(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
2
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
3
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
4
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
5
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
6
|
C1CCC(CC1)NC(=O)NC2=CC=CN=CO2
|
|
7
|
C[C@@H]1C(=C/C(=C/n2c3ccccc3nn2)/O1)c4ccccc4
|
|
8
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
9
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
10
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
11
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
12
|
Cc1c(=O)[nH]c(nn1)n2c(=O)ccc(n2)[O-]
|
|
13
|
Cc1cc([nH]n1)NC(=O)c2cccc(c2)Cl
|
|
14
|
c1ccc(cc1)C(=O)NC2=NC(=O)[C@@H]3C(=N2)[N-]C=N3
|
|
15
|
c1cc(oc1)C(=O)Nc2nc(co2)C(=O)[O-]
|
|
16
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
17
|
c1ccc(cc1)NC(=O)N[C@@H]2[C@@H](N=NS2)C(=O)[O-]
|
|
18
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
19
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
20
|
c1ccc(cc1)NC(=O)N/C=C/c2cccs2
|
|
21
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
22
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
23
|
c1ccc(cc1)C(=O)Nc2nc3ccsc3s2
|
|
24
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
25
|
CCNC(=O)Oc1c2ccccc2on1
|
|
26
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
27
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
28
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
29
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
30
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
31
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
32
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
33
|
|
|
34
|
|
|
35
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
36
|
c1ccc(cc1)NC(=O)Nc2ccno2
|
|
37
|
c1ccc(cc1)/C=C/c2ccncn2
|
|
38
|
c1ccc2c(c1)nnn2Cc3nc4ccccc4o3
|
|
39
|
c1ccc(cc1)NC(=O)Nc2nc[nH]n2
|
|
40
|
CNCC(=N/C1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
41
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
42
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
43
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
44
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
45
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
46
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
47
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
48
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
49
|
c1ccc2c(c1)nc(s2)NC3=N/C(=CC(=O)[O-])/C(=N3)[O-]
|
|
50
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
51
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
52
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
53
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
54
|
Cc1nc(sn1)c2ccc(nn2)OC
|
|
55
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
56
|
COc1ccccc1O[C@@H]2C(=O)NC(=NC2=O)c3ncccn3
|
|
57
|
Cc1c(snn1)c2[nH]c3ccccc3n2
|
|
58
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
59
|
Cc1nc(cs1)c2nc(no2)c3ccc(cc3)CO
|
|
60
|
|
|
61
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
62
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
63
|
c1ccc2c(c1)nc(o2)c3ccco3
|
|
64
|
Cc1c(c(no1)/C=C/c2ccc(cc2)F)N
|
|
65
|
C1CC(NNC1)/C=C/C2CCCO2
|
|
66
|
Cc1nc(on1)NC(=O)c2ccccc2
|
|
67
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
68
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
69
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
70
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
71
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
72
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
73
|
Cc1cnc(o1)COc2ccccc2
|
|
74
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
75
|
c1ccc2c(c1)nnn2c3nc4ccccc4s3
|
|
76
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
77
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
78
|
c1ccc2c(c1)nc(o2)n3cnc(n3)C#N
|
|
79
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
80
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
81
|
Cn1ccnc1COc2ccc(cc2)N
|
|
82
|
c1ccc(cc1)[C@@H]2C=CNC(=N2)Nc3nc4ccccc4o3
|
|
83
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
84
|
c1ccc2c(c1)[nH]c(n2)n3cnnc3
|
|
85
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
86
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
87
|
CC1C(OC(N1)NC(=O)N(C)C2CC2)C
|
|
88
|
c1ccc(cc1)COn2cc(cn2)I
|
|
89
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
90
|
Cc1ccc(cc1)S(=O)(=O)Oc2nc(cc(n2)C)C
|
|
91
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
92
|
CC(=O)OCc1c2n(nn1)CCC2
|
|
93
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
94
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
95
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
96
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
97
|
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2N(C1=O)CCCO2
|
|
98
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
99
|
CCc1cnc([nH]1)NC(=O)OC(C)(C)C
|
|
100
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
101
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
102
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
103
|
C[C@@]1(COC(=N1)COc2ccccc2)CO
|
|
104
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
105
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
106
|
Cc1nc(cs1)Cn2c(=O)oc(n2)c3ccc(cc3)F
|
|
107
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
108
|
CCOC(=O)Nc1nc2ccn(c2s1)C
|
|
109
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
110
|
|
|
111
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
112
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
113
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
114
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
115
|
C1CCC(CC1)NSC2CCCCC2
|
|
116
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
117
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
118
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
119
|
|
|
120
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
