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Virtual screening for IDP 3S81 - surface: 2
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
COC(=O)c1c2c(nnc(n2nc1C(=O)OC)[O-])c3ccccc3
|
|
|
2
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
3
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
4
|
Cc1c-2c(oc1C(=O)[O-])CC(c3c2nc4ccccc4n3)(C)C
|
|
|
5
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
6
|
c1ccc(cc1)c2c3c(ccnc3c4c(n2)non4)[O-]
|
|
|
7
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
8
|
c1ccc2c(c1)ncn2c3c(nc4nccn4n3)C(F)(F)F
|
|
|
9
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
10
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
11
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
12
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
13
|
Cc1c(nccn1)c2ccnn2S(=O)(=O)c3ccccc3
|
|
|
14
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
|
15
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
16
|
c1ccc(cc1)[C@@H]2CC(=O)[C@@H](c3n2c4ccccc4n3)C#N
|
|
|
17
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
18
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
19
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
20
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
21
|
c1ccc(cc1)c2c(nc(c(=O)n2c3ccccc3)C#N)Cl
|
|
|
22
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
23
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
24
|
c1cc(ccc1c2c(ocn2)c3ccc4nncn4c3)F
|
|
|
25
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
|
26
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
27
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
28
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
29
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
30
|
CCCCn1c(nnn1)NC(=O)N(C)Cc2nc(no2)CC
|
|
|
31
|
CCCNC(=O)CSc1c(nccn1)Sc2ccccc2
|
|
|
32
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
33
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
34
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
35
|
CCc1c2c(n(n1)C3CCCC3)C(=O)N(CC2)c4ccccc4
|
|
|
36
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
37
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
38
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
39
|
COC1=CC2CCNC3C2C(C4CCCCC4C3[O-])C1=O
|
|
|
40
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
41
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
42
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
43
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
44
|
c1cc(ccc1c2nnnn2c3cnccn3)Cl
|
|
|
45
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
46
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
47
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
48
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
49
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
50
|
Cc1cc(nc(n1)n2c(=O)ccc(n2)[O-])C
|
|
|
51
|
Cc1cc2c(c(=O)o1)[C@@H](Sc3ccccc3N2)c4ccco4
|
|
|
52
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
53
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
54
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
55
|
|
|
|
56
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
57
|
COC1CC2C(CC1OC)-C3C(OC(=O)N3CC2)C4CCCCC4
|
|
|
58
|
Cc1c(c(no1)c2ccccc2)c3nc4ccccc4c(=O)o3
|
|
|
59
|
c1cc(oc1)[C@@H]2C([C@@]3([C@@H]4CCCC[C@@]4(N2)NC3=O)C#N)(C#N)C#N
|
|
|
60
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
61
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
62
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
63
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
64
|
CCCCN1c2cccnc2-c3c(cccn3)N(C1=O)CCCC
|
|
|
65
|
Cc1cc(c(c(c1)C)Nc2nc(nc(n2)N3CCC=CC3)C)C
|
|
|
66
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
|
67
|
CC1(OC2=C([C@@H]3c4ccccc4OC[C@@H]3CO2)C(=O)O1)C
|
|
|
68
|
|
|
|
69
|
