(*) 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
|
|
|
|
3
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
4
|
CNC1=[NH+][C@@H](N(S1)c2ccccc2)c3ccccc3
|
|
|
5
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
6
|
|
|
|
7
|
CC1C2C(NC(NC2C([NH]1)C3CCCCC3)C)C
|
|
|
8
|
CN1c2ccccc2C3(C1=O)[NH+]=c4ccccc4=[NH+]3
|
|
|
9
|
CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
|
|
|
10
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
11
|
COc1ccc2c(cc(=O)oc2c1)c3c(c4ccccc4s3)O
|
|
|
12
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
13
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
14
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
15
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
16
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
17
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
18
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
19
|
c1ccc2c(c1)/C(=N/c3ccccn3)/C(=O)N2
|
|
|
20
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
|
21
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
22
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
23
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
24
|
c1ccc2c(c1)c3c([nH]2)C[C@@H]4[C@@H](C3)c5ccccc5NC4=O
|
|
|
25
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
26
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
27
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
28
|
C1CCC(CC1)C[S@@](=O)C2CCCCC2CN3CCCC3
|
|
|
29
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
30
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
31
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
32
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
33
|
Cn1c(ccn1)[C@@H]2C(=C(C(=O)O2)[O-])c3ccc4ccccc4n3
|
|
|
34
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
35
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
|
36
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
|
37
|
Cc1c(nc([nH]1)c2[nH]c(c(n2)C)C)C
|
|
|
38
|
CCC(=O)n1c2ccccc2c3c1Nc4ccccc4N3
|
|
|
39
|
CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
|
|
|
40
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
41
|
CO[C@@]12CCC(=O)N1C=CC3C2[NH]C4C3CCCC4
|
|
|
42
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
43
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
44
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
|
45
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
46
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
47
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
48
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
49
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
50
|
CS(=O)(=O)Nc1cccn2c1ncn2
|
|
|
51
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
52
|
Cc1ccc2c(c1)C[C@@H]3[C@@H](N2)C(=CN(C3=O)C)CO
|
|
|
53
|
CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
|
|
|
54
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
55
|
Cn1c(=O)c(nn(c1=O)c2ccc(cc2F)F)c3ccn[nH]3
|
|
|
56
|
c1ccc2c(c1)C(=Nc3cc(ccc3N2)Cl)Cl
|
|
|
57
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
58
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
59
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
60
|
CCS(=O)(=O)c1ccc(c(c1)n2c(c[nH]c2=O)O)OC
|
|
|
61
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
62
|
c1ccc2c(c1)ccc3c2c4c([nH]3)C5=C(COC=C5)OC4
|
|
|
63
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
64
|
c1ccnc(c1)Nc2nsc(=O)n2c3ccccn3
|
|
|
65
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
66
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
67
|
c1ccc2c(c1)c3c(c(=O)o2)C=Nc4ccccc4N3
|
|
|
68
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
69
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
70
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2c4ccccc4C=C3)C#N
|
|
|
71
|
COC(=O)c1c(sc(n1)N2CCCCC2)C(=O)c3ccco3
|
|
|
72
|
|
|
|
73
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
74
|
|
|
|
75
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(nnn3)N2)c4ccccc4
|
|
|
76
|
COc1ccc(cc1)/N=c/c3ccccc3[nH]c(=O)cn2
|
|
|
77
|
C1CCC2C(C1)C(=C3CC4=CC(=O)C=CC4=C3N2)CL
|
|
|
78
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
79
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
80
|
CC1(OC(=O)C(=c2c3cccc4c3c([nH]2)ccc4)C(=O)O1)C
|
|
|
81
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
|
82
|
