Menu
Virtual screening for IDP 3QYQ - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
2
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
3
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
4
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
5
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
6
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
7
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
8
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
9
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
10
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
11
|
CN(C)C(=O)c1coc2c1nc3ccccc3n2
|
|
|
12
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
13
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
14
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
15
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
16
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
17
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
18
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
19
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
20
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
21
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
22
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
23
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
24
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
25
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
26
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
|
27
|
|
|
|
28
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
|
29
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
30
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
31
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
|
32
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
33
|
CN(CCc1ccccn1)c2nc(=[N+](C)C)ss2
|
|
|
34
|
CCOC(=O)[C@@H]1C2C(NC3CCCCC3N2)N4[C@@H]1CCC4
|
|
|
35
|
CCn1c2ccccc2nc(c1=O)[C@H]3c4ccccc4NC3=O
|
|
|
36
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
37
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
38
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
39
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
40
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
41
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
42
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
|
43
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
44
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
45
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
46
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
47
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
48
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
|
49
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
50
|
CCn1cc2c(n1)c(=O)n(nn2)C3CCCCC3
|
|
|
51
|
|
|
|
52
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
53
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
54
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
55
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
56
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
57
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
58
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
|
59
|
Cc1cccc(n1)n2cc(c(nc2=O)[O-])C#N
|
|
|
60
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
|
61
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
62
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
63
|
Cc1cc(=O)n2ccc3c(c2n1)oc(n3)C
|
|
|
64
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
65
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
|
66
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
67
|
c1cc2c(cc1c3c4ccoc4ccn3)OCCO2
|
|
|
68
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
69
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
70
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
71
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
72
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
73
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
74
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
75
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
|
76
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
77
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
78
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
79
|
c1ccc2c(c1)nnn2c3cnccn3
|
|
|
80
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
81
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
|
82
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
83
|
CCNc1nc(nc(n1)Cl)Sc2nnc(s2)SC
|
|
|
84
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
|
85
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
86
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
87
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
88
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
89
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
|
90
|
Cc1ccc(n1c2c3c(cccc3F)n(n2)S(=O)(=O)C)C
|
|
|
91
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
92
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
|
93
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
94
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
95
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
96
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
97
|
c1ccc2c(c1)c3c(nn2)nn4c(=O)cc(nc4n3)C(F)(F)F
|
|
|
98
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
99
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
|
100
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
101
|
C[C@@H]1COCCN1Cn2c(=O)cc3c(n2)CCC3
|
|
|
102
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
|
103
|
|
|
|
104
|
c1ccc(cc1)COc2c(nccn2)N
|
|
|
105
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
106
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
107
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
108
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
109
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
|
110
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
|
111
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
112