Cc1cn(c(n1)c2cccnc2)c3ccc(cc3)S(=O)(=O)C
|
|
|
70
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
71
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
72
|
CC(=O)c1c-2n(n(c1=O)c3ccccc3)C(=O)c4c2nccn4
|
|
|
73
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
|
74
|
Cn1c(=O)n2c(c(n2c1=O)c3ccccc3)c4ccccc4
|
|
|
75
|
CCOc1ccccc1N[C@@]2(CSc3n2c(=O)cc(n3)C)O
|
|
|
76
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
77
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
78
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
79
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
80
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
81
|
CNC1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl
|
|
|
82
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
83
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
84
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
85
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
86
|
CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
|
|
|
87
|
c1ccc2c(c1)c-3c4c(nc(=[NH2+])c3c(o2)O)CCCCC4
|
|
|
88
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
89
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
90
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
91
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
92
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
93
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
94
|
c1ccc(cc1)c2nnnn2C3(CCCCC3)n4cccn4
|
|
|
95
|
CC/C(=C/C1CSC2C1CCCC2)/C3CCNCC3
|
|
|
96
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
97
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
98
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
99
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
100
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
101
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
102
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
103
|
Cc1c2c([nH]n1)C(=O)N([C@H]2c3ccccc3)c4ccccn4
|
|
|
104
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
105
|
Cc1c(c(on1)N)[C@@](c2nccn2C)(C(F)(F)F)O
|
|
|
106
|
Cc1c(c(n(n1)C(C)(C)C)OC(=O)C)Sc2ccccc2
|
|
|
107
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
108
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
109
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
110
|
CCOC(=O)c1c2cccc3c2n(c1c4ccccc4)CCS3
|
|
|
111
|
c1ccc2c(c1)NC3=C([C@@H](S2)c4ccc(cc4)F)C(=O)OC3
|
|
|
112
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
113
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
114
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
115
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
116
|
Cc1cc(=O)nc2n1n(c(c2)[O-])c3ccccc3
|
|
|
117
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
118
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
|
119
|
c1ccc(cc1)S(=O)(=O)[N-]c2c3ccccc3oc2C#N
|
|
|
120
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
|
121
|
CC1=C2C(=N[C@@H]1c3ccncc3)CCNC2=O
|
|
|
122
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
123
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
124
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
|
125
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
126
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
127
|
c1ccc(c(c1)N)Sc2cc(nnc2Cl)Cl
|
|
|
128
|
c1ccc(cc1)c2c-3n(c(=O)s2)C(=O)c4c3cccc4
|
|
|
129
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
130
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
131
|
CCN(CC)c1nc(nc(n1)N(CC)CC)c2[n-]nnn2
|
|
|
132
|
c1ccc(cc1)c2c3ccsc3nc4c2COCC4
|
|
|
133
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
134
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
135
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
136
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
137