CC(C)(C)c1cc(no1)n2c(=O)c3ccccc3[nH]c2=O
|
|
|
83
|
CC(=O)N[C@H]1c2nc(cn2[C@@H]([C@H]([C@@H]1O)O)CO)CC(=O)[O-]
|
|
|
84
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
85
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
86
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
|
87
|
Cc1c2c(c3ccccc3o2)c4c(n1)CC(CC(=O)N4)(C)C
|
|
|
88
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
89
|
C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCCCc4[n-]nnn4)C
|
|
|
90
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
91
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
92
|
CC1=NN(C(=O)C1)CCc2cccc(c2OC)OC
|
|
|
93
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
94
|
c1ccc2c(c1)c(c3ccccc3n2)Nn4cnnc4
|
|
|
95
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
96
|
c1cc(ncc1C#N)NCc2nccs2
|
|
|
97
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
98
|
c1ccnc(c1)[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2
|
|
|
99
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
|
100
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
101
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
|
102
|
COCCN1C2C(C(NC(N2)N)N)N=C3C1=CCCC3
|
|
|
103
|
c1ccc(cc1)CNc2cnccn2
|
|
|
104
|
Cc1c2c(cc(/c(=[NH+]/c3ccccc3)/o2)C(=O)N)c(cn1)CO
|
|
|
105
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
|
106
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
107
|
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
|
|
|
108
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
109
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
110
|
|
|
|
111
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
112
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
113
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
114
|
c1ccc2c(c1)OC[C@@H](O2)c3csc4c3c(=O)[nH]cn4
|
|
|
115
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
116
|
CCOC(=O)C1CN(C2C1C(=O)[C@@H](CC(=O)N2)C(=O)OCC)C
|
|
|
117
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
118
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
119
|
CC(C)(C)C1=CC(=O)/C(=c/2cccc3c2=NNN3)/C=C1
|
|
|
120
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
121
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
122
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
123
|
C[C@@]12C=CC=C[C@@H]1NC(=C3C(=O)c4ccccc4C3=O)C=C2
|
|
|
124
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
125
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
126
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
|
127
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
128
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
129
|
Cc1cnc(o1)CN2CCc3c2cccc3
|
|
|
130
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
131
|
c1ccc2c(c1)c3c([nH]2)cccc3O
|
|
|
132
|
CCOC(=O)c1c2c3ccccc3[nH]c2n4c1scc4C
|
|
|
133
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
134
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
135
|
COc1cc(cc(c1OC)Cl)/C=C/[C@@H](c3ccccc3O2)O
|
|
|
136
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
137
|
COC(=O)c1c2c3c(nsc3s1)SCC(=N2)O
|
|
|
138
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
139
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
140
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
|
141
|
c1ccc2c(c1)c(c[nH]2)c3c(=O)[nH]c4ccccc4n3
|
|
|
142
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
143
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
144
|
COC(=O)c1c(c(n2c1oc3c2cccc3)Cl)C(=O)OC
|
|
|
145
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
146
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
|
147
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
148
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
149
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
|
150
|
C1CCC(CC1)C2CC(O/C(=N/N3CNNC3)/C2)C4CCCCC4
|
|
|
151
|
CO[C@@H]1c2cccc3c2c(ccc3)[C@@H]1NS(=O)(=O)C
|
|
|
152
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
153
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
|
154
|
Cc1c2ccccc2nc-3c1CSc4c3cccc4F
|
|
|
155
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
156
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
157
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
158
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
159
|
c1ccc(cc1)c2cn-3c([nH+]2)CCc4c3c5c(cccn5)cc4
|
|
|
160
|
