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Virtual screening for IDP 3M7W - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
2
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
3
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
4
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
5
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
6
|
|
|
|
7
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
8
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
9
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
10
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
11
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
12
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
13
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
14
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
15
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
16
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
17
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
18
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
19
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
20
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
21
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
22
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
23
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
24
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
25
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
26
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
27
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
28
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
29
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
30
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
31
|
CC(C)[C@@]1(C(=NC(=N1)c2c(cc3ccccc3n2)C(=O)[O-])O)C
|
|
|
32
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
33
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
34
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
35
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
36
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
37
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
38
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
39
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
40
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
41
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
42
|
Cc1c(c2cc(ccc2[nH]1)F)CCn3cnnn3
|
|
|
43
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
44
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
45
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
46
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
47
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
48
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
49
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
50
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
51
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
52
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
53
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
54
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
55
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
56
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
57
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
58
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
59
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
60
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
61
|
|
|
|
62
|
CN1[C@@H](C(=CC1=O)n2c3ccccc3nn2)Cc4ccccc4
|
|
|
63
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
64
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
65
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
66
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
67
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
68
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
69
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
70
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
71
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
72
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
73
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
74
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
75
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
76
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
77
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
|
78
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
79
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
80
|
|
|
|
81
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
82
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
83
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
84
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
85
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
86
|
|
|
|
87
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
88
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
|
89
|
c1cc(cnc1)c2nnc(s2)C3CCN(CC3)c4ncccn4
|
|
|
90
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
91
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
92
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
93
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
94
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
95
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
96
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
97
|
c1ccc2c(c1)nc3n2-c4ccc(cc4CS3)N
|
|
|
98
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
99
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
100
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
101
|
CCc1c(nco1)C(=O)N[C@@H]2CC(=O)N(C2)CC(C)(C)C
|
|
|
102
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
103
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
104
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
105
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
106
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
107
|
c1cc(oc1)Cn2c(=O)c3cnc(nc3nc2[O-])n4ccnc4
|
|
|
108
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
109
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
110
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
111
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
112
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
|
113
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
114
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
115
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
116
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
117
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
118
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
119
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
120
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
121
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
122
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
123
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
124
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
125
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
126
|
Cc1cnc(c(c1OC)C)C[C@@H]2Nc3ccccc3S2
|
|
|
127
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
|
128
|
COC(=O)Oc1c(c2c(s1)nc3ccccc3n2)N
|
|
|
129
|
|
|
|
130
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
131
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
132
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
133
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
134
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
135
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
136
|
c1ccc2c(c1)C(=C(CS2)C(=O)Nc3ccccn3)[O-]
|
|
|
137
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
138
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
139
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
140
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
141
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
142
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
143
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
144
