(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
CCO/C(=C/C1=NC(=O)[C@@](C1)(C(F)(F)F)[O-])/[O-]
|
|
2
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
3
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
4
|
Cc1nnc(o1)CSc2nccn2C
|
|
5
|
CCn1cc(cn1)c2cc[nH]n2
|
|
6
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
7
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
8
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
9
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
10
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
11
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
12
|
CNC(=O)N/C=C/c1ccco1
|
|
13
|
CCS(=O)(=O)NCc1nnc(o1)C
|
|
14
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
15
|
Cc1cc(no1)c2nnc(o2)N
|
|
16
|
CC(C)Oc1cc(on1)C#N
|
|
17
|
Cc1csc(n1)c2nnc(o2)N
|
|
18
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
19
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
20
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
21
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
22
|
c1cc(ncc1C#N)NCc2nccs2
|
|
23
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
24
|
CCCNC(=O)Cc1nc[nH]n1
|
|
25
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
26
|
c1ccnc(c1)/C(=N/c2n[nH]nn2)/[O-]
|
|
27
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
28
|
C1[C@@H]2N(C1=O)[C@@H](/C(=C/CO)/O2)C(=O)[O-]
|
|
29
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
30
|
c1ccnc(c1)CCS(=O)(=O)[O-]
|
|
31
|
CCCCCCC1CN[NH]N1
|
|
32
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
33
|
c1ccc2c(c1)nn(n2)Cc3ccco3
|
|
34
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
35
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
36
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
37
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
38
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
39
|
c1ccnc(c1)SCc2ccco2
|
|
40
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
41
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
42
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
43
|
COC(=O)/C=c/c(=O)n2c(s1)ncn2
|
|
44
|
Cc1nnc(o1)CCNS(=O)(=O)C
|
|
45
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
46
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
47
|
CCS(=O)(=O)NCCn1cccn1
|
|
48
|
c1ccc(cc1)/C=C/c2nnc(o2)N
|
|
49
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
50
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
51
|
c1ccnc(c1)SCCn2cccn2
|
|
52
|
Cc1c(non1)OCCOc2c(non2)C
|
|
53
|
CC1CCCC(N1)C2[N-]NNN2
|
|
54
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
55
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
56
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
57
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
58
|
CC(=O)NC1=N[C@@]2([C@@H](c3ccccc3[C@@]2(N1)O)O)O
|
|
59
|
Cn1c(cc(n1)Oc2ccc(cn2)C(F)(F)F)C(F)(F)F
|
|
60
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
61
|
CCOCCOCOCC=C
|
|
62
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
63
|
Cc1cc(no1)CSc2nc(c(o2)C)C
|
|
64
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
65
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
66
|
|
|
67
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
68
|
c1ccn(c1)c2[n-]c(nn2)C(=O)[O-]
|
|
69
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
70
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
71
|
Cc1cnc(o1)Cn2cccn2
|
|
72
|
c1cc(oc1)c2ccnc(n2)N
|
|
73
|
c1cnc(cn1)c2nnc(o2)N
|
|
74
|
Cc1cnc(o1)CN2CCc3c2cccc3
|
|
75
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
76
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
77
|
Cn1ccnc1CSc2nncn2C3CC3
|
|
78
|
C1CCC(CC1)C(=O)NN2CCNN2
|
|
79
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
80
|
CCOC(=O)[C@@H]1CCC(=N1)c2ccc[nH]2
|
|
81
|
c1cnn(c1)Cn2cc(cn2)N
|
|
82
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
83
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
84
|
c1cc(oc1)CSc2nccs2
|
|
85
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
86
|
C=CCCOCOCCC=C
|
|
87
|
CC1(C=CN(C=C1)CCC(=O)OC)C
|
|
88
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
89
|
c1cc(oc(=O)c1)c2cccnc2
|
|
90
|
Cc1ccc(cc1)S(=O)(=O)[C@@H]2COC=N2
|
|
91
|
Cc1nc(cs1)c2nnc(o2)N
|
|
92
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
93
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
94
|
c1cc(sc1)CCNc2ncccn2
|
|
95
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
96
|
c1ccn2c(c1)n/c(=NC(=O)c3ccco3)/s2
|
|
97
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
98
|
Cc1c(non1)NCNc2c(non2)C
|
|
99
|
C(COCCOCCO)O
|
|
100
|
C/C(=C/1CCOC1=O)/Nc2[n-]nc(n2)C(F)(F)F
|
|
101
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
102
|
c1ccc(cc1)OCCS(=O)(=O)[O-]
|
|
103
|
|
|
104
