
|
|
|
316
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
|
317
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
318
|
|
|
|
319
|
Cc1ccc(cc1)n2c(nnn2)c3nc4ccccc4s3
|
|
|
320
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
321
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
322
|
c1ccc2c(c1)cc(c(=O)o2)C(=O)n3cccn3
|
|
|
323
|
C1C[NH+]=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
|
|
|
324
|
c1cc2c3c(c(=O)[nH]c2nc1)C=NCCO3
|
|
|
325
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
326
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
327
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
328
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
329
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
330
|
Cc1cn2c(nc(nc2n1)c3ccccc3)N
|
|
|
331
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
332
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
333
|
CC(=O)n1cc(cc1c2ccccc2)OC(=O)C
|
|
|
334
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
|
335
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
336
|
c1ccc2c(c1)-c3cccnc3C2=O
|
|
|
337
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
338
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
339
|
c1ccc2c(c1)CCC3=C(CC2=O)C(=O)OC3
|
|
|
340
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
341
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
|
342
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
343
|
Cc1ccc(cc1)n2cnc(=O)c(n2)C#N
|
|
|
344
|
C/C(=Nc1ccccc1)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
345
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
346
|
CC1NC(CS1)CN(C)CN2CNC(N2)C(=O)OC
|
|
|
347
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
348
|
c1ccc(cc1)[C@@H]2CC(=O)Nc3c2snc3C(=O)[O-]
|
|
|
349
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
|
350
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
|
351
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
352
|
CCOC(=O)/C=C(/c1cnc2n1cccc2)C(F)(F)F
|
|
|
353
|
COC(=O)c1cc(=O)n2c(s1)ncn2
|
|
|
354
|
c1ccc(cc1)n2c3c(cn2)c(ncn3)N
|
|
|
355
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
356
|
|
|
|
357
|
C[C@@]12C3CCCCC3C(=O)[C@]1(O[C@@](O2)(C)OC)C4CCCCC4
|
|
|
358
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
359
|
Cc1cccc(n1)n2cc(c(nc2=O)[O-])C#N
|
|
|
360
|
CCOC(=O)c1nn(c2n1c(=O)cc(n2)N)c3ccccc3
|
|
|
361
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
362
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
363
|
c1cocc1c2ncc(c(n2)NCCO)F
|
|
|
364
|
CC1C2C(N(N1)C3CCCCC3)[C@@H](NC2=O)CC4CCCCC4
|
|
|
365
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
366
|
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
|
|
|
367
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
368
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
369
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
370
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
371
|
Cc1c(non1)c2c3c(non3)n(n2)C(=O)C
|
|
|
372
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
373
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
|
374
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
375
|
Cc1nc(no1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
376
|
CCN1CCc2c(c([nH]c(=O)c2C#N)[O-])C1
|
|
|
377
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
|
378
|
CN1C(=NC(=O)C12COC(OC2)c3cccnc3)N