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
|
113
|
Cc1ncc2c(n1)-c3cc(ccc3SC2)F
|
|
|
114
|
CSc1nnc(s1)CN2CCSc3c2cccc3
|
|
|
115
|
COC(=O)Oc1c(c2c(s1)nc3ccccc3n2)N
|
|
|
116
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
117
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
118
|
Cc1ccc(c(c1)n2c(c(cn2)n3cncn3)O)C
|
|
|
119
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
120
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
121
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
122
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
123
|
c1ccc2c(c1)cccc2[C@H]3C(=O)c4ccsc4O3
|
|
|
124
|
CCc1nnc(c2n1ccc2)N3CCC(CC3)C(=O)[O-]
|
|
|
125
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
126
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
127
|
c1cc(oc1)Cn2c(=O)c3cnc(nc3nc2[O-])n4ccnc4
|
|
|
128
|
CC1CCN(CC1)c2ncc3c(n2)-c4cn(nc4NCC3)C
|
|
|
129
|
Cc1cc(nc(n1)Sc2ccc(nn2)Cl)C
|
|
|
130
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
131
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
|
132
|
|
|
|
133
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
|
134
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
135
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
136
|
Cn1c(cc(n1)Oc2ccc(cn2)C(F)(F)F)C(F)(F)F
|
|
|
137
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
138
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
139
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
140
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
141
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
142
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
143
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
144
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
145
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
146
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
|
147
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
148
|
Cc1ccc(cc1)N2C[C@@H]3Cc4ccccc4CN3C2
|
|
|
149
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
|
150
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
151
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
152
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
153
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
|
154
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
155
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
156
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
|
157
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
158
|
c1ccc2c(c1)c3c([nH]2)nc4c(n3)non4
|
|
|
159
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
160
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
161
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
162
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
163
|
C1CNC2C3CNC4C(C3NN2C1)CCS4
|
|
|
164
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
|
165
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
166
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
167
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
168
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
169
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
170
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
171
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
172
|
|
|
|
173
|
c1ccc2c(c1)nc3c(n2)SC4=NC(=O)CC(=O)N34
|
|
|
174
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
175
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
176
|
c1ccc2c(c1)[nH]c(n2)[C@H](C#N)c3c(nc(c(n3)C#N)C#N)Cl
|
|
|
177
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
178
|
|
|
|
179
|
CCc1cc(c(cc1OC)O)c2c(cn[nH]2)c3nc(cs3)C
|
|
|
180
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
181
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
|
182
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
183
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
184
|
CN(Cc1c(snn1)Cl)S(=O)(=O)c2ccc(cc2)F
|
|
|
185
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
|
186
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
187
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
188
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
189
|
c1ccc2c(c1)nc(c3n2ccc3)n4cccc4
|
|
|
190
|
Cc1c(nn(c(=O)c1C#N)Cc2nc3ccccc3o2)C
|
|
|
191
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
|
192
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
|
193
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
194
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
195
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
|
196
|
Cc1c(c(no1)c2ccccc2)c3nc4ccccc4c(=O)o3
|
|
|
197
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
|
198
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
|
199
|
Cc1cc(nc(n1)SNc2ccccc2OC)C
|
|
|
200
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
201
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
202
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
203
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
204
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
205
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
206
|
CCOc1ccc(nn1)Sc2cc(nc(n2)SCC)C
|
|
|
207
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
208
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
209
|
CSC1NC2C(S1)NC(OC2=O)C3CCCCC3
|
|
|
210
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
211
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
212
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
213
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
|
214
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
215
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
216
|
c1cc(ccc1Cn2c(=O)oc(n2)c3ccoc3)C#N
|
|
|
217
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
218
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
|
219
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
220
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
|
221
|
COC(=O)/C=C/C(=O)N2c3ccccc3[N-]C2=N1
|
|
|
222
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
|
223
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