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
105
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
106
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
107
|
Cc1nnc(o1)Nc2ccccc2
|
|
108
|
Cn1cc(cn1)NCc2ccco2
|
|
109
|
|
|
110
|
CCOC(=O)N=c1oc2ccccc2o1
|
|
111
|
c1ccc(cc1)Oc2ccccn2
|
|
112
|
|
|
113
|
c1ccc(cc1)Oc2nc3cnccn3c(=O)n2
|
|
114
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
115
|
CC(=O)NCc1ccccn1
|
|
116
|
c1cc(nnc1n2cnnn2)Cl
|
|
117
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
118
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
119
|
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
|
|
120
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
121
|
|
|
122
|
C=CCNc1cn[nH]c(=O)n1
|
|
123
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
124
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
125
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
126
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
127
|
CC(=O)Nc1nnc(s1)c2c(non2)N
|
|
128
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
129
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
130
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
131
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
132
|
c1coc(n1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
133
|
CC1CC(ON1)C(=O)C2CCCCC2
|
|
134
|
c1ccc(cc1)NCCn2cccc2
|
|
135
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
136
|
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)O
|
|
137
|
Cc1nnc(s1)N2CCOC2=O
|
|
138
|
Cn1ccnc1NCc2ccco2
|
|
139
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
140
|
Cc1ccc(nc1)n2cnnn2
|
|
141
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
142
|
CC(=O)O/C=C/CC(=O)OC
|
|
143
|
CN1NC(NN1)C2[N-]NNN2
|
|
144
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
145
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
146
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
147
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
148
|
C1CC(NNC1)/C=C/C2CCCO2
|
|
149
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
150
|
CC(=O)OCc1c2n(nn1)CCC2
|
|
151
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
152
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
153
|
CN(C)C(=O)Sc1cnc2ncnn2c1
|
|
154
|
CC(=O)NCC1CNCCN1
|
|
155
|
c1cc(oc1)c2cc(on2)N
|
|
156
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
157
|
|
|
158
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
159
|
CCCCCC(=O)OCC#C
|
|
160
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
161
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
162
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
163
|
CC(=O)NCCn1cccn1
|
|
164
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
165
|
c1ncn(n1)NCNn2cncn2
|
|
166
|
CCOC(=O)/[NH+]=c/cc(cc(o1)O)O
|
|
167
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
168
|
c1cc2cnn(c2nc1)[C@@H]3C[C@@H]([C@@H](O3)CO)O
|
|
169
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
170
|
[C@H]12[C@H]([C@@H]1C(=O)[O-])C(=O)N=C2[O-]
|
|
171
|
CCC(=O)OC/C=C/C=C/C
|
|
172
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
173
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
174
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
175
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
176
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
177
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
178
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
179
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
180
|
Cc1cc(no1)CSc2ccccn2
|
|
181
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
182
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
183
|
Cc1cnc(o1)COc2ccccc2
|
|
184
|
CC(=O)OC/C=C/OC(=O)C
|
|
185
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
186
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
187
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
188
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
189
|
CCOC(=O)c1nc(on1)C
|
|
190
|
C1COCCN1CCS(=O)(=O)[O-]
|
|
191
|
CCOC(=O)Cn1nnnn1
|
|
192
|
c1ccc(cc1)C2OCc3c(non3)CO2
|
|
193
|
Cc1nc(on1)c2c(non2)N
|
|
194
|
Cc1nnc(o1)CSc2ccccn2
|
|
195
|
C(#N)c1c(n[nH]n1)Br
|
|
196
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
197
|
CCc1nc(cs1)CSc2nccn2C
|
|
198
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
199
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
200
|
Cc1cc(=O)cc(o1)/C=C/c2ccnn2C
|
|
201
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
202
|
C1CC(OC1)CNC2=NCCO2
|
|
203
|
CCOC(=O)Nc1c(n[nH]n1)Cl
|
|
204
|
CCCC(=O)OCOC(=O)/C=C(C)/N
|
|
205
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
206
|
Cc1c[nH]nc1C(F)(F)F
|
|
207
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
208
|
Cn1ccc(=NC(=O)c2ccccc2)cc1
|
|
