(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
2
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
3
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
4
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
5
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
6
|
CC1(c2c(c3ccccc3[nH]2)-c4c(ccc5c4oc(=O)cc5)O1)C
|
|
|
7
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
8
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
9
|
c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2)NCC3=COCCO3)F
|
|
|
10
|
CCOC(=O)c1c2cccc3c2n(c1c4ccccc4)CCS3
|
|
|
11
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
12
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
13
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
|
14
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
15
|
c1ccc(cc1)C2=C(NNC(=[NH2+])N2)c3ccccc3
|
|
|
16
|
c1ccc(cc1)[C@@H]2c3c4ccccc4c(=O)[nH]c3N=C5N2C=CC=C5
|
|
|
17
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
18
|
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
|
|
|
19
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
20
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
21
|
CCCCn1c(nnn1)NC(=O)N(C)Cc2nc(no2)CC
|
|
|
22
|
CC(=O)OC[C@@H]1[C@H](C=C[C@@H](O1)SC2CCCCN2)OC(=O)C
|
|
|
23
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
24
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
25
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
|
26
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
27
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
28
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
29
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
30
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
31
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
32
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
33
|
Cc1c(c(on1)c2ccc(cc2O)OC)c3cc4ccccc4o3
|
|
|
34
|
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
|
|
|
35
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
36
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
37
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
38
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
|
39
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
40
|
c1ccc2c(c1)-c3nc4ccccc4n3[C@H](N2)c5ccco5
|
|
|
41
|
c1ccc(cc1)c2cc(nc3c2c4c(o3)oc(n4)N)c5ccccc5
|
|
|
42
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
43
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
44
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
|
45
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
46
|
c1cc(ccc1[C@@H]2c3cc4c(cc3NC5=C2C(=O)OC5)OCO4)F
|
|
|
47
|
CC1(C=C(c2cc(ccc2C1=O)C#N)NC(=O)c3ccccn3)C
|
|
|
48
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
49
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
50
|
Cc1nc2ccccc2c(=O)n1N(c3ccccc3)C4=CC=CCC4
|
|
|
51
|
CCCCN1[C@@H](c2ccccc2C1=O)Sc3ccc(cc3)F
|
|
|
52
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
53
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
54
|
CCOC(=O)c1c2c3ccccc3[nH]c2n4c1scc4C
|
|
|
55
|
C1CCC(CC1)CNC(=O)/N=C/2N-3C(NS2)CC4C3CCCC4
|
|
|
56
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
57
|
c1ccc2c(c1)N=C(C[C@@H](S2)c3cccs3)c4ccco4
|
|
|
58
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
59
|
C=CC[C@@H]1CC=C[C@H](N1C(=O)c2[nH]ccn2)c3ccccc3
|
|
|
60
|
c1ccc(cc1)C2=CC(=N[C@@]2(c3ccccc3)O)c4ccccc4
|
|
|
61
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
62
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
63
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
64
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
65
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
66
|
c1ccc2c(c1)[C@@H]3[C@H]4C(=Nc5ccccc5N3C2=O)CCCC4=O
|
|
|
67
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
68
|
Cc1cc(no1)Nc2c3ccccc3nc4c2cccc4
|
|
|
69
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
70