|
224
|
c1cnc(nc1c2nccs2)N
|
|
|
225
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
|
226
|
CCc1nnc(o1)COC(=O)cc([n-]s/c2=NC)C
|
|
|
227
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
|
228
|
c1ccc2c(c1)nnn2S(=O)(=O)c3ccco3
|
|
|
229
|
|
|
|
230
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
231
|
C[C@@H](c1ccc(cc1)CC(C)C)/C(=N/S(=O)(=O)C)/[O-]
|
|
|
232
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
233
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
234
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
235
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
236
|
Cn1c(cc(=O)n(c1=O)C)Cn2nc(nn2)c3ccccc3
|
|
|
237
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
238
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
239
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
240
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
241
|
COc1nc(nc(n1)Sc2ccc(cc2)N)OC
|
|
|
242
|
c1ccc2c(c1)C(=O)O[C@@]3(N2C(=O)[C@@H]4[C@@H]3[C@H]5C[C@@H]4C=C5)O
|
|
|
243
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
244
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
|
245
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
246
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
247
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
248
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
249
|
|
|
|
250
|
|
|
|
251
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
252
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
253
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
254
|
|
|
|
255
|
Cc1nc(on1)CN2CCSc3c2cccc3
|
|
|
256
|
|
|
|
257
|
CCOc1ccc2c(nc(nc2c1)/N=C/NCCC(=N3)[O-])C
|
|
|
258
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
259
|
c1ccc-2c(c1)-c3c2nc4ccccc4n3
|
|
|
260
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
|
261
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
262
|
|
|
|
263
|
CCOc1cc2c(cc1F)nnc(n2)C
|
|
|
264
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
|
265
|
Cc1cc(no1)Cn2cnc3ccccc3c2=O
|
|
|
266
|
c1cc2c(c(c1)n3cccn3)CCCN2
|
|
|
267
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
|
|
268
|
c1ccnc(c1)c2ccc(s2)NC(=O)N3CCOCC3
|
|
|
269
|
c1ccc2c(c1)nc3c(n2)nc[n-]3
|
|
|
270
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
|
271
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
272
|
|
|
|
273
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
274
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
|
275
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
276
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
|
277
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
|
278
|
c1cc2c(nc3ccsc3n2c1)N4CCC=CC4
|
|
|
279
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
|
280
|
C[C@@]12CCC3=C([C@@H]1CC[C@@H]2O)CC4CNN(C4C3)C5CCCCC5
|
|
|
281
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
282
|
Cn1c(=O)[nH]c(=O)n(c1=O)c2ccc(cc2)Oc3ccc(cc3)F
|
|
|
283
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
284
|
c1ccc(cc1)n2nc/3c(n2)/N=Cc4c(cccc4)/C=N3
|
|
|
285
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
286
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
287
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
288
|
c1ccnc(c1)SCCn2cccn2
|
|
|
289
|
CCc1nc2ccsc2c(n1)c3ccccn3
|
|
|
290
|
Cc1c-2c(oc1C(=O)[O-])CCc3c2nc(s3)C
|
|
|
291
|
c1ccc-2c(c1)Cc3c2nc4ncnn4c3
|
|
|
292
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
293
|
Cc1cnc(o1)COc2ccccc2
|
|
|
294
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
295
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
296
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
|
297
|
c1cc(c2c(c1)[C@@H](c3cc(cnc3C=C2)N4CCCC4)O)C#N
|
|
|
298
|
COC1CCC(CC1)/C=C/2C(=C)[NH]N(C2=O)CC3CCCCC3
|
|
|
299
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
|
300
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
301
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
302
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
303
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
|
304
|
CCSc1ncc(n1C)c2cc(c3ccccc3n2)C(=O)[O-]
|
|
|
305
|
C1Cc2c(nc(nc2c3c4c(nc(n3)N)CCC4)N)C1
|
|
|
306
|
CCc1nc(c2n1c(ccc2)C)N3CCCC3=O
|
|
|
307
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
308
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
309
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
|
310
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
|
311
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
312
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
|
313
|
Cc1c2c(oc(c2c(=O)[nH]n1)NC(=O)Cn3ccnc3)C
|
|
|
314
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
315
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
316
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
317
|
Cc1cc(nc2c1c(=O)nc3n2ncs3)C
|
|
|
318
|
c1cc(cnc1)c2nc3c4c(ncn3n2)CCC4
|
|
|
319
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
|
320
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
321
|
CCn1c2ccccc2nc1c3cnn(n3)c4ccccc4
|
|
|
322
|
Cc1nc-2n(n1)Cc3c2cccc3
|
|
|
323
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
324
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
325
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
326
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
327
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
328
|
c1ccc2c(c1)Nc3c(nc4c(n3)non4)S2
|
|
|
329
|
Cn1c(=O)c(nn(c1=O)C)Sc2ccccc2F
|
|
|
330
|
c1ccc(cc1)c2nc(c3n2CCCCC3)C(=O)[O-]
|
|
|
331
|
|
|
|
332
|
|
|
|
333
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
334
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
335
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
|
336
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
337
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
338
|
COc1ccc(c(c1)O)c2c(cn[nH]2)c3ccccc3OC
|
|
|
339
|
COc1ccc(cc1c2cccc(c2)OC3(CCCC3)C(=O)[O-])F
|
|
|
340
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
341
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
342
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
|
343
|