209
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
210
|
C=CCNC(=O)c1ccco1
|
|
211
|
c1ccc(cc1)Oc2ccc(nn2)[O-]
|
|
212
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
213
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
214
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
215
|
c1cc(oc1)c2cc(no2)CO
|
|
216
|
CCOC(=O)c1nnc(s1)C(C)(C)C
|
|
217
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
218
|
CS(=O)(=O)NCc1ccccn1
|
|
219
|
Cc1cc(ncn1)Nc2ccccc2
|
|
220
|
c1cnnc(n1)c2nccnn2
|
|
221
|
Cc1cc(no1)C(F)(F)F
|
|
222
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
223
|
CN(CCn1cccn1)c2ccccc2
|
|
224
|
c1ccc(cc1)/C=C/[C@@H](O)S(=O)(=O)[O-]
|
|
225
|
c1ccc(cc1)CO[C@@H]2C=CC=CO2
|
|
226
|
|
|
227
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
228
|
CS(=O)(=O)NCCOc1ccccc1
|
|
229
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
230
|
Cn1ccnc1COc2ccc(cc2)N
|
|
231
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
232
|
C1CCC(CC1)C2C3C(NO2)CCC3
|
|
233
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
234
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
235
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
236
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
237
|
c1cc(oc1)CNC(=O)n2ccnc2
|
|
238
|
Cc1nc(cs1)c2cc(no2)CO
|
|
239
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
240
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
241
|
c1cc(sc1)Cc2nc(c(o2)N)C#N
|
|
242
|
c1cc2c([nH]nc2Cl)nc1
|
|
243
|
C1CC(=O)O[C@@H]1c2nc(c(o2)N)C#N
|
|
244
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
245
|
C=CCOC1CCNC(N1)N
|
|
246
|
COC(=O)Cc1cccnn1
|
|
247
|
CCOC(=O)CC/C=C/C#C
|
|
248
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
249
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
250
|
Cc1c(=O)n2c(nn1)sc(n2)c3ccco3
|
|
251
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
252
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
253
|
CCc1c(nc(oc1=O)OCC)[O-]
|
|
254
|
Cc1cc(=O)n2c(n1)sc(n2)Sc3ncnn3N
|
|
255
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
256
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
257
|
CCOC(=O)/N=c/1ccccn1[O-]
|
|
258
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
259
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
260
|
Cc1cc(no1)C(=O)N=[S@@](=O)(C)c2ccccc2
|
|
261
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
262
|
c1cc(oc1)C(=O)/C=C/2C(=O)NCCN2
|
|
263
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
264
|
|
|
265
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
266
|
c1ccc(cc1)CNc2ncco2
|
|
267
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
268
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
269
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
270
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
271
|
c1ccc(cc1)S(=O)(=O)NCc2nccs2
|
|
272
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
273
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
274
|
|
|
275
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
276
|
c1con2c1nc(c2)C(=O)[O-]
|
|
277
|
COC(=O)[C@@H]1[C@H]2C=CO[C@@H]2O1
|
|
278
|
c1cnn(c1)CCSc2nncs2
|
|
279
|
CCCOSOCCC
|
|
280
|
Cc1cc(c(nn1)[O-])c2nc3ccccc3n2C
|
|
281
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
282
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
283
|
CCOc1cc(c(o1)C)c2ccccc2
|
|
284
|
CC(=O)Oc1ccc(nn1)[O-]
|
|
285
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
286
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
287
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
288
|
c1ccc(cc1)C(=O)c2ncco2
|
|
289
|
C[C@H]1[C@@H]([C@H](C=CO1)O)OCc2ccccc2
|
|
290
|
CC(C)c1c(nccn1)OC
|
|
291
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
292
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
293
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
294
|
CCOC(=O)c1cccnn1
|
|
295
|
Cc1cc(nc(n1)Nc2cc(on2)C)C#N
|
|
296
|
CC1C(OC(N1)NC(=O)N(C)C2CC2)C
|
|
297
|
CC#CC(=O)COC/C(=C/C=C)/C
|
|
298
|
CCOC(=O)Cc1coc(n1)C
|
|
299
|
c1ccc(cc1)[C@H]2C[C@](N=C(N2)N)(C(F)(F)F)O
|
|
300
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
301
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
302
|
c1cc(oc1)COCCC#N
|
|
303
|
CC1=C([C@@H]2CCO[C@@H]2O1)C(=O)OC
|
|
304
|
c1ccc(cc1)OCCn2ccnc2
|
|
305
|
COC(=O)NS(=O)(=O)OC
|
|
306
|
C1CCC(CC1)C2=N[C@@H]3C4CCCCC4[C@H]2O3
|
|
307
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
308
|
CNCC(=N/C1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
309
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
310
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
311
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
312
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
313
|
c1ccc(cc1)CNc2cnccn2
|
|
314
|
