(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
2
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
3
|
CC(=O)Nc1nc2ccc(cc2s1)c3nc4ccccc4o3
|
|
|
4
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
|
5
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
6
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
7
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
|
8
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
9
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
10
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3c(=O)ccc(n3)c4ccco4
|
|
|
11
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
12
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
13
|
|
|
|
14
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
15
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
16
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
17
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
18
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
19
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
20
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
21
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
22
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
23
|
CCn1c2ccccc2nc1c3cnn(n3)c4ccccc4
|
|
|
24
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
25
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
26
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
27
|
CC1(Cc2c(cc3c4c([nH]c(=O)[nH]4)sc3n2)CO1)C
|
|
|
28
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
29
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
30
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
31
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
32
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
33
|
CC1=CCC(=O)Nc2c1cnn2c3ccc(cc3)Cl
|
|
|
34
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
35
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
36
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
37
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
38
|
c1ccc(cc1)c2c(=O)cc3n(n2)c(=O)c4ccccc4s3
|
|
|
39
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
40
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
41
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
42
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
43
|
|
|
|
44
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
45
|
C1CCC2C(C1)CC3C(N2)-C4C(C5COCC5C(=O)N4C3)O
|
|
|
46
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
47
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
48
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
49
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
50
|
COC(=O)c1ccc(cc1)NC(=O)/C=c/2[nH]s[nH]c(=C)n2N
|
|
|
51
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
52
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
53
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
54
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
55
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
56
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
57
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
|
58
|
Cc1csc(n1)c2cn(c(=O)[nH]c2=O)C
|
|
|
59
|
Cc1ccc(cc1)N2Cc3cc(=O)n4c5ccccc5nc4c3=C2N
|
|
|
60
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
61
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
62
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
63
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
64
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
65
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
66
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
67
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
68
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
69
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
|
70
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
71
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
|
72
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
73
|
|
|
|
74
|
Cc1c(nc2n1-c3ccccc3C2)c4ccc(cc4)OC
|
|
|
75
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
|
76
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
77
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
78
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
79
|
Cc1c2c(oc(c2c(=O)[nH]n1)NC(=O)Cn3ccnc3)C
|
|
|
80
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
81
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
|
82
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
83
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
84
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
85
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
86
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
87
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
88
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
89
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
|
90
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
|
91
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
92
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
|
93
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
|
94
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
95
|
COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
|
|
|
96
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
97
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
98
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
99
|
c1ccc2c(c1)Nc3cc(ccc3S2)c4cc[nH]n4
|
|
|
100
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
101
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
102
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
103
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
104
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
105
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
106
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
107
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
108
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
109
|
|
|
|
110
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
111
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
112
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
113
|
