(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
2
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
3
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
4
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
5
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
6
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
7
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
8
|
CC1CC2CC3CCCNN3C2NN1
|
|
9
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
10
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
11
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
12
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
13
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
14
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
15
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
16
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
17
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
18
|
c1cnc(cn1)c2nnc(o2)N
|
|
19
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
20
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
21
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
22
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
23
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
24
|
CCNc1nc(nc(n1)Cl)Sc2nnc(s2)SC
|
|
25
|
Cn1c(ccn1)c2cc(no2)C(=O)[O-]
|
|
26
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
27
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
28
|
|
|
29
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
30
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
31
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
32
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
33
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
34
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
35
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
36
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
37
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
38
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
39
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
40
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
41
|
Cc1cnc(s1)NC(=O)c2c(nsc2NC)C
|
|
42
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
43
|
c1ccnc(c1)CCSc2nncs2
|
|
44
|
Cc1csc(n1)Sc2nnc(s2)c3ccccc3
|
|
45
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
46
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
47
|
c1cnc(nc1)Sc2cnnc(c2Cl)[O-]
|
|
48
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
49
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
50
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
51
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
52
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
53
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
54
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
55
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
56
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
57
|
|
|
58
|
|
|
59
|
Cc1cc(n(n1)c2[n-]nnn2)C
|
|
60
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
61
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
62
|
Cn1c(nnn1)c2ccco2
|
|
63
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
64
|
c1cnc(nc1c2nccs2)N
|
|
65
|
c1ccc(cc1)NC(=O)N[C@@H]2[C@@H](N=NS2)C(=O)[O-]
|
|
66
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
67
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
68
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
69
|
C1NC2C(C(N1)[O-])NC(NN2)[O-]
|
|
70
|
c1cnc(c2c1n3c(ccn3)nn2)[O-]
|
|
71
|
Cc1nc(c(nn1)[O-])Cc2ccccc2
|
|
72
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
73
|
COc1ccnc(n1)Sc2nnc(s2)SC
|
|
74
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
75
|
c1ccnc(c1)/C(=N/c2n[nH]nn2)/[O-]
|
|
76
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
77
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
78
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
79
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
80
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
81
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
82
|
c1c(c(c(=O)n(n1)Cc2c(snn2)Cl)Cl)Cl
|
|
83
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
84
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
85
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
86
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
87
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
88
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
89
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
90
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
91
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
92
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
93
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
94
|
Cn1c(ccn1)c2cc(on2)C(=O)[O-]
|
|
95
|
CC1C(NON1)C(=O)N(C)C
|
|
96
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
97
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
98
|
c1cc(oc1)c2c(n[n-]n2)C#N
|
|
99
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
100
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
101
|
|
|
102
|
Cc1nnc(n1N)Sc2nccc(n2)OC
|
|
103
|
CN(C)c1nnnn1c2cccnc2
|
|
104
|
CC(C)(C)OC(=O)NCc1c[nH]nc1
|
|
105
|
c1ccn2c(c1)n/c(=NC(=O)c3ccco3)/s2
|
|
106
|
CC(C)N1C(NNN1)SC2CNN(C(=O)C2CL)C
|
|
107
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
108
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
109
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
110
|
c1cscc1c2c[nH]cc2C(=O)[O-]
|
|
111
|
CCc1nnc(s1)/N=C(/[C@@H](C2CCCC2)NC(=O)C)[O-]
|
|
112
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
113
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
114
|
Cc1csc(n1)c2nnc(o2)N
|
|
115
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
116
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
117
|
CC1(Cc2ccccc2-c3n1nnn3)C
|
|
118
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