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
138
|
Cc1cc(c(s1)C)c2c(oc(=O)o2)c3cc(sc3C)C
|
|
|
139
|
Cc1ccc(cc1)n2c(nnn2)c3nc4ccccc4s3
|
|
|
140
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
141
|
Cc1ccccc1[C@@H]2N=C(Nc3n2c4ccccc4c(=O)n3)N
|
|
|
142
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
|
143
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
|
144
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
|
145
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
146
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
147
|
Cc1ccc2c(c1)-c3c(nn4c(n3)nnn4)C(O2)(C)C
|
|
|
148
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
149
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
150
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
151
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
152
|
Cc1c2cc(cnc2n(n1)C)[N-]S(=O)(=O)c3cccs3
|
|
|
153
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
154
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
155
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
156
|
|
|
|
157
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
158
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
159
|
Cc1cc(nc(n1)SC)n2ccc(=O)[nH]c2=O
|
|
|
160
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
|
161
|
CC(=O)c1c(n(nn1)C2CCCCC2)NC3CCCCC3
|
|
|
162
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
163
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
164
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
|
165
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
166
|
Cc1ccc(c(c1)n2cccn2)c3c4c(nc[nH]4)ncn3
|
|
|
167
|
c1ccc2c(c1)nnn2[C@H]3CCC[C@@H]4N3CCn5c4ccc5
|
|
|
168
|
Cc1ccc(n1c2[n-]c(nn2)SCCCC(=O)[O-])C
|
|
|
169
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
170
|
c1ccc2c(c1)/C(=Cc3c(n4c(nc3=O)scn4)N)/C=N2
|
|
|
171
|
C[C@@H]1c2nc3ccccc3n2[C@@H](O1)c4ccccc4
|
|
|
172
|
c1ccc(cc1)CCc2cnccn2
|
|
|
173
|
C=CCc1nc(c2n1cccc2)N3CCOC3=O
|
|
|
174
|
CC1(CC(=O)[C@@H]2[C@H](NC3CCCCC3CC2=N1)C4CCCNC4)C
|
|
|
175
|
c1ccc(cc1)c2nc3ccnn3c(n2)[O-]
|
|
|
176
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
|
177
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
178
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
|
179
|
CC1C2C(NC(NN2)N3CCOCC3)N(N1)C4CCCCC4
|
|
|
180
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
181
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3)[NH+]=C4N2NN=N4
|
|
|
182
|
COC(=O)c1cc(nc2c1c(=O)n3cc[nH]c3n2)C4CC4
|
|
|
183
|
CC(C)Cc1c(n2ccncc2n1)NC(C)(C)CC(C)(C)C
|
|
|
184
|
c1cc2cccc-3c2c(c1)-c4c3nnc(n4)[O-]
|
|
|
185
|
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
|
|
|
186
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
|
187
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
188
|
c1cc(sc1)c2nn(c(=O)n2c3ccncc3)CCC#N
|
|
|
189
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
190
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
191
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
192
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
193
|
c1ccc2c(c1)c(c3ccccc3n2)Nn4cnnc4
|
|
|
194
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
|
195
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
196
|
Cc1c2c(oc(c2c(=O)n(n1)CC(=O)[O-])n3cccc3)C
|
|
|
197
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
|
198
|
CN(C)C1NC(=O)C(C(O1)C2CCCCC2)C3CCCCC3
|
|
|
199
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
200
|
c1ccc2c(c1)c3c(c(=O)o2)C=Nc4ccccc4N3
|
|
|
201
|
CCCCN1c2cccnc2-c3c(cccn3)N=C1c4ccccc4
|
|
|
202
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
203
|
Cc1nnc(o1)C(=O)c2c(c3ccccc3n(c2=O)C)OC(=O)C
|
|
|
204
|
Cc1c2c(nc(s2)N(C)CC(=O)[O-])n(n1)c3ccccc3
|
|
|
205
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
|
206
|
c1ccc(cc1)N2CCCC[C@@H]3[C@@]2(OC4=C(C3)CCCC4)O
|
|
|
207