c1cc(nnc1n2cncn2)[O-]
|
|
315
|
CN(C)c1nc(nc(n1)N)CN2CCNC(=O)C2
|
|
316
|
CNC1CNC2CCCCC2N1
|
|
317
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
318
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
319
|
CCOC(=O)C[C@@H](CF)O
|
|
320
|
c1cc(oc1)c2nsc(=O)o2
|
|
321
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
322
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
323
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
324
|
C[C@@]1(COC(=N1)COc2ccccc2)CO
|
|
325
|
C1NC([NH]N1)NC2=NCCO2
|
|
326
|
c1[nH]c(c(n1)C(=O)[O-])C(=O)[O-]
|
|
327
|
c1ccc2c(c1)c(n[nH]2)n3cccc3
|
|
328
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
329
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
330
|
c1cc(cnc1)CS(=O)(=O)N
|
|
331
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
332
|
C#C[C@@]1(CC[C@H]2CO[C@@H]1O2)O
|
|
333
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
334
|
c1ccnc(c1)Nc2cccs2
|
|
335
|
Cc1nc(cs1)[C@@H]2COc3ccccc3O2
|
|
336
|
CCOC(=O)Cc1[nH]ncn1
|
|
337
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
338
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
339
|
c1cc(oc1)/C=C/c2ccco2
|
|
340
|
CS(=O)(=O)NC[C@@H]1CCCO1
|
|
341
|
CCOC1=CC(=O)N(C1)CC#C
|
|
342
|
c1ccn(c1)c2c(non2)N
|
|
343
|
CCO/C=CCC1(CCCC1)O
|
|
344
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
345
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
346
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
347
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
348
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
349
|
Cc1cc(n(n1)C(=O)c2cc(on2)C)C
|
|
350
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
351
|
Cn1c(nnn1)c2ccco2
|
|
352
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
353
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
354
|
Cc1c(non1)c2cc3ccccn3c2
|
|
355
|
CCOC(=O)Nc1csnn1
|
|
356
|
c1c(c(nc(c1F)[O-])[O-])C#N
|
|
357
|
c1ccn(c1)c2ccnc(n2)c3cccnc3
|
|
358
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
359
|
|
|
360
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
361
|
COC(=O)Nc1/c(=N/C(=O)OC)/n(on1)[O-]
|
|
362
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
363
|
c1ccc2c(c1)cc(c(=O)o2)C(=O)n3cccn3
|
|
364
|
c1ccc(cc1)COc2c(nccn2)N
|
|
365
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
366
|
CC(C)([C@@H](Cc1ccc2c(c1O)COC2)O)O
|
|
367
|
CCC/C=C/COC(=O)N(C)C
|
|
368
|
CC#CCC/C=C(/C)CCO
|
|
369
|
CC(C)NC(=O)CSc1nnns1
|
|
370
|
Cc1c(non1)NCn2cnnn2
|
|
371
|
c1cc(oc1)c2nc(on2)CO
|
|
372
|
c1ccc(cc1)Nc2nncs2
|
|
373
|
c1(nnc(s1)S(=O)(=O)[NH-])N
|
|
374
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
375
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
376
|
CCOC(=O)C1=NC(=O)N=C1Cn2ccnc2
|
|
377
|
c1ccc(cc1)c2cn3c(n2)scn3
|
|
378
|
CC1NC(ON1)C2CNCCN2
|
|
379
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
380
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
381
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
382
|
c1c(nc2cnnn2c1[O-])[O-]
|
|
383
|
CS(=O)(=O)c1nc(on1)N
|
|
384
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
385
|
C1CCC2C(C1)[C@H](CO2)NC3NCCCN3
|
|
386
|
Cc1nnc(o1)SCC#C
|
|
387
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
388
|
Cnccs/c1=NC(=O)c2ccc[nH]2
|
|
389
|
c1ccc(cc1)CNc2c(non2)O
|
|
390
|
CCOC(=O)CN1CCC(=CC1)C
|
|
391
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
392
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
393
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
394
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
395
|
c1ccc2c(c1)nnn2n3c4ccccc4nn3
|
|
396
|
CC1C(SC(N1)C[C@@H](C)N2CC(CN2)CL)C(=O)C
|
|
397
|
CC1(CC2=N[C@@H](N=C2C(=O)C1)c3ccccc3)C
|
|
398
|
c1cc(cc(c1)n2c(c(n(c2=O)C3CC3)[O-])[O-])N
|
|
399
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
400
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
401
|
CCOC(=O)c1nccnn1
|
|
402
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
403
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
404
|
CSc1c(=O)nc(sn1)Nc2ccccc2
|
|
405
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
406
|
c1cc(oc1)S(=O)(=O)N2CCOCC2
|
|
407
|
Cc1c(nc(o1)c2ccoc2)CN3CCC[C@H]3C(=O)OC
|
|
408
|
CC(=O)OC/C=C/c1cccnc1
|
|
409
|
Cc1cc(no1)n2cnc(n2)c3cnoc3C
|
|
410
|
Cc1nnc(s1)NC2=NCCO2
|
|
411
|
c1(c(n[nH]n1)C(=O)[O-])C(=O)[O-]
|
|
412
|
CCOC(=O)C1=CN/C(=C(/O)OCC)/C1=O
|
|
413
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
414
|
C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)c2nc3c(cccn3n2)N)O)O)O
|
|
415
|
C1Cc2c(onc2c3c4c(on3)CCC4)C1
|
|
416
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
417
|
c1cnc(nc1)N2CCc3c(ccs3)C2
|
|
418
|
CNC(=O)OCC(F)(F)F
|
|
419
|
c1ccnc(c1)/C=C/c2ccco2
|
|
420
|
CCNc1nnc(s1)Cn2c(cc(n2)C)C
|
|
421