Cc1c-2c(oc1C(=O)[O-])CC(c3c2nc4ccccc4n3)(C)C
|
|
|
161
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
|
162
|
c1ccc-2c(c1)CCc3c2nnn3c4ccc(cc4)Br
|
|
|
163
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
164
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
|
165
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
166
|
Cc1cc-2n(n1)C(C(=O)Nc3c2cc(cc3)Cl)(C)C
|
|
|
167
|
Cc1cccc2c1nc3c(c2)C=Nc4ccccc4S3
|
|
|
168
|
CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
|
|
|
169
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
|
170
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
|
171
|
[H]/N=c/n(c2c(s1)CCCC2)CC(=O)c3ccccc3
|
|
|
172
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
173
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
174
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
175
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
176
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
177
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
|
178
|
c1ccc2c(c1)c3c(o2)c(c4c(n3)CCS4)c5ccco5
|
|
|
179
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
180
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
|
181
|
CCNc2ccccc2S/C1=Cc3nc4ccccc4s3
|
|
|
182
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
|
183
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
184
|
CN1CCc2c1cc(c3c2N(CC3)C)c4ccco4
|
|
|
185
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
186
|
Cc1c-2nc(c(=O)cc2n(n1C)c3ccccc3)c4ccccc4
|
|
|
187
|
CCn1c(nnc1SC)c2c(=O)ccn(n2)c3ccccc3
|
|
|
188
|
CCN(CC)c1ccc2cc3c([o+]c2c1)CCCCC3
|
|
|
189
|
CC1(CC2(C3=C(O1)C(=O)OC3)Nc4ccccc4N2)C
|
|
|
190
|
c1ccc2cc3c(cc2c1)NC=C4C(=NC(=O)S4)[N-]3
|
|
|
191
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
192
|
CC1(NC(=O)[C@@H](O1)/C=C/C2CCCCC2)C
|
|
|
193
|
CNc2cc[nH+]cc2N/C1=C/3C=Nc4c3cccc4
|
|
|
194
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
195
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
196
|
Cc1cc(n(n1)c2ccccn2)Nc3c(=O)[nH]c4ccccc4n3
|
|
|
197
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
198
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
199
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
|
200
|
[H]/N=c/n2c3ccccc3[nH]c(=O)c2c(s1)c4ccccc4
|
|
|
201
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
202
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
203
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
|
204
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
205
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
206
|
c1cc2c(cc1F)cc(c(=O)o2)c3csnn3
|
|
|
207
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
208
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
209
|
c1cc2c(cc1c3nccs3)CC=C2
|
|
|
210
|
COC1=C[C@@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1O)OCO5
|
|
|
211
|
CNc1c2c(c3c(n1)oc(n3)c4ccccc4)n(cn2)C
|
|
|
212
|
CCOc1nnc(s1)Cn2c(=O)c(c(c(n2)C)C)C#N
|
|
|
213
|
c1ccc(c(c1)C(=O)[O-])S[C@@H]2CCC(=O)N2
|
|
|
214
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
215
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
216
|
CCOC(=O)c1c([nH]n2c1nnc2C(F)F)C(F)(F)F
|
|
|
217
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
|
218
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
219
|
C[C@H]1CCCN(C1)C2=c3ccccc3=[NH+]/C(=C/C=CC=CC4=O)/N2
|
|
|
220
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
221
|
c1ccc2c(c1)c3c(nn2)nn4c(=O)cc(nc4n3)C(F)(F)F
|
|
|
222
|
Cc1c(c(on1)C)/C=C/c2c(=O)[nH]c3ccccc3n2
|
|
|
223
|
Cc1c(c([nH]c1C)/C=C/C(=C(C=N2)C)C)C
|
|
|
224
|
CC1=C2C=CC=C[C@@H]2c3nc4ccc(cc4n3N1)Cl
|
|
|
225
|
Cc1cc-2n(n1)[C@@H](Nc3c2cccc3)c4cccnc4
|
|
|
226
|
c1ccn(c1)c2c(c(c(o2)c3cccs3)C#N)c4cccs4
|
|
|
227
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
|
228
|
c1ccc2c(c1)C[C@@]3(c4ccccc4C=C3NC2=O)O
|
|
|
229
|
CCN1CC(=O)N=C1NCCc2cccc(c2)Cl
|
|
|
230
|
C1Cc2c(onc2c3c4c(on3)CCC4)C1
|
|
|
231
|
c1ccc2c(c1)c3c([nH]2)-c4ccccc4OCC3
|
|
|
232
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
233
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
234
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
235
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
236
|
COC(=O)c1c(c2c([nH]1)c3ccccc3n4c2nnn4)N
|
|
|
237
|
CC1=CC(=C2C=CC(=[O+]C)C=C2)C=C(S1)c3ccccc3
|
|
|
238
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
|
239