119
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
120
|
CC(C)c1nnc(o1)C(=O)[O-]
|
|
121
|
Cc1cc(c(nn1)[O-])c2nc3ccccc3n2C
|
|
122
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
123
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
124
|
Cc1c(c(c([nH]1)C)C(=O)[O-])c2nnc(o2)C
|
|
125
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
126
|
CN(C)c1nnc(o1)[C@H]2C=N[NH+]=C2N
|
|
127
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
128
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
129
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
130
|
C1C(=O)CC2NN[NH]N2C1N
|
|
131
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
132
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
133
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
134
|
Cc1cc(c(nn1)N)C(=O)N
|
|
135
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
136
|
|
|
137
|
c1ccc2c(c1)nnn2c3nnns3
|
|
138
|
CS(=O)(=O)NCc1ccccn1
|
|
139
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
140
|
c1c([nH]nn1)SCC(=O)N
|
|
141
|
C(C1[N-]NNN1)C2[N-]NNN2
|
|
142
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
143
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
144
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
145
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
146
|
Cc1nc(nn1c2[n-]cnn2)C(=O)[O-]
|
|
147
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
148
|
c1cnn(c1)CCSc2nncs2
|
|
149
|
c1csc(n1)n2cnnn2
|
|
150
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
151
|
CC1CCC2C(N1)C(=O)NC[NH]2
|
|
152
|
c1nc2n(n1)[C@@H](C(=O)N2)CC(=O)[O-]
|
|
153
|
Cc1ccc(nc1)n2cnnn2
|
|
154
|
|
|
155
|
Cc1[nH]c(=O)c2c(n1)C[NH2+]C2
|
|
156
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
157
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
158
|
c1ccc2c(c1)nnn2c3ccco3
|
|
159
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
160
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
161
|
c1cc2cccc3c2c(c1)C(=O)N3
|
|
162
|
c12c(=O)[nH]sc1snc2Cl
|
|
163
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
164
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
165
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
166
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
167
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
168
|
c1cc(oc1)c2c[nH]c(=O)nc2N
|
|
169
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
170
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
171
|
CC(=O)Nn1c2ccccc2nn1
|
|
172
|
c1cc(nnc1n2cnnn2)Cl
|
|
173
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
174
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
175
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
176
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
177
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
178
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
179
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
180
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
181
|
CCOC(=O)Cn1nnnn1
|
|
182
|
Cc1cn2c(nc1=O)O[C@@H]3C[C@H]2O[C@@H]3CO
|
|
183
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
184
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
185
|
CC1(C=CN(C=C1)C(=O)Nc2ccccc2)C
|
|
186
|
CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
|
|
187
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
188
|
CCn1c2ccccc2nc1c3csnn3
|
|
189
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
190
|
c1cc(nnc1n2cncn2)[O-]
|
|
191
|
Cc1c(sc2c1c(=O)[nH]nn2)C
|
|
192
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
193
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
194
|
c1c(c2nc(=O)[nH]c(=O)n2[nH]1)Br
|
|
195
|
C1Cc2nnc(n2C1)C(=O)[O-]
|
|
196
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
197
|
c1ccc-2c(c1)Cc3c2nncc3
|
|
198
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
199
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
200
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
201
|
C[C@@]1(C(=O)N=C2N1C=CC=C2)CC(=O)[O-]
|
|
202
|
c1cnc2c(n1)c(nnc2[O-])[O-]
|
|
203
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
204
|
c1ccc(cc1)c2c3ccccc3nnn2
|
|
205
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
206
|
Cc1c(c(n(n1)Cc2[n-]nnn2)C)Br
|
|
207
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
208
|
C1CCC(CC1)S(=O)(=O)NCCN2CCNC2
|
|
209
|
c1ccc2c(c1)n3c(s2)nnn3
|
|
210
|
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c2ccccn2
|
|
211
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
212
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
213
|
CC(=O)n1ccc(n1)C(=O)[O-]
|
|
214
|
Cc1c(c(nc(c1Cl)C)S(=O)(=O)NC2CC2)C#N
|
|
215
|
Cc1c(nn(n1)C(=O)c2ccccc2)C
|
|
216
|
Cc1c(c(nc(c1Cl)C)S(=O)(=O)n2ccnc2)C#N
|
|
217
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
218
|
c1csc2c1-c3c(c(no3)C(=O)[O-])CC2
|
|
219
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
220
|
CC1NCC2C(N1)C(NC(N2)N)[O-]
|
|
221
|
c1ccc(cc1)c2cccnn2
|
|
222
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
223
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
224
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
225
|
Cc1c(c(c2n1CCS2)C(=O)[O-])C(=O)[O-]
|
|
226
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
227
|
c1ncn(n1)NCNn2cncn2
|
|
228
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
229
|
Cc1csc(n1)Cc2nc3ccccc3n2C
|
|
230
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
231
|
c1cnn(c1)c2nncn2N
|
|
232
|
Cc1c(c2cnnc(n2n1)[O-])Br
|
|
233
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
234
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
235
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
236
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
237
|
Cn1c(nc(n1)n2c3ccccc3nn2)N
|
|
238
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
239
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
240
|
c1ccc(cc1)c2nc(cs2)Cn3c4ccccc4nn3
|
|
241
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