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
422
|
CCCCCC#COC(=O)OC
|
|
423
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
424
|
Cc1c(nc2ccccc2n1)c3cscn3
|
|
425
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
426
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
427
|
Cc1c(oc(n1)C)c2ccnc(n2)N
|
|
428
|
CC(C)(C)OC(=O)NCC#C
|
|
429
|
COC(=O)NS(=O)(=O)C1CCCO1
|
|
430
|
Cc1nc(no1)c2ncon2
|
|
431
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
432
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
433
|
CCOC(=O)c1nc2c(s1)NCCCC2
|
|
434
|
CC1NC(ON1)C2CCCO2
|
|
435
|
c1ccc(cc1)S(=O)(=O)C2=Cc3ccccc3C2
|
|
436
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
437
|
COC(=O)NCNC(=O)OC
|
|
438
|
c1ccc(cc1)S(=O)(=O)Nc2[n-]cnn2
|
|
439
|
CC(=O)c1csc(n1)c2ccno2
|
|
440
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
441
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
442
|
C1COC(=CO1)c2nnc(o2)N
|
|
443
|
CN(C)C(=O)OCOC(=O)N(C)C
|
|
444
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
445
|
CCOC(=O)C=C1CCOCC1
|
|
446
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
447
|
Cc1csc(n1)Cc2nc3ccccc3n2C
|
|
448
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
449
|
Cc1c(sc(n1)Cc2nc(cs2)O)C
|
|
450
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
451
|
c1c(c(c(=O)n(n1)Cc2ncno2)Cl)Cl
|
|
452
|
Cc1cc([nH]n1)OCCC#N
|
|
453
|
c1ccc(cc1)CSc2ccn[nH]2
|
|
454
|
CCOC(=O)N1CCC2C([NH]OC2=O)CC1
|
|
455
|
Cc1csc(n1)c2c(nc3n2ccs3)C
|
|
456
|
c1ccc(cc1)NCc2cscn2
|
|
457
|
CC(C)OC(=O)C1=NC(=O)CC=C1
|
|
458
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
459
|
C1CNc2nc(nn2C1)C(=O)[O-]
|
|
460
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
461
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
462
|
c1nc-2[nH]c(c(nc2n1)N)[O-]
|
|
463
|
CCN(CC)CC#CC1=CCCC1
|
|
464
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
465
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
466
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
467
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
468
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
469
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
470
|
CCCCC#CC(=O)OCC
|
|
471
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
472
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
473
|
c1cnoc1NC(=O)N2CCOCC2
|
|
474
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
475
|
C=CCOc1cccnc1N
|
|
476
|
Cc1nc(on1)C2CN(C2)C(=O)C
|
|
477
|
Cc1c(nnn1c2nccs2)C(=O)[O-]
|
|
478
|
Cnccs/c1=NC(=O)Cc2cccs2
|
|
479
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
480
|
Cc1c[nH]/c(=NC(=O)OC(C)(C)C)/[nH]1
|
|
481
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
482
|
C1CC1NC(=O)C2(CC2)C#N
|
|
483
|
c1cc(oc1)CNc2nccs2
|
|
484
|
CCCN1CCC(C1)C(=O)C
|
|
485
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
486
|
c1cc(cnc1)NCc2csnn2
|
|
487
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
488
|
CCOC(=O)COCCC=C
|
|
489
|
C#Cc1cc2ccccc2nc1
|
|
490
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
491
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
492
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
493
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
494
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
495
|
CC1NC2C(S1)NC(NN2)C3CCCCC3
|
|
496
|
c1ccc(cc1)c2cn(nn2)c3ccccc3
|
|
497
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
498
|
CC#CCCCCCCC#CC
|
|
499
|
c1ccc2c(c1)nnn2C3=CCCO3
|
|
500
|
c1cc(oc1)/C=c/2c(=O)n3cnnc3s2
|
|
501
|
c1cc2c(nc1)n(c(=O)o2)CCN3CCOCC3
|
|
502
|
Cn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
503
|
Cn1cnn2c1nc(c2)c3ccccc3
|
|
504
|
c1ccc(cc1)/C=C/S(=O)(=O)[O-]
|
|
505
|
c1c(nc(cn1)Cl)n2cncn2
|
|
506
|
CC1=C(Oc2ccccc2O1)c3ccccn3
|
|
507
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
508
|
C1CCn2c(nnc2CC#N)C1
|
|
509
|
C([C@@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O
|
|
510
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
511
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
512
|
CCOC(=O)C1=CNc2ccccc2N=C1N
|
|
513
|
c1ccnc(c1)CS(=O)(=O)[O-]
|
|
514
|
CCCCc1[nH]cc([nH+]1)CO
|
|
515
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
516
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
517
|
CCOc1/c(=N/Cc2ccccc2)/c(=O)c1[O-]
|
|
518
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
519
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
520
|
CCO[C@@H]1C=C/C(=C/C#Cc2ccccc2)/O1
|
|
521
|
COC(=O)C#CC1=CCCCC1
|
|
522
|
c1ncn(n1)Cn2cncn2
|
|
523
|
Cn1ccnc1NCC2CC2
|
|
524
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
525
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
526
|
COC(=O)c1ccc(o1)[N-]S(=O)(=O)c2ccccc2
|
|
527
|
C[C@@H](C1CCCS1)NC2=NCCO2
|
|
528
|
c1([n-]nnn1)Nc2[n-]nnn2