CCOC(=O)Nc1cc2c(c(n1)N)N=C(CO2)c3ccccc3
|
|
|
114
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
115
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
116
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
117
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
118
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
119
|
Cc1c2c3c(cnc2sn1)c(n(n3)c4ccc(cc4)Cl)O
|
|
|
120
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
121
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
122
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
|
123
|
C1CCC(CC1)N2C(=O)N3N(C2=O)-C4CC5CCCCC5CC4C3
|
|
|
124
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
125
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
126
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
127
|
c1ccc2c(c1)-n3c(n[nH]c3=O)CS2
|
|
|
128
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
129
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
130
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
131
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
132
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
133
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
|
134
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
135
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
136
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
|
137
|
Cc1c(n(c(=O)n1c2ccccc2)C)NC(=O)NC3CCCC3
|
|
|
138
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
139
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
140
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
141
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
142
|
CC(C)[C@@]1(C(=NC(=N1)c2c(cc3ccccc3n2)C(=O)[O-])O)C
|
|
|
143
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
|
144
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
|
145
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
146
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
|
147
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
|
148
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
|
149
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
150
|
c1cc(ccc1OC=CNN/C2=C/3C=CC(=O)C=C3[O-])F
|
|
|
151
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
152
|
|
|
|
153
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
154
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
155
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
|
156
|
c1ccc(cc1)c2ccc(oc2=O)C(=O)c3ccccc3
|
|
|
157
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
158
|
COc1ccc(cc1)C2=NCC(=NC2)c3ccc(cc3)OC
|
|
|
159
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
160
|
c1cc(ccc1c2nc(cs2)SCC(=O)[O-])Cl
|
|
|
161
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
162
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
163
|
|
|
|
164
|
c1cc(oc1)/C=c/2c(=O)[nH]/c(=Cc3ccco3)/c(=O)[nH]2
|
|
|
165
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
166
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
167
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
168
|
CC1CC2N(N1)C(=O)C3CC4CCCCC4CC3O2
|
|
|
169
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
|
170
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
|
171
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
172
|
c1ccc(cc1)c2nc(on2)c3c(c4ccccc4s3)O
|
|
|
173
|
c1ccc(cc1)c2nn3c(nnc3s2)c4cc5ccccc5[nH]4
|
|
|
174
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
175
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
176
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
|
177
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
178
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
179
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
180
|
CC(=O)N1CCC(CC1)c2nc3c(c(n2)[O-])nccn3
|
|
|
181
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
182
|
|
|
|
183
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
184
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
185
|
c1cc(ccc1n2c(c3c(n2)[C@@H]4CCC[C@@H]4N=C3)[O-])Cl
|
|
|
186
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
187
|
CC(C)CN1N(O1)CCOC(=O)NC2CCCCC2
|
|
|
188
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
|
189
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
190
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
|
191
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
192
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
193
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
|
194
|
|
|
|
195
|
CC1(C(=O)CCC1=O)C/C=C/2CCC3C2CCC(C3)OC
|
|
|
196
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
197
|
C[C@@H]1CCC2C(C3C(=O)[NH]C(=O)[NH]C3OC2=O)C1
|
|
|
198
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
199
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
200
|
|
|
|
201
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
202
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
203
|
COc1cc(ccc1O)C#CC#CCN2CCCCC2
|
|
|
204
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
|
205
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
|
206
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
|
207
|
CCCCN1Cc2c(nc3cc(nn3c2[O-])C(C)(C)C)C1=O
|
|
|
208
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
209
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
210
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
211
|
CC(=O)OCC1C(C-2C([NH]C1=O)CCC3C2CCCC3)[O-]
|
|
|
212
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
|
213
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
214
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
215
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
216
|
CC1(Cc2c(cc3c(n2)Nc4ccccc4N=C3O)CO1)C
|
|
|
217
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
218
|
|
|
|
219
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
|
220
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
|
221
|
CCNc1nn2c(=O)cc(nc2s1)C
|
|
|
222
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
223
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
224
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
225
|
|
|
|
226
|
Cc1nc(c2c(n1)oc(n2)C)n3cc(c(=O)[nH]c3=O)F
|
|
|
227
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