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
208
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
209
|
CCCNc1ccccc1c2nc3c(c(n2)[O-])n[n-]n3
|
|
|
210
|
CC(C)(C)n1c(=O)nc2n1cc(s2)N(C)c3ccccc3
|
|
|
211
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
212
|
Cc1c2c(n3c(n1)c(cn3)C#N)N(CC2)Cc4ccco4
|
|
|
213
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
|
214
|
c1ccc2c(c1)-c3nncn3-c4ccccc4S2
|
|
|
215
|
CC1(CC2=C[C@@H]3C[C@]2([C@@H]4[C@@H]3CC5=C4CC(OC5=O)(C)C)C(=O)O1)C
|
|
|
216
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
|
217
|
|
|
|
218
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
219
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
220
|
C1CCC(CC1)[C@@H]2[C@@H]3CCCCC=C3C(=C(C2=O)C#N)N
|
|
|
221
|
C1CCC(CC1)C2C3CCSC3NC4C2SCC4
|
|
|
222
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4CC3)NC(=O)N2
|
|
|
223
|
|
|
|
224
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
225
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
226
|
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
|
|
|
227
|
[H]/N=C/1NC(N(S1)CC2CCCCC2)C3CCCCC3
|
|
|
228
|
CC1C(N2C(NCN2)NN1)N(C)C3CCCCC3
|
|
|
229
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
230
|
CCOC(=O)N1CN(Cc2c1oc3ccccc3c2=O)CCO
|
|
|
231
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
232
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
233
|
CCC[C@@H](C)n1c(nc2c1nccc2c3ccc(nc3C)O)CC
|
|
|
234
|
COc1c(nccn1)N2CCC(CC2)NS(=O)(=O)C
|
|
|
235
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
236
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
237
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
238
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
239
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
|
240
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4OC3)N=C5N2N=CN5
|
|
|
241
|
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
|
|
|
242
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
243
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
244
|
CCc1ccc(s1)c2c3c(ncnc3on2)NC
|
|
|
245
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2n4cnc(n4)C#N
|
|
|
246
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
247
|
c1ccc(cc1)Sc2c3[nH]ncn3c(=O)nn2
|
|
|
248
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
249
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
|
250
|
Cc1cs/c(=N/c2c(nc[nH]2)C(=O)N)/n1c3ccccc3
|
|
|
251
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
252
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
253
|
CCOc1nnc(s1)Cn2c(noc2=O)c3ccccc3
|
|
|
254
|
CC1C2C(N(N1)C3CCCCC3)[C@@H](NC2=O)CC4CCCCC4
|
|
|
255
|
c1cc(nn2c1nnn2)n3ccnc3
|
|
|
256
|
CC(C)(C)C(=O)OCn1c(noc1=O)c2cccnc2
|
|
|
257
|
CCOC(=O)[C@@H]1C2C(NC3CCCCC3N2)N4[C@@H]1CCC4
|
|
|
258
|
c1ccc(cc1)[C@@]2([C@@H](Sc3n2c4c(n3)CCC4)CC(=O)[O-])O
|
|
|
259
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
260
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
261
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
262
|
COc1ccc(cc1)C2=Nn3c(nnn3)-c4ccccc4C2
|
|
|
263
|
c1ccc(cc1)c2c3c(c(=O)[nH]n2)NC(=O)N[C@@H]3c4ccccc4
|
|
|
264
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
265
|
CC1C(=O)C(C2CCCCN2N1)C3CCCCC3
|
|
|
266
|
Cc1c2c(n(n1)c3ccccc3)-c4ccccc4S2(=O)=O
|
|
|
267
|
|
|
|
268
|
|
|
|
269
|
Cc1c2c(c3ccccc3o2)c4c(n1)CC(CC(=O)N4)(C)C
|
|
|
270
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
271
|
CN(Cc1c(snn1)Cl)S(=O)(=O)c2ccc(cc2)F
|
|
|
272
|
|
|
|
273
|
C[C@@H]1c2nc(nn2[C@](C(=O)O1)(C)CC#C)[C@@H](C)O
|
|
|
274
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
275
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
276
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
277
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
278
|
CC(=O)N1c2cc3c(cc2N(c4c1non4)C(=O)C)nccn3
|
|
|