121
|
Cc1cnc(s1)NC(=O)c2c(nsc2NC)C
|
|
122
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
123
|
c1ccnc(c1)/C=C/c2ccco2
|
|
124
|
c1cnc(cn1)NC2=NCCN2
|
|
125
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
126
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
127
|
CC1NNC(O1)NC(=O)C2CCC(CC2)C#N
|
|
128
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
129
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
130
|
c1ccc(cc1)/C=C/c2[nH]ccn2
|
|
131
|
c1ccc(cc1)CNc2cnccn2
|
|
132
|
|
|
133
|
c1ccc(cc1)CNc2ncco2
|
|
134
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
135
|
C1CCC(CC1)C(=O)NN2CCNN2
|
|
136
|
COc1nc(nc(n1)OC)Nc2nccs2
|
|
137
|
c1ccc2c(c1)nn(n2)c3cc(n[nH]3)O
|
|
138
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
139
|
c1ccc2c(c1)nc(o2)C3=CNc4ccccc4N=C3
|
|
140
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
141
|
CN(C)C(=O)N=c1[nH]c2ccccc2[nH]1
|
|
142
|
Cc1cc(ncn1)Nc2ccccc2
|
|
143
|
CC(=O)Nc1c2c(no1)CCC2
|
|
144
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
145
|
CC1(COC(=N1)/C=C/c2ccccc2)C
|
|
146
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
147
|
c1cc(oc1)/C=C/c2nn3cnnc3s2
|
|
148
|
c1ccc(cc1)n2cc3c(n2)Nc4ccccc4O3
|
|
149
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
150
|
c1ccnc(c1)C#CC2=CCCC2
|
|
151
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
152
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
153
|
Cc1ccc(nc1)n2cnnn2
|
|
154
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
155
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
156
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
157
|
|
|
158
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
159
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
160
|
CCOC(=O)NC1[NH]N(C(=O)N1)C2CCCCN2
|
|
161
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
162
|
Cc1ccc(cc1)NC(=O)[C@@H]2CC(=O)n3cnnc3N2
|
|
163
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
164
|
c1ccnc(c1)NC(=O)Nc2cccc3c2-c4cccn4C3=O
|
|
165
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
166
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
167
|
CN1CC(CN1)NC(=O)CCN2CCOC2=O
|
|
168
|
Cc1cc(no1)n2cnc(n2)c3cnoc3C
|
|
169
|
Cc1nnc(s1)NC2=NCCO2
|
|
170
|
c1ccc(cc1)Nc2ccccn2
|
|
171
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
172
|
|
|
173
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
174
|
c1ccc(cc1)COC2=CCCCC2
|
|
175
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
176
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
177
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
178
|
|
|
179
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
180
|
COc1ccc(cc1)/C=C/c2nc3c(o2)C=CCC3
|
|
181
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
182
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
183
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
184
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
185
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
186
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
187
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
188
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
189
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
190
|
Cc1nnc(o1)C(=O)Nc2ccccc2
|
|
191
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
192
|
|
|
193
|
Cnccs/c1=NC(=O)Nc2ccccc2
|
|
194
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
195
|
CCSc1nnc(s1)/N=C(/C2CCC2)[O-]
|
|
196
|
c1ccc(cc1)n2cc(nc2)NC(=O)n3ccccc3=O
|
|
197
|
c1ccc2c(c1)nc(o2)c3c[nH]nc3
|
|
198
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
199
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
200
|
c1cc(ccc1NC(=O)c2cc(=O)[nH+]c(s2)N)F
|
|
201
|
C1CCC(CC1)C2NC3CCCCN3N2
|
|
202
|
c1ccc2c(c1)CCN2c3nc4ccccc4o3
|
|
203
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
204
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
205
|
c1ccc(cc1)NC(=O)/C=c/c(nc3n2ncn3)O
|
|
206
|
CN(C)C(=O)NCCN1CCCCCc2c1cccc2
|
|
207
|
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
|
|
208
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
209
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
210
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
211
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
212
|
Cc1c(cco1)c2nc3ccccc3s2
|
|
213
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
214
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
215
|
Cc1cnc(o1)CN2CCc3c2cccc3
|
|
216
|
c1cc(sc1)CCNc2ncccn2
|
|
217
|
c1ccc2c(c1)nn(n2)C3=CC(=O)N=[NH+]3
|
|
218
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
219
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
220
|
c1ccc2c(c1)c(c[nH]2)/C=N/c3nccs3
|
|
221
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
222
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
223
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
224
|
|
|
225
|
CCOC1=N[C@@H]2CCCC[C@@H]2N1
|
|
226
|
c1ccc(cc1)c2nc3n(n2)CCS3
|
|
227
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
228
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
229
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
230
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
231
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
232
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
233
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
234
|
CC1CCCCC1NC(=C2C(=O)OC(OC2=O)(C)C)[O-]
|
|
235
|
|
|
236
|
c1ccc(cc1)n2nc3c(n2)-c4c(non4)CC3
|
|
237
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
238
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
239
|
CCc1c(nc(oc1=O)/C=C/c2ccccc2)[O-]
|
|
240
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
241
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
242
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
243
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
244
|
Cn1cc(nc1C(=O)[O-])NC(=O)c2cccs2
|
|
245
|
c1ccnc(c1)C#CCN2CCCCC2
|
|
246