242
|
Cc1c(c(n[nH]1)C)Sc2ccccc2
|
|
243
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
244
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
245
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
246
|
c1cc(c(nc1)Sc2cn[nH]n2)C(F)(F)F
|
|
247
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
248
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
249
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
250
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
251
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
252
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
253
|
CC(C)c1nc(on1)[C@@H]2Cc3c([nH]c[nH+]3)CN2C(=O)C
|
|
254
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
255
|
Cc1c(c(n[nH]1)C)Sc2[nH]ncn2
|
|
256
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
257
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
258
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
259
|
CCS(=O)(=O)NCc1nnc(o1)C
|
|
260
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
261
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
262
|
CC1CC2CC3N(C2NN1)N=CCC3
|
|
263
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
264
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
265
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
266
|
c1ccc2c(c1)nnn2C3=CCCO3
|
|
267
|
CC(=O)OC1C2C(C(NN1)[O-])SCCS2
|
|
268
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
269
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
270
|
|
|
271
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
272
|
c1ccc(cc1)c2c(non2)/N=c/3c(nss3)Cl
|
|
273
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
274
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
275
|
c1ccc2c(c1)nnn2c3cnccn3
|
|
276
|
c1ccc2c(c1)nc3n2CCC(=C3C(=O)Nc4ccccn4)[O-]
|
|
277
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
278
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
279
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
280
|
CNC(=O)c1c2c(c(=O)oc1N)nns2
|
|
281
|
|
|
282
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
283
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
284
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
285
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
286
|
c1cc(oc1)c2ccnc(n2)N
|
|
287
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
288
|
CC1=NC2=NC(=NC(=O)C2=C1Sc3ccccn3)[NH-]
|
|
289
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
290
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
291
|
c1cc2c(c(n[nH]c2=O)[O-])nc1
|
|
292
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
293
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
294
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
295
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
296
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
297
|
Cc1c(nnn1C)c2csnn2
|
|
298
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
299
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
300
|
CCC1NN2C(=O)NC(NC2S1)SC
|
|
301
|
CCNC(=O)Oc1c2ccccc2on1
|
|
302
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
303
|
Cc1c(nn2c(=O)c(nnc2n1)C)[O-]
|
|
304
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
305
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
306
|
Cc1c(non1)c2ccn[nH]2
|
|
307
|
CC(=O)N1CC=CC[C@@]2([C@H]1CCC2)C(=O)[O-]
|
|
308
|
c1cc(oc1)c2c(nns2)C(=O)N
|
|
309
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
310
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
311
|
Cc1nc(no1)c2ncon2
|
|
312
|
c1ccc(cc1)c2cncnc2
|
|
313
|
Cc1cccc(n1)n2cc(c(nc2=O)[O-])C#N
|
|
314
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
315
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
316
|
c1csc(n1)n2cc(c(=O)[nH]c2=O)C#N
|
|
317
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
318
|
C1CCn2c(nnn2)[C@@H](C1)C(=O)[O-]
|
|
319
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
320
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
321
|
Cc1cc(=O)n2n1c3ccccc3nn2
|
|
322
|
c1ccc(cc1)C(=O)Nc2nc(ns2)[O-]
|
|
323
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
324
|
Cc1nnc(o1)CSc2ccccn2
|
|
325
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
326
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
327
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
328
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
329
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
330
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
331
|
Cc1cc(nc(n1)Nc2ncc(n2c3ccccc3)O)C
|
|
332
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
333
|
c1ccc2c(c1)nc(c3n2nnn3)N
|
|
334
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
335
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
336
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
337
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
338
|
Cc1c(c(n(n1)C)Oc2cccnc2)N
|
|
339
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
340
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
341
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
342
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
343
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
344
|
CC(=O)NCCn1cccn1
|
|
345
|
CN1NC(NN1)C2[N-]NNN2
|
|
346
|
CN(C)c1nnc(o1)CC#N
|
|
347
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
348
|
CC1(Nc2ccccc2-c3n1nnn3)C
|
|
349
|
C(CS(=O)(=O)[O-])C1[N-]NNN1
|
|
350
|
c1nc(c2n1CC(=O)NC2)C(=O)N
|
|
351
|
C1CNC(=O)[C@@H]2[C@H]1CNC2=O
|
|
352
|
c1ccc-2c(c1)Cn3c2nnn3
|
|
353
|
C1CN2C=Nc3c(c(no3)C(=O)[O-])C2=N1
|
|
354
|
Cc1cc(nc(n1)Sc2ccc(nn2)Cl)C
|
|
355
|
C(#N)c1c(c2c(nc1N)non2)N
|
|
356
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
357
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
358
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
359
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
360
|
|
|
361
|
CSc1nnc2n1[nH]cn2
|
|
362
|
c1cc(sc1)c2c(n[n-]n2)C#N