279
|
C1CCC2C(C1)CC[C@@H]3N2[C@@H]4C5CCCCC5C(=O)N4CC3
|
|
|
280
|
c1ccc2c(c1)[C@@H]3[C@H]4C(=Nc5ccccc5N3C2=O)CCCC4=O
|
|
|
281
|
CC(=O)[C@@H]1C2=c3c(cccc3=[NH+]C1=O)C(=O)c4c2cccc4
|
|
|
282
|
c1ccc(c(c1)N)Sc2cnccn2
|
|
|
283
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
284
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
285
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
286
|
CS(=O)(=O)N1CCCN(CC1)Cc2nnnn2C3CC3
|
|
|
287
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
|
288
|
CCN(CC)/C(=C/n1ccccc1=O)/OC(=O)c2ccccc2
|
|
|
289
|
c1ccc(cc1)CNc2cnccn2
|
|
|
290
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
291
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
292
|
Cc1cc(=O)n2c(c1c3ccccc3)SC[C@@H]2C(=O)[O-]
|
|
|
293
|
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
|
|
|
294
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
295
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
296
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
297
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
|
298
|
CC1([C@H]([C@@H](c2ccccc2C1=O)n3ccccc3=O)O)C
|
|
|
299
|
Cc1nc(c2c(n1)oc(n2)C)n3cc(c(=O)[nH]c3=O)F
|
|
|
300
|
CC1NC2C(C(CS2)OC(=O)C)C3N1C4CCCCC4N3
|
|
|
301
|
c1cc(ccc1[C@@]2(CCOC2)c3nc(on3)c4ccsc4)F
|
|
|
302
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
303
|
CC(=O)c1ccc2c(c1)SCc3ccccc3O2
|
|
|
304
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
305
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
306
|
c1ccc(cc1)c2c(oc3n2c(=O)ccc(=O)n3)c4ccccc4
|
|
|
307
|
c1cnccc1C2c3c(c(n[nH]c3=O)[O-])Nc4c2c(=O)[nH]nc4[O-]
|
|
|
308
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
309
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
310
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
311
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
312
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
313
|
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
|
|
|
314
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
315
|
Cc1c(c(n(n1)C)[C@@H](C#N)c2cccs2)S(=O)(=O)N(C)C
|
|
|
316
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
317
|
c1ccc(cc1)c2cc(=O)on2c3ccccc3
|
|
|
318
|
CC(=O)N1C=Cc2ccccc2[C@@H]1c3c[nH]c4c3cccc4
|
|
|
319
|
CN1C(=O)[NH]N(C1=O)[C@@H]2CN3C(=O)N(C(=O)N3-C4C2CCCC4)C
|
|
|
320
|
c1ccc-2c(c1)[C@]34CCN5[C@H]3C[C@@H](C5=O)c6c4n2c(=O)cc6
|
|
|
321
|
c1cc(cnc1)c2cc(c3c(n2)nc(nc3[O-])N)C(F)(F)F
|
|
|
322
|
Cc1cc(nc2c1c(nn2C)n3c(c(nn3)C#N)N)C
|
|
|
323
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
324
|
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
|
|
|
325
|
COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
|
|
|
326
|
CSc1nc(c(nn1)c2ccco2)c3ccco3
|
|
|
327
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
328
|
Cc1cc(c2nncn2n1)n3cc(c(=O)[nH]c3=O)F
|
|
|
329
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
330
|
c1cc2c3c(c(ncn3)n4cccn4)sc2nc1
|
|
|
331
|
c1ccc(cc1)[C@@H]2Nc3c(cnn3c4ccccc4)C(=O)N2
|
|
|
332
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
333
|
CCOC(=O)[C@@]12CCCC=C1N(C(=O)CC2)Cc3ccccc3
|
|
|
334
|
CC1=C(OCCO1)C(=O)N2CCO[C@@H](C2)CC3CCCCC3
|
|
|
335
|
c1ccc(cc1)[C@@](CC#CN2CCCCC2)(C3CCCC3)O
|
|
|
336
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
337
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
|
338
|
Cc1ccc(n1C2c3ccccc3Oc4c2cccc4)C
|
|
|
339
|
CCCC(=O)NC1CCC(C2C1[C@@H]3[C@@H]2CCCCC3)O
|
|
|
340
|
Cc1c(=O)n2c(nn1)n(cn2)Cc3ccccc3
|
|
|
341
|
CC1(Nc2ccnn2C(=N1)Oc3ccccc3)C
|
|
|
342
|
c1cc(oc1)[C@@H](c2c(n3c(s2)ncn3)[O-])N4CCOCC4
|
|
|
343
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
344
|
CC1=NCCNC2=C1[C@@H](N(C2=O)c3ccccc3)c4ccccc4
|
|
|
345
|
CC(=O)n1c(c(nn1)CC#N)c2ccccc2
|
|
|
346
|
|
|
|
347
|
c1ccc2c(c1)CC[C@@H]2Nc3cncc(n3)Cl
|
|
|
348
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