|
|
|
379
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
380
|
C1CCC(CC1)[C@@H]/2CC3CCCCC3C(=O)O/C=C2
|
|
|
381
|
Cc1c(c([nH]c1C)/C=C/C(=C(C=N2)C)C)C
|
|
|
382
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
383
|
c1ccc(cc1)C2=CC(=N[C@@]2(c3ccccc3)O)c4ccccc4
|
|
|
384
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
385
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
386
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
387
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
388
|
Cc1nc(on1)Cn2c(=O)n(c(=O)n(c2=O)CC=C)CC=C
|
|
|
389
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
390
|
Cc1c(c2n(c(=O)n1)CCN2)C(=O)Nc3ccc(cc3)Cl
|
|
|
391
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
392
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
393
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
|
394
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
395
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
|
396
|
Cc1ccc2c(c1)/C(=C/C(=O)N=C(N3)[O-])/C(=O)N2
|
|
|
397
|
CC[C@@H](c1nc(no1)C)NCc2cn(nc2C)CC=C
|
|
|
398
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
399
|
c1ccc(cc1)c2c3c(oc(=O)c2C(=O)[O-])C[C@@H](C=C3)O
|
|
|
400
|
CCOc1ccc(c(c1)O)c2c(cn[nH]2)c3ccc(cc3)OC
|
|
|
401
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
402
|
CC1C2C(C(CN1)CO)C=C3CCCC=C3O2
|
|
|
403
|
Cc1nnc(s1)Sc2c(n(c(=O)[nH]c2=O)C)N
|
|
|
404
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
405
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
406
|
|
|
|
407
|
c1ccc(cc1)C2=CC(=NC(=O)[C@@H]2C#N)c3ccccc3O
|
|
|
408
|
Cc1c(sc2n1ncn2)c3csc(n3)C
|
|
|
409
|
CCOCc1cn(c(nc1=[NH2+])C)CC(=O)c2ccccc2
|
|
|
410
|
Cc1c(non1)COc2ccc(cc2)C(=O)[O-]
|
|
|
411
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
412
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
413
|
CC(=O)c1ccc(c(c1)F)Sc2nncs2
|
|
|
414
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
415
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
416
|
CC(C)CN(Cc1cnc(nc1)COC)Cc2cnn(c2)C
|
|
|
417
|
Cc1cc(nc2c1c(on2)N)C
|
|
|
418
|
c1cc(ccc1/C=c/c(=O)n3c(=O)c(c(nc3s2)O)N)F
|
|
|
419
|
Cc1ncc(c(n1)N)CSc2nc(ns2)SC
|
|
|
420
|
c1cc(oc1)c2csc3c2c(=O)[nH]cn3
|
|
|
421
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
|
422
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
423
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
|
424
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
425
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
|
426
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
|
427
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
428
|
CN1CCN(CC1)C2=Cc3ccccc3Sc4c2cccc4
|
|
|
429
|
c1cc2c(cc1C(=O)[O-])N[C@@H](N2)C(F)(F)F
|
|
|
430
|
C/C(=C/C1CCCCC1)/CCC2=N[C@@H](CO2)C(=O)OC
|
|
|
431
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
432
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
433
|
c1ccc(cc1)c2c3c(c(nn2)[O-])nc[nH]3
|
|
|
434
|
|
|
|
435
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
436
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
437
|
COc1ccccc1Cc2c(nccn2)Cl
|
|
|
438
|
CC1=[NH+]c2ccc(cc2-c3c(c4ccccc4[nH]3)N1)Cl
|
|
|
439
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
|
440
|
CC1=Cc2c(c(c(c(c2C#N)N)C(=O)OC)C(=O)OC)C1
|
|
|
441
|
Cn1cc2c(c1c3ccc(cc3)N)c(=O)[nH]nc2[O-]
|
|
|
442
|
CC1=C([C@@]2(c3ccccc3-c4c2nc(o4)N)C(=O)N1)C(=O)OC