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
71
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
72
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
73
|
Cc1cc(nc(n1)C2=[NH+]c3ncnn3[C@@H](N2)c4ccccc4)C
|
|
|
74
|
|
|
|
75
|
c1ccc(cc1)[C@H]2C(=C(OC2=O)c3ccc(cc3)O)c4ccccc4
|
|
|
76
|
Cc1c2c(c3ccccc3[nH]2)c4c([o+]1)CCCC4=O
|
|
|
77
|
COC1CCCC2C1OC(=C(C2)C(=O)N)NC3CCCCC3
|
|
|
78
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
79
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
80
|
c1ccc(cc1)c2c(oc3n2c(=O)ccc(=O)n3)c4ccccc4
|
|
|
81
|
c1ccc2c(c1)-c3nc(nn3[C@@H](N2)c4ccc(cc4)Cl)C5CC5
|
|
|
82
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
83
|
Cn1c2ccccc2nc1Nc3c(=O)[nH]c(=O)[nH]n3
|
|
|
84
|
Cc1c(c(n[nH]1)n2cnnc2)c3ccc(cc3)OC
|
|
|
85
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
86
|
c1cnccc1C2c3c(c(n[nH]c3=O)[O-])Nc4c2c(=O)[nH]nc4[O-]
|
|
|
87
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
88
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
89
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
90
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
91
|
|
|
|
92
|
c1ccc2c(c1)[C@@H](OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
|
|
|
93
|
CCOC(=O)N/C(=C/c1ccccn1)/c2ccc(cc2)Cl
|
|
|
94
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
95
|
C1CCC(CC1)C2(CN3CCOC3=N2)C4CCCCC4
|
|
|
96
|
c1ccc2c(c1)-c3c(c(c(c(=O)[nH]3)C#N)c4cccnc4)CS2
|
|
|
97
|
c1ccc(c(c1)C2=Nc3cncnc3NC2)N
|
|
|
98
|
c1ccc(cc1)c2cc(sc(=[N+]3CCCC3)c2)c4ccccc4
|
|
|
99
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
100
|
COc1ccc(cc1c2cccc(c2)OC3(CCCC3)C(=O)[O-])F
|
|
|
101
|
CCN(CC)/C(=C/n1ccccc1=O)/OC(=O)c2ccccc2
|
|
|
102
|
Cc1nc2n(n1)[C@H](CC(=N2)C(=O)[O-])[C@@H]3CCC=CC3
|
|
|
103
|
c1ccc2c(c1)nc3n2C4(CCCC4)NC(=[NH+]3)N
|
|
|
104
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
105
|
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F
|
|
|
106
|
Cc1nnc(o1)C(=O)c2c(c3ccccc3n(c2=O)C)OC(=O)C
|
|
|
107
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
108
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
|
109
|
CCN1CCN=C2C3CC(CCC3N4CNC5C4C2C1CC5)OC
|
|
|
110
|
Cn1c(c(nnc1=O)c2ccsc2)c3ccsc3
|
|
|
111
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
112
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
113
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
|
114
|
|
|
|
115
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
116
|
Cc1ccc(cc1)C2=Nc3ccccc3NC(=N2)c4ccncc4
|
|
|
117
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
118
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
119
|
|
|
|
120
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
121
|
c1ccc(cc1)c2c(nc3c(n2)c(nnc3N)N)c4ccccc4
|
|
|
122
|
Cc1c2c(oc(c2c(=O)n(n1)CC(=O)[O-])n3cccc3)C
|
|
|
123
|
CCC(=O)OC1=C[C@@H]2[C@@H](C=C1)N(C(=C2C(=O)OCC)C)C
|
|
|
124
|
CC1=C[C@@H](c2c(=O)[nH]c(=O)[nH]c2O1)c3ccccc3
|
|
|
125
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
|
126
|
CCOc1ccc(c(c1)O)c2c(cn[nH]2)c3ccc(cc3)OC
|
|
|
127
|
CC(C)(C)c1cc(cc([o+]1)C(C)(C)C)c2cn(c3c2cccc3)C
|
|
|
128
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
|
129
|
c1ccc2c(c1)[nH]c(n2)[C@H](C#N)c3c(nc(c(n3)C#N)C#N)Cl
|
|
|
130
|
c1ccc2c(c1)C(c3ccccc3O2)c4nnc(o4)[O-]
|
|
|
131
|
CC1(C=C(c2cc(ccc2C1=O)F)n3ccccc3=O)C
|
|
|
132
|
CCC[C@@H](C)n1c(nc2c1nccc2c3ccc(nc3C)O)CC
|
|
|
133
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
134
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
135
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
136
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
137
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
138
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
139
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
140
|
c1ccn(c1)c2c(c(c(o2)c3cccs3)C#N)c4cccs4
|
|
|
141
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
142
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
143
