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Virtual screening for IDP 3QFK - surface: 1
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
2
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
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3
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
4
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
5
|
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
|
|
|
6
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
|
7
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
8
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
9
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
10
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
11
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
12
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
13
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
14
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
15
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
16
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
17
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
18
|
|
|
|
19
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
20
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
21
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
22
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
23
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
24
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
25
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
26
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
27
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
28
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
29
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
30
|
|
|
|
31
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
32
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
33
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
34
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
35
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
36
|
COc1ccc(cc1)C2=NCC(=NC2)c3ccc(cc3)OC
|
|
|
37
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
38
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
39
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
40
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
41
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
42
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
43
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
44
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
45
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
46
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
47
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
48
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
49
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
50
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
51
|
CCOc1ccc(cc1)NC(=O)CN/C2=Nc3ccccc3F
|
|
|
52
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
53
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
54
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
55
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
56
|
CC/C=C(C)/C=C/C/C(=C/[C@@H](C(=O)N1CC[C@@H]([C@@H]1OC)O)O)/C
|
|
|
57
|
COc1cc(ccc1O)C#CC#CCN2CCCCC2
|
|
|
58
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
59
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
60
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
61
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
62
|
|
|
|
63
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
64
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
65
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
66
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
67
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
68
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
69
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
70
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
71
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
72
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
73
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
74
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
75
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
76
|
Cc1ccc(cc1)C2=Nc3ccccc3NC(=N2)c4ccncc4
|
|
|
77
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
78
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
79
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
80
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
81
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
|
82
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
83
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
84
|
C[C@@H](Cc1ccccc1)N(CC#C)C(=O)OC2=CCN(CC2)C
|
|
|
85
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
86
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
87
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
88
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
|
89
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
90
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
91
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
92
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
|
93
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
94
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
95
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
96
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
97
|
c1cc2c(c(c(o2)c3ccncc3)c4ccc(cc4)F)nc1
|
|
|
98
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
99
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
100
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
101
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
102
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
103
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
104
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
105
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
106
|
c1ccc(cc1)c2nc([o+]c(n2)c3ccccc3)c4ccccc4
|
|
|
107
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
108
|
Cc1c(ccc(=O)n1c2ccccc2)n3c4ccccc4nn3
|
|
|
109
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
110
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
111
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
112
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
113
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
114
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
115
|
C#CCCCNc1c(=O)n(cc(n1)Cl)c2ccccc2
|
|
|
116
|
|
|
|
117
|
c1ccc(cc1)[C@@H]2C=C(N3C(=N2)N=NN3)c4ccccc4
|
|
|
118
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
119
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
120
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
121
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
122
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
|
123
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
124
|
c1ccc2c(c1)-c3nc4ccccc4n3[C@H](N2)c5ccco5
|
|
|
125
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
126
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
127
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
|
128
|
Cc1ccc(cc1)n2c(c(nn2)C(=O)n3c(cc(n3)C)C)C
|
|
|
129
|
c1ccc(cc1)c2c(=O)cc3n(n2)c(=O)c4ccccc4s3
|
|
|
130
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
131
|
CC1(c2nnnn2-c3cc(ccc3C(=O)N1)C(=O)OC)C
|
|
|
132
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
133
|
CCC(CC)Nc1c(nc(c(n1)C)Oc2cc(ccn2)C)C
|
|
|
134
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
135
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
136
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
137
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
138
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
139
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
140
|
CCn1c2ccccc2n3c1nnc3c4cc(nn4C)C
|
|
|
141
|
c1ccc2c(c1)-c3nc(nn3[C@@H](N2)c4ccc(cc4)Cl)C5CC5
|
|
|
142
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
143
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
144
|
COc1ccccc1O[C@@H]2C(=O)NC(=NC2=O)c3ncccn3
|
|
|
145