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
|
145
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
146
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
147
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
148
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
149
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
150
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
151
|
c1cc2c(cc1Cl)ncn3c2nn(c3=O)CC(=O)N
|
|
|
152
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
153
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
154
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
155
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
156
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
157
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
158
|
c1cc(cnc1)c2cc(c3c(n2)nc(nc3[O-])N)C(F)(F)F
|
|
|
159
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
160
|
|
|
|
161
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
162
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
163
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
164
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
165
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
166
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
167
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
|
168
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
169
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
170
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
171
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
172
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
173
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
|
174
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
175
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
176
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
177
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
178
|
c1ccc(cc1)C2=CC(=Nn3c(nnn3)N2)c4ccccc4
|
|
|
179
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
180
|
Cc1cc(nc2c1c3c(o2)C(=O)N(CC(=O)N3)c4ccccc4)C
|
|
|
181
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
182
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
183
|
c1ccc(cc1)n2c(c-3sc4ccccc4nc3c2=O)[O-]
|
|
|
184
|
Cc1c(n(c-2n/c(=[NH+]/c3ccccc3)/ncc2n1)c4ccccc4)C
|
|
|
185
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
186
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
|
187
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
188
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
189
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
190
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
191
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
192
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
193
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
194
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
195
|
c1cc(cc(c1)S(=O)(=O)/N=c/2[nH]c(c3c(n2)nc[nH]3)[O-])C#N
|
|
|
196
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
197
|
CC1CC(C2C(C1)NN3C(NNC3S2)C4CCNCC4)C
|
|
|
198
|
Cc1c2c(nc(n1)C)Oc3ccc4ccccc4c3C2
|
|
|
199
|
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
|
|
|
200
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
201
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
202
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
203
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
204
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
|
205
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
206
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
|
207
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
208
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
209
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
210
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
211
|
|
|
|
212
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccccn3)O
|
|
|
213
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
214
|
COC(=O)[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)N
|
|
|
215
|
c1ccc(cc1)c2nnn(n2)CCS(=O)(=O)N3CCOCC3
|
|
|
216
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
217
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
218
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
219
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
220
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
221
|
C[C@@]12C=CC=C[C@@H]1NC(=C3C(=O)c4ccccc4C3=O)C=C2
|
|
|
222
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
223
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
224
|
c1ccc(cc1)c2ccc(oc2=O)C(=O)c3ccccc3
|
|
|
225
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
|
226
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
227
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
228
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
|
229
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
230
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
231
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
232
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
233
|
CC1=C(OCCO1)C(=O)N2CCO[C@@H](C2)CC3CCCCC3
|
|
|
234
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
|
235
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
236
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
237
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
238
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
239
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
240
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
241
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
242
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
243
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
|
244
|
CCOc1ccccc1N[C@@]2(CSc3n2c(=O)cc(n3)C)O
|
|
|
245
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
|
246
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
247
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
248
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
249
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
250
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
251
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
252
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
253
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
254
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
|
255
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
|
256
|
c1ccc(cc1)n2cc3c(n2)C=C[C@@H]4[C@H]3[C@@H]5[C@H]4C6C=C[C@H]7C5[C@H]7C=C6
|
|
|
257
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
258
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
259
|
c1ccc(cc1)c2nc3n(n2)Cc4ccccc4C35CCOCC5
|
|
|
260
|
Cn1c-2n/c(=NCc3ccccc3)/n(c2c([nH]c1=O)[O-])CC(=O)[O-]
|
|
|
261
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
|
262
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
263
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
|
264
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
265
|
Cc1cc(nc(n1)C2=[NH+]c3ncnn3[C@@H](N2)c4ccccc4)C
|
|
|
266
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
267
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
268
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
269
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
270
|
c1ccc(cc1)N2CCCn3c4ccccc4nc3C2
|
|
|
271
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
272
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
273
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
274
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
|
275
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
276
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
277
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
|
278
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
279
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
280
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
281
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
282
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
283
|
|
|
|
284