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
144
|
C[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C3CC(C(C(=O)O3)CO)OC
|
|
|
145
|
Cc1c(c(no1)c2ccccc2)c3nc4ccccc4c(=O)o3
|
|
|
146
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
147
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
148
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
149
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
150
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
151
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
152
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
153
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
154
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
155
|
CC(=O)NC1=C(c2ccccc2C1)C3=Cc4ccccc4C3
|
|
|
156
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
157
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
158
|
c1ccc(c(c1)C2=N/C(=C/c3ccco3)/C(=O)N2)Cl
|
|
|
159
|
CC1(C=C(c2cc(ccc2C1=O)Br)c3ccccn3)C
|
|
|
160
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
161
|
c1ccc(cc1)C2=C[C@@H](N3C(=[NH+]2)N=NN3)c4ccco4
|
|
|
162
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
163
|
Cc1c2c(n(n1)c3ccccc3)-c4ccccc4NC(=O)C2
|
|
|
164
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
165
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
166
|
CN1CC[C@@H](c2c1cccc2)n3c4ccccc4nn3
|
|
|
167
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
168
|
CC1=C([C@@H](c2c(c(sc2N1)C#N)N)c3ccncc3)C(=O)OC
|
|
|
169
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
170
|
CC(=O)N1CC2CC3C(C4C2C1CCC4)C[C@@H](CN3C)OC(=O)C
|
|
|
171
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
172
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
173
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
|
174
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
|
175
|
Cc1c(nc(o1)c2ccoc2)CN3CCC[C@H]3C(=O)OC
|
|
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176
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
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177
|
C[C@@]12CCC(=O)[C@@](C1=CCC3C2CC(CC3)OC)(C)CC(=O)OC
|
|
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178
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
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179
|
c1ccc2c(c1)c3c([nH]2)[C@@]45CCCC=C4N(C(=O)N5CC3)CCO
|
|
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180
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
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181
|
CC(=O)N1C=Cc2ccccc2[C@@H]1c3c[nH]c4c3cccc4
|
|
|
182
|
C[C@@H]1CCC2C(C3C(=O)[NH]C(=O)[NH]C3OC2=O)C1
|
|
|
183
|
CCc1ccc(cc1)[N-]S(=O)(=O)c2cc([nH]n2)C(=O)OCC
|
|
|
184
|
COc1ccc(cc1)C2=C(OCCC2)c3ccc(cc3)OC
|
|
|
185
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
|
186
|
Cc1c2c(n(n1)c3ccc(cc3)F)Oc4ccccc4N=C2
|
|
|
187
|
CCOc1ccc2c(c1)cc(c3n2c(=O)n(n3)C)C4OCCO4
|
|
|
188
|
CNC(=O)N(C)C1=N[C@@](C(=N1)C2CCCCC2)(C3CCCCC3)O
|
|
|
189
|
Cc1cccc2c1Oc3c(c(nn3c4ccccc4)N)C2
|
|
|
190
|
|
|
|
191
|
C1CCC(CC1)C2CC(O/C(=N/N3CNNC3)/C2)C4CCCCC4
|
|
|
192
|
|
|
|
193
|
CCCCN1c2cccnc2-c3c(cccn3)N=C1c4ccccc4
|
|
|
194
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
195
|
CNC1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl
|
|
|
196
|
COC(=O)c1c2cccc3c2c(o1)-c4ccccc4C3=O
|
|
|
197
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
198
|
CN1C=C[C@@H]2c3ccccc3[C@@H](C2=C1)c4ccccc4
|
|
|
199
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
|
200
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
201
|
CC(C)(C)C(=O)CC1=NC(=O)/C(=Cc2csnn2)/S1
|
|
|
202
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
203
|
c1cc(ccc1c2c(c[nH]n2)N3C=CCCC3=O)Cl
|
|
|
204
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
|
205
|
c1ccc(cc1)[C@H]2[C@@H]3CCCO[C@@H]3NC(=O)N2
|
|
|
206
|
Cc1ccc(o1)C2=Nc3ccccc3[N-]C(=N2)c4cccs4
|
|
|
207
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
208
|