|
|
529
|
CC1NC(ON1)CC2CCCS2
|
|
530
|
c1cnoc1c2nnc(o2)N
|
|
531
|
c1cc(oc1)c2nnc(s2)N
|
|
532
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
533
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
534
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
535
|
CCOC(=O)c1c(c([nH]n1)C)N
|
|
536
|
CCC(=O)C#Cc1ccccc1
|
|
537
|
c1nc(no1)c2c(non2)N
|
|
538
|
c1ccc(cc1)NCc2cccs2
|
|
539
|
c1cscc1OC(=O)C2=NC(=O)CC=C2
|
|
540
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
541
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
542
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
543
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
544
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
545
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
546
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
547
|
c1cn(cn1)C(=O)OCC#N
|
|
548
|
c1ccc2c(c1)c(ns2)NCc3cccs3
|
|
549
|
Cc1cc(no1)NS(=O)(=O)C
|
|
550
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
551
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
552
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
553
|
Cc1c(cn(n1)C)S(=O)(=O)n2cccn2
|
|
554
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
555
|
c1ccc2c(c1)nnn2Cn3cccc3
|
|
556
|
c1ccc(cc1)NCS(=O)(=O)[O-]
|
|
557
|
CCn1cc(cn1)c2ccno2
|
|
558
|
Cc1cc(nc(n1)c2ccn[nH]2)Cl
|
|
559
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
560
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
561
|
CCOC(=O)[C@@H]1C=C1C(C)(C)O
|
|
562
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
563
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
564
|
c1ccc2c(c1)nc(o2)c3c[nH]nc3
|
|
565
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
566
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
567
|
c1nncn1/N=N/n2cnnc2
|
|
568
|
CC1NC(CN1C)S(=O)(=O)[N-]C2CNN(C2)CC(=O)OC
|
|
569
|
c1ncn(n1)CCn2cncn2
|
|
570
|
CCOC(=O)C=C1NCCN1
|
|
571
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
572
|
CC(C)(C)C(=O)/N=c/1
c2n(s1)ccs2
|
|
573
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
574
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
575
|
c1cn2cc(nc2cn1)C(=O)[O-]
|
|
576
|
c1nc(nn1CCC#N)N=N=N
|
|
577
|
COC1=CC(=O)O[C@@H]1CC#N
|
|
578
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
579
|
CN(C)c1nc(nc(n1)N)Cn2cc[nH+]c2
|
|
580
|
C1C[C@@H](OC1)COCCC#N
|
|
581
|
CN(C)C(=O)Nc1[n-]nnn1
|
|
582
|
|
|
583
|
Cc1cc(nc(n1)C)n2cnc(n2)C#N
|
|
584
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
585
|
c1ccc(cc1)S(=O)(=O)Nc2nncs2
|
|
586
|
COC(=O)c1ncn(n1)CC#N
|
|
587
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
588
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
589
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
590
|
c1ccnc(c1)NC(=O)c2[n-]nnn2
|
|
591
|
c1ccc(cc1)S(=O)(=O)Nc2ccon2
|
|
592
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
593
|
CCNC(=O)Oc1c2ccccc2on1
|
|
594
|
c1cc2c(nc1)S[C@@H](NC2=O)c3ccco3
|
|
595
|
CCCc1nc2c(o1)cccn2
|
|
596
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
597
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
598
|
C(C(F)(F)S(=O)(=O)[O-])(F)F
|
|
599
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
600
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
601
|
CCOC(=O)N=[S@@](=O)(c1ccccc1)N
|
|
602
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
603
|
c1ccc(cc1)OCc2nnco2
|
|
604
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
605
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
606
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
607
|
Cc1c(non1)NS(=O)(=O)c2ccccc2
|
|
608
|
Cc1c(oc(c1C#N)NC(=O)CN2CCOCC2)C
|
|
609
|
c1cc(oc1)CNc2[n-]nnn2
|
|
610
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
611
|
CS(=O)(=O)NCc1ccco1
|
|
612
|
C=CC#CCN1CCOCC1
|
|
613
|
CCC(=O)Cc1cnccn1
|
|
614
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
615
|
COC(=O)CC1=NCCOC1=O
|
|
616
|
COC(=O)C#Cc1cccs1
|
|
617
|
c1cc2c(cc1c3c4ccoc4ccn3)OCCO2
|
|
618
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
619
|
CC1(NC(=O)[C@@H](O1)/C=C/C2CCCCC2)C
|
|
620
|
COc1cc(n[nH]c1=O)Cl
|
|
621
|
c1cc(cnc1)CCNCc2cscn2
|
|
622
|
C1[C@@H]([C@H](O[C@H]1[C@@H]2C=CC=NC2=O)CO)O
|
|
623
|
c1ccc(cc1)C2=COc3ccccc3O2
|
|
624
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
625
|
Cc1c(cc/c(=NC(=O)C(C)C)/[nH]1)Br
|
|
626
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
627
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
628
|
C([C@H](c1c(c(c(o1)O)[O-])O)O)O
|
|
629
|
c1ccc(cc1)SCc2cnc(s2)Cl
|
|
630
|
c1cc(oc1)S(=O)(=O)CC#N
|
|
631
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
632
|
c1cc(n[nH]c1=O)NC2CC2
|
|
633
|
C1CCC(CC1)C(=O)C#CC2C[NH]C(=O)[NH]C2=O
|
|
634
|
c1c(c(=O)nc2n1CCO2)C#N
|
|
635
|
COC(=O)CCc1c[nH]cn1
|
|
636
|
CC(=O)c1cc2c(cco2)nc1