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
240
|
c1cc2c(cc1C3=CNC(=O)CO3)cc([nH]2)c4ccncc4
|
|
|
241
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
242
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]c3=O
|
|
|
243
|
c1ccnc(c1)/C=C/c2ccco2
|
|
|
244
|
CCOC1NC(=O)N(S1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
245
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3)[NH+]=C4N2NN=N4
|
|
|
246
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
|
247
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
|
248
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
249
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
|
250
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
251
|
c1ccc(cc1)CN2C=N[C@@H]3[C@@H]2N=C(N=C3N)Cl
|
|
|
252
|
c1ccc(cc1)N(CCC#N)c2c(c3ccccc3s2)Cl
|
|
|
253
|
c1ccc(cc1)C2=C[C@@H](N3C(=[NH+]2)N=NN3)c4ccco4
|
|
|
254
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
255
|
c1ccc2c(c1)C(=O)O/C(=C/C=CC=CC3=[NH2+])/N2
|
|
|
256
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
|
257
|
Cc1cc(nc2c1c3c(o2)C(=O)N(CC(=O)N3)c4ccccc4)C
|
|
|
258
|
Cc1ccccc1NC2=NC(=[NH+]C(N2)(C)C)N
|
|
|
259
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
260
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
|
261
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
262
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
|
263
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
264
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
265
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
266
|
Cc1ccccc1SCCN2CCOC2=O
|
|
|
267
|
Cc1ccc2c(c1)oc(n2)c3ccc(cc3)O
|
|
|
268
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
|
269
|
Cc1csc(=O)n1CC(=O)ncccc/c2=NC(C)C
|
|
|
270
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
271
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
272
|
c1cc(oc1)c2c(c(oc2c3ccco3)N)C#N
|
|
|
273
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
274
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
275
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
|
276
|
C/C=C/1C(=O)[NH]/C(=C/C2CCCCC2)/C(=O)[NH]1
|
|
|
277
|
CC1=C(C[C@@]2(C(=C(C1)C(=O)OC)CCC2=O)C)C
|
|
|
278
|
CN1C(=NC(=O)C12COC(OC2)c3cccnc3)N
|
|
|
279
|
C[C@@]1(C(OC(=O)N1CCc2ccco2)(C)C)O
|
|
|
280
|
CC(=O)c1c-2n(n(c1=O)c3ccccc3)C(=O)c4c2nccn4
|
|
|
281
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
282
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
283
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
284
|
CCc1ccccc1C(=O)c2ccccc2
|
|
|
285
|
c1ccc(cc1)[C@@H]2Nc3c(cnn3c4ccccc4)C(=O)N2
|
|
|
286
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
|
287
|
CC1CC2N(N1)C(=O)C3CC4CCCCC4CC3O2
|
|
|
288
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
|
289
|
COC1CC2C(CC1OC)-C3CCCC4C3N(CC4)CC2
|
|
|
290
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
291
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
292
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
293
|
C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)CCC4=CC(=CC=C3C4)OC
|
|
|
294
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
|
295
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
296
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
297
|
C1CCC(CC1)NN2CNC3C2C4CCCCC4CC3
|
|
|
298
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
299
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
|
300
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
301
|
CC(C)(C)c1cc(c(s1)C(=O)OC)CSc2ccccn2
|
|
|
302
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
303
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
304
|
Cc1c(c(no1)c2ccccc2)c3ccn[nH]3
|
|
|
305
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
|
306
|
c1ccc2c(c1)c(c[nH]2)/C=N/c3nccs3
|
|
|
307
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
308
|
Cn1c(cnc1c2cc(=O)c3ccccc3o2)Cl
|
|
|
309
|
COc1ccccc1C/C=C/c2cccs2
|
|
|
310
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
311
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
312
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
|
313
|
C1CCC2C(C1)C3C([NH]2)C(=O)C(CS3)C#N
|
|
|
314
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
315
|
c1ccc2c(c1)nc3c(n2)SC4=NC(=O)CC(=O)N34
|
|
|
316
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
317
|
c1cc([nH]c1)c2nnc(nn2)c3ccc[nH]3
|
|
|
318
|