349
|
CC(C)C/C=C(c1ccccc1)/C(n2cncn2)n3cncn3
|
|
|
350
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
|
351
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
352
|
c1ccc(cc1)n2c(ncn2)CN3CCCC3=O
|
|
|
353
|
C[C@@H]1Cc2nc(cc(=O)n2N1c3ccccc3)[O-]
|
|
|
354
|
CC(C)n1/c(=N/c2ccccc2)/c3ccccc3nn1
|
|
|
355
|
CCN(CC)C1C(NNC2N1NC3C2CCCN3)C
|
|
|
356
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
357
|
c1ccc(cc1)c2ccc(n2Cc3cccc(n3)N)c4ccccc4
|
|
|
358
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
359
|
Cc1c(c2c(n1c3ccccc3)c(ncn2)N)C#N
|
|
|
360
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
361
|
|
|
|
362
|
c1ccc2c(c1)CCCN2c3c(cno3)C#N
|
|
|
363
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
364
|
c1ccc(cc1)n2cnc3c2c4ccccc4c(=O)o3
|
|
|
365
|
Cn1c(cnc1Cn2c3ccccc3ncc2=O)Cl
|
|
|
366
|
CCCCN1[C@@H](c2ccccc2C1=O)Sc3ccc(cc3)F
|
|
|
367
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
368
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
369
|
c1ccc-2c(c1)Cc3c2nc4ncnn4c3
|
|
|
370
|
CC1CC(N(N1)C(=O)C2CNN3C2N(CCC3=O)C(C)C)C
|
|
|
371
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
|
372
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
373
|
c1ccc(c(c1)C(F)(F)F)N2Cc3cnc4ncnn4c3C=C2
|
|
|
374
|
c1cc2c(cc/3c(c2)/C=Nc4c(cccc4)/N=C3)cc1
|
|
|
375
|
CCOC(=O)N1CCC(CC1)c2c(c(n[nH]2)O)C
|
|
|
376
|
c1ccc2c(c1)c3c(o2)c(c4c(n3)CCS4)c5ccco5
|
|
|
377
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
378
|
c1cc(c(cc1F)c2c(nc3n(c2=O)CCCC3)[O-])F
|
|
|
379
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
380
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
|
381
|
C1CC(SC1)C(=O)C2C(=O)C3C(OC2C(F)(F)F)CC=C3
|
|
|
382
|
Cc1ccc(o1)C2=Nc3ccccc3[N-]C(=N2)c4cccs4
|
|
|
383
|
c1ccc2c(c1)C(=N[C@@]3(N2C(=O)CC3)C(=O)Nc4nccs4)O
|
|
|
384
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
385
|
c1ccc(cc1)[C@H]2C(=C(OC2=O)c3ccc(cc3)O)c4ccccc4
|
|
|
386
|
c1ccc2c(c1)c(nnn2)Nc3ccccc3Cl
|
|
|
387
|
c1ccc2c(c1)nc3n2-c4ccc(cc4CS3)N
|
|
|
388
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
389
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
390
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
|
391
|
Cc1nc2c(c(n1)N3CCCC3)CN(CC2)C(=O)C
|
|
|
392
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
393
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
394
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
395
|
|
|
|
396
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
397
|
CC1CC(NN2C1C(NC2SC)C3CCCCC3)C
|
|
|
398
|
c1ccc2c(c1)c3c(cc(nc3[nH]c2=O)C(F)(F)F)c4ccco4
|
|
|
399
|
CSc1c(c(c(s1)c2cc[nH]n2)c3ccco3)C#N
|
|
|
400
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
401
|
Cc1c(c-2c(cn1)CCc3c2cccc3)C#N
|
|
|
402
|
Cc1cc(no1)/N=C(C)/Cc2nc(sn2)NC[C@H]3CCCO3
|
|
|
403
|
Cc1cc(nc(n1)SNc2ccccc2OC)C
|
|
|
404
|
CC(C)CC(=O)C[C@@]1(CC[C@@H](O1)C2CCOC2)C
|
|
|
405
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
406
|
COC(=O)n1c(=O)c2ccccc2c(n1)OC(=O)OC
|
|
|
407
|
c1cc(ccc1c2csc3n2cnc-4ncnc34)Cl
|
|
|
408
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
409
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
410
|
Cc1nc(cs1)c2nnc(n2c3cccc(c3)F)SC
|
|
|
411
|
C1CCC(CC1)C2C(N3N(C2=O)[C@@H]4C[C@H]3C=C4)C5CCCCC5
|
|
|
412
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
413
|
C[C@@]1(C(=O)C2CCCN2-C3CCCCC3O1)C4CCCCC4
|
|
|
414
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
415
|
c1ccc(cc1)c2ncnn2c3c(c4c(s3)CCCC4)C#N
|
|
|
416
|
CCc1nnc(c2n1c(nn2)c3ccc(cc3)F)[O-]
|
|
|
417
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
418
|
c1ccc(cc1)C2=NC(=O)[C@@]([N-]2)(C(F)(F)F)Nc3nccs3
|
|
|
419
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
420
|
CC1([C@H]([C@@H](c2cc(ccc2C1=O)C#N)Oc3ccccn3)O)C
|
|
|
421
|
C=CCSc1nccn1c2ccccc2
|
|
|
422
|
Cn1c(=O)c(nn(c1=O)c2ccc(cc2F)F)c3ccn[nH]3