228
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
|
229
|
c1cc(cnc1)c2cc([nH]n2)NC(=O)c3cnns3
|
|
|
230
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
231
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
232
|
COc1cccc(c1)C2=CCN(CC2)c3c(cccn3)C#N
|
|
|
233
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
234
|
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
|
|
|
235
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
236
|
Cc1ccc(cc1)N2C[C@@H]3Cc4ccccc4CN3C2
|
|
|
237
|
c1ccc2c(c1)nc3c(n2)SC4=NC(=O)CC(=O)N34
|
|
|
238
|
CSc1ccc(cc1)c2nc(on2)c3ccc[nH]c3=O
|
|
|
239
|
Cc1ncc(c(n1)N)CSc2nc(ns2)SC
|
|
|
240
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
|
241
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
242
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
243
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
244
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
245
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
|
246
|
|
|
|
247
|
c1cc(nn2c1ncc(c2=O)N)N3CCCC3
|
|
|
248
|
|
|
|
249
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
250
|
|
|
|
251
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
252
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
253
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
254
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
255
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
256
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
257
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
258
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
259
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
260
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
261
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
262
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
263
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
|
264
|
CC(C)(C)c1csc(n1)c2ccc(nc2)n3cncn3
|
|
|
265
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
266
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
267
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
268
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
269
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
|
270
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
271
|
CCN1CCc2c(c([nH]c(=O)c2C#N)[O-])C1
|
|
|
272
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
|
273
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
274
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
275
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
276
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
277
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
278
|
c1cc(oc1)c2cc3nc4c(c(n3n2)[O-])SCC4
|
|
|
279
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
280
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
|
281
|
CC(C)(C)c1cc2n(n1)C3=NCCN3C=N2
|
|
|
282
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
283
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
|
284
|
Cc1nc2ccccc2c3n1nc(n3)n4cnnn4
|
|
|
285
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
286
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
287
|
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
|
|
|
288
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
289
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
290
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
|
291
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
292
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
293
|
Cc1nc(cs1)c2nc(no2)c3ccc(cc3)CO
|
|
|
294
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
295
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
296
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
|
297
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
298
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
299
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
300
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
|
301
|
c1ccc(cc1)c2cn3c(n2)SCC(=O)N3
|
|
|
302
|
CCCCn1c(nnn1)NC(=O)N(C)Cc2nc(no2)CC
|
|
|
303
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
304
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
305
|
c1ccc2c(c1)c3c(=O)[nH]ncn3n2
|
|
|
306
|
c1ccc2c(c1)[nH]c(=O)n2c3nc4c(o3)cccn4
|
|
|
307
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
|
308
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
309
|
c1ccc(cc1)n2cc3c(n2)-c4ccccc4NC3
|
|
|
310
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
311
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
|
312
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
313
|
|
|
|
314
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
|
315
|
c1ccc2c(c1)nnn2C3=NCCCC3
|
|
|
316
|
c1ccn2c(c1)nn(c2=O)CCn3c(noc3=O)c4cccs4
|
|
|
317
|
|
|
|
318
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
319
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
|
320
|
CCOC(=O)[C@@H]1C=N[C@@H]2C=C3C(=CN2C1=O)CCCCN3C
|
|
|
321
|
[H]/N=C/1N[C@H](N/C(=N/c2ccc(cc2)Cl)/N1)c3ccc(cc3)OC
|
|
|
322
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
323
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
324
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
|
325
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
326
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
327
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
328
|
C1CCC2C(C1)C(=O)C3C(O2)CC4(CCCCC4)OC3=O
|
|
|
329
|
COC(=O)c1c2c3c(nsc3s1)SCC(=N2)O
|
|
|
330
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
331
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
332
|
CC(=C)[C@@H](C(=O)OC)N1C(=O)C(CS1)NCC2CCCCC2
|
|
|
333
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
334
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
|
335
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
|
336
|
c1ccc(cc1)N(CCC#N)c2c(c3ccccc3s2)Cl
|
|
|
337
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
338
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
339
|
c1ccc-2c(c1)Cc3c2ccc(c3)n4cccc4
|
|
|
340
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
341
|
c1ccc(cc1)n2cc3c(n2)Nc4ccccc4O3
|
|
|
342
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