|
|
|
443
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
|
444
|
CCOc1ccc2c(c1)cc(c3n2c(=O)n(n3)C)C4OCCO4
|
|
|
445
|
COCCN1C2C(C(NC(N2)N)N)N=C3C1=CCCC3
|
|
|
446
|
c1ccc2c(c1)CCC3=C(C=C2)C(=O)OC3
|
|
|
447
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
448
|
CC(=O)N[C@@H]1CCC2CCCCC2-C3C1CC(=O)CCC3
|
|
|
449
|
Cn1c(cnc1c2cc(=O)c3ccccc3o2)Cl
|
|
|
450
|
|
|
|
451
|
c1ccc(cc1)c2cc3c(nccn3n2)Cl
|
|
|
452
|
c1ccc(cc1)c2c3c(c(ncn3)[O-])sn2
|
|
|
453
|
CN1CCn2ccc3c2c1nc(=O)[nH]3
|
|
|
454
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
455
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
456
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
457
|
c1ccc2c(c1)C(=O)[C@@H]3CCN4[C@H]3N2C(=O)c5c4cccc5
|
|
|
458
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
459
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
460
|
Cc1c2c(n3c(n1)c(cn3)C#N)N(CC2)Cc4ccco4
|
|
|
461
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
|
462
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
463
|
Cc1c(c(=O)[nH]c(=O)[nH]1)c2cccc(c2)n3cccn3
|
|
|
464
|
COC(=O)c1cc2c([nH]1)cc(nc2Cl)Cl
|
|
|
465
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3c(=O)ccc(n3)c4ccco4
|
|
|
466
|
C[C@@]1(COC(=O)N1)[C@@H]2CCc3cc(ccc3C2)O
|
|
|
467
|
CCOC(=O)[C@@]12CCC[C@@]1(NC(=O)C3C2CCNC3)O
|
|
|
468
|
|
|
|
469
|
Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O
|
|
|
470
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
|
471
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
472
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
|
473
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
474
|
CCn1c2ccccc2nc(c1=O)[C@H]3c4ccccc4NC3=O
|
|
|
475
|
Cc1c2c(n[nH]1)Oc3c(c(c(c(=O)[nH]3)C#N)N)[C@@H]2c4ccccc4
|
|
|
476
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
|
477
|
c1ccc2c(c1)Oc3c(c(nc(c3F)F)F)O2
|
|
|
478
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
479
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
480
|
[H]/N=c/n(c(c(s1)C2=c3ccccc3=NC2=O)O)C
|
|
|
481
|
C1CCC(CC1)[C@@H]2C3CCSC3-N4CCCC4C(=O)O2
|
|
|
482
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
483
|
Cc1ccccc1C=C2C(=O)NC(=O)NC2=O
|
|
|
484
|
Cn1cc(ccc1=O)c2c(cccn2)Cl
|
|
|
485
|
CN1C=C[C@@H](C2C1CCCC2)[C@@H](C#N)C3CCCCC3
|
|
|
486
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
|
487
|
CCOC(=O)[C@@H]1C2C(NC3CCCCC3N2)N4[C@@H]1CCC4
|
|
|
488
|
COC(=O)c1ccc(o1)[N-]S(=O)(=O)c2ccccc2
|
|
|
489
|
|
|
|
490
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
|
491
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
|
492
|
|
|
|
493
|
CCN1c2cscc2S(=O)(=O)N(C1=O)Cc3ccccn3
|
|
|
494
|
CC(C)/C=C/c2nc3c(c(=O)n2[C@@H](C(=O)N1)C(C)C)C=CC=CO3
|
|
|
495
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
|
496
|
Cc1cn2c3c(=O)[nH]c(=O)n(c3nc2o1)C
|
|
|
497
|
Cc1c2c(c(no2)c3ccccc3)nc(n1)C
|
|
|
498
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
|
499
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
500
|
CCOc1ccc(cc1)N2C(=O)CN=C3C2=NCCC3
|
|
|
501
|
c1ccc2c(c1)CCC3=C2CCC(=O)N3
|
|
|
502
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
503
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
504
|
CN1c2ccc(cc2-c3n[nH]c(=O)c(=O)n3CC1=O)Cl
|
|
|
505
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
506
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
|
507
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