|
|
363
|
CC(=O)NCc1ccccn1
|
|
364
|
c1cc(oc1)[C@@H]2C[C@@H]2C(=O)[O-]
|
|
365
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
366
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
367
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
368
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
369
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
370
|
c1cc(cnc1)CCNCc2cscn2
|
|
371
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
372
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
373
|
|
|
374
|
|
|
375
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
376
|
C[S@@](=O)c1ccc(nn1)n2cccc2
|
|
377
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
378
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
379
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
380
|
Cc1cnc(o1)Cn2cccn2
|
|
381
|
CN(C)C(=O)Nc1cnns1
|
|
382
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
383
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
384
|
CSc1nc2ncnn2c(n1)[O-]
|
|
385
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
386
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
387
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
388
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
389
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
390
|
CC(C)S(=O)(=O)c1c(c(=O)[nH]s1)c2ccccc2
|
|
391
|
c1ccc(cc1)NCc2cscn2
|
|
392
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
393
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
394
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
395
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
396
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
397
|
CC1(c2c([nH]c(=O)s2)Sc3c1sc(n3)[O-])C
|
|
398
|
c1(nnc(s1)C(=O)N)C(=O)N
|
|
399
|
CCNc1nnc(s1)Cn2c(cc(n2)C)C
|
|
400
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
401
|
CCOC1NNC(S1)CSC2CCCCN2
|
|
402
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
403
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
404
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
405
|
CC[C@H]1[C@H](C(=O)N1)NC(=O)OC
|
|
406
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
407
|
CC1[NH]C(=O)C(CN1)CC=C
|
|
408
|
CCCc1nncn1NC(=O)OCC
|
|
409
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
410
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
411
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
412
|
Cc1nc(cs1)c2nnc(o2)N
|
|
413
|
Cc1cc2c3nnnn3cnc2s1
|
|
414
|
Cc1c(non1)NCNc2c(non2)C
|
|
415
|
CC=C(C(=O)N/C1=C/c2ccccn2)C
|
|
416
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
417
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
418
|
c1nc([nH]n1)c2c(non2)N
|
|
419
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
420
|
CC(=O)Oc1ccc(nn1)[O-]
|
|
421
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
422
|
Cc1c(c(=O)[nH]c(n1)[O-])S(=O)(=O)CCC(=O)[O-]
|
|
423
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
424
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
425
|
CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
|
|
426
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
427
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
428
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
429
|
c1cnn(c1)c2cncc(n2)Cl
|
|
430
|
c1c(c2ncnc(n2n1)[O-])C#N
|
|
431
|
c1cc(oc1)C(=O)c2nccs2
|
|
432
|
CNC1C(=O)NC(SN1)SC2NC(=O)C(NS2)NC
|
|
433
|
c1cnc(=O)n2c1SCC2=O
|
|
434
|
CNc1nnc(s1)Sc2nnc(s2)NC
|
|
435
|
Cc1ncc(s1)CN(C)[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
436
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
437
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
438
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
439
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
440
|
c1[nH]c2c(n1)c(nnc2N)N
|
|
441
|
CC1NC2C(NCNC2NN1)N
|
|
442
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
443
|
Cc1cc(no1)CSc2ccccn2
|
|
444
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
445
|
CN(C)C(=O)N=c1[nH]c2ccccc2[nH]1
|
|
446
|
c1ccc2c(c1)[C@@H]3Cc4cccnc4[C@]2(C3)O
|
|
447
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
448
|
CN(c1ccc(cc1)OC)c2c3c(ccn2)ccs3
|
|
449
|
CC1C(OC(N1)NC(=O)N(C)C2CC2)C
|
|
450
|
c1nnc2n1NC(=O)CCS2
|
|
451
|
c1cc2c(nc1)nc(s2)Cl
|
|
452
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
453
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
454
|
Cc1cn(cn1)c2cccnc2
|
|
455
|
c1c[nH]c2c1c(cnc2)Cl
|
|
456
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
457
|
C12C(NC(S1)C(=O)[O-])SC(N2)C(=O)[O-]
|
|
458
|
CCc1c(nnc(c1C#N)[O-])CC
|
|
459
|
c1cc(nnc1)Br
|
|
460
|
C1NC2C(C(N1)N)SNC2[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
461
|
Cc1c2cc3c(nc2on1)C(=O)OCC3
|
|
462
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
463
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
464
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
465
|
Cc1nc(no1)CSc2nncs2
|
|
466
|
Cn1ccnc1CSc2nncn2C3CC3
|
|
467
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
468
|
CSc1nnc(o1)Cn2cnc(c2Cl)Cl
|
|
469
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
470
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
471
|
Cc1c2cnnc(c2c([nH]1)C)[O-]
|
|
472
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
473
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
474
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
475
|
CCc1cnc([nH]1)NC(=O)OC(C)(C)C
|
|
476
|
CC(=O)Nn1cnc2c1cccc2
|
|
477
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
478
|
c1ccn(c1)c2c[nH]c(=O)[nH]c2=O
|
|
479
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
480
|
c1ccc2c(c1)c-3nncc3co2
|
|
481
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
482
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
483
|
CCOC(=O)c1nccnn1
|
|
484
|
c1c(cn[nH]1)I
|
|
485
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
486
|
|
|
487
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
488
|
c1cn2cc(nc2cn1)C(=O)[O-]