343
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
344
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
|
345
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
|
346
|
COC(=O)Nc1cn2ccccc2n1
|
|
|
347
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
348
|
c1ccc(cc1)/C=C/C#Cc2ccccc2
|
|
|
349
|
c1ccc2c(c1)Cc3cnc4ccccc4c3N2
|
|
|
350
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
351
|
c1cc(cnc1)CCNCc2cscn2
|
|
|
352
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
353
|
|
|
|
354
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
|
355
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
356
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
357
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
|
358
|
c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
|
|
|
359
|
Cc1c(oc2c1c3nc(nn3cn2)c4cccnc4)C
|
|
|
360
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
361
|
|
|
|
362
|
CN1CC(CN1)NC(=O)CCN2CCOC2=O
|
|
|
363
|
Cc1cc(nc(n1)SC)n2ccc(=O)[nH]c2=O
|
|
|
364
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
365
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
366
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
367
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
|
368
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
369
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
370
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
371
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
372
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
|
373
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
|
374
|
c1ccc2c(c1)c3n(n2)C(=O)c4ccccc4C3=O
|
|
|
375
|
c1cc(cnc1)C#Cc2c3c(nccn3c(n2)C4CCC4)N
|
|
|
376
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
377
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
378
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
379
|
c1ccc(cc1)C2=Nc3ccccc3N[C@H]2C(=O)[O-]
|
|
|
380
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
381
|
CCc1c(nco1)C(=O)N[C@@H]2CC(=O)N(C2)CC(C)(C)C
|
|
|
382
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
383
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
|
384
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
385
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
386
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
387
|
Cn1c(nc(n1)n2c3ccccc3nn2)N
|
|
|
388
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
|
389
|
Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
|
|
|
390
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
|
391
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
392
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
|
393
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
394
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
395
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
|
396
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
397
|
CC1(CO[C@@]2([C@@H]1O)OC[C@@H](O2)COC3CCCCC3)C
|
|
|
398
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
399
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
400
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
401
|
COC(=O)c1c(c2c([nH]c1=O)scn2)[O-]
|
|
|
402
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
403
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
|
404
|
C[C@@H]1C(=C/C(=C/n2c3ccccc3nn2)/O1)c4ccccc4
|
|
|
405
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
406
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
407
|
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
|
|
|
408
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
409
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
410
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
411
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
412
|
CC[C@@]1(CN(CC=C1)C(=O)OC2CCCCC2)CC(=O)N(C)C
|
|
|
413
|
|
|
|
414
|
c1c(c(n2c(n1)ncn2)[O-])n3cncn3
|
|
|
415
|
c1ccc2c(c1)C(=C(CS2)C(=O)Nc3ccccn3)[O-]
|
|
|
416
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
|
417
|
C1CC(OC1)N2C(=O)C(C[NH]C2=O)F
|
|
|
418
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
419
|
Cc1c(cnc(n1)C2CC2)c3nc(sn3)Nc4ccccc4
|
|
|
420
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
|
421
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
422
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
423
|
c1ccc(cc1)n2c(c-3sc4ccccc4nc3c2=O)[O-]
|
|
|
424
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
|
425
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
426
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
427
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
|
428
|
C1CC(CCC1NC(=O)C2=C([C@@H]3C=C[C@H]2O3)C(=O)[O-])CL
|
|
|
429
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
|
430
|
c1ccc(cc1)c2cn3c(=O)c4ccccc4sc3c2C#N
|
|
|
431
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
432
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
433
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
|
434
|
c1ccc2c(c1)-c3cccnc3C2=O
|
|
|
435
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
436
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1CCC)c3cccs3
|
|
|
437
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
|
438
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
439
|
Cc1c(c[nH]n1)c2nc(no2)c3ccc(cc3)Cl
|
|
|
440
|
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
|
|
|
441
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
|
442
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
443
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
444
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
|
445
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
|
446
|
c1ccc(cc1)C(=O)Nc2cnc3n(c2=O)ncs3
|
|
|
447
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
448
|
c1ccc2c(c1)nnn2c3nc4ccccc4s3
|
|
|
449
|
Cn1cc(nn1)NC(=O)c2ccc(cc2)Cn3cccc3
|
|
|
450
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
451
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
452
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
453
|
c1ccc(cc1)c2cc([nH]c(=O)n2)c3ccccc3O
|
|
|
454
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(nnn3)N2)c4ccccc4
|
|
|
455