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
247
|
Cc1nnc(o1)Nc2ccccc2
|
|
248
|
CC(C)(C)C1NNNN1CN2CCN(CC2)S(=O)(=O)C
|
|
249
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
250
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
251
|
c1ccc(cc1)CO[C@@H]2C=CC=CO2
|
|
252
|
c1cc(oc1)c2cc3nc4c(c(n3n2)[O-])SCC4
|
|
253
|
COC(=O)Nc1cn2c(n1)ccc(n2)C(=O)N
|
|
254
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
255
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
256
|
Cc1nc(cs1)c2cc(no2)CO
|
|
257
|
c1ccc(cc1)/C=C/c2csnn2
|
|
258
|
Cc1nc(cs1)C#Cc2ccccn2
|
|
259
|
Cc1cc(n(n1)CSc2ccccc2)C
|
|
260
|
Cc1cc(no1)CSc2ccccn2
|
|
261
|
Cc1c(non1)NCNc2c(non2)C
|
|
262
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
263
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
264
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
265
|
CCC(=O)Nc1c(non1)N
|
|
266
|
c1ccc(cc1)n2nc3c(n2)C(=O)CCC3
|
|
267
|
Cc1c(nc([nH]1)c2[nH]c(c(n2)C)C)C
|
|
268
|
c1ccc(cc1)NCc2cccs2
|
|
269
|
c1ccc(cc1)CCc2cnccn2
|
|
270
|
CCCc1nc([nH]n1)c2ccccc2O
|
|
271
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
272
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
273
|
C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)CCNc2ccccn2
|
|
274
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
275
|
Cc1nc(cs1)/C=C/c2cccnc2
|
|
276
|
Cn1ccc(=NC(=O)c2ccccc2)cc1
|
|
277
|
|
|
278
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
279
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
280
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
281
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
282
|
Cc1c(nn(n1)c2ccccc2)C(=O)n3cccc3
|
|
283
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
284
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
285
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
286
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
287
|
c1ccc2c(c1)ccc(n2)n3c4ccc5c(c4nn3)sc(n5)C#N
|
|
288
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
289
|
CC(=C)[C@@H](C(=O)OC)N1C(=O)C(CS1)NCC2CCCCC2
|
|
290
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
291
|
Cc1cnc(o1)Cn2cccn2
|
|
292
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
293
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
294
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
295
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
296
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
297
|
c1ccc(cc1)OCc2ccco2
|
|
298
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
299
|
Cn1c(nnn1)/N=C(/c2ccc(o2)Br)[O-]
|
|
300
|
c1ccnc(c1)SCCn2cccn2
|
|
301
|
c1ccc(cc1)c2cn(nn2)c3ccccc3
|
|
302
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
303
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
304
|
|
|
305
|
c1ccc(cc1)n2nc(c(n2)N3CCCCC3)C#N
|
|
306
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
307
|
Cc1nc(no1)CSc2ccccc2
|
|
308
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
309
|
[H]/N=c/n(nc(s1)N2CCOCC2)Cc3ccccc3
|
|
310
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
311
|
COC(=O)Nc1cn2ccccc2n1
|
|
312
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
313
|
c1cc(cnc1)c2cc(c3c(n2)nc(nc3[O-])N)C(F)(F)F
|
|
314
|
c1cc2c(c(c1)Cl)nc[nH]2
|
|
315
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
316
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
317
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
318
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
319
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
320
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
321
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
322
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
323
|
CC(C)(C)OC(=O)Nc1cc2c(nc1)n(cn2)C
|
|
324
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
325
|
Cc1cs/c(=NC)/n1NC(=O)Nc2ccc(cc2)Cl
|
|
326
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
327
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
328
|
Cc1ccc2c(c1)oc(n2)c3ccc(cc3)O
|
|
329
|
c1ccnc(c1)SCc2ccco2
|
|
330
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
331
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
332
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
333
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
334
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
335
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
336
|
Cc1ccoc1NC(=O)OC
|
|
337
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
338
|
Cc1cccnc1NC(=O)NC2(CCC2)c3nc(on3)C
|
|
339
|
Cc1c(non1)COc2ccc(cc2)C(=O)[O-]
|
|
340
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
341
|
c1cc(ncc1C#N)NCc2nccs2
|
|
342
|
CC1(C=C(NC(=O)N1)/C=C/c2ccccc2)C
|
|
343
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
344
|
c1cc(nnc1n2cncn2)[O-]
|
|
345
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
346
|
c1cc(oc1)CSc2nccs2
|
|
347
|
COC(=O)C#Cc1ccccn1
|
|
348
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
349
|
c1ccc(cc1)c2cc3ccsc3o2
|
|
350
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
351
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
352
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
353
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
354
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
355
|
|
|
356
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
357
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
358
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
359
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
360
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
361
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
362
|
C1C[C@@H](OC1)C(=O)Nc2[n-]nnn2
|
|
363
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
364
|
c1ccc(cc1)/C=C/c2nnc(o2)N
|
|
365
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
366
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
367
|
C1NC([NH]N1)NC2=NCCO2
|
|
368
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