|
|
637
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
638
|
c1ccc2c(c1)C[C@@H]2c3ccccn3
|
|
639
|
CC(=O)OCc1ccccc1
|
|
640
|
C#CCCO[C@@H]1CCCCO1
|
|
641
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
642
|
Cc1nnn(n1)Cc2nnnn2C
|
|
643
|
Cc1ccc(s1)Nc2ccccc2
|
|
644
|
CC(=CCC/C(=C/CO)/C)C
|
|
645
|
C=CCNc1nc(ns1)N
|
|
646
|
CC(=O)n1ccc(n1)C(=O)[O-]
|
|
647
|
Cc1c(cco1)c2nnc(o2)N
|
|
648
|
c1cc(oc1)c2nc([nH]n2)N
|
|
649
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
650
|
c1nnc(s1)NCCC#N
|
|
651
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
652
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
653
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
654
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
655
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
656
|
c1cn(cn1)c2cc(=O)[nH]c(n2)N
|
|
657
|
C1O[C@@H]2[C@H]3[C@@H](OCO3)O[C@@H]2O1
|
|
658
|
Cc1cn2c(n1)sc(n2)NCC=C
|
|
659
|
C=CCNC(=O)n1ccnc1
|
|
660
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
661
|
C[C@@H](c1cccnc1)C(=O)[O-]
|
|
662
|
c1cscc1c2nnc(o2)N
|
|
663
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
664
|
Cc1nc(no1)CSc2nncs2
|
|
665
|
CC1C(C(N[NH]1)C2CCON2)N
|
|
666
|
|
|
667
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
668
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
669
|
c1c[nH]n2c1nc(c2)C(=O)[O-]
|
|
670
|
CC(=O)NCCc1coc2c1ccnc2
|
|
671
|
CC1([C@@H](N(C(=O)N1)CC=C)O)C
|
|
672
|
C1CC([NH]C1)C(=O)OCC#N
|
|
673
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
674
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
675
|
Cc1ccc(o1)SCc2ccco2
|
|
676
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
677
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
678
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
679
|
COc1cc(cnc1)c2c3c(ccs3)ncn2
|
|
680
|
c1ccnc(c1)C#CC2=CCCC2
|
|
681
|
Cc1c(non1)c2ccn[nH]2
|
|
682
|
C(C(F)(F)F)OSOCC(F)(F)F
|
|
683
|
c1ccc(cc1)C2=CC[C@@](C=C2)(O)Br
|
|
684
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
685
|
CNc1nnc(s1)c2cnccn2
|
|
686
|
c1cnccc1CSc2nncs2
|
|
687
|
|
|
688
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
689
|
Cc1cc(nc(n1)N2CC(=O)N=C2N)C
|
|
690
|
CC(=O)N[C@@H]1Cc2c1cccc2
|
|
691
|
c1c[nH]c2c1ncc(n2)Cl
|
|
692
|
c1nc([nH]n1)c2c(non2)N
|
|
693
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
694
|
c1c(cnc2c1CCCC2)C#N
|
|
695
|
c1ccc(cc1)C(=O)c2c(non2)N
|
|
696
|
COc1c2c(ncn1)CCNC2
|
|
697
|
C#CCSc1nn2cnnc2o1
|
|
698
|
C(c1c(non1)N)c2c(non2)N
|
|
699
|
c1cc(oc1)/C=C/c2nn3cnnc3s2
|
|
700
|
Cc1nc(co1)C#Cc2cccnc2
|
|
701
|
Cc1nnc(n1N)Sc2nccc(n2)OC
|
|
702
|
C=CCOCCOCCC#N
|
|
703
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
704
|
Cc1nnc(o1)[C@H]2CCN(C2)C(=O)C
|
|
705
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
706
|
c1ccc2c(c1)nnn2c3ccc4nnnn4n3
|
|
707
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
708
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
709
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
710
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
711
|
c1ccc(cc1)C#CCS(=O)(=O)[O-]
|
|
712
|
c1ccc(cc1)CCS(=O)(=O)[O-]
|
|
713
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
714
|
c1nncn1NC(=O)CC#N
|
|
715
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
716
|
c1ccnc(c1)C#CCN2CCCCC2
|
|
717
|
Cc1cc(nn1C)c2nnc(s2)NC
|
|
718
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
719
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
720
|
c1coc2c1cc(cc2O)F
|
|
721
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
722
|
C[C@@H](c1ccnc(n1)N)n2cncn2
|
|
723
|
C(C(C(F)(F)F)(F)F)O
|
|
724
|
CN(C)[C@@H](C/C=C/CC=C)C#N
|
|
725
|
C1COCCN1c2nnc(o2)N
|
|
726
|
CC(=O)Nc1c2c(no1)CCC2
|
|
727
|
COC(=O)N1CNC2C1[NH]NCC2=O
|
|
728
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
729
|
c1ccc(cc1)c2c3ccccn3nn2
|
|
730
|
CCOC(=O)C1=NCc2c1cccc2
|
|
731
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
732
|
C(CC#CC#CCCCO)CO
|
|
733
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
734
|
CCOC1NC(C(NN1)F)[O-]
|
|
735
|
c1ccn2cc(nc2c1)CC#N
|
|
736
|
Cc1nc(nn1c2[n-]cnn2)C(=O)[O-]
|
|
737
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
738
|
c1c[nH]c2c1c(cc(c2)F)N
|
|
739
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
740
|
CCOC(=O)c1[nH]nc(n1)N
|
|
741
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
742
|
CCS(=O)(=O)c1ccc2c(c1)nco2
|
|
743
|
CC(C)C(=O)CC1=CC(=O)OC(O1)(C)C
|
|
744
|
C[C@@]1(C(OC(=O)N1CCc2ccco2)(C)C)O
|
|
745
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
746
|
c1ccc(cc1)c2nncnn2
|
|
747
|
c1ccc(cc1)C2=NC(=O)CN2
|
|
748
|
Cc1cc(n(n1)CSc2ccccc2)C
|
|
749
|
c1ccc(cc1)Cc2c(nccn2)N
|
|
750
|
c1cc(oc1)[C@@H]2C[C@@H]2C(=O)[O-]
|
|
751
|
Cc1ccc(cc1)S(=O)(=O)N2CC=CC[S@@]2=O
|
|
752
|