c1ccc(cc1)c2c(c-3c(oc2=O)CCc4c3cccc4)[O-]
|
|
|
344
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
345
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
|
346
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
347
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
348
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
349
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
350
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
|
351
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
|
352
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
|
353
|
CN1C2CCCCC2S(=O)(=O)N3C1NNC3CC4CCCCC4
|
|
|
354
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
355
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
356
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
357
|
CCc1n[n-]/c(=N/C(=O)c2c(c(c(c(c2F)F)F)F)F)/s1
|
|
|
358
|
C=CCc1nc(c2n1cccc2)N3CCOC3=O
|
|
|
359
|
COc1ccnc(n1)Sc2nnc(s2)SC
|
|
|
360
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
361
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
362
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
363
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
364
|
c1c(c(c(=O)n(n1)Cc2c(snn2)Cl)Cl)Cl
|
|
|
365
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
366
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
|
367
|
c1ccc(cc1)n2c(ncn2)CN3CCCC3=O
|
|
|
368
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
369
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
370
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
371
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
372
|
|
|
|
373
|
Cc1cc(no1)[C@@H]2C([C@@H](C2(C)O)c3cc(on3)C)[O-]
|
|
|
374
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
375
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
376
|
CC[C@@H](C(=O)N1CCC=CC1)Nc2cccc(c2)OC
|
|
|
377
|
|
|
|
378
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
|
379
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
380
|
CCN1C=C2[C@@H](CN=C2c3c1cc(cc3)c4ccncc4)O
|
|
|
381
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
382
|
Cc1ccc(c2c1cc3c(n2)OCC(=O)N(C3)C4CC4)C
|
|
|
383
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
384
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
|
385
|
c1ccc2c(c1)Nc3c(nc4c(n3)non4)N2
|
|
|
386
|
c1ccc2c(c1)Nc3c(nc4c(n3)non4)N2
|
|
|
387
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
388
|
Cc1cc(c(c(=O)o1)[C@@H]2c3ccccc3C(=O)O2)O
|
|
|
389
|
c1ccc2c(c1)nc3n2nnc4c3cn[nH]4
|
|
|
390
|
c1csc2c1c(ncn2)n3ccnc3
|
|
|
391
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
|
392
|
c1ccc(cc1)C(=O)[C@H](C#N)C2=NCCC2
|
|
|
393
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
394
|
[H]/N=c/n(cc(s1)c2ccccc2)c3ccccc3C
|
|
|
395
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
396
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
397
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
|
398
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
399
|
CCOC(=O)c1nc(on1)Oc2ccc(cc2Cl)Cl
|
|
|
400
|
CCc1c(nc(c(n1)NC(CC)CC)CC)Nc2ccccn2
|
|
|
401
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
402
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
403
|
Cn1cc(nc1)S(=O)(=O)Oc2ccsc2C(=O)OC
|
|
|
404
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
405
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
|
406
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
407
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
408
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
|
409
|
C[C@@H]1Cc2c3c(cccc3N1)ncn2
|
|
|
410
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
|
411
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
|
412
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
413
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
414
|
Cc1c(c(n(n1)Cc2nc(cs2)C(C)(C)C)C)Br
|
|
|
415
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
416
|
Cc1c(sc(n1)Cc2nc(cs2)O)C
|
|
|
417
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
418
|
Cn1c2c(cccn2)nc(c1=O)[NH+]3CCC[C@@H]3C(=O)[O-]
|
|
|
419
|
|
|
|
420
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
421
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
422
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
423
|
c1ccc2c(c1)c3ccc(nc3[nH]2)N
|
|
|
424
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
425
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
426
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
427
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
|
428
|
Cn1c2c(cn1)c(ncn2)n3cnc4c3cccc4
|
|
|
429
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
|
430
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
|
431
|
CN(c1ccc(cc1)OC)c2c3c(ccn2)ccs3
|
|
|
432
|
|
|
|
433
|
Cc1nn(c(=O)c2n1ccn2)CC(=O)OC
|
|
|
434
|
c1ccc(cc1)c2c(cno2)c3nnnn3c4ccccc4
|
|
|
435
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
436
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
437
|
Cc1c(ccc(=O)n1c2ccccc2)n3c4ccccc4nn3
|
|
|
438
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
439
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
440
|
c1ccc2c(c1)ncn2c3c(nc4nccn4n3)C(F)(F)F
|
|
|
441
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
442
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
443
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
444
|
CCOC(=O)c1c2n(c3c1ncnc3SC)CCC2
|
|
|
445
|
c1ccc(c(c1)[C@@H]2c3ccsc3[C@@H]4CCCC[C@@H]4O2)N
|
|
|
446
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
447
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
448
|
c1coc2c1-c3c(cnc(n3)N)CC2
|
|
|
449
|
Cn1cnc2c(c1=O)noc2C(=O)c3ccccc3
|
|
|
450
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
|
451
|
c1ccc2c(c1)ccc(c2C3=c4ccccc4=CC[C@@]3(N)O)O
|
|
|
452
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
453
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
454
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
455
|
CC1=C[C@@H]2Cc3c(c(c4c(n3)oc(n4)C5CC5)N)[C@@H](C2)C1
|
|
|
456
|
c1ccc(cc1)c2cc3c(nc2)CCc4c(cccc4C#N)C3
|
|
|
457
|
c1ccc(cc1)c2nnn(n2)CCS(=O)(=O)N3CCOCC3
|
|
|
458