c1ccc2c(c1)c3c(cc(nc3[nH]c2=O)C(F)(F)F)c4ccco4
|
|
|
209
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
210
|
c1cnn(c1)c2ccc(cc2c3nnc4n3ccnc4)F
|
|
|
211
|
Cc1c([o+]c(nc1c2ccccc2)c3ccccc3)/C=CN(C)C
|
|
|
212
|
CCOc1ccccc1N[C@@]2(CSc3n2c(=O)cc(n3)C)O
|
|
|
213
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
214
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
215
|
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
|
|
|
216
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
|
217
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
218
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
219
|
c1ccc(c(c1)C2=N/C(=Cc3ccco3)/C(=N2)O)Br
|
|
|
220
|
Cc1c(c2c(c(c1N)C)[C@@H](C(O2)(C)C)c3cccnc3)C
|
|
|
221
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
222
|
|
|
|
223
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
|
224
|
CC1([C@H]([C@@H](c2cc(ccc2C1=O)C#N)Oc3ccccn3)O)C
|
|
|
225
|
c1ccc2c(c1)-c3cccn3[C@@H](N2)c4ccc5c(c4)CCO5
|
|
|
226
|
COCCSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4
|
|
|
227
|
COc1ccc(cc1)c2csc3c2-n4cccc4C3=O
|
|
|
228
|
CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
|
|
|
229
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
230
|
CCOC(=O)C1=C(N=C2Nc3ccccc3N2[C@@H]1c4ccco4)C
|
|
|
231
|
c1ccc2c(c1)N(CCO2)C(=O)n3ccnc3
|
|
|
232
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
233
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
234
|
Cn1c(nnc1SC)Cn2c3ccccc3sc2=O
|
|
|
235
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
236
|
|
|
|
237
|
CCCCN1[C@@H](C(=C(C1=O)C)C)Nc2ccc(cc2)C#N
|
|
|
238
|
|
|
|
239
|
CCOc1nnc(s1)Cn2c(=O)c(c(c(n2)C)C)C#N
|
|
|
240
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
241
|
c1ccc2c(c1)[nH]c(=O)n2c3nc4c(o3)cccn4
|
|
|
242
|
CC1C2C(N(N1)C3CCCCC3)[C@@H](NC2=O)CC4CCCCC4
|
|
|
243
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
244
|
c1cc(c(nc1)Sc2cn[nH]n2)C(F)(F)F
|
|
|
245
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
246
|
CN1CCCc2c1n(c3ccccc3c2=O)Cc4ccccc4
|
|
|
247
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
248
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
249
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
|
250
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
251
|
c1ccc(cc1)[C@@H]2N(C(=O)C=C(O2)c3ccccc3)c4ccccc4
|
|
|
252
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
253
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
254
|
c1ccc2c(c1)c-3c4c(nc(=[NH2+])c3c(o2)O)CCCCC4
|
|
|
255
|
C1CC(OC1)C2C3C(CNNC3OC2C4CCCO4)N
|
|
|
256
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
257
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
258
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
259
|
|
|
|
260
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
261
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
262
|
C1NC2C(C(N1)N)SNC2[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
263
|
CCOc1c(c(=O)c1=O)/C=C/N(c3ccccc3S2)CC#C
|
|
|
264
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
265
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
266
|
CC1(Cc2c(cc3c4c([nH]c(=O)[nH]4)sc3n2)CO1)C
|
|
|
267
|
CCc1c(nc(c(n1)NC(CC)CC)CC)Nc2ccccn2
|
|
|
268
|
c1ccc2c(c1)nc3n2[C@@H](NC(=[NH+]3)N)c4ccco4
|
|
|
269
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
270
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
271
|
CSc1c(c(c(s1)c2cc[nH]n2)c3ccco3)C#N
|
|
|
272
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
273
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
274
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
275
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
276
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
277
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
278
|
CCc1nc(cn1/C(=C/C(=O)n2cc(nc2CC)C)/[O-])C
|
|
|
279
|
Cc1ccc(n1c2c(c(c(o2)c3ccco3)c4ccco4)C#N)C
|
|
|
280
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