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
146
|
COC1CCC(CC1)/C=C/2C(=C)[NH]N(C2=O)CC3CCCCC3
|
|
|
147
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
148
|
|
|
|
149
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
150
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
151
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
152
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
153
|
c1c2c(cc(c1N3CCCC3)F)nc(c(n2)N)C#N
|
|
|
154
|
CC1CCN(CC1)c2ncc3c(n2)-c4cn(nc4NCC3)C
|
|
|
155
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
156
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
157
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
158
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
159
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
160
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
161
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
162
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
163
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
164
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
165
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
166
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
167
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
168
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
169
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
170
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
171
|
[H]/N=C/1N[C@H](N/C(=N/c2ccc(cc2)Cl)/N1)c3ccc(cc3)OC
|
|
|
172
|
CC(=O)c1c(n(nn1)C2CCCCC2)NC3CCCCC3
|
|
|
173
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
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174
|
c1ccc(cc1)c2ccc(oc2=O)C(=O)c3ccccc3
|
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175
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
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176
|
CCC[C@@H](C)n1c(nc2c1nccc2c3ccc(nc3C)O)CC
|
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177
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
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178
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
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179
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
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180
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
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181
|
c1ccc(cc1)/C=C/2CCC=C2N3CCOCC3
|
|
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182
|
CCCCc1cn(nn1)CC2CCN(CC2)C(=O)C
|
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183
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
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184
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
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185
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
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186
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
187
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
188
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
189
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
190
|
Cc1cc(=O)n([nH]1)c2cc(nc(n2)c3ccccc3O)C
|
|
|
191
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
192
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
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193
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
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194
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
195
|
CCCCN1c2cccnc2-c3c(cccn3)N=C1c4ccccc4
|
|
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196
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
197
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
198
|
CC(C)c1nnc(o1)c2cc3c(nn(c3s2)C)C(F)(F)F
|
|
|
199
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
200
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
|
201
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
202
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
|
203
|
CS(=O)(=O)N1CCC(CC1)n2cc(nn2)c3ccsc3
|
|
|
204
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
205
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
206
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
207
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
208
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
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209
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
210
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
211
|
Cc1ccc(cc1)[C@@H]2N=C(C(=N2)c3ccccc3OC)C
|
|
|
212
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
213
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
214
|
c1cc(cc(c1)S(=O)(=O)/N=c/2[nH]c(c3c(n2)nc[nH]3)[O-])C#N
|
|
|
215
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
216
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
217
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
218
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
219
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
220
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
221
|
CCOC(=O)c1c([nH]n2c1nnc2C(F)F)C(F)(F)F
|
|
|
222
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
223
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
224
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
225
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
226
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
227
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
228
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
229
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
230
|
COc1cc(cc(c1OC)Cl)/C=C/[C@@H](c3ccccc3O2)O
|
|
|
231
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
232
|
Cc1ccc(c(=O)[nH]1)C(=O)O/C2=CC3=NC=CC3
|
|
|
233
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
234
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
235
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
236
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
237
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
238
|
c1ccc(cc1)NC2=NN/C(=Nc3ccccc3)/[C@H]2Cl
|
|
|
239
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
240
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
241
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
242
|
CSC1NC2C(S1)NC(OC2=O)C3CCCCC3
|
|
|
243
|
Cc1nnc(s1)SCC2=NN(C(=O)C2)c3ccccc3
|
|
|
244
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
245
|
c1cc(cc(c1)Cl)n2ccc(n2)c3cnccn3
|
|
|
246
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
247
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
248
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
|
249
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
250
|
c1ccc2c(c1)c3c(cc(nc3[nH]c2=O)C(F)(F)F)c4ccco4
|
|
|
251
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
252
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
253
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
254
|
Cc1csc(n1)Sc2nnc(s2)c3ccccc3
|
|
|
255
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
256
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
257
|
c1ccnc(c1)[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2
|
|
|
258
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
259
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
260
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
261
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
262
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
263
|
CC1CCC(CC1)S(=O)(=O)NC2CC(C3C(C2C)CCN=C3)C
|
|
|
264
|
CCOC(=O)N1CN(Cc2c1oc3ccccc3c2=O)CCO
|
|
|
265
|
COc1ccc(cc1)[C@H]2C(=C(C2=O)c3ccc(cc3)OC)[O-]
|
|
|
266
|
Cc1cc(no1)/N=C(C)/Cc2nc(sn2)NC[C@H]3CCCO3
|
|
|
267
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
268
|
Cc1ccc(cc1)C2=CSNC(=N2)c3ccccc3OC
|
|
|
269
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
270
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
271
|
C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
|
|
|
272
|
C[C@@]1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
|
|
|
273
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
|
274