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
456
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
457
|
Cc1cc([nH]c(=O)c1C2=NCCN=C(C2)C(F)(F)F)C
|
|
|
458
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
|
459
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
|
460
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
|
461
|
|
|
|
462
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
463
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
464
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
465
|
c1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
|
|
|
466
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
467
|
c1ccc(cc1)n2cc3c(n2)C=C[C@@H]4[C@H]3[C@@H]5[C@H]4C6C=C[C@H]7C5[C@H]7C=C6
|
|
|
468
|
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
|
|
|
469
|
Cc1nc(no1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
470
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
471
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
472
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
|
473
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
474
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
|
475
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
|
476
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
477
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
|
478
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
|
479
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
|
480
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
481
|
Cc1c(non1)NCn2cnc3c2c(=O)n(c(=O)n3C)C
|
|
|
482
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
|
483
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
|
484
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
|
485
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
486
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
487
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
488
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
489
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
490
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
491
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
492
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
493
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
|
494
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
495
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
496
|
c1ccc2c(c1)nc(o2)C3=CNc4ccccc4N=C3
|
|
|
497
|
CC(C)(C)OC(=O)N1CCCCc2c1nccc2
|
|
|
498
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
499
|
c1ccc2c(c1)Nc3c(nns3)C(=O)N2
|
|
|
500
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
501
|
CC1(Cc2c(cc3c(n2)[nH]c(=O)[nH]3)CO1)C
|
|
|
502
|
Cc1ccc2c(c1)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[S@@](=O)N2
|
|
|
503
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
504
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
|
505
|
|
|
|
506
|
Cn1cnc2c1ccnc2C(=O)NCC(=O)[O-]
|
|
|
507
|
CC[C@@H]1Cn2c3c(cccc3S1)cc(c2=O)c4ccccc4
|
|
|
508
|
c1ccn2c(c1)n/c(=NC(=O)c3ccco3)/s2
|
|
|
509
|
CN1C2CCCCC2S(=O)(=O)N3C1NNC3CC4CCCCC4
|
|
|
510
|
Cc1cc(c(n1c2ccc(cc2)OC)C)C(=O)n3ccnc3
|
|
|
511
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
512
|
CC1CCCCC1NC(=C2C(=O)OC(OC2=O)(C)C)[O-]
|
|
|
513
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
|
514
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
515
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
516
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
|
517
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
518
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
519
|
c1ccc2c(c1)nnn2Cc3nc4ccccc4o3
|
|
|
520
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
|
521
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
522
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
523
|
Cc1ccc(cc1)N2Cc3ccccc3C=C2N
|
|
|
524
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
|
525
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
526
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
527
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
|
528
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
529
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
|
530
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
531
|
c1ccc(cc1)NC(=O)N/C=C/c2cccs2
|
|
|
532
|
COC(CNC1=Nc2c(cccn2)OC1)OC
|
|
|
533
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
534
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
535
|
c1cc(ccc1C#N)OC(=O)c2csnn2
|
|
|
536
|
CC1=C2C(=N[C@@H]1c3ccncc3)CCNC2=O
|
|
|
537
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
538
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
|
539
|
|
|
|
540
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
541
|
c1cc(cnc1)CNCCc2ccco2
|
|
|
542
|
CCOC(=O)N1CCN(CC1)C2NNC3NCCN3N2
|
|
|
543
|
c1ccc2c(c1)nc3c(n2)Sc4c(cccn4)O3
|
|
|
544
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
545
|
c1cc(ncc1C#N)NCc2nccs2
|
|
|
546
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
547
|
C[C@@H]1Nc2ccccc2-c3n1c4ccccc4n3
|
|
|
548
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
|
549
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
|
550
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
551
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
|
552
|
c1cc(ccc1C#N)C2=C[C@@H]3C=CSC3=N2
|
|
|
553
|
CC1(COC(=N1)/C=C/c2ccccc2)C
|
|
|
554
|
Cc1nc-2c(s1)Cc3c2ccc(c3)OC
|
|
|
555
|
c1ccc2c(c1)nn(n2)[C@@H](c3ccco3)C(=O)c4cccs4
|
|
|
556
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
|
557
|
CC1(Nc2c(nnc(n2)SCC(=O)[O-])-c3ccccc3O1)C
|
|
|
558
|
|
|
|
559
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
560
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
|
561
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
|
562
|
C1CCC(CC1)C2=CC[C@@]3(CC=C(N=C3N2)C4CCCCC4)C#N
|
|
|
563
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
564
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
565
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
|
566
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
|
567
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
|
568
|
Cn1c(c(c2c1nccc2)[O-])c3[nH]c(=O)c4ccccc4n3
|
|