281
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
282
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
283
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
284
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
|
285
|
Cc1ccc(cc1)[S@@](=NC(=O)C)(=O)Oc2ccccc2
|
|
|
286
|
c1cc2c(c(c(o2)c3ccncc3)c4ccc(cc4)F)nc1
|
|
|
287
|
CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
|
|
|
288
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
289
|
C1CCC2C(C1)CC[C@@H]3N2[C@@H]4C5CCCCC5C(=O)N4CC3
|
|
|
290
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
291
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
292
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
293
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
294
|
Cc1ccc(cc1)S(=O)(=O)Oc2cc(nn3c2nnc3)C
|
|
|
295
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
|
296
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
297
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
|
298
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
|
299
|
CC(=O)NC1=C(N=C2N=CC=CN2C1)c3ccccc3
|
|
|
300
|
c1ccc(cc1)C2=NS(=O)(=O)Nc3c2cccc3
|
|
|
301
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
302
|
COc1cc(nc(n1)Oc2ccccc2c3ccno3)OC
|
|
|
303
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
304
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
|
305
|
[H]/N=c/[nH]c-2c(s1)-c3cccc4c3c2ccc4
|
|
|
306
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
307
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
308
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
309
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
310
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
311
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
312
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
313
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
314
|
CC(=O)N1CCC(=C2c3ccccc3CCc4c2nccc4)CC1
|
|
|
315
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
316
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
317
|
c1ccc2c(c1)nn(n2)c3cc(n[nH]3)O
|
|
|
318
|
CC1([C@@](c2ccccc2O1)(c3ccc4ccccc4n3)O)C
|
|
|
319
|
COC1C2C(C(C3C1[C@@H](C4CCCCC4C3=O)O)OC)CC=CC2
|
|
|
320
|
CN1CCC2C1CCC3C2OS(=O)(=O)C=C3N4CCOCC4
|
|
|
321
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
322
|
COc1ccc(cc1)[C@@H]2C(=NC(=O)N2)c3ccc(cc3)OC
|
|
|
323
|
[H]/N=C/[C@@H](c2c(nc3ccccc3n2)Sc4ccccc4N1)C#N
|
|
|
324
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
325
|
CCOC1=C[C@@H](Oc2c1cccc2)c3ccc(cc3)F
|
|
|
326
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
327
|
c1cocc1c2c(cc3c(n2)CCC3)C(=O)N
|
|
|
328
|
CCC1=C([C@@H](C2=C(N1)CCCC2=O)c3ccccc3)C(=O)OCC
|
|
|
329
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
330
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
331
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
|
332
|
Cccccn(/c1=[NH+]C(=O)C2CC2)C(=O)C3CC3
|
|
|
333
|
COC1CC2C(CC1OC)-C3C(OC(=O)N3CC2)C4CCCCC4
|
|
|
334
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
335
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
336
|
CO[C@@]1(CC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
337
|
CC1(C=Nc2c(cc(=O)c-3c(c4ccccc4n(c23)C)O)O1)C
|
|
|
338
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
339
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2c4ccccc4C=C3)C#N
|
|
|
340
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
|
341
|
CCn1c2ccccc2nc(c1=O)[C@H]3c4ccccc4NC3=O
|
|
|
342
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
|
343
|
CC(C)(C)[C@@]1(NC(=O)N2C=CC=CC2=N1)c3ccccc3
|
|
|
344
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
345
|
c1cc(ccc1N2C3=CCCCC3=C(C2=O)O)Cl
|
|
|
346
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
347
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
348
|
c1cc(sc1)c2cc(nc3c2c(c(o3)C(=O)[O-])N)C(F)(F)F
|
|
|
349
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
350