Cc1cnc(s1)NC(=O)c2c(nsc2NC)C
|
|
|
319
|
|
|
|
320
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
|
321
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
322
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
323
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
324
|
CCOC(=O)N1CN(Cc2c1oc3ccccc3c2=O)CCO
|
|
|
325
|
Cc1c2c(cc([o+]1)c3ccccc3)CCC2
|
|
|
326
|
c1ccc(cc1)C2=CC=C(C2)c3ccccc3
|
|
|
327
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
328
|
|
|
|
329
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
330
|
CC1(CC2=C[C@@H]3C[C@]2([C@@H]4[C@@H]3CC5=C4CC(OC5=O)(C)C)C(=O)O1)C
|
|
|
331
|
CN1C(=O)[NH]N(C1=O)[C@@H]2CN3C(=O)N(C(=O)N3-C4C2CCCC4)C
|
|
|
332
|
c1ccc2c(c1)nc3=c4ccc(cc4=c3n2)Cl
|
|
|
333
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
334
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
335
|
Cc1cc(=O)c(c(o1)Nc2ccccc2)C(=O)C
|
|
|
336
|
Cc1ccc(cc1)N2Cc3ccccc3C=C2N
|
|
|
337
|
Cc1cc(c(c(=O)o1)c2ccn[nH]2)[O-]
|
|
|
338
|
COC(=O)c1c2cccc3c2c(o1)-c4ccccc4C3=O
|
|
|
339
|
C1CCC(CC1)C2=N[C@@H]3C4CCCCC4[C@H]2O3
|
|
|
340
|
c1ccc(cc1)C(=O)Nc2cnc3n(c2=O)ncs3
|
|
|
341
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
342
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
343
|
CC1C(=O)C(C2CCCCN2N1)C3CCCCC3
|
|
|
344
|
c1ccc(cc1)/C=c/2c3cccc4c3c(o2)ccc4
|
|
|
345
|
C1CCC2C(C1)CC3C(N2)-C4C(C5COCC5C(=O)N4C3)O
|
|
|
346
|
Cc1c(c(on1)C)C(=O)n2cc3c(n2)-c4cc(ccc4SC3)F
|
|
|
347
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
348
|
c1ccc2c(c1)cccc2[C@H]3C(=O)c4ccsc4O3
|
|
|
349
|
CCOC(=O)c1c([nH]c(=O)s1)c2ccco2
|
|
|
350
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
|
351
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
352
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
353
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
|
354
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
355
|
CCOC(=O)c1nn(c2n1c(=O)c(nn2)C)c3ccccc3
|
|
|
356
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
357
|
CN1C(=O)C2C([NH]C1=O)S(=O)(=O)C3CCCCC3C2
|
|
|
358
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
359
|
c1ccc(cc1)S(=O)(=O)N2C=Cc3ccccc3[C@@H]2C#N
|
|
|
360
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
|
361
|
Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O
|
|
|
362
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
|
363
|
c1ccc(cc1)C2=Nc3ccccc3C(=O)OC2
|
|
|
364
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
365
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
|
366
|
C1CCC2C(C1)C3=NC4CCNCC4CN3C2=O
|
|
|
367
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)no2
|
|
|
368
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
369
|
CC(=O)Nc1ccc(c2c1n(cn2)C(=O)C)OC(=O)C
|
|
|
370
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
|
371
|
CCO[C@@H]1C=C(Oc2c1cccc2)c3ccc(cc3)F
|
|
|
372
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
373
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
374
|
CC1C(NC2C(N1)C(NNC2C3CCCCC3)C4CCCCC4)C
|
|
|
375
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
376
|
c1ccc(cc1)c2c3c(c(nn2)c4ccccc4)non3
|
|
|
377
|
COc1ccc(cc1)n2c(=O)c(c3c(n2)NC(=O)C3)C#N
|
|
|
378
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
379
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
380
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
|
381
|
c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
|
|
|
382
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
383
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2C=CC=C3)C#N
|
|
|
384
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
385
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
386
|
c1ccc2c(c1)C(=O)[C@@]3([C@@]2(OC(=C3C(=O)[O-])CO)O)O
|
|
|
387
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
|
388
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
389
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
390
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
|
391
|
C1CCC2C(C1)C3C([NH]2)C(=O)CCS3
|
|
|
392
|
c1ccc2c(c1)N=C(C[C@@H](S2)c3cccs3)c4ccco4
|
|
|
393
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
394
|
Cc1csc2n1c-3nc4ccccc4c3nn2
|
|
|
395
|
CS(=O)(=O)N[C@@H]1CCc2c1cccc2
|
|
|
396
|
Cc1cc(no1)CSc2nncs2
|
|
|
397
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
398
|
|
|
|
399
|
c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
|
|
|
400