|
|
|
423
|
COC(=O)[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)N
|
|
|
424
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC=C)CCn2cccn2
|
|
|
425
|
c1ccc2c(c1)C[C@@H]([C@@H]2Sc3ncccn3)O
|
|
|
426
|
COc1ccccc1n2c(coc2=O)c3ccc(cc3)F
|
|
|
427
|
Cc1nc2c(s1)c(nnc2[O-])c3ccco3
|
|
|
428
|
|
|
|
429
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
430
|
Cn1c(=O)c(nn(c1=O)C)Oc2ccc3c(c2)OCO3
|
|
|
431
|
c1cc(ccc1c2cncn2N3CCCCC3)Cl
|
|
|
432
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
433
|
COc1cc(c(n1c2ccccc2)Oc3ccccc3)C#N
|
|
|
434
|
CC(=C1N2c3ccccc3S[C@@H]2C(C(=O)O1)(C)C)C
|
|
|
435
|
c1ccc(cc1)/C(=C/c2cccnc2)/N3CCCCC3
|
|
|
436
|
CN(C)C(=O)NCCN1CCCCCc2c1cccc2
|
|
|
437
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
438
|
C[C@@H]1CC2=C([C@@H](Sc3ccccc3N2)c4ccccc4)C(=O)C1
|
|
|
439
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
440
|
CN1[C@@H](C(=CC1=O)n2c3ccccc3nn2)Cc4ccccc4
|
|
|
441
|
c1ccc(cc1)C(=O)c2c3n(nn2)CC(=O)OC34CCCCC4
|
|
|
442
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
443
|
Cn1c(cc(=O)n(c1=O)C)Cn2nc(nn2)c3ccccc3
|
|
|
444
|
|
|
|
445
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
446
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
447
|
c1cc(oc1)c2c3c(c(c(c2C#N)N)C#N)CCCC3
|
|
|
448
|
|
|
|
449
|
CCOC(=O)C1=C(NC(=C2[C@@H]1c3ccccc3OC2=O)C)C
|
|
|
450
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
451
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
452
|
C[C@@H]1C(=O)N=C(N1c2nc(nc(n2)OC)NC(C)C)N
|
|
|
453
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
454
|
Cn1c(c(nnc1=O)c2ccsc2)c3ccsc3
|
|
|
455
|
Cc1c(=O)nc-2n(n1)[C@@H](Nc3c2cccc3)C(=O)[O-]
|
|
|
456
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
457
|
COc1ccc(c(c1)O)c2c(cn[nH]2)c3ccccc3OC
|
|
|
458
|
c1cc2c(cc1S(=O)(=O)N3CCCCC3)N=C(CS2)O
|
|
|
459
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
|
460
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
461
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
462
|
|
|
|
463
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
464
|
Cc1nc(on1)Cn2c(=O)n(c(=O)n(c2=O)CC=C)CC=C
|
|
|
465
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
466
|
c1cc(cc(c1)Cl)n2ccc(n2)c3cnccn3
|
|
|
467
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
468
|
CC(=C1CC[C@@]2([C@@]1([C@@H](C(=O)O2)Cc3ccccn3)C)C)C
|
|
|
469
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
470
|
C/C=c/c(cc(n/c1=C(C)/O)C)n2cncn2
|
|
|
471
|
c1ccc(cc1)Cn2c(nnc2Cl)C3CC3
|
|
|
472
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
473
|
|
|
|
474
|
CCOc1cnc(o1)c2c(onc2c3ccccc3Cl)C
|
|
|
475
|
CCOC(=O)[C@@H]1[C@@H]2[C@@H](C3CCCCC3O2)C4CC(CCC4N1)CL
|
|
|
476
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
477
|
CSc1nnc(n1c2ccccc2)N3CCCCC3
|
|
|
478
|
c1ccc(cc1)C(=O)Nc2cnc3n(c2=O)ncs3
|
|
|
479
|
c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
|
|
|
480
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
|
481
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
|
482
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
|
483
|
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
|
|
|
484
|
|
|
|
485
|
CCOC(=O)C1=C(N=C2Nc3ccccc3N2[C@@H]1c4ccco4)C
|
|
|
486
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
487
|
|
|
|
488
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC(=O)c2ccccc2)CC=C
|
|
|
489
|
CCN(CC)C(=O)/C=C(/CCCC#N)Sc1ccccc1
|
|
|
490
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
491
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
|
492
|
CN(C)C1NC(NC(N1)N(C)CN(C)C2CCCCC2)N(C)C
|
|
|
493
|
|
|
|
494
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
|
495
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
496
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
497
|
c1cc2cccc3c2c(c1)N=C4N3C(=O)OC4
|
|
|
498
|