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
|
351
|
Cc1c(c(n(n1)C)C)Nc2nc([nH]n2)N
|
|
|
352
|
Cc1c-2c(oc1C(=O)[O-])CC(c3c2nc4ccccc4n3)(C)C
|
|
|
353
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
354
|
CC1=[NH+]c2ccc(cc2-c3c(c4ccccc4[nH]3)N1)Cl
|
|
|
355
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3=O)NC4=C2C(=O)OC4
|
|
|
356
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
357
|
c1ccc2c(c1)Oc3cc4cc[nH]c4cc3S2
|
|
|
358
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
359
|
|
|
|
360
|
Cc1cc2c(o1)cc(nc2Nc3cccc(c3)Cl)C(=O)OC
|
|
|
361
|
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
|
|
|
362
|
c1ccc(cc1)c2c(c3ccc(nc3[nH]2)C(=O)[O-])C4CCCCC4
|
|
|
363
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
364
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
365
|
C1CCC(CC1)[C@@H]2CC(=NS(=O)(=O)N2)C3CCCCC3
|
|
|
366
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
367
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
368
|
C1CCC(CC1)N2C3CCCCC3S(=O)(=O)N4C2=NCC4
|
|
|
369
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
370
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
371
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
372
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
|
373
|
c1cc(oc1)[C@@H](c2c(n3c(s2)ncn3)[O-])N4CCOCC4
|
|
|
374
|
c1ccc2c(c1)nc3c(n2)C(=O)C(=C(C3=O)O)[O-]
|
|
|
375
|
CN1[C@@H](C(=CC1=O)n2c3ccccc3nn2)Cc4ccccc4
|
|
|
376
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
377
|
c1ccc2c(c1)C(=O)c3c(cc4c(c3C2=O)NCCN4)O
|
|
|
378
|
|
|
|
379
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
380
|
CNC1=N[C@H](N(S1)c2ccccc2)c3ccccc3
|
|
|
381
|
C[C@@H]1c2ccccc2OC(=C1CN3CCOCC3)c4ccccc4
|
|
|
382
|
CCOC(=O)N1CN(Cc2c1oc3ccccc3c2=O)CCO
|
|
|
383
|
CC1=CC(C=C2N1C(=O)C[C@@H](N2)C(=O)Nc3ccccc3)(C)C
|
|
|
384
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
385
|
CN1C(=O)C(C(CN1)SC2NC3CCCCC3S2)CL
|
|
|
386
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
387
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
|
388
|
c1cc(oc1)c2cn3c4ccc(c(c4n5c3c2CCCC5)F)F
|
|
|
389
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
390
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
391
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
|
392
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3)[NH+]=C4N2NN=N4
|
|
|
393
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
394
|
c1ccc(cc1)[C@@H]2CCCn3c2cc4c3cccc4
|
|
|
395
|
c1ccc2c(c1)NC3=C([C@@H](S2)c4ccc(cc4)F)C(=O)OC3
|
|
|
396
|
Cc1c(c(on1)C)c2[nH]c3ccc(cc3n2)S(=O)(=O)N
|
|
|
397
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
398
|
c1ccc2c(c1)-c3c4c(cc5c3OCO5)CCN[C@@H]4[C@H]2O
|
|
|
399
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
400
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
401
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
402
|
Cn1ccc(n1)c2cc(nc3n2c4ccccc4n3)[O-]
|
|
|
403
|
Cc1c(n(c(c1S(=O)(=O)C)N)Cc2ccccc2)C
|
|
|
404
|
c1ccc(c(c1)[C@@H]2c3ccsc3[C@@H]4CCCC[C@@H]4O2)N
|
|
|
405
|
|
|
|
406
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
407
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
408
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
409
|
Cc1c(n(c(c1C#N)n2cccc2)CC3CC3)C
|
|
|
410
|
C1CCC(CC1)C#C[C@@]2(C3CCCCC3C(=O)C4C2CNCC4)O
|
|
|
411
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
412
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
413
|
c1ccc(cc1)C2(NCCCO2)c3ccccc3
|
|
|
414
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
|
415
|
c1ccc2c(c1)C(=N[C@@]3(N2C(=O)CC3)C(=O)Nc4nccs4)O
|
|
|
416
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
417
|
c1cc(cnc1)C#Cc2c3c(nccn3c(n2)C4CCC4)N
|
|
|
418
|
CSc1nnc(s1)CN2CCSc3c2cccc3
|
|
|
419
|
Cc1cn(c(n1)c2cccnc2)c3ccc(cc3)S(=O)(=O)C
|
|
|
420
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
|
421
|
C1CCC(CC1)C2=C3[C@@H](CC4C2CCCC4)CNC3=O
|
|
|
422
|