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
|
275
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
276
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
277
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
278
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
279
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
280
|
C[C@@H](C(=O)N1CCCS1(=O)=O)Oc2ccc(cc2)C#N
|
|
|
281
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
282
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
283
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
284
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
|
285
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
286
|
c1ccc2c(c1)cc(c(=O)o2)C3=Nc4ccccc4S(=O)(=O)N3
|
|
|
287
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
288
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
289
|
Cc1cc(nc2c1c(nc(n2)C)C)c3c(nc(nc3N)C)C
|
|
|
290
|
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
|
|
|
291
|
CC(=O)OC[C@@H]1[C@H](C=C[C@@H](O1)SC2CCCCN2)OC(=O)C
|
|
|
292
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
|
293
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
294
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
295
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
296
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
297
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
|
298
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
|
299
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
300
|
Cc1cc(c(o1)C)c2cnnc(n2)N3CC[C@@H](C3)COC
|
|
|
301
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
302
|
C1CCC(CC1)C2CC(O/C(=N/N3CNNC3)/C2)C4CCCCC4
|
|
|
303
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
304
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
305
|
c1cc(cc2c1cc3c([o+]2)/C=Cc4ccc(cc4OC3=O)O)O
|
|
|
306
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
307
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
|
308
|
CCCN(CCC)c1cc(nc2c1nn(c2c3ccccc3)C)C
|
|
|
309
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
|
310
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
311
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
312
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
313
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
314
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
315
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
316
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
317
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
318
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
319
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
320
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
321
|
c1ccc(cc1)C2=CC(=Nn3c(nnn3)N2)c4ccccc4
|
|
|
322
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
323
|
CC1=N/C(=C/C=C(Oc3c2cccc3)c4cccs4)/C(=O)O1
|
|
|
324
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
325
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
326
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
327
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
328
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
329
|
CC(C)(C)OC(=O)N1CCC[C@H]1Cn2c(nnn2)NC3CC3
|
|
|
330
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
331
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
332
|
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
|
|
|
333
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
334
|
|
|
|
335
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
|
336
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
337
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
338
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
339
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
340
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
|
341
|
|
|
|
342
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
343
|
CCc1nc(cn1/C(=C/C(=O)n2cc(nc2CC)C)/[O-])C
|
|
|
344
|
|
|
|
345
|
|
|
|
346
|
C1CCC(CC1)C2C3C4C(CCCN4C(=O)N2)CCC3
|
|
|
347
|
CCOC(=O)c1c2c(c(s1)C)C(=NC3(N2)CCCCC3)O
|
|
|
348
|
Cn1cc(ccc1=O)c2nnc(o2)c3cc4c(s3)CCC4
|
|
|
349
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
350
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
351
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
352
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
353
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
|
354
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
355
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
356
|
Cc1ccc(cc1)[C@@H]2Nc3c(c(no3)C)-c4ccccc4O2
|
|
|
357
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
358
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
359
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
360
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccccn3)O
|
|
|
361
|
C1C2N(C(=O)[NH]C1=O)CCC3=C2CCCC3
|
|
|
362
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
363
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
364
|
Cc1ccc(cc1)N2Cc3cc(=O)n4c5ccccc5nc4c3=C2N
|
|
|
365
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
366
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
367
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
|
368
|
CC1(CC(=O)[C@@H]2[C@H](NC3CCCCC3CC2=N1)C4CCCNC4)C
|
|
|
369
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
370
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
371
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
372
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
373
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
374
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
375
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
376
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
377
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
378
|
CCOc1ccc(cc1)N2C(=O)CN=C3C2=NCCC3
|
|
|
379
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
380
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
381
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
382
|
|
|
|
383
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
384
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
|
385
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
386
|
CC1=C[C@@H](c2c(=O)c(c(oc2S1)N)C#N)c3ccoc3
|
|
|
387
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
|
388
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
389
|
|
|
|
390
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
391
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
392
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
393
|
Cc1c(c(on1)N)c2nc(cs2)c3ccc(cc3)OC
|
|
|
394
|
|
|
|
395
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
396
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
397
|
Cc1c(=O)nc-2n(n1)[C@@H](Nc3c2cccc3)C(=O)[O-]
|
|
|
398
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
399
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
400
|
|
|
|
401
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
402
|
CCOC(=O)C1=C(NC(=C2[C@@H]1c3ccccc3OC2=O)C)C
|
|
|
403
|
CN1CCN(CC1)C2=Nc3cc(ccc3Cc4c2cccc4)F
|
|
|
404
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
|
405
|
c1ccc2c(c1)n3c(c(nn3)C(=O)N)sc4n2nnc4C(=O)[O-]
|
|
|
406
|
CCCCN1[C@@H](C(=C(C1=O)C)C)Nc2ccc(cc2)C#N
|
|
|
407
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
408
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
409
|
CC(C)(C)c1cc(cc([o+]1)C(C)(C)C)c2cn(c3c2cccc3)C
|
|
|
410
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
411
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
412
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
413
|
CCOc1ccccc1N[C@@]2(CSc3n2c(=O)cc(n3)C)O
|
|
|
414
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
415
|
C=CCNc1nc(nc(n1)n2ccnc2)c3ccccc3
|
|
|
416
|
Cc1cc(c(c(c1)C)Nc2nc(nc(n2)N3CCC=CC3)C)C
|
|
|
417
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
|
418
|
c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
|
|
|
419
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
420
|
C1CCC2C(C1)[C@@H](CCS2)NC3CNCC(N3)CL
|
|
|
421
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
422
|
|
|
|
423