369
|
C1NC2C(S1)C(=O)[NH]C(N2)N
|
|
370
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
371
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
372
|
c1ccnc(c1)SCc2[n-]nnn2
|
|
373
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
374
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
375
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
376
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
377
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
378
|
CCC(=O)Nc1nnn(n1)C
|
|
379
|
Cc1cc(cc([o+]1)C)/C=C/c2ccccc2
|
|
380
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
381
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
382
|
CCOC(=O)Nc1csnn1
|
|
383
|
c1nc([nH]n1)c2c(non2)N
|
|
384
|
c1ccc2c(c1)nc(s2)n3cnc(n3)C#N
|
|
385
|
c1ccc(cc1)CNc2c(non2)O
|
|
386
|
C=CCNC(=O)c1ccco1
|
|
387
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
388
|
CCn1cc(cn1)c2cc[nH]n2
|
|
389
|
CC1(C=CN(C=C1)C(=O)Nc2ccccc2)C
|
|
390
|
c1ccc(cc1)SCn2cncn2
|
|
391
|
CCOC(=O)N1CCN(CC1)C2NNC3NCCN3N2
|
|
392
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
393
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
394
|
c1ccc(cc1)C(=O)Nc2nc(ns2)[O-]
|
|
395
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
396
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
397
|
c1ccc(cc1)OCn2ccc(=O)cc2
|
|
398
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
399
|
c1cc(oc1)CNc2nccs2
|
|
400
|
c1cc2c(nc1)nc(o2)N3CCCC3
|
|
401
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
402
|
Cc1cnc(o1)CSc2ccccc2
|
|
403
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
404
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
405
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
406
|
COc1ccc(cc1)NC(=O)NC2=C(CCC2)C(=O)OC
|
|
407
|
c1ccc(cc1)NC(=O)N(c2ccccc2)C3=NCCC3
|
|
408
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
409
|
c1ccc(cc1)NCc2ccco2
|
|
410
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
411
|
c1cc(oc1)CNC(=O)n2ccnc2
|
|
412
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
413
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
414
|
c1ccn(c1)C2CCN(CC2)CCC#N
|
|
415
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
416
|
Cc1cccc(c1)NC(=O)n2cccn2
|
|
417
|
|
|
418
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
419
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
420
|
Cc1cnc(s1)Nc2cnc(nc2)SC
|
|
421
|
|
|
422
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
423
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
424
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
425
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
426
|
c1cc(ccc1NC(=O)Cc2[n-]nnn2)F
|
|
427
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
428
|
CCCNC(=O)Nc1c(c(c(o1)C)C)C#N
|
|
429
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
430
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
431
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
432
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
433
|
c1ccc2c(c1)nnn2Cc3nc4ccccc4s3
|
|
434
|
CCOC(=O)N=c1oc2ccccc2o1
|
|
435
|
c1ccc(cc1)/C=C/c2cccs2
|
|
436
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
437
|
C(CF)NC(=O)NCCF
|
|
438
|
Cn1c(c(cn1)c2nc(no2)C3CC3)N
|
|
439
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
440
|
Cc1cc(nn1C)c2nnc(s2)NC
|
|
441
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
442
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
443
|
c1ccc2c(c1)c(ns2)NCc3cccs3
|
|
444
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
445
|
Cc1cc(c(c(=O)o1)C#Cc2ccccc2)Cl
|
|
446
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
447
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
448
|
|
|
449
|
Cn1ccnc1NCc2ccco2
|
|
450
|
CCOC1NNC(S1)CSC2CCCCN2
|
|
451
|
CCCc1nc2c(o1)cccn2
|
|
452
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
453
|
Cc1cc(no1)c2nnc(o2)N
|
|
454
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
455
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
456
|
c1ccc2c(c1)nnn2n3c4ccccc4nn3
|
|
457
|
c1cc(ccc1C#N)OC(=O)c2csnn2
|
|
458
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
459
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
460
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
461
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
462
|
C1CCC(CC1)COC(=O)N2C[C@@H]3CC[C@H]2CC(=O)O3
|
|
463
|
Cc1c(cco1)c2nc3n(n2)C[C@@H]4[C@@H]3C=CC=C4
|
|
464
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
465
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
466
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
467
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
468
|
C1CC(CC(C1)BR)C2CN3CNSC3N2
|
|
469
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
470
|
|
|
471
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
472
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
473
|
c1cc(cnc1)NCc2csnn2
|
|
474
|
Cc1nnc(o1)CSc2ccccn2
|
|
475
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
476
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
477
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
478
|
c1ccc(cc1)NCCn2cccc2
|
|
479
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
480
|
c1cc(ccc1C2=C/C(=C/3C=C(C=CC3=O)Cl)/ON2)F
|
|
481
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
482
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
483
|
Cc1ncc(o1)Sc2cnc(s2)c3ccccc3
|
|
484
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
485
|
C#CCOc1ccc(cc1)F
|
|
486
|
CCC(=O)Nc1ncccn1
|
|
487
|
CC1(CO/C(=C/C(=O)c2ccccc2)/N1)C
|
|
488
|
CC1C(SC(N1)C[C@@H](C)N2CC(CN2)CL)C(=O)C
|
|
489
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
490
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
491
|
c1c2c(cc3c1OCO3)nn[nH]2
|
|
492
|
CCS(=O)(=O)NCc1nnc(o1)C
|
|
493
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
494
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
495
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