|
|
489
|
c1ccnc(c1)SCCn2cccn2
|
|
490
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
491
|
c1[nH]c(c(n1)C(=O)[O-])C(=O)[O-]
|
|
492
|
Cc1[nH]c(c(n1)Cl)Cl
|
|
493
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
494
|
|
|
495
|
Cc1c(snn1)C(=O)N=[S@](=O)(C)c2ccccc2
|
|
496
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
497
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
498
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
499
|
CS(=O)(=O)c1c(c(on1)c2cccs2)C#N
|
|
500
|
CC(C)(C)c1cnnc(n1)N
|
|
501
|
Cc1cc(nc(n1)N=C2NCCN2)C
|
|
502
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
503
|
c1ccc-2c(c1)CCc3n2c(nn3)c4cccnc4
|
|
504
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
505
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
506
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
507
|
C1CNc2nc(nn2C1)C(=O)[O-]
|
|
508
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
509
|
Cc1cc(no1)c2nnc(o2)N
|
|
510
|
c1ccc(cc1)c2nccnn2
|
|
511
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
512
|
c1csc2n1c(=O)[nH]c(=O)n2
|
|
513
|
Cc1nnn(n1)Cc2nnnn2C
|
|
514
|
CSc1c2ccccc2nnn1
|
|
515
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
516
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
517
|
Cc1c(sc(n1)Cc2nc(cs2)O)C
|
|
518
|
c1csc2c1n3c(c(cn3)C(=O)[O-])nc2Cl
|
|
519
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
520
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
521
|
Cc1nc2c(s1)c(nnc2[O-])c3ccco3
|
|
522
|
CC(C)N1Cn2c(nnc2SC1)c3ccccc3
|
|
523
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
524
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
525
|
Cc1cc(n(n1)C(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)C
|
|
526
|
c1ccc(cc1)c2nc3ccnn3c(n2)[O-]
|
|
527
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
528
|
Cn1ccnc1COc2ccc(cc2)N
|
|
529
|
Cc1ccc(c(c1)n2c(c(cn2)n3cncn3)O)C
|
|
530
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
531
|
C1=C[C@H]2[C@H]3C=C[C@@H]([C@@H]1C(=O)N2)NC3=O
|
|
532
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
533
|
C1C[C@@H](OC1)c2nnc(o2)N
|
|
534
|
CCCOn1c(nnn1)c2ccccc2
|
|
535
|
c1cc(c2c(c1)[nH]c(=O)o2)N
|
|
536
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
537
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
538
|
Cc1cc(nc(n1)C)n2cnc(n2)C#N
|
|
539
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
540
|
c12c(nnnc1snn2)O
|
|
541
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
542
|
COC(=O)CC1=Nc2nncn2C1=O
|
|
543
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
544
|
CC(C)(C)OC(=O)N1Cc2c(nc[nH]2)C1
|
|
545
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
546
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
547
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
548
|
CCOC(=O)Nc1c(n[nH]n1)Cl
|
|
549
|
c1ccc(cc1)[C@@H]2CC(=O)Nc3c2snc3C(=O)[O-]
|
|
550
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
551
|
c1ccc(cc1)Oc2nc3cnccn3c(=O)n2
|
|
552
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
553
|
c1ccc(cc1)CNc2c(non2)O
|
|
554
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
555
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
556
|
COC(=O)c1c(non1)n2cccc2
|
|
557
|
c1cc(cnc1)C(=O)c2ccco2
|
|
558
|
c1cc2c(nc1)[C@H](C(=O)O2)C#N
|
|
559
|
c1nnc2n1NC(=O)CS2
|
|
560
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
561
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
562
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
563
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
564
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
565
|
c1cc(oc1)c2cc(on2)N
|
|
566
|
C1CCC(CC1)COC(=O)N2C[C@@H]3CC[C@H]2CC(=O)O3
|
|
567
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
568
|
Cc1cnn(c1)C(=O)c2c(noc2C)C
|
|
569
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
570
|
C[S@@](=NC(=O)c1ccccc1)(=O)c2ccsc2
|
|
571
|
C/C(=N/c1nnc2n1NC(=C)C=C([NH2+]2)[O-])/O
|
|
572
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
573
|
c1ccc2c(c1)C[C@@H]2c3ccccn3
|
|
574
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
575
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
576
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
577
|
CCSc1nnc(s1)N/C(=C/Sc2ncccn2)/[O-]
|
|
578
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
579
|
COC(=O)Cc1cccnn1
|
|
580
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
581
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
582
|
c1cc(sc1)Sc2c(nccn2)C#N
|
|
583
|
C=CCNc1cn[nH]c(=O)n1
|
|
584
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
585
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
586
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
587
|
CSC1C2C(NC(N1)SC)N=CCN2
|
|
588
|
CCOC1NC(C(NN1)F)[O-]
|
|
589
|
COC(=O)c1c(ccs1)n2cc(c(=O)[nH]c2=O)C#N
|
|
590
|
c1ccc2c(c1)c3c(cn2)c(n[nH]3)N
|
|
591
|
Cc1nnc(o1)C(=O)Nc2ccccc2
|
|
592
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
593
|
C1COCCN1c2nnc(o2)N
|
|
594
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
595
|
c1cc(oc1)[C@@H]2CCCN2S(=O)(=O)c3c[nH]cn3
|
|
596
|
CCn1cc(cn1)[C@@H]2C[C@@H](N(S(=O)(=O)N2)C)C(=O)[O-]
|
|
597
|
c1cscc1c2nnc(o2)N
|
|
598
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
599
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
600
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
601
|
Cn1c(=O)c2ccccc2nn1
|
|
602
|
CC(=O)N[C@@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
603
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
604
|
c1ccc2c(c1)n(c(=O)o2)Cc3ccon3
|
|
605
|
CNc1c(ncnn1)C(=O)[O-]
|
|
606
|
Cc1cc(nc(n1)Nn2c(cc(c(c2=O)C(=O)C)[O-])C)C
|
|
607
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
608
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
609
|
CN(C)c1nc([nH]/c(=NS(=O)(=O)c2ccc(cc2)Cl)/n1)N
|
|
610
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
611
|
c1(c(n[nH]n1)C(=O)[O-])C(=O)[O-]
|
|
612