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
285
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
286
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
287
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
288
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
289
|
c1ccc2c(c1)-c3c(c(=O)[nH]nc3C2=O)C#N
|
|
|
290
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
291
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
292
|
c1ccc2c(c1)CO[C@@]3(N2)c4ccccc4NC3=O
|
|
|
293
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
294
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
295
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
|
|
296
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
297
|
Cc1c2cc(sc2nc3c1[nH]c(cc3=O)[O-])c4cccs4
|
|
|
298
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
299
|
COCCSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4
|
|
|
300
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
301
|
CCOC(=O)c1cnn2c1nnn(c2=O)c3ccccc3
|
|
|
302
|
c1ccc(cc1)/C=C/2CCCC3=C2NC(=O)N[C@@H]3c4ccccc4
|
|
|
303
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
304
|
CN(C)C1NC(NC(N1)N(C)CN(C)C2CCCCC2)N(C)C
|
|
|
305
|
Cc1cc(n(n1)c2ccccn2)Nc3c(=O)[nH]c4ccccc4n3
|
|
|
306
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
307
|
|
|
|
308
|
c1ccc2c(c1)c3n(n2)C(=O)c4ccccc4C3=O
|
|
|
309
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
310
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
311
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
312
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
|
313
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
314
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
315
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
316
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
|
317
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
318
|
C/C(=C/C=CC=CCc1cnco1)/[C@H](C(C)(C)C(=O)N)O
|
|
|
319
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
320
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
|
321
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
322
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
323
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
324
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
|
325
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
326
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
327
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
328
|
c1cc(cc2c1cc3c([o+]2)/C=Cc4ccc(cc4OC3=O)O)O
|
|
|
329
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
330
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
331
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
332
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
333
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
334
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
|
335
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
336
|
|
|
|
337
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
338
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
339
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
340
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
341
|
Cc1cc2c(cc1C)n(cn2)c3c(=O)n(c(=O)n(n3)C)C
|
|
|
342
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
343
|
c1ccc(cc1)c2c(cno2)c3nnnn3c4ccccc4
|
|
|
344
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
345
|
c1ccc(cc1)c2nc(on2)c3c(c4ccccc4s3)O
|
|
|
346
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
|
347
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
|
348
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
349
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
350
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
351
|
C1CCC2C(C1)CC=N[C@@H]2CC(=O)[O-]
|
|
|
352
|
|
|
|
353
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
354
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
|
355
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
356
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
357
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
|
358
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
|
359
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
360
|
CC1=C[C@@H]2Cc3c(c(c4c(n3)oc(n4)C5CC5)N)[C@@H](C2)C1
|
|
|
361
|
[H]/N=c/n(cc(o1)c2ccc(cc2)CC)c3nc(cc(n3)C)C
|
|
|
362
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
363
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
364
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
365
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
366
|
C1CCC2C(C1)C(=O)N-3C(N2)CSC4C3CCCC4
|
|
|
367
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
368
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
369
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
370
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
371
|
CSc1c([n-]c(n1)c2ccccc2)S(=O)(=O)c3ccccc3
|
|
|
372
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
373
|
c1ccc(cc1)C2=NC(=O)N=C2NC(=O)Nc3ccc(cc3)Cl
|
|
|
374
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
375
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
376
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
|
377
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
378
|
Cc1c(oc(c1C#N)NC(=O)CN2CCOCC2)C
|
|
|
379
|
CC(=O)c1c(nn(n1)c2ccc(cc2)F)Nc3ccc(nc3)OC
|
|
|
380
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
381
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
382
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
383
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
384
|
CC(=O)Nn1c(cn2c3ccsc3cc2c1=O)c4ccccc4
|
|
|
385
|
Cc1nc2ccccc2c(=O)n1N(c3ccccc3)C4=CC=CCC4
|
|
|
386
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
387
|
COC1CCCC2C1OC(=C(C2)C(=O)N)NC3CCCCC3
|
|
|
388
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
|
389
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
390
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
391
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
392
|
c1ccc(cc1)c2nnnn2C3(CCCCC3)n4cccn4
|
|
|
393
|
CC(C)NC(=O)CSc1cnnn1c2ccccc2F
|
|
|
394
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
395
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
396
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
397
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
|
398
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
399
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
|
400
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
|
401
|
CCOC(=O)CNC1=c2ccccc2=[S@@](=O)(N=N1)O
|
|
|
402
|
Cc1csc(=O)n1CCn2cc(ccc2=O)C(F)(F)F
|
|
|
403
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
|
404
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
405
|
CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3
|
|
|
406
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
407
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
408
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
409
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
|
410
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
411
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
412
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
413
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
414
|
c1ccc2c(c1)[C@H]3C[C@@H]([C@@H]2N3)c4ccc(nc4)Cl
|
|
|
415
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
416
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
417
|
|
|
|
418
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
419
|
Cnccs/c1=NC(=O)CNS(=O)(=O)c2cnn(c2)C
|
|
|
420
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
421
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
422
|
C1CCC(CC1)N2C(=O)N3N(C2=O)-C4CC5CCCCC5CC4C3
|
|
|
423
|
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
|
|
|
424
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
425
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
426
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
427
|
c1ccc(cc1)n2cc(cn2)C(=O)Nc3cccc(c3)c4[n-]nnn4