C1CCC(C(C1)C2CCCCC2C3=NC3)C4=NC4
|
|
|
423
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
424
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
425
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
|
426
|
c1ccc(cc1)n2c3=CNc4ccccc4N=c3[nH]c2=O
|
|
|
427
|
Cc1c(nccn1)c2ccnn2S(=O)(=O)c3ccccc3
|
|
|
428
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
|
429
|
CCOC1=N[C@@]2([C@@]1(SC3C2CCCC3)C)C4CCCCC4
|
|
|
430
|
CC1=N/C(=C/C=C(Oc3c2cccc3)c4cccs4)/C(=O)O1
|
|
|
431
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
432
|
CCCCN1c2cccnc2-c3c(cccn3)N(C1=O)CCCC
|
|
|
433
|
Cc1[nH]c(=O)c2c(n1)c3c(s2)NC(=O)C[C@@H]3c4ccccc4
|
|
|
434
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
|
435
|
Cc1c(n(c-2n/c(=[NH+]/c3ccccc3)/ncc2n1)c4ccccc4)C
|
|
|
436
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
437
|
CC1=Cc2c(c(c(c(c2C(C1)(C)C)c3ccccc3)C#N)N)C#N
|
|
|
438
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
439
|
Cc1c(c(nc(c1Cl)C)S(=O)(=O)NC2CC2)C#N
|
|
|
440
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
441
|
Cn1c(cc(c1c2ccsc2)c3ccsc3)c4cccs4
|
|
|
442
|
C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)CCC4=CC(=CC=C3C4)OC
|
|
|
443
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
444
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
445
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
446
|
c1ccc2c(c1)c(c3c(n2)CCC3)n4cccn4
|
|
|
447
|
c1cc(oc1)C2=NN3C(=N[C@H]4CCCC[C@H]4C35CCCCC5)N2
|
|
|
448
|
C1CCc2c(c3c(c([nH]c3s2)C#N)N)C1
|
|
|
449
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
|
450
|
CC1=Nc2cc3c(cc2N=C(C1)C)[nH]c(=O)[nH]3
|
|
|
451
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
452
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
|
453
|
C1CCC2C(C1)CCC3=C2N4CCC[C@@H]4O[C@@H]3C(F)(F)F
|
|
|
454
|
Cc1c2c(oc(c2c(=O)[nH]n1)NC(=O)Cn3ccnc3)C
|
|
|
455
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
|
456
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
457
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
458
|
CCOC(=O)c1c(cn2c1SCC2=O)c3ccc(cc3)F
|
|
|
459
|
COc1ccc(cc1)C2=Nc3ccccc3SCN2
|
|
|
460
|
CCOC(=O)C1=C(NC(=C2[C@@H]1c3ccccc3OC2=O)C)C
|
|
|
461
|
C[C@H]1CCCN(C1)C2=c3ccccc3=[NH+]/C(=C/C=CC=CC4=O)/N2
|
|
|
462
|
|
|
|
463
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
464
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
465
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
466
|
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
|
|
|
467
|
CC1=NC(=O)[C@@H]2C(=C1)/C(=Cc3ccc4c(c3)OCO4)/OC2=O
|
|
|
468
|
c1ccc(cc1)C[C@@H]2C3=C(CC=CC3)C(=O)N2Cc4ccccc4
|
|
|
469
|
c1ccc2c(c1)c(c3c(n2)C[C@@H]4CCCN3C4)C(=O)[O-]
|
|
|
470
|
COc1cc(c(s1)C(=O)OC)OC(=O)c2ccco2
|
|
|
471
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
472
|
CC(C)(C)c1cc(c2c([o+]1)-c3ccccc3OC2)c4ccccc4
|
|
|
473
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
474
|
C1CCC(CC1)C2=CC(=C[C@@](O2)(C3CCCCC3)O)C4CCCCC4
|
|
|
475
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
476
|
Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3cc[nH]n3
|
|
|
477
|
CC(=O)n1cc(c(n1)c2ccc(cc2)Cl)n3ccccc3=O
|
|
|
478
|
CC=NC2CCCCC2/C1=C/3C4CCCCC4C(=O)NN3
|
|
|
479
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
480
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
|
481
|
c1ccc(c(c1)c2nnc3n2N=C(CS3)c4ccc(cc4)F)O
|
|
|
482
|
CC1CCC2C3C1C(=O)[C@@H](C3=CCN2C(=O)C)C(=O)N
|
|
|
483
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
484
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
485
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
486
|
c1cc(oc1)c2nc(nc(=[N+]3CCOCC3)o2)N4CCOCC4
|
|
|
487
|
c1ccc(cc1)C2=Nc3ccccc3C(=O)OC2
|
|
|
488
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
489
|
c1ccc(cc1)c2c3c(csc3nnc2c4ccccc4)O
|
|
|
490
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
|
491
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
492
|
CCc1nnc(c2n1ccc2)N3CCC(CC3)C(=O)[O-]