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
|
459
|
c1ccc(c(c1)C2=N/C(=Cc3ccco3)/C(=N2)O)Br
|
|
|
460
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
461
|
C1CC/C(=C(C#N)/c2nnc3n2CCCC3)/NCC1
|
|
|
462
|
Cc1c(c2ccccc2/c(=[NH+]/C(=O)C)/o1)C#N
|
|
|
463
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
464
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
465
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
466
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
467
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
|
468
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
469
|
[H]/N=c/n(cc(o1)c2ccc(cc2)CC)c3nc(cc(n3)C)C
|
|
|
470
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
471
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
|
472
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
|
473
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
|
474
|
COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
|
|
|
475
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
476
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
477
|
C1CCC2C(C1)C3=NC(C[C@@H]3CO2)(C(F)(F)F)C(F)(F)F
|
|
|
478
|
c1cc2c(cc1Cl)ncn3c2nn(c3=O)CC(=O)N
|
|
|
479
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
480
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
|
481
|
c1cc(ccc1[C@@H]2CN=CC=N2)[C@@H]3CN=CC=N3
|
|
|
482
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
483
|
CCSc1nnc(s1)N/C(=C/Sc2ncccn2)/[O-]
|
|
|
484
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
|
485
|
c1nnc2n1nc3c(c2[O-])CCC3
|
|
|
486
|
|
|
|
487
|
CCOCc1cn(c(nc1=[NH2+])C)CC(=O)c2ccccc2
|
|
|
488
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
489
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
490
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
|
491
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
|
492
|
Cc1ccc(cc1)S(=O)(=O)c2csc(n2)C
|
|
|
493
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
|
494
|
C[C@@H]1Cc2nc(cc(=O)n2N1c3ccccc3)[O-]
|
|
|
495
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
496
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
497
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
|
498
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
499
|
Cc1nc2n(n1)[C@@H](c3cc(ccc3S2)N)O
|
|
|
500
|
Cc1cnc(c(c1OC)C)C[C@@H]2Nc3ccccc3S2
|
|
|
501
|
|
|
|
502
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
503
|
|
|
|
504
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
505
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
506
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
507
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
508
|
|
|
|
509
|
Cc1cc(n(n1)c2nnc3n2N=C(CS3)C)C
|
|
|
510
|
c1cc(c(c2c1nccn2)Br)N=C3NCCN3
|
|
|
511
|
c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
|
|
|
512
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
513
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
514
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
|
515
|
c1c(c(c(=O)n(n1)Cc2ncno2)Cl)Cl
|
|
|
516
|
CC1=CC(=C(O[C@@H]1c2cccnc2)C)C(=O)OC
|
|
|
517
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
|
518
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
|
519
|
c1ccc(cc1)[C@@H]2CC(=O)[C@@H](c3n2c4ccccc4n3)C#N
|
|
|
520
|
CN(Cc1ccc(cc1)C#N)Cn2cc(cn2)Cl
|
|
|
521
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
522
|
c1cc(ccc1c2nc(cs2)SCC(=O)[O-])Cl
|
|
|
523
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
524
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
|
525
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
526
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
527
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
528
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
529
|
c1ccc2c(c1)-c3c(c(=O)n([nH]3)c4ccccn4)CS2
|
|
|
530
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
531
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
532
|
c1ccc2c(c1)nc3=c4ccc(cc4=c3n2)Cl
|
|
|
533
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
534
|
Cc1c(=O)n2c(nn1)sc(n2)c3ccco3
|
|
|
535
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
536
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
537
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
|
538
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
539
|
C1CCN(CC1)C2NC(=O)C(NS2)N
|
|
|
540
|
Cc1cc(=O)n2c(n1)sc(n2)Sc3ncnn3N
|
|
|
541
|
c1cnn(c1)c2cncc(n2)N3CCCC3
|
|
|
542
|
Cc1ccc2c(c1)nnc(n2)N
|
|
|
543
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
544
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
|
545
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
546
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
|
547
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
548
|
c1cc(ccc1C(=O)N2CC=C(N=CC2)C(F)(F)F)Cl
|
|
|
549
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
550
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
551
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
|
552
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
|
553
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
|
554
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
|
555
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
556
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
|
557
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
558
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
|
559
|
c1ccc2c(c1)CC[NH+]=C2c3ccco3
|
|
|
560
|
Cn1c(=O)ccn(c1=O)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
561
|
CCCCn1c(c(c2c1ncn(c2=[NH2+])c3nccs3)C)C
|
|
|
562
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
563
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
564
|
Cc1csc(=O)n1CN(C)Cc2ccc(s2)Cl
|
|
|
565
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
566
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
567
|
Cc1cc(no1)[C@@H]2CCCN2c3ncccn3
|
|
|
568
|
Cc1ccc(cc1)S(=O)(=O)[C@@H](C#N)c2c(nccn2)Cl
|
|
|
569
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
|
570
|
c1ccc2c(c1)[nH]c(=O)n2c3nc4c(o3)cccn4
|
|
|
571
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1= |