496
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
497
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
498
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
499
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
500
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
501
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
502
|
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)O
|
|
503
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
504
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
505
|
c1ccc(cc1)C(=O)Nc2cnc3n(c2=O)ncs3
|
|
506
|
Cc1nc(co1)C#Cc2cccnc2
|
|
507
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
508
|
CCOC(=O)c1nc2c(s1)NCCCC2
|
|
509
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
510
|
Cc1nn2cc(nc2s1)NC(=O)OC
|
|
511
|
c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
|
|
512
|
CC(C)NC(=O)N[C@H]1COCCO1
|
|
513
|
c1ccc(cc1)Nc2nccs2
|
|
514
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
515
|
C[C@@H](n1ccnc1)OCc2ccc(cc2)F
|
|
516
|
c1ccc(cc1)CCc2csnn2
|
|
517
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
518
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
519
|
CC1NC(ON1)C2CNCCN2
|
|
520
|
Cc1ccc2c(c1)[nH]/c(=Nc3nc(cc(n3)O)C)/o2
|
|
521
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
522
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
523
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
524
|
|
|
525
|
C1NC2C(C(N1)[O-])NC(NN2)[O-]
|
|
526
|
CCCn1cnc(n1)NC(=O)c2cc(=O)n(c(n2)[O-])C
|
|
527
|
Cc1ccc(cc1)C#Cc2ccco2
|
|
528
|
Cc1cccc(c1)NC2=NCCO2
|
|
529
|
COC(=O)c1c(sc(n1)N2CCCCC2)C(=O)c3ccco3
|
|
530
|
COc1ccc(cc1)C2=NCC(=NC2)c3ccc(cc3)OC
|
|
531
|
c1ccc2c(c1)cc3c(n2)OC(=O)N(C3)C4CC4
|
|
532
|
c1ccc(cc1)CNn2cnnn2
|
|
533
|
CC1=C(N/C(=C/2C=CC=CC2=O)/N1)c3ccccc3
|
|
534
|
c1cc(cnc1)CCNCc2cscn2
|
|
535
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
536
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
537
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
538
|
c1ccc(cc1)/C=C/C#Cc2ccccc2
|
|
539
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
540
|
Cc1ccc(cc1)c2ncns2
|
|
541
|
CSc1nnc(c(=O)n1N)/C=C/c2cccs2
|
|
542
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
543
|
c1c[nH]nc1C(=O)NC2CC2
|
|
544
|
Cc1c[nH]/c(=NC(=O)OC(C)(C)C)/[nH]1
|
|
545
|
|
|
546
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
547
|
c1ccc(cc1)NCc2cscn2
|
|
548
|
c1ccc(cc1)OCCn2ccnc2
|
|
549
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
550
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
551
|
|
|
552
|
CCOC(=O)N/C=CNC(=O)OCC
|
|
553
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
554
|
CCc1nnc(s1)/N=C(/[C@@H](C2CCCC2)NC(=O)C)[O-]
|
|
555
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
556
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
557
|
|
|
558
|
|
|
559
|
c1ccc(cc1)NC(=O)c2nnc(s2)C(F)(F)F
|
|
560
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
561
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
562
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
563
|
c1cc(nnc1n2cnnn2)Cl
|
|
564
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
565
|
c1ccc(cc1)C(=O)CC2=CCCCC2
|
|
566
|
COC1NC2CCCCC2NN1
|
|
567
|
Cc1ccc(cc1)N2C[C@@H]3Cc4ccccc4CN3C2
|
|
568
|
Cc1cc(no1)CSc2nncs2
|
|
569
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
570
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
571
|
Cc1c[nH]/c(=NS(=O)(=O)c2ccccc2)/s1
|
|
572
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
573
|
c1ccc-2c(c1)-c3c2nc4ccccc4n3
|
|
574
|
Cc1ccc2nc(=O)on2c1
|
|
575
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
576
|
COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
|
|
577
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
578
|
c1ccnc(c1)SCc2c(snn2)Cl
|
|
579
|
c1ccc(cc1)c2nc(on2)c3c(c4ccccc4s3)O
|
|
580
|
Cc1cc(nc(n1)SNc2ccccc2OC)C
|
|
581
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
582
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
583
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
584
|
|
|
585
|
c1ccc(cc1)COn2ccnc2
|
|
586
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
587
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
588
|
C1CCC(CC1)C(=O)C#CC2C[NH]C(=O)[NH]C2=O
|
|
589
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
590
|
c1c(c2c([nH]c1=O)CCC2)[O-]
|
|
591
|
CC1NC2C(NCNC2NN1)N
|
|
592
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
593
|
Cc1nnc(s1)Sc2cc(nc(n2)N)Cl
|
|
594
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
595
|
CC(=O)Nn1c2ccccc2nn1
|
|
596
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
597
|
Cc1cc(nc(n1)Nc2cc(on2)C)C#N
|
|
598
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
599
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
600
|
CS(=O)(=O)c1ccc(cc1)c2nnc(s2)[C@@H]3CCC=CC3
|
|
601
|
c1ccc2c(c1)C[C@@H]([C@@H]2Sc3ncccn3)O
|
|
602
|
CS(=O)(=O)NCc1ccccn1
|
|
603
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
604
|
c1cnoc1NC(=O)N2CCOCC2
|
|
605
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
606
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
607
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
608
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
609
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
610
|
c1ccc(cc1)NC(=O)[C@@H]2CC(=Nc3n2cnn3)O
|
|
611
|
c1cc(oc1)/C=C/c2ccco2
|
|
612
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
613
|
c1ccc(cc1)NC(=O)n2ccnc2
|
|
614
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
615
|
C1CCC2C(C1)CC3C(N2)-C4C(C5COCC5C(=O)N4C3)O
|
|
616
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
617
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
618
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
619
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
620
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
621
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
622
|
c1ccc2c(c1)N[C@@H](O2)c3cccs3
|
|
623