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
424
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
425
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
426
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
427
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
428
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
429
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
430
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
|
431
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
432
|
|
|
|
433
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
434
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
435
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
|
436
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
437
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
438
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
439
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
440
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
441
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
442
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
|
443
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
444
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
|
445
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
446
|
Cc1ccc(cc1)c2c(c(=O)c2=O)NCCOC
|
|
|
447
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
|
448
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
449
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
450
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
451
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
452
|
Cc1c([o+]c(nc1c2ccccc2)c3ccccc3)/C=CN(C)C
|
|
|
453
|
COC(=O)c1c(c2c([nH]1)c3ccccc3n4c2nnn4)N
|
|
|
454
|
c1cc(ccc1c2c(ocn2)c3ccc4nncn4c3)F
|
|
|
455
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC=C)CCn2cccn2
|
|
|
456
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
|
457
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
458
|
Cc1cc(nc(n1)SCc2nnc(s2)NC)C
|
|
|
459
|
CSc1nnc(s1)CN2CCSc3c2cccc3
|
|
|
460
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
461
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
|
462
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
463
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
464
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
465
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
466
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
467
|
|
|
|
468
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
469
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
|
470
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
471
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
472
|
CSc1nc(nc(=[N+]2CCOCC2)s1)c3ccccc3
|
|
|
473
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
474
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
475
|
CC1=C[C@@H](c2c(=O)[nH]c(=O)[nH]c2O1)c3ccccc3
|
|
|
476
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
477
|
Cc1cc(c2cccc(c2n1)O)n3cccn3
|
|
|
478
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
479
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
480
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
481
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
482
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
483
|
CCn1c2ccccc2nc1c3cnn(n3)c4ccccc4
|
|
|
484
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
485
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
486
|
Cn1c2c(cn1)[C@@H](CCC2)Nc3c(cccn3)C#N
|
|
|
487
|
|
|
|
488
|
CC(=O)c1c-2n(n(c1=O)c3ccccc3)C(=O)c4c2nccn4
|
|
|
489
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
490
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
|
491
|
COc1ccccc1n2c(coc2=O)c3ccc(cc3)F
|
|
|
492
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
493
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
494
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
495
|
CCOC(=O)c1nn(c2n1c(=O)c(nn2)C)c3ccccc3
|
|
|
496
|
c1ccc2c(c1)[C@@H](OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
|
|
|
497
|
c1cc(nn2c1ncc(c2=O)N)N3CCCC3
|
|
|
498
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
|
499
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
500
|
c1ccc-2c(c1)[C@]34CCN5[C@H]3C[C@@H](C5=O)c6c4n2c(=O)cc6
|
|
|
501
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
502
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
503
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(cnn3)N2)c4ccco4
|
|
|
504
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
505
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
506
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
507
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
|
508
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
509
|
CCc1nnc(c2n1ccc2)N3CCC(CC3)C(=O)[O-]
|
|
|
510
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
|
511
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
512
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
513
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
514
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
515
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
|
516
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
517
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
|
518
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
|
519
|
|
|
|
520
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
521
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
522
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
523
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
524
|
|
|
|
525
|
CCOC(=O)[C@@H]1[C@@H]2[C@@H](C3CCCCC3O2)C4CC(CCC4N1)CL
|
|
|
526
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
527
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
|
528
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
529
|
c1ccc(cc1)n2c(=O)c(c(cn2)n3cc(nn3)CO)Cl
|
|
|
530
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
531
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
|
|
532
|
Cc1c(c(on1)C)/C=C/c2c(=O)[nH]c3ccccc3n2
|
|
|
533
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
534
|
CCOC(=O)c1c(n(c2c1-c3c(non3)CC2)OC)C
|
|
|
535
|
CN1C(=O)C(=C(C12CCC2)N)S(=O)(=O)c3ccc(cc3)Cl
|
|
|
536
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
537
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
538
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
539
|
[H]/N=c/n(cc(o1)c2ccc(cc2)CC)c3nc(cc(n3)C)C
|
|
|
540
|
|
|
|
541
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
542
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
|
543
|
C1CCC(CC1)/C=C/2CC-3OC(=O)C4C3C(C2=O)CCC4
|
|
|
544
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
545
|
[H]/N=C/1NC(N(S1)CC2CCCCC2)C3CCCCC3
|
|
|
546
|
c1ccc2c(c1)c3cc(c(cc3o2)n4cccc4)N
|
|
|
547
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
548
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
549
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
550
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
|
551
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
552
|
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
|
|
|
553
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
554
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
555
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
556
|
c1cc(oc1)c2cn3c4ccc(c(c4n5c3c2CCCC5)F)F
|
|
|
557
|
c1ccc2c(c1)-c3nncn3-c4ccccc4S2
|
|
|
558
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
559
|
Cc1cc(n(n1)c2ccccn2)Nc3c(=O)[nH]c4ccccc4n3
|
|
|
560
|
COC(=O)[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)N
|
|
|
561
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
562
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
|
563
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
564
|
CC(=O)O[C@@H]1CC([C@H](O1)OCc2ccccc2)(F)F
|
|
|
565
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
566
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
567
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
568
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
569
|
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
|