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
401
|
|
|
|
402
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
403
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
404
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
|
405
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
406
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
407
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
408
|
CCOC(=O)Cn1c(c(nn1)C(=O)c2ccco2)c3ccccc3
|
|
|
409
|
|
|
|
410
|
CCC1=Cn2c3ccccc3c4c2c(ccc4)C1
|
|
|
411
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
412
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
413
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
414
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
415
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
416
|
C[C@@H](Cn1cc(cn1)Cl)c2cc(=O)[nH]c(n2)NC(C)C
|
|
|
417
|
|
|
|
418
|
CC1C2C(C(CN1)CO)C=C3CCCC=C3O2
|
|
|
419
|
CCOC1=C[C@@H](Oc2c1cccc2)c3ccc(cc3)F
|
|
|
420
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
|
421
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
422
|
c1ccc(cc1)n2cc(nc2)NC(=O)n3ccccc3=O
|
|
|
423
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
424
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
425
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
|
426
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
427
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
428
|
C1CCC2C(C1)NC3N2C(NS3)N4CCNC4
|
|
|
429
|
COC(=O)/C=c/1c(=O)n2c(=Nc3ccccc3CC2)s1
|
|
|
430
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
431
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
|
432
|
|
|
|
433
|
Cc1c(sc(c1c2ccno2)SC)C#N
|
|
|
434
|
c1ccc2c(c1)-c3c(cn[nH]3)CC(=O)N2
|
|
|
435
|
CC1(Cc2c(cc3c(n2)Nc4ccccc4N=C3O)CO1)C
|
|
|
436
|
COC1CCCC2C1OC(=C(C2)C(=O)N)NC3CCCCC3
|
|
|
437
|
C1CC(OC1)C2C3C(CNNC3OC2C4CCCO4)N
|
|
|
438
|
CCOC(=O)/C=C/1C2NNNN2-C3CCCCC3N1
|
|
|
439
|
c1ccc2c(c1)C(=O)[C@@H]3CCN4[C@H]3N2C(=O)c5c4cccc5
|
|
|
440
|
c1ccc(cc1)c2cc(c(o2)c3ccccc3)c4[nH]ccn4
|
|
|
441
|
CCN1CNNC1C2C3CCCCC3SN2
|
|
|
442
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
443
|
c1cc2c(cc1Cl)-c3c(c[nH]n3)CS2
|
|
|
444
|
Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O
|
|
|
445
|
c1ccc2c(c1)nnn2n3c4ccccc4nn3
|
|
|
446
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
447
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
|
448
|
c1ccc2c(c1)nc(o2)n3c4ccccc4oc3=O
|
|
|
449
|
|
|
|
450
|
c1ccc(cc1)[C@@H]2CNC(=O)N2
|
|
|
451
|
CCN1CCN=C2C3CC(CCC3N4CNC5C4C2C1CC5)OC
|
|
|
452
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
453
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
454
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
455
|
CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
|
|
|
456
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
|
457
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
458
|
CCOC(=O)C1=C(NC(=O)N[C@@H]1C)c2cccs2
|
|
|
459
|
C1CCC(CC1)N2C3CCCCC3S(=O)(=O)N4C2NCC4
|
|
|
460
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
461
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
462
|
c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2
|
|
|
463
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
464
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
|
465
|
Cc1ccc(c2c1cc3c(n2)OCC(=O)N(C3)C4CC4)C
|
|
|
466
|
c1ccc(cc1)c2c3ccsc3nc4c2COCC4
|
|
|
467
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
|
468
|
CCOC(=O)C1=NC2=CCn3ccnc3C2=C1
|
|
|
469
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
470
|
c1ccc2c(c1)-c3ccccc3C45C2(NC(=O)N4)NC(=O)N5
|
|
|
471
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
|
472
|
Cc1cnc(o1)COc2ccccc2
|
|
|
473
|
c1ccc2c(c1)C=C(CO2)c3nnc(o3)c4cccnc4
|
|
|
474
|
CC1(Cc2c(oc3c2c(ncn3)N)CO1)C
|
|
|
475
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
|
476
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
|
477
|
c1ccc(cc1)S[C@@H]2CCc3c2cccc3
|
|
|
478
|
c1ccc2c(c1)CCN2c3nc4ccccc4o3
|
|
|
479
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
|
480
|
CC(=O)NC1=C(c2ccccc2C1)C3=Cc4ccccc4C3
|
|
|
481
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
482
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
483
|
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
|
|
|
484
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
485