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
624
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
625
|
CSc1c(c(sn1)SC)NC(=O)OC[C@@H]2CCCO2
|
|
626
|
|
|
627
|
CC(C)S(=O)(=O)c1cscc1NC(=O)Nc2ccccc2
|
|
628
|
COC1=CC=C/C(=C/C=C/2C=CC3CCCCC3N2)/C1=O
|
|
629
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
630
|
c1cc(oc1)C(=O)N[C@@H]2CC(=O)c3c2ccs3
|
|
631
|
c1ccc(cc1)C#CC#CC#N
|
|
632
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
633
|
Cc1cc(nc(n1)SCc2nnc(s2)NC)C
|
|
634
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
635
|
CCC(=O)N/C=C/c1ccccc1
|
|
636
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
637
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
638
|
C1Cc2c(onc2c3c4c(on3)CCC4)C1
|
|
639
|
c1ccc(cc1)NC(=O)[C@H]2C(=O)COC2=O
|
|
640
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
641
|
c1ccc(cc1)c2nc3[nH]ncn3n2
|
|
642
|
C1CC(OC1)CNC2=NCCO2
|
|
643
|
CCCOC(=O)n1cccc1
|
|
644
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
645
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
646
|
c1ccc2c(c1)nnn2C3=NCCCC3
|
|
647
|
CC1=C(OCCO1)C(=O)N[C@@H]2CC(=O)N(C2)CC(C)(C)C
|
|
648
|
Cc1cc(sn1)NC(=O)c2ccco2
|
|
649
|
Cc1cc([nH]n1)OCCC#N
|
|
650
|
c1ccc(cc1)NC[C@@H]2COCO2
|
|
651
|
c1ccc(cc1)C(=O)Nc2cccs2
|
|
652
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
653
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
654
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
655
|
c1ccnc(c1)Nc2cccs2
|
|
656
|
CC(=O)Nc1nnc(s1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
657
|
c1ccn2c(c1)n/c(=NC(=O)c3ccco3)/s2
|
|
658
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
659
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
660
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
661
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
662
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
663
|
c1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCN4C3=O
|
|
664
|
C1CCC2C(C1)NC3=C(N2)O[C@@H](C3=O)C4CCCO4
|
|
665
|
CC1NC(ON1)[C@@H]2CCC=CC2
|
|
666
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
667
|
c1cc(c2c(c1)[nH]c(=O)o2)N
|
|
668
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
669
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
670
|
Cncc([nH]/c1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
671
|
c1cnccc1CSc2nncs2
|
|
672
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
673
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
674
|
CN(C)/C=C/C(=O)N=C(S1)/C=C(/c2cccs2)[O-]
|
|
675
|
CC1C(CNO1)/C=C/C2CCON2
|
|
676
|
Cn1c2c(cn1)nc([nH]2)c3ccccc3
|
|
677
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
678
|
C1Cc2nnc(n2C1)C(=O)[O-]
|
|
679
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
680
|
Cc1c(cno1)c2cn3ccccc3n2
|
|
681
|
CC(C)CN1N(O1)CCOC(=O)NC2CCCCC2
|
|
682
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
683
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
684
|
CC1=CC(C=C2N1C(=O)C[C@@H](N2)C(=O)Nc3ccccc3)(C)C
|
|
685
|
c1nc(c(n1CCO)N)C#N
|
|
686
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
687
|
Cc1ccc(cc1)c2[n-]nnn2
|
|
688
|
C1CCC(CC1)CON2CCCC2C#N
|
|
689
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
690
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
691
|
c1cc2c(cc1C(F)(F)F)nc(s2)c3csnn3
|
|
692
|
C1CCC(CC1)/C=C/N2CCNC2
|
|
693
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
694
|
C=CCc1cc2nccn2cn1
|
|
695
|
CNc1c2c(nccn2)ncn1
|
|
696
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
697
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
698
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
699
|
Cc1nnc(o1)CSc2nccn2C
|
|
700
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
701
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
702
|
CC(C)(C)/C=C/c1ccccn1
|
|
703
|
Cc1nnc(s1)c2ccccc2
|
|
704
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
705
|
Cc1c(=O)n2c(nn1)sc(n2)c3ccco3
|
|
706
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
707
|
Cc1cc(nc(n1)C)n2cnc(n2)C#N
|
|
708
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
709
|
C(c1c(non1)N)c2c(non2)N
|
|
710
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
711
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
712
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
713
|
c1cc(oc1)Cn2c(ccn2)N
|
|
714
|
CN(C)C(=O)OCOC(=O)N(C)C
|
|
715
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
716
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
717
|
c1ccc(cc1)CN2C=N[C@@H]3[C@@H]2N=C(N=C3N)Cl
|
|
718
|
c1ccc(cc1)Nc2cn[nH]n2
|
|
719
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
720
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
721
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
722
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
723
|
c1ccc(cc1)CCOn2ccnc2
|
|
724
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
725
|
Cc1nnc(s1)SCN2CCN(CC2)c3ccccc3
|
|
726
|
Cn1cc(cn1)NCc2ccco2
|
|
727
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
728
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
729
|
c1cnccc1c2nc3n(n2)CCC3
|
|
730
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
731
|
CSc1ccc(cc1)c2nc(on2)c3ccc[nH]c3=O
|
|
732
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
733
|
CCC(=O)C#Cc1ccccc1
|
|
734
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
735
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
736
|
c1c(c2c(nc[nH]2)nn1)Cl
|
|
737
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
738
|
CNC(=O)N[C@@H]1CCCC=C1
|
|
739
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
740
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
741
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
742
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
743
|
Cc1ccc2c(c1)C(=O)C[C@@H](O2)c3ncc(n3C)Cl
|
|
744
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
745
|
CCCCc1[nH]cc([nH+]1)CO
|
|
746
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