508
|
c1c2c(c(=O)[nH]n1)Sc3cn[nH]c(=O)c3S2
|
|
|
509
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
510
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
511
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
|
512
|
Cc1cc(on1)n2c(nc3ccccc3c2=O)C
|
|
|
513
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
514
|
c1cnc(nc1)Sc2cnnc(c2Cl)[O-]
|
|
|
515
|
COC(=O)[C@@]12CC3CCCCC3[C@@H]([C@@H]1C4C2CCCC4)O
|
|
|
516
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
517
|
COC1CC2C(CC1OC)[C@@H]3CNC(=O)[C@@H]3[C@@H](C2)C4CCCCC4
|
|
|
518
|
C[C@@H](c1ccnc(n1)N)n2cncn2
|
|
|
519
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
520
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
521
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
|
522
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
|
523
|
Cn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
524
|
COC(=O)N1C[C@@H]2CC=C[C@@H](C2)C3C1CCCC3
|
|
|
525
|
c1cc(oc1)Cn2c(=O)c3cnc(nc3nc2[O-])n4ccnc4
|
|
|
526
|
c1ccc(cc1)c2cc(nc3c2c4c(o3)oc(n4)N)c5ccccc5
|
|
|
527
|
CCc1n[n-]/c(=N/C(=O)c2c(c(c(c(c2F)F)F)F)F)/s1
|
|
|
528
|
c1ccc2c(c1)C(=O)NS(=O)(=O)c3ccccc3S2
|
|
|
529
|
Cn1cc(nc1)S(=O)(=O)Oc2ccsc2C(=O)OC
|
|
|
530
|
Cc1c(c(on1)C)Cc2ccc(s2)C(=O)[O-]
|
|
|
531
|
COC(=O)C[C@@]1(C(=C(C(=N1)[O-])N)C(=O)OC)C(=O)OC
|
|
|
532
|
Cc1c(c(on1)C)/C=C/c2c(=O)[nH]c3ccccc3n2
|
|
|
533
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
|
534
|
Cc1nnc(o1)[C@H]2CCN(C2)C(=O)C
|
|
|
535
|
c1ccc(cc1)C2=Nc3c(non3)NC=C2
|
|
|
536
|
C[C@@]1(C(=O)C2CCCN2-C3CCCCC3O1)C4CCCCC4
|
|
|
537
|
CCO[C@@H]1C=C(Oc2c1cccc2)c3ccc(cc3)F
|
|
|
538
|
c1ccc-2c(c1)CCc3n2c(nn3)c4cccnc4
|
|
|
539
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
540
|
C[C@@H]1c2nnc(n2N[C@@H](O1)c3ccccc3Cl)[C@@H](C)O
|
|
|
541
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
542
|
c1ccc2c(c1)[C@@H]3[C@H]4C(=Nc5ccccc5N3C2=O)CCCC4=O
|
|
|
543
|
CS(=O)(=O)N1CCCN(CC1)Cc2nnnn2C3CC3
|
|
|
544
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
545
|
COc1ccc(c(c1)O)c2c(cn[nH]2)c3ccccc3OC
|
|
|
546
|
CCOC(=O)N1CCC(=CC1)c2c(nn(c2N)C)C
|
|
|
547
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
548
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
|
549
|
CCOC(=O)c1nc(on1)Oc2ccc(cc2Cl)Cl
|
|
|
550
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
|
551
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
|
552
|
Cc1nc(cs1)c2nc(no2)c3ccc(cc3)CO
|
|
|
553
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
554
|
Cccccn(/c1=[NH+]C(=O)c2ccco2)C(=O)c3ccco3
|
|
|
555
|
CC1(CC2(C3=C(O1)C(=O)OC3)Nc4ccccc4N2)C
|
|
|
556
|
C1CNC2/C(=C/3N=NNS3)/C(=O)[NH]N2C1=O
|
|
|
557
|
CC1=N[C@@H](C(=N[C@@H](C1)c2ccc(cc2)Cl)C#N)C#N
|
|
|
558
|
c1ccc2c(c1)c(sn2)N3CCCCCC3
|
|
|
559
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
560
|
C1CCC2CC3C(CC2C1)[C@@]4(C5CCCCC5C(=O)[C@@]4(O3)O)O
|
|
|
561
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
562
|
C[C@@H]1C2C(CC(NC2[O-])OC(=O)C)C(=N1)OC(=O)C
|
|
|
563
|
C1C2=C[C@@H]3C=C[C@H]2[C@@H](C=C3)NC1=O
|
|
|
564
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
|
565
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
566
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
567
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
568
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
569
|
c1cc2c(c(c(o2)c3ccncc3)c4ccc(cc4)F)nc1
|