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
613
|
C1CCC2C(C1)C(=O)N3C(S2)NC(N3)N
|
|
614
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
615
|
c1ccc(cc1)OCc2nnco2
|
|
616
|
c1ccc2c(c1)[nH]c(=O)n2c3nc4c(o3)cccn4
|
|
617
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
618
|
c1c(n2c(n1)CCC2)C(=O)[O-]
|
|
619
|
c1cc2cc(sc2nc1)CO
|
|
620
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
621
|
c1cnnc(n1)c2nccnn2
|
|
622
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
623
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
624
|
CC1C(NC2C(N1)C(NNC2N)N)C
|
|
625
|
c1cn2c(=O)c3cncnc3sc2n1
|
|
626
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
627
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
628
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
629
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
630
|
c1ccc-2c(c1)CCc3c2nns3
|
|
631
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
632
|
Cc1cc(=O)n2c(n1)nc(c(n2)C)[O-]
|
|
633
|
c1ccc2c(c1)[C@@H](C(=O)N2)[C@@H]3C(=O)Nc4ccccc4S3
|
|
634
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
635
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
636
|
c1cc(ccc1C(=O)c2nnc(s2)Cl)Cl
|
|
637
|
Cc1cnc(c(n1)Cl)C#N
|
|
638
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
639
|
c1cc(oc1C(=O)[O-])S(=O)(=O)[O-]
|
|
640
|
c1cc2c(cc1S(=O)(=O)[O-])nc[nH]2
|
|
641
|
c1ccc2c(c1)nc3n2nnc4c3cn[nH]4
|
|
642
|
CCC(=O)Nc1c(non1)N
|
|
643
|
c1c2n(nc1C(=O)[O-])CCOC2
|
|
644
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
645
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
646
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
647
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
648
|
CC(=O)N(C)c1cccnc1
|
|
649
|
Cc1cs/c(=NC)/n1NC(=O)Nc2ccc(cc2)Cl
|
|
650
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
651
|
c1c(snn1)c2csnn2
|
|
652
|
c1nncn1c2[n-]c(nn2)N
|
|
653
|
Cc1ccc2c(c1)n3c([nH+]2)NCCC3
|
|
654
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
655
|
c1ccnc(c1)c2c[nH]nc2N3CCOCC3
|
|
656
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
657
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
658
|
CCOC(=O)c1c2c(c(s1)C)c(nnn2)[O-]
|
|
659
|
Cc1cc(on1)c2c(nco2)C(=O)[O-]
|
|
660
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
661
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
662
|
c1ccc(cc1)N2CCCn3c4ccccc4nc3C2
|
|
663
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
664
|
c1ccc(cc1)c2nncnn2
|
|
665
|
c1ccc2c(c1)Nc3c(cc(nn3)Cl)S2
|
|
666
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
667
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
668
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
669
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
670
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
671
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
672
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
673
|
Cc1c(c(n(n1)Cc2nc(cs2)C(C)(C)C)C)Br
|
|
674
|
c1csc2c1C(=O)N(CCC2)CC(=O)[O-]
|
|
675
|
Cnccs/c1=NC(=O)Cc2cccs2
|
|
676
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
677
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
678
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
679
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
680
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
681
|
c1ccc2c(c1)nnn2S(=O)(=O)c3ccco3
|
|
682
|
CC1CCCCC1NC(=C2C(=O)OC(OC2=O)(C)C)[O-]
|
|
683
|
CN(C)C(=O)Sc1cnc2ncnn2c1
|
|
684
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
685
|
CC1C(C(ON1)C)CCC2NNC(O2)N
|
|
686
|
Cc1nnc(s1)SCSc2ccccn2
|
|
687
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
688
|
CCOC(=O)c1c2n(c3c1ncnc3SC)CCC2
|
|
689
|
c1ccc2c(c1)C(=O)NS(=O)(=O)c3ccccc3S2
|
|
690
|
CCn1c(nn(c1=O)C)C(=O)[O-]
|
|
691
|
|
|
692
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
693
|
c1cnn(c1)Cc2cnc(s2)Cl
|
|
694
|
Cc1cc(no1)C(=O)N=[S@@](=O)(C)c2ccccc2
|
|
695
|
CN(C)c1nnnn1c2ncccn2
|
|
696
|
C1CNNCC1CCC(=O)[O-]
|
|
697
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
698
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
699
|
Cc1c(non1)OCCOc2c(non2)C
|
|
700
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
701
|
c1ccc2c(c1)nc(o2)c3nc4ccccc4s3
|
|
702
|
C[C@@H]1[C@@H](NC2C(CNCN2)N1)C
|
|
703
|
CCOC1NC(=O)N(S1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
704
|
c1ncn(n1)Cn2cncn2
|
|
705
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
706
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
707
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
708
|
Cc1c(=O)n2ccccc2nn1
|
|
709
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
710
|
c1ccc-2c(c1)CCc3c2n[nH]c3
|
|
711
|
Cc1c(c(no1)C(=O)OC)c2cc[nH]n2
|
|
712
|
CCn1cc(cn1)c2cc[nH]n2
|
|
713
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
714
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
715
|
Cn1c(nnn1)Sc2cccc(c2C#N)F
|
|
716
|
c1ccc2c(c1)c3c(c(no3)N)c(=O)[nH]2
|
|
717
|
c1cc2c3ccnn3nnc2cc1Cl
|
|
718
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
719
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
720
|
CCSC1C2C(CN[NH]2)NCN1
|
|
721
|
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
|
|
722
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
723
|
c1(c(n[nH]n1)Cl)c2nc([n-]n2)Cl
|
|
724
|
COc1cc(ncn1)N2CCNC(=O)C2
|
|
725
|
Cc1cc(no1)c2nnnn2c3ccc(cc3)F
|
|
726
|
CC(C)CN(Cc1cnc(nc1)COC)Cc2cnn(c2)C
|
|
727
|
CCSc1nncn1Cc2ccco2
|
|
728
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
729
|
C1CCC(CC1)CC2CCC[NH]2
|
|
730
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
731
|
C(#N)c1c(non1)Oc2c(non2)C#N
|
|
732
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
733
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
734
|
c1ccc(cc1)Oc2nc3ccc(nn3c(=O)n2)Cl
|
|
735
|
c1ccc(cc1)CNc2cnoc2
|
|
736
|
Cc1c(oc(n1)SCC(=O)[O-])C
|
|
737
|
Cc1c(=O)[nH]c(nn1)n2c(=O)ccc(n2)[O-]
|
|
738
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
739