C1CCC(C(C1)C2CCCCC2C3=NC3)C4=NC4
|
|
|
499
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
|
500
|
c1ccc2c(c1)c(c3c(n2)C[C@@H]4CCCN3C4)C(=O)[O-]
|
|
|
501
|
CN1CCCc2c1n(c3ccccc3c2=O)Cc4ccccc4
|
|
|
502
|
C[C@@H](Cc1ccccc1)N(CC#C)C(=O)OC2=CCN(CC2)C
|
|
|
503
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
|
504
|
C[C@@]1(CC(=NN2C3CCCCC3C4C2C1CCC4)C(=O)[O-])C(=O)[O-]
|
|
|
505
|
Cc1cnc(s1)[C@@]2(Cc3ccccc3N4[C@@H]2CCC4)C#N
|
|
|
506
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
507
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
508
|
CN(C)c1nc(n(n1)S(=O)(=O)c2cccs2)N(C)C
|
|
|
509
|
c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C(=O)NC4
|
|
|
510
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
|
511
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
512
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
513
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
514
|
c1ccc(cc1)c2c3c(n[nH]c3nnc2c4ccccc4)N
|
|
|
515
|
C/C(=N/Cc1ccc(cc1)F)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
516
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
517
|
Cc1cc(n(n1)c2nc(nc(n2)OC)n3c(cc(n3)C)C)C
|
|
|
518
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
519
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
520
|
Cc1cc(nc(n1)N2C=C[C@H]3[C@@H]4C[C@H]([C@@H]2C3=O)C=C4)C
|
|
|
521
|
c1ccc(c(c1)Nc2c(c(c(c3n2nnn3)C#N)Cl)Cl)F
|
|
|
522
|
CCCCN1CCS(=O)(=O)c2c1c(nc(c2F)F)F
|
|
|
523
|
c1ccc(cc1)C2=C(NNC(=[NH2+])N2)c3ccccc3
|
|
|
524
|
Cc1cc-2n(n1)[C@@H](Nc3c2cccc3)c4cccnc4
|
|
|
525
|
CCCCc1c(nc(nc1OS(=O)(=O)N(C)C)NCC)C
|
|
|
526
|
CCc1nc2ccsc2c(n1)c3ccccn3
|
|
|
527
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
528
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
529
|
|
|
|
530
|
Cc1cc(c(s1)C)c2c(c(oc2c3cc(sc3C)C)N)C#N
|
|
|
531
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
532
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
|
533
|
Cn1c(=O)c(c(cn1)SCc2ccco2)Cl
|
|
|
534
|
c1ccc(c(c1)C2=N/C(=Cc3ccco3)/C(=N2)O)Br
|
|
|
535
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
536
|
c1ccc(cc1)[N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O
|
|
|
537
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
538
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
539
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
540
|
c1ccc2c(c1)c3c([nH]2)[C@@]45CCCC=C4N(C(=O)N5CC3)CCO
|
|
|
541
|
Cc1c2cc3c(nc2n(n1)C)C(=O)OCC3
|
|
|
542
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
543
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
544
|
CC1(C=C(c2c1ccc(c2)C#N)n3ccccc3=O)C
|
|
|
545
|
c1cc(ccc1Cn2c(=O)oc(n2)c3ccoc3)C#N
|
|
|
546
|
c1ccc(cc1)COc2c(nccn2)N
|
|
|
547
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
548
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
549
|
CC1=C([C@@H]([C@@H](O1)c2ccccc2)c3ccc(cc3)OC)C(=O)[O-]
|
|
|
550
|
|
|
|
551
|
Cc1ccc2c(c1)c(cc(=O)o2)N3C[C@H]4C[C@@H]3c5n4c(=O)ccc5
|
|
|
552
|
Cc1nn(c(=O)o1)c2cc(ccn2)C(F)(F)F
|
|
|
553
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
|
554
|
CCOC(=O)C1=C(NC(=O)c2c(ccc(c2OC)OC)[C@@H]1O)C
|
|
|
555
|
c1cc(sc1)c2cc(nc3c2c(c(o3)C(=O)[O-])N)C(F)(F)F
|
|
|
556
|
CC=NC2CCCCC2/C1=C/3C4CCCCC4C(=O)NN3
|
|
|
557
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
|
558
|
Cc1c2c(c(no2)c3ccccc3)nc(n1)C
|
|
|
559
|
c1ccc(cc1)n2c3c(ccc(=O)o3)cn2
|
|
|
560
|
Cc1cc(nc(n1)SC)C(=O)Nc2c(nsc2C)C
|
|
|
561
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
562
|
C[C@@]12C([C@@](C(=O)N1)(C([C@@H](O2)c3ccccc3)(C#N)C#N)C#N)(C)C
|
|
|
563
|
C[C@H]1c2c(c(=O)cc-3n2CCc4c3cccc4)C(=O)O1
|
|
|
564
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
|
565
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
|
566
|
CC1NCC(N1CC2CCCCC2)[C@@H](C3CCCO3)O
|
|
|
567
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|