|
|
|
493
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
494
|
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
|
|
|
495
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
496
|
Cc1ccn(n1)CC/N=C/[C@@H](C(=O)C2=O)NCCCOC
|
|
|
497
|
C1CCC(CC1)C2C(N3N(C2=O)[C@@H]4C[C@H]3C=C4)C5CCCCC5
|
|
|
498
|
c1ccc(c(c1)C(=O)O[C@@H]2Cn3c(nnn3)SC2)Cl
|
|
|
499
|
|
|
|
500
|
c1ccc(cc1)n2c3c(cn2)c(nnn3)[O-]
|
|
|
501
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
502
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
503
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
|
504
|
CSc1nnc(n1c2ccccc2)N3CCCCC3
|
|
|
505
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
|
506
|
|
|
|
507
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
508
|
Cc1c2cc(sc2nc3c1[nH]c(cc3=O)[O-])c4cccs4
|
|
|
509
|
|
|
|
510
|
CCOC(=O)[C@@H]1[C@@H]2[C@@H](C3CCCCC3O2)C4CC(CCC4N1)CL
|
|
|
511
|
|
|
|
512
|
CCCCc1c(c(=O)n2c(c(cnc2c1SC)C#N)N)C#N
|
|
|
513
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
514
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
515
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
516
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
517
|
|
|
|
518
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
519
|
|
|
|
520
|
CO[C@@]12CCC(=O)N1C=CC3C2[NH]C4C3CCCC4
|
|
|
521
|
COC(=O)Cc1c(c(=O)n(c(=O)o1)c2ccccc2)C(=O)OC
|
|
|
522
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
523
|
c1cc(ccc1C(=C2C=CC(=N)C=C2)c3ccc(cc3)N)N
|
|
|
524
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
525
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
526
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
527
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
528
|
Cc1cc(c(s1)C)c2c(oc(=O)o2)c3cc(sc3C)C
|
|
|
529
|
CC(C)c1cc(=O)[nH]c(n1)[C@@H]2CCCN2C(=O)CCOC
|
|
|
530
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
531
|
Cc1coc(=O)c2c1Sc3ccccc3N[C@@H]2c4ccccc4
|
|
|
532
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
533
|
C1CC(CCC1/C/2=C/C(=O)OC3CC(CCC3C[C@@H]2O)O)O
|
|
|
534
|
[H]/N=c/n(cc(s1)c2ccccc2)c3ccccc3C
|
|
|
535
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
|
536
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
537
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
538
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
|
539
|
C1CCC2C(C1)-C3CNCNC3N=C(N2)N4CCCCC4
|
|
|
540
|
Cc1nc(nn1c2[n-]cnn2)C(=O)[O-]
|
|
|
541
|
CCOC(=O)C1=C2[C@@H](c3ccccc3OC2=O)N(C(=O)C1)C
|
|
|
542
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
543
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
544
|
C[C@@H]1Cc2c(cc(n2C)c3nnc(n3c4ccccc4)SC)O1
|
|
|
545
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
546
|
c1ccc2c(c1)Nc3cc4=NS(=O)(=O)c5c4c(c3=[NH+]2)ccc5
|
|
|
547
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
548
|
c1ccc(cc1)c2ncnn2c3c(c4c(s3)CCCC4)C#N
|
|
|
549
|
CCn1cc(cn1)c2cncn2CCCC(C)(C)CO
|
|
|
550
|
CN1CCN(CC1)C2=Nc3cc(ccc3Cc4c2cccc4)F
|
|
|
551
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
|
552
|
CS(=O)(=O)c1ccc(c(c1)S(=O)(=O)C)n2cnc(n2)C#N
|
|
|
553
|
CCOC(=O)C1=C(NC(=O)c2c(ccc(c2OC)OC)[C@@H]1O)C
|
|
|
554
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
555
|
c1ccc(cc1)/C=c/2c3cccc4c3c(o2)ccc4
|
|
|
556
|
Cc1c2c(n(n1)c3ccccc3)-c4ccccc4S2(=O)=O
|
|
|
557
|
COC1CC2CCNC-3C2C(C1OC)-C4C3C(OC4)SC
|
|
|
558
|
CC1CC(N2C1[C@@H](CC2)O)C3(C(=O)C4CCCCC4C3=O)O
|
|
|
559
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
560
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
|
561
|
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
|
|
|
562
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
563
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
|
564
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
565
|
CC(=O)n1c2ccccc2c3c1oc(c3C(=O)OC)C(=O)OC
|
|
|
566
|
c1c2c(sc1Cn3cc(c(nc3=O)[O-])C#N)CCCC2
|
|
|
567
|
C1CCC(CC1)C2=CC3CCCN3-C4CCCCC4S2(=O)=O
|