747
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
748
|
c1ccc(cc1)S(=O)(=O)Nc2nncs2
|
|
749
|
CC(C)CC(=O)N1CCN(CC1)C[C@@H]2C=N[C@@H]3[C@@H]2C=CC=C3
|
|
750
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
751
|
c1cc(c(nc1)c2ccco2)N
|
|
752
|
c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
|
|
753
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
754
|
CCCNC(=O)Cc1nc[nH]n1
|
|
755
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
756
|
Cc1cc(no1)c2nc(on2)C(C)(C)C
|
|
757
|
c1ccc(cc1)SCc2cnc(s2)Cl
|
|
758
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
759
|
c1ccc(cc1)C(=O)Nn2cccc2
|
|
760
|
c1ccc(cc1)CSc2ccsc2
|
|
761
|
CC#CC(=O)COC/C(=C/C=C)/C
|
|
762
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
763
|
c1ccc(cc1)Nc2nc(ns2)N
|
|
764
|
c1ccc(cc1)c2ncc(s2)c3ccno3
|
|
765
|
CC(=O)N[C@@H]1[C@@H]2CN3[C@H]1[C@H](O2)CC3
|
|
766
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
767
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
768
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
769
|
c1ccc(cc1)Sc2ccccn2
|
|
770
|
Cc1ccc(cc1)c2nc(on2)c3cc4ccccc4[nH]3
|
|
771
|
c1cc(ccc1[C@@H]2C=Cc3cc(cnc3O2)Cl)Cl
|
|
772
|
CNC(=O)N/C=C/c1ccco1
|
|
773
|
CN1C(NCN1)CCC2CCCCC2
|
|
774
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
775
|
C[C@@H](C(=O)N1CCCS1(=O)=O)Oc2ccc(cc2)C#N
|
|
776
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
777
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
778
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
779
|
Cc1cc(cc(c1)NC(=O)c2c(nco2)C)C
|
|
780
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
781
|
COC(=O)n1c(=O)c2ccccc2o1
|
|
782
|
COc1ccc(cc1)C2=NNC(=C3C(=NN=C3N)N)O2
|
|
783
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
784
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2ccccn2
|
|
785
|
CN1c2ccccc2[C@@](C1=O)(c3nnc(o3)c4ccccc4)O
|
|
786
|
Cc1[nH]nc(n1)c2ccccc2
|
|
787
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
788
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
789
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
790
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
791
|
CCSc1[nH]c(c(n1)C)CC(C)C
|
|
792
|
c1cc(ccc1Cn2c(=O)oc(n2)c3ccoc3)C#N
|
|
793
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
794
|
C1C=Nc2c1c(=O)[nH]c(=O)[nH]2
|
|
795
|
C1CCC(CC1)SC[C@@]2(CCCC=C2)O
|
|
796
|
c1cc(oc1)c2cc(no2)CO
|
|
797
|
Cc1ccc2c(c1)SC=C(O2)c3ccccc3
|
|
798
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
799
|
CCOC(=O)c1coc(n1)c2ccc(cc2)O
|
|
800
|
CC1=Nc2c(c(n(n2)c3ccccc3)O)C(=O)CC1
|
|
801
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
802
|
c1cc(sc1)CSc2ccc(cc2)O
|
|
803
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
804
|
Cc1c(non1)NCn2cnnn2
|
|
805
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
806
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
807
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
808
|
CC1CCC2C(C1)NNS2
|
|
809
|
Cn1ccnc1NCC2CC2
|
|
810
|
c1ccc(cc1)[C@@H]2OCc3c(ccc(n3)CO)O2
|
|
811
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
812
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
813
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
814
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
815
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
816
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
817
|
CC(C)(C)OC(=O)NCc1c[nH]nc1
|
|
818
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
819
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
820
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
821
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
822
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
823
|
c1ccc(cc1)c2cn(c(=O)o2)c3ccccc3
|
|
824
|
c1cc(ccc1C#N)C2=C[C@@H]3C=CSC3=N2
|
|
825
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
826
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
827
|
c1csc2c1[nH]c(=O)oc2=O
|
|
828
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
829
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
830
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
831
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
832
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
833
|
c1cc2c(nc1)nc(s2)Cl
|
|
834
|
|
|
835
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
836
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
837
|
Cc1[nH]cc(n1)c2ccccc2
|
|
838
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
839
|
COC1=COC(=C(O1)O)C2CCC(CC2)F
|
|
840
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
841
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
842
|
c1ccc(cc1)COc2c(nccn2)N
|
|
843
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
844
|
c1ccc2c(c1)nc3c(n2)Oc4ccccc4N3
|
|
845
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
846
|
Cc1c(cn(n1)CC=C)CNCc2c(nns2)C
|
|
847
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
848
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
849
|
Cc1c(=O)nc([nH]n1)c2cccs2
|
|
850
|
c1ccc(cc1)C#Cc2cccs2
|
|
851
|
c1ccnc(c1)/C(=N/c2n[nH]nn2)/[O-]
|
|
852
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
853
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
854
|
CC(C)NC(=O)CSc1nnns1
|
|
855
|
COC(=O)Nc1ccsc1
|
|
856
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
857
|
Cc1ccc(nc1)n2cccc2
|
|
858
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
859
|
|
|
860
|
Cc1csc(n1)c2cn(c(=O)[nH]c2=O)C
|
|
861
|
CC1=C(C[S@@](=O)N(C1)c2nc(sn2)SC)C
|
|
862
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
863
|
CC(=O)Nc1coc2c1cccc2
|
|
864
|
[H]/N=c/n(ccs1)/N=N/c2ccccc2
|
|
865
|
Cc1cc(nc(n1)c2csc(n2)C)NC
|
|
866
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
867
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
868
|
Cc1cn(nn1)c2ccccc2
|
|
869
|
C1CCC(CC1)CC[C@@]2(CC(OC2)(C(F)(F)F)C(F)(F)F)O
|
|
870
|
Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C
|
|
871
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