|
|
|
428
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
429
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
430
|
c1ccc(cc1)C2=CC(=N[C@@]2(c3ccccc3)O)c4ccccc4
|
|
|
431
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
|
432
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
433
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
434
|
CCCCN1[C@@H](c2ccccc2C1=O)Sc3ccc(cc3)F
|
|
|
435
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
436
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
437
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
438
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
439
|
c1ccc2c(c1)c(cs2)Cc3[n-]nnn3
|
|
|
440
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
|
441
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
442
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
|
443
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
444
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
445
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
446
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
447
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
448
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
449
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
450
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
451
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
452
|
Cc1c(sc(n1)c2c(n(nn2)c3ccccc3)C)C(=O)[O-]
|
|
|
453
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
454
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
455
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
456
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
457
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
458
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
|
459
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
460
|
CC1NC2C(C(CS2)OC(=O)C)C3N1C4CCCCC4N3
|
|
|
461
|
CCc1cc(c(=O)[nH]c1C)[C@@](C#CC2CC2)(C(F)(F)F)OC
|
|
|
462
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
463
|
C[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C3CC(C(C(=O)O3)CO)OC
|
|
|
464
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
465
|
Cc1nc(cs1)Cn2c(=O)oc(n2)c3ccc(cc3)F
|
|
|
466
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
|
467
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
|
468
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
469
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
470
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
471
|
Cc1ccc(cc1)[N-]C2=NS(=O)(=O)c3cc(ccc3S2)F
|
|
|
472
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
473
|
Cc1cc(=O)n2c([nH]1)c(c(n2)NC)c3nc(no3)c4ccccc4
|
|
|
474
|
c1ccc2c(c1)C[C@@H]([C@@H]2Sc3ncccn3)O
|
|
|
475
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
476
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
477
|
Cc1cc(c(nc1OC)C)Nc2c(=O)n(nc(n2)C)[C@@H](C)C3CC3
|
|
|
478
|
Cc1c2c([nH]c(=O)n(c2=O)Nc3ccc(cc3)O)sn1
|
|
|
479
|
Cncc([nH]/c1=NC(=O)C23CC4CC(C2)CC(C4)C3)[O-]
|
|
|
480
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
481
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
482
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
483
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
484
|
C1CCC(CC1)C#C[C@@]2(C3CCCCC3C(=O)C4C2CNCC4)O
|
|
|
485
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
486
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
487
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
488
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
|
489
|
CS(=O)(=O)N1CCC(CC1)n2cc(nn2)c3ccsc3
|
|
|
490
|
Cc1ccc(cc1)N2Cc3cc(=O)n4c5ccccc5nc4c3=C2N
|
|
|
491
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
492
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
493
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
494
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
495
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
496
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
|
497
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
|
498
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
499
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
500
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
501
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
502
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
503
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
504
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
505
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
506
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
507
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
508
|
Cc1ccc(cc1)OS(=O)(=O)c2cc(n(c2)C)C(=O)N
|
|
|
509
|
CN1C2C(C(=O)N(C1=O)C)N[C@@]3(N2)C4CCCCC4NC3=O
|
|
|
510
|
Cc1c(c2n(n1)[C@@H](C(=O)N2)CC(=O)[O-])c3ccccc3
|
|
|
511
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
512
|
COC(=O)c1c(c2c([nH]1)c3ccccc3n4c2nnn4)N
|
|
|
513
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
514
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
515
|
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
|
|
|
516
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
517
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
518
|
CC1=C(OCCO1)C(=O)N[C@@H]2CC(=O)N(C2)CC(C)(C)C
|
|
|
519
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
520
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
521
|
CC1CC(N2C1[C@@H](CC2)O)C3(C(=O)C4CCCCC4C3=O)O
|
|
|
522
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
|
523
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccccc4
|
|
|
524
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
525
|
[H]/N=c/[nH]c-2c(s1)-c3cccc4c3c2ccc4
|
|
|
526
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
|
527
|
CCOc1c(o/c(=NC(=O)c2ccccc2)/s1)C(=O)OCC
|
|
|
528
|
|
|
|
529
|
Cc1c(nc2n1-c3ccccc3C2)c4ccc(cc4)OC
|
|
|
530
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
531
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
|
532
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
533
|
CC1NNC2N1-C3CCCCC3-C4C(C5CCCCC5[NH]4)C2
|
|
|
534
|
Cc1c2c(n(n1)c3ccccc3)S[C@@H]2c4ccco4
|
|
|
535
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
|
536
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
537
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
538
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
539
|
CN1c2ccccc2[C@@](C1=O)(c3nnc(o3)c4ccccc4)O
|
|
|
540
|
c1(c(non1)C(=O)[O-])c2c(non2)C(=O)[O-]
|
|
|
541
|
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
|
|
|
542
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
543
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
544
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
545
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
546
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
547
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
548
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
549
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
550
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
551
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
552
|
Cc1c(sc2c1c(nnc2c3ccccc3)N4CCCC4)C#N
|
|
|
553
|
CN1C2C(C(=O)N(C1=O)C)NC3C4CCCCC4OC3N2
|
|
|
554
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
555
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
556
|
c1ccc2c(c1)-c3c(c(=O)n([nH]3)c4ccccn4)CS2
|
|
|
557
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
558
|
|
|
|
559
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
560
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
|
561
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
562
|
c1ccc(cc1)c2nn3c(nnc3s2)c4cc5ccccc5[nH]4
|
|
|
563
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
564
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
565
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
566
|
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c2ccccn2
|
|
|
567
|
Cc1c(c2n(n1)C(CC(=N2)C)(C)C)c3ccccc3
|
|
|
568
|
Cc1ccc(cc1)C2=CSNC(=N2)c3ccccc3OC
|