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
486
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
|
487
|
c1cc(oc1)CNc2nccs2
|
|
|
488
|
c1ccc2c(c1)c3c(c(no3)N)c(=O)[nH]2
|
|
|
489
|
|
|
|
490
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
|
491
|
c1ccc2c(c1)-c3nc4ccccc4n3[C@H](N2)c5ccco5
|
|
|
492
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
|
493
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
|
494
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4CC3)NC(=O)N2
|
|
|
495
|
C1CCC(CC1)[C@@H]/2CC3CCCCC3C(=O)O/C=C2
|
|
|
496
|
|
|
|
497
|
Cc1cc2c(c(n1)C)c(=O)[nH]n2C(=O)C
|
|
|
498
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
|
499
|
Cc1c(c(no1)/C=C/c2ccc(cc2)F)N
|
|
|
500
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
501
|
CCC(=O)OC1=C[C@@H]2[C@@H](C=C1)N(C(=C2C(=O)OCC)C)C
|
|
|
502
|
Cc1c2c(n(n1)c3ccccc3)N[C@@H](C=C2C)C
|
|
|
503
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
|
504
|
CC(=O)N[C@@H]1CCC=C1C2=CCC[C@H]2NC(=O)C
|
|
|
505
|
Cc1ccc(cc1)NC(=O)[C@@H]2CC(=O)n3cnnc3N2
|
|
|
506
|
Cc1cc2c(o1)-c3c4cc(ccc4oc3CC[C@@H]2C)Cl
|
|
|
507
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
508
|
c1cc2c(cc1C(F)(F)F)ncc3c2sc4nncn4c3=O
|
|
|
509
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
510
|
C[C@@H]1CC2=C(C=Nc3ccccc3N2)C(=O)C1
|
|
|
511
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
|
512
|
CC1=N[C@@H](C(=N[C@@H](C1)c2ccc(cc2)Cl)C#N)C#N
|
|
|
513
|
c1ccc2c(c1)[nH]c(=O)c(n2)n3ccnc3
|
|
|
514
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
515
|
CCCCn1c(c(c2c1ncn(c2=[NH2+])c3nccs3)C)C
|
|
|
516
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
|
517
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
518
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
|
519
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
520
|
|
|
|
521
|
c1ccc2c(c1)nnn2c3nc4ccccc4s3
|
|
|
522
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
523
|
Cn1ccnc1COc2ccc(cc2)N
|
|
|
524
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
525
|
C[C@@H]1C(=O)N=C(N1c2nc(nc(n2)OC)NC(C)C)N
|
|
|
526
|
CC1(C=C(NC(=O)N1)/C=C/c2ccccc2)C
|
|
|
527
|
CCOc1ccccc1N[C@@]2(CSc3n2c(=O)cc(n3)C)O
|
|
|
528
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
529
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
530
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
531
|
c1cc(sc1)CSc2ccc(cc2)O
|
|
|
532
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
533
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(s3)Br
|
|
|
534
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
535
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
536
|
CCCCN1[C@@H](c2ccccc2C1=O)Sc3ccc(cc3)F
|
|
|
537
|
Cc1ccc(cc1)n2c3c[nH]c(=O)nc3cn2
|
|
|
538
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
539
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
|
540
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
541
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
542
|
c1ccc(cc1)c2ccn3c(c2)ncc3c4cnsc4
|
|
|
543
|
c1cc(ccc1c2cc(n(n2)C(=O)c3c(n[n-]n3)Cl)N)Cl
|
|
|
544
|
c1ccc(cc1)n2cc3c(n2)-c4ccccc4NC3
|
|
|
545
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
546
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
547
|
c1ccc(cc1)COn2cc(cn2)I
|
|
|
548
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
549
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
|
550
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
|
551
|
C1CCC(CC1)C2C3C4C(CCCN4C(=O)N2)CCC3
|
|
|
552
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
553
|
c1ccc2c(c1)Oc3c(c(nc(c3F)F)F)O2
|
|
|
554
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
555
|
Cc1cnc(o1)CSc2ccccc2
|
|
|
556
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
557
|
C1CCC(CC1)C2NCC3N2NCN3C4CCCCC4
|
|
|
558
|
c1ccc2c(c1)CN(C(=C2)N)C3CCCCC3
|
|
|
559
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
560
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
|
561
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
562
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
563
|
c1ccc2c(c1)-c3ccccc3C24CNC(=O)O4
|
|
|
564
|
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
|
|
|
565
|
CCSc1nnc(o1)c2c(nc3n2ccs3)C
|
|
|
566
|
CC(=O)C(=C1Nc2ccccc2N1)C#N
|
|
|
567
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
568
|
Cc1ccc(cc1)N2C[C@@H]3Cc4ccccc4CN3C2
|