872
|
Cc1nc(cn1C(=O)C)NC(=O)C
|
|
873
|
COc1ccc(cc1)C2=Nc3ccccc3SCN2
|
|
874
|
C1=N[C@@H]2[C@@H](N1)NC(=NC2=O)[NH-]
|
|
875
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
876
|
CC(=O)Oc1c(c(c([nH]1)C(=O)OC)O)O
|
|
877
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
878
|
c1cc(oc1)CNc2nnns2
|
|
879
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
880
|
CCn1/c(=N/C(=O)C)/sc(n1)SCc2ccccc2
|
|
881
|
COc1ccnc(n1)Sc2nnc(s2)SC
|
|
882
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
883
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
884
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
885
|
C[C@@]1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
|
|
886
|
COC1CCC(CC1)/C=C/C2=C(CCCO2)C(=O)[O-]
|
|
887
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
888
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccccn3)O
|
|
889
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
890
|
CS(=O)(=O)NCCOc1ccccc1
|
|
891
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
892
|
Cc1cc(nc2c1c(nn2C)n3c(c(nn3)C#N)N)C
|
|
893
|
c1cc(ccc1c2c(c3cc(c(nc3o2)Cl)C#N)N)F
|
|
894
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
895
|
Cc1c(n(c(=O)n1c2ccccc2)C)NC(=O)NC3CCCC3
|
|
896
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
897
|
Cc1ccc(cc1)NS(=O)(=O)c2ccc(o2)Br
|
|
898
|
Cn1cnc2c1ccnc2C(=O)NCC(=O)[O-]
|
|
899
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
900
|
CC(=O)Nn1cnc2c1cccc2
|
|
901
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
902
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
903
|
c1ccc2c(c1)[nH]c(=O)c(n2)n3ccnc3
|
|
904
|
C1CCC(CC1)C(=O)N[C@@H]2C(=O)NN=C2[O-]
|
|
905
|
Cc1ccc2c(c1)nnc(n2)N
|
|
906
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
907
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
908
|
CN(C)CC#Cc1cc(cnc1)C#N
|
|
909
|
c1cc(cc(c1)OCc2cscn2)N
|
|
910
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
911
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
912
|
Cc1csc(=O)n1CN(C)Cc2ccc(s2)Cl
|
|
913
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
914
|
|
|
915
|
CC1[NH]C(=O)C(CN1)CC=C
|
|
916
|
c1cc(cnc1)CNCCc2ccco2
|
|
917
|
C=CCOc1ccc(cc1)O
|
|
918
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
919
|
c1ccc(cc1)Nc2nncs2
|
|
920
|
CCOC(=O)N1CC[C@@H](C=C1)O
|
|
921
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
922
|
Cc1ccc(cc1)S(=O)(=O)Cn2cccc(c2=O)O
|
|
923
|
Cc1ccc(cc1)n2cccn2
|
|
924
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
925
|
CC1=NN(C(=O)C1)CCc2cccc(c2OC)OC
|
|
926
|
CCOC(=O)Cc1[nH]ncn1
|
|
927
|
c1ccc2c(c1)nn(n2)Cc3ccco3
|
|
928
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
929
|
COc1cccc(c1)C2=CCN(C(=O)N2)c3ccccc3O
|
|
930
|
Cc1nc(cs1)c2ccc[nH]2
|
|
931
|
C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
|
|
932
|
c1ccc(cc1)COc2cnc(nc2)C#N
|
|
933
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
934
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
935
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
936
|
|
|
937
|
Cn1cc(cn1)c2nnc(o2)SC
|
|
938
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
939
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
940
|
Cc1nnc(o1)CCNS(=O)(=O)C
|
|
941
|
C1CC(CCC1NC(=O)C2=C([C@@H]3C=C[C@H]2O3)C(=O)[O-])CL
|
|
942
|
CN(CCc1ccccn1)c2nc(=[N+](C)C)ss2
|
|
943
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
944
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
945
|
CC1(NC(=O)[C@@H](O1)/C=C/C2CCCCC2)C
|
|
946
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
947
|
Cc1ccc(n1c2[n-]c(nn2)SCCCC(=O)[O-])C
|
|
948
|
C=CCNC(=O)n1ccnc1
|
|
949
|
c1cc(ccc1C2=CCn3c(nnn3)N2)F
|
|
950
|
|
|
951
|
CCC/C=C/c1ccc(s1)C
|
|
952
|
Cn1cc(nn1)NC(=O)c2ccc(cc2)Cn3cccc3
|
|
953
|
CCNC(=O)c1csnn1
|
|
954
|
C[C@@H](Nc1nccs1)n2cncn2
|
|
955
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
956
|
c1ccc(cc1)c2c3ccccn3nn2
|
|
957
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(s3)Br
|
|
958
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
959
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
960
|
Cc1ccc(s1)Nc2ccccc2
|
|
961
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
962
|
c1ccnc(c1)C(=O)c2ccc[nH]2
|
|
963
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
964
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
965
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
966
|
Cc1c(scn1)c2[n-]c3cc(cnc3n2)Br
|
|
967
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
968
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
969
|
c1csc2c1c(=O)oc(=O)[nH]2
|
|
970
|
C#CCCO[C@@H]1CCCCO1
|
|
971
|
CCOc1cc(no1)Oc2ccccc2
|
|
972
|
CC(=O)C#C/C=C/c1ccccc1
|
|
973
|
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
|
|
974
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
975
|
COc1ccc(cc1)C2=COc3ccccc3C(=O)N2
|
|
976
|
c1cc(oc1)C(=O)Nc2csnn2
|
|
977
|
Cn1c2c(cn1)c(ncn2)n3cnc4c3cccc4
|
|
978
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
979
|
Cc1ccc(cc1)c2cn[nH]n2
|
|
980
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
981
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
982
|
c1ccc2c(c1)nnn2c3ccco3
|
|
983
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
984
|
|
|
985
|
CCOc1/c(=N/Cc2ccccc2)/c(=O)c1[O-]
|
|
986
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
987
|
c1c[nH]nc1c2nccs2
|
|
988
|
c1ccc(cc1)Nc2nnns2
|
|
989
|
Cc1nc(cs1)[C@@H]2COc3ccccc3O2
|
|
990
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
991
|
Cc1c(nnn1C)c2csnn2
|
|
992
|
CO[C@@H]1CCS(=O)(=O)NC1
|
|
993
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
994
|
CNc1c2c(c3c(n1)oc(n3)c4ccccc4)n(cn2)C
|
|
995
|
C[C@H]1[C@@H]([C@H](C=CO1)O)OCc2ccccc2
|
|
996
|
|
|
997
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
998
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
999
|
c1ccc(cc1)C2=N/C(=C/Nc4ccccc4S3)/C(=O)N2
|
|
1000
|
Cc1nc(cn1C)S(=O)(=O)Oc2ccccc2F
|
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