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
740
|
c1nc([nH]n1)/N=C(/NC(C(F)(F)F)C(F)(F)F)[O-]
|
|
741
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
742
|
c1c[nH]c2c1c(ncc2)Cl
|
|
743
|
|
|
744
|
Cn1c(ccn1)c2nnc(n2C)SC
|
|
745
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
746
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
747
|
c1ccc2c(c1)[C@@H](C(=O)N2)c3c(cc(cn3)C(F)(F)F)Cl
|
|
748
|
c1ccnc(c1)C(=O)c2ccc[nH]2
|
|
749
|
C1CNC2C3CNC4C(C3NN2C1)CCS4
|
|
750
|
Cn1c(=O)ccn(c1=O)C/C(=N/c2[nH]ncn2)/[O-]
|
|
751
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
752
|
C[C@@H](c1ccccc1)N(C)Cc2nccn2C
|
|
753
|
Cn1c(nnn1)/N=C(/c2ccc(o2)Br)[O-]
|
|
754
|
c1cnc2c(n1)cc(s2)C(=O)[O-]
|
|
755
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
756
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
757
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
758
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
759
|
c1cc(cc2c1cc[nH]2)Cl
|
|
760
|
CC1=C(C(=O)NC2=NNC(=O)[C@@H]12)CCC(=O)[O-]
|
|
761
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
762
|
Cc1cc(c(nn1)[O-])c2nc(cs2)C
|
|
763
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
764
|
CSc1nc2c(cc(s2)c3ccccc3)nn1
|
|
765
|
CCOC(=O)N=[S@@](=O)(c1ccccc1)N
|
|
766
|
Cc1c(c(on1)C)Cn2ccccc2=O
|
|
767
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
768
|
[H]/N=c/n(ccs1)CC(=O)[O-]
|
|
769
|
Cn1cccc1c2csc(n2)c3ccco3
|
|
770
|
CC1NC(ON1)C2CNCCN2
|
|
771
|
C(CS(=O)(=O)N)NC(=O)N
|
|
772
|
C/C=C/c1nnnn1[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
773
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
774
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
775
|
CCc1nnc(s1)[N-]S(=O)(=O)N2CCCCC2
|
|
776
|
CCS(=O)(=O)NCCn1cccn1
|
|
777
|
c1cc(oc1)c2cc(no2)CO
|
|
778
|
C[C@@H](c1cccnc1)C(=O)[O-]
|
|
779
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
780
|
c1cncc2c1sc(n2)Cl
|
|
781
|
CCn1c(c(nn1)C(=O)N)N
|
|
782
|
CN1C(=O)C(C(CN1)SC2NC3CCCCC3S2)CL
|
|
783
|
Cn1ccnc1NCc2ccco2
|
|
784
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
785
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
786
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
787
|
c1c[nH]nc1c2nccs2
|
|
788
|
c1cc(cc(c1)Cl)n2c(=O)c3c(nc2[O-])non3
|
|
789
|
CCCn1c2=N[C@@H](C(=c2c(=O)[nH]c1=O)[O-])C
|
|
790
|
[H]/N=C/NC(=[NH2+])C(C(=N1)[O-])(CC)CC
|
|
791
|
c1ccc(cc1)CN2C=N[C@@H]3[C@@H]2N=C(N=C3N)Cl
|
|
792
|
COC(=O)Oc1c(c2c(s1)nc3ccccc3n2)N
|
|
793
|
CCn1c(nnc1SC)c2c(=O)ccn(n2)c3ccccc3
|
|
794
|
c1cc(oc1)c2cc[nH]c(=O)c2C#N
|
|
795
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
796
|
c1ccn(c1)c2nncs2
|
|
797
|
CSc1[nH]c(=O)c2c(n1)CCS2
|
|
798
|
|
|
799
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/Nc2nccs2)[O-]
|
|
800
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
801
|
CC(C)(C)C(=O)/N=c/1
c2n(s1)ccs2
|
|
802
|
Cc1cc(nc(n1)SC)n2ccc(=O)[nH]c2=O
|
|
803
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
804
|
Cc1cc2c(cc1C)n(cn2)c3c(=O)n(c(=O)n(n3)C)C
|
|
805
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
806
|
|
|
807
|
[H]/N=c/1[nH]nc2c(n1)-c3ccccc3C2=O
|
|
808
|
Cc1c(sc(n1)Cn2cnc(c2Cl)Cl)C(=O)C
|
|
809
|
|
|
810
|
Cc1cc(sn1)NC(=O)c2ccco2
|
|
811
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
812
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
813
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
814
|
Cc1cc(no1)c2c(c(no2)C)CO
|
|
815
|
CN(C)/C=C/C(=O)N=C(S1)/C=C(/c2cccs2)[O-]
|
|
816
|
CCOC(=O)c1nc2c(s1)NCCCC2
|
|
817
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
818
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
819
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
820
|
c1c(=O)nc2n(n1)c(cs2)N
|
|
821
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
822
|
C[C@@H]1CN2C(C(C(=O)[NH]C2=O)C3CCCCC3)O1
|
|
823
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
824
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
825
|
CCc1nnc(o1)COC(=O)cc([n-]s/c2=NC)C
|
|
826
|
c1ccc(cc1)OCc2[nH]c(c/c(=N/c3ccc(cc3)Cl)/n2)O
|
|
827
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
828
|
Cc1cc(nc(n1)n2c(=O)ccc(n2)[O-])C
|
|
829
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
830
|
C1Cn2c(=O)[nH]c(=O)nc2N1
|
|
831
|
c1cnn(c1)c2cncc(n2)N3CCCC3
|
|
832
|
c1ccc2c(c1)-n3cnnc3CCS2
|
|
833
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
834
|
c1ccc(cc1)Sc2cnns2
|
|
835
|
Cc1cc(nc(n1)Nc2cc(on2)C)C#N
|
|
836
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
837
|
COC1NC2CCCCC2NN1
|
|
838
|
CCSc1nc(ns1)[O-]
|
|
839
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
840
|
C1CC2C3C(C(NNN3)[O-])SC2NC1
|
|
841
|
c1ccc2c(c1)c3c(c(=O)o2)nc[nH]3
|
|
842
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
843
|
c1csc2c1ncnc2n3ccnc3
|
|
844
|
CN1CNC2C1NNNC2[O-]
|
|
845
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
846
|
C1CNCC2C1NC(C(C2)C3=CCCCC3)N
|
|
847
|
CCOC(=O)NC1[NH]N(C(=O)N1)C2CCCCN2
|
|
848
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
849
|
c1cc(cnc1)[C@@]2(CCC=C2)O
|
|
850
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
851
|
C1COCCN1C2C(=O)NC(SN2)N
|
|
852
|
Cc1cc(cs1)Oc2c[nH]c(=O)nc2
|
|
853
|
c1cc(cnc1)C2=C(N3[C@@H](C2)CC3=O)C(=O)[O-]
|
|
854
|
CC(C)NC(=O)CSc1nnns1
|
|
855
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
856
|
c1ccnc(c1)SCc2c(snn2)Cl
|
|
857
|
c1cnn2c1c(=O)n(nc2)CC(=O)[O-]
|
|
858
|
c1cc(sc1)c2[n-]nnn2
|
|
859
|
c1ccc(c(c1)N)Sc2cc(nnc2Cl)Cl
|
|
860
|
c1ccc(c(c1)C(=O)[O-])Sc2c(nccn2)Cl
|
|
861
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
862
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2cccn2C)[O-]
|
|
863
|
c1nc(no1)c2c(non2)N
|
|
864
|
|
|
865
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
866
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
867
|
c1(c(non1)N)c2nnc(o2)N
|
|
868
|
c1csc2c1n3cn[nH]c(=O)c3c2
|
|
869
|
c1cc2ccn(c2nc1)CC(=O)[O-]
|
|
870
|
c1nc(nc2n1c3c(n2)CCC3)N
|
|
871
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
872
|
c1c(cnc2c1oc(=O)[nH]2)Br
|
|
873
|
c1ccc(cc1)c2c(=O)c3cscc3[nH]c2[O-]
|
|
874
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
875
|
C1CCc2c([nH]nc2O)CC1
|
|
876
|
C(c1c(non1)N)c2c(non2)N
|
|
877
|
Cc1nnc(s1)Sc2c(n(c(=O)[nH]c2=O)C)N
|
|
878
|
COC1CC2C3C(C1)SCC(=O)N3NN2
|
|
879
|
c1cc2c(nc1)nsc2Br
|
|
880
|
CCCCCCC1CN[NH]N1
|
|
881
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
882
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
883
|
CC1C(N2C(NCN2)NN1)N(C)C3CCCCC3
|
|
884
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
885
|
Cn1cc(cn1)c2c(nco2)C(=O)[O-]
|
|
886
|
CC1NC(ON1)C2CCSC2
|
|
887
|
COC(=O)c1c(c2c([nH]c1=O)scn2)[O-]
|
|
888
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
889
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
890
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
891
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
892
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
893
|
CCC(=O)Nc1nnn(n1)C
|
|
894
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
895
|
c1c(nc(cn1)Cl)n2cncn2
|
|
896
|
c1ccc2c(c1)nnn2C3=NCCCC3
|
|
897
|
|
|
898
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
899
|
Cc1csc(n1)c2cn(c(=O)[nH]c2=O)C
|
|
900
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
901
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
902
|
c1c2n(nn1)CCn3c(cnn3)S2
|
|
903
|
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
|
|
904
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
905
|
CNC(=O)c1c(n(nn1)C)Sc2c(nns2)C(=O)NC
|
|
906
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
907
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
908
|
c1ccc(cc1)c2nnc3n2-c4ccccc4OC3
|
|
909
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
910
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
911
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
912
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
913
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
914
|
c1ccc2c(c1)N=C([C@@H](O2)CC(=O)[O-])O
|
|
915
|
CC(C)(C(=O)[O-])n1cnnn1
|
|
916
|
COc1nc(nc(n1)Sc2ccc(cc2)N)OC
|
|
917
|
CC1(O[C@@H]2[C@@H]3C=C[C@H]([C@@H]2O1)C(=C3C(=O)[O-])C(=O)OC)C
|
|
918
|
Cc1nc(on1)CNS(=O)(=O)C
|
|
919
|
CCNC(=O)[C@@H](C)n1cnnc1C#N
|
|
920
|
c1cc(nnc1n2ccnc2)[O-]
|
|
921
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
922
|
c1ccc-2c(c1)-c3cccc4c3c2n[nH]c4=O
|
|
923
|
C1C2C(NC(N1)[O-])SNN2
|
|
924
|
c1ccnc(c1)C#CC2=CCCC2
|
|
925
|
c1c(nc2c(n1)c(ncn2)[O-])[O-]
|
|
926
|
c1cc(oc1)c2nc(on2)CO
|
|
927
|
C1CCC2C(C1)[C@H](CO2)NC3NCCCN3
|
|
928
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
929
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
930
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
931
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
932
|
c1ccc2c(c1)-c3c(c[nH]n3)CO2
|
|
933
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
934
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
935
|
CC(C)Nc1n[nH]c(=O)n1C(C)C
|
|
936
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
937
|
c1csc(n1)n2cnnc2
|
|
938
|
c1ccc(cc1)c2nc(on2)c3csnn3
|
|
939
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
940
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
941
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
942
|
COc1c2cn[nH]c2ncn1
|
|
943
|
CC1=CC(=Nn2c(nnn2)N1)C
|
|
944
|
|
|
945
|
C1CCC2C(C1)-C3C(CNCN3)S(=O)(=O)CO2
|
|
946
|
c1cc(cnc1)N2CC[C@H]3C[NH2+][C@H]3C2
|
|
947
|
c1cc(oc1)c2nnc(s2)N
|
|
948
|
CC1(COC(=O)C(=C1C(=O)[O-])C(=O)[O-])C
|
|
949
|
Cc1c(nnn1c2nc(nc(n2)OC)N(C)C)C(=O)C
|
|
950
|
C1C2C(NNNC2[O-])N(N1)[C@@H]3CCCO3
|
|
951
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
952
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
953
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
954
|
c1cc2c(nc1)nc(o2)N3CCCC3
|
|
955
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
956
|
CNC1C2C(C3CCCCC3S2)NNN1
|
|
957
|
CC(=O)Nc1nnc(s1)c2c(non2)N
|
|
958
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
959
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
960
|
c1ccc(cc1)n2c3c4ccccc4c(=O)oc3nn2
|
|
961
|
Cc1c(nccn1)c2ccn[nH]2
|
|
962
|
c1csc2c1c(ncn2)n3ccnc3
|
|
963
|
Cc1nc(on1)[C@@H](C)Nc2ccc(nc2)OC
|
|
964
|
CC1C(NNC(C1C#N)SC2CC(CCC2F)F)C
|
|
965
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
966
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
967
|
CC(=O)c1ccc(c(c1)F)Sc2nncs2
|
|
968
|
C=CCOc1cccnc1N
|
|
969
|
CC(C)NC(=O)CSc1cnnn1c2ccccc2F
|
|
970
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
971
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
972
|
Cc1c2c(ncnc2on1)N
|
|
973
|
C1Cc2c(nnc(c2C(F)(F)F)[O-])C1
|
|
974
|
CSC1C2C(CCN1)N[NH]N2
|
|
975
|
Cc1c(c(n[nH]1)O)[C@@H]2c3ccccc3C(=O)O2
|
|
976
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
977
|
c1ccc(cc1)OCc2[n-]nnn2
|
|
978
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
979
|
CN(C)C(=O)Nc1[n-]nnn1
|
|
980
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
981
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
982
|
c1cc(oc1)c2nnc3n2nc(cc3)Cl
|
|
983
|
|
|
984
|
Cc1cc(no1)c2nc(on2)C(C)(C)C
|
|
985
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
986
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
987
|
Cc1c(c(nc(=O)o1)[O-])c2ccccc2F
|
|
988
|
Cc1c(non1)NCn2cnnn2
|
|
989
|
COC(=O)Nc1/c(=N/C(=O)OC)/n(on1)[O-]
|
|
990
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
991
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
992
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
993
|
Cc1ncc(c(n1)N)CSc2nc(ns2)SC
|
|
994
|
c1cc(cnc1)CNCCc2ccco2
|
|
995
|
CN(C)c1nc(=O)n2c(n1)SCC2
|
|
996
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
997
|
|
|
998
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
999
|
c1c2c(nc(n1)N)CCCC2=O
|
|
1000
|
CCCOCCn1c2cc(ncc2nc(c1=O)Cl)Cl
|
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