c1ccc(cc1)NCc2ccco2
|
|
753
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
754
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
755
|
CC1CC2CC3CCCNN3C2NN1
|
|
756
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
757
|
Cc1csc(n1)Cc2nc(no2)c3ccc(cc3)O
|
|
758
|
CCC(=O)Oc1csnn1
|
|
759
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
760
|
CC(C)(C)c1ccc(=O)[nH]n1
|
|
761
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
762
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
763
|
c1ccnc(c1)C(=O)c2ccc[nH]2
|
|
764
|
c1nnn(n1)C[C@@H]2CCOCO2
|
|
765
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
766
|
c1nc2c(c(n1)O)nnc(n2)N
|
|
767
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
768
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
769
|
CCOc1cc(no1)Oc2ccccc2
|
|
770
|
CC1C2C(NC(CN2)CL)ON1
|
|
771
|
Cc1c2c(nc(n1)N)OCC2
|
|
772
|
c1ccc(cc1)SCn2cncn2
|
|
773
|
CCOCC12COCN1COC2
|
|
774
|
C[C@@H]1COC(=N1)C2CCCCN2
|
|
775
|
Cc1nnc(o1)C(=O)Nc2ccccc2
|
|
776
|
COc1cccc(c1)S(=O)(=O)[C@@H]2CC=NC2
|
|
777
|
c1c(noc1N)C2CCCC2
|
|
778
|
C=C=CCC(=O)N1CCCC1
|
|
779
|
CCc1nnc(s1)[N-]S(=O)(=O)N2CCCCC2
|
|
780
|
Cc1ccc2c(c1)[nH]/c(=Nc3nc(cc(n3)O)C)/o2
|
|
781
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
782
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
783
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
784
|
c1cc([nH]c1)C(=O)c2ccco2
|
|
785
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
786
|
Cc1cc(n(n1)Cn2ccccc2=O)C
|
|
787
|
CCOC(=O)Nc1nc2ccn(c2s1)C
|
|
788
|
Cc1c(cc2cc[nH]c2n1)C#N
|
|
789
|
CCC(=O)Nc1c(non1)N
|
|
790
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
791
|
Cc1ccc(cc1)S(=O)(=O)n2c(cnn2)C
|
|
792
|
c1ccc2c(c1)nnn2S(=O)(=O)c3ccco3
|
|
793
|
c1cc(oc1)c2nc(c(o2)N)C#N
|
|
794
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
795
|
Cc1nc(cs1)c2nc(cs2)C(=O)C
|
|
796
|
CN(C)C1N/C(=[NH+]/CC2CCCO2)/SS1
|
|
797
|
CNC1=N[C@@H]2CCCC[C@@H]2O1
|
|
798
|
Cc1nn(c(=O)c2n1ccn2)CC(=O)OC
|
|
799
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
800
|
CC(C)(C#Cc1ccoc1)O
|
|
801
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
802
|
Cc1c(nn2c(n1)nnn2)C
|
|
803
|
c1c2n(nc1C(=O)[O-])CCOC2
|
|
804
|
Cc1cc(=O)n([nH]1)c2[n-]nnn2
|
|
805
|
Cn1ccnc1Oc2ccc(cc2)Cl
|
|
806
|
Cc1c(non1)c2[n-]nnn2
|
|
807
|
c1ccc(cc1)[C@H](C(=O)[C@H]2C=CC=N2)O
|
|
808
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
809
|
c1ccc(cc1)n2cnc(n2)[O-]
|
|
810
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
811
|
CC1CCC(CC1)[C@@H]2C(=N2)C(=O)OC
|
|
812
|
c1ccc(cc1)c2cn(c(=O)o2)c3ccccc3
|
|
813
|
COc1cnc(o1)C(=O)OC
|
|
814
|
c1cc(oc1)c2csc(n2)CC#N
|
|
815
|
CC(=O)c1cc2cc[nH]c2nc1
|
|
816
|
CN1CNC(=O)c2c1n[nH]n2
|
|
817
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
818
|
Cc1cc(=O)[nH]c(n1)C2CC2
|
|
819
|
c1ccc(cc1)CNc2cnoc2
|
|
820
|
CCSc1nnc(o1)c2c(nc3n2ccs3)C
|
|
821
|
CS(=O)(=O)NC1=NCN(CN1)C2CC2
|
|
822
|
CNC(=O)Oc1ccccc1
|
|
823
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
824
|
c1ccc(cc1)NC[C@@H]2COCO2
|
|
825
|
CC(=O)Nn1c2ccccc2nn1
|
|
826
|
c1ccc2c(c1)nn(n2)CC#N
|
|
827
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
828
|
c1cc(oc1)c2cc(n[nH]2)O
|
|
829
|
c1ccc(cc1)COn2ccnc2
|
|
830
|
c1cc2c(nc1)NC(=O)CO2
|
|
831
|
c1cc(oc1)CNc2nnns2
|
|
832
|
C1CCC(C1)c2nnc(o2)N
|
|
833
|
C1CS(=O)(=O)N1CCC#N
|
|
834
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
835
|
Cc1c(nn2cc(nc2n1)c3ccccc3)C
|
|
836
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
837
|
C1CNCC2C1NC(C(C2)C3=CCCCC3)N
|
|
838
|
c1csc(n1)n2cnnn2
|
|
839
|
C[C@H]1OC[C@@H]([C@@H](O1)/C=C/C(=C/C(=O)OC)/C)O
|
|
840
|
Cn1c(=O)n2cc(ccc2n1)S(=O)(=O)N3CCCCC3
|
|
841
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
842
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
843
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
844
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
845
|
c1c(nc(o1)N)C(F)(F)F
|
|
846
|
c1cc(cnc1)C(=O)c2ccco2
|
|
847
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
848
|
c1cc(sc1)c2[nH]c(nn2)N
|
|
849
|
Cc1ccc(cc1)Nc2nc(=[NH2+])ss2
|
|
850
|
c1ccc2c(c1)CCN(C2)c3c(non3)[O-]
|
|
851
|
COc1ccccc1C/C=C/c2cccs2
|
|
852
|
CCc1cnnn1c2c(non2)N
|
|
853
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
854
|
Cc1c(sc(n1)C)c2ccnc(n2)N
|
|
855
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
856
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
857
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
858
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
859
|
c1cc(oc1)c2nnc3n2CCCCC3
|
|
860
|
CC1=NS(=O)(=O)N=C(O1)OC
|
|
861
|
|
|
862
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
863
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
864
|
c1cc2c(c(cs2)N)nc1
|
|
865
|
|
|
866
|
CC(C)(C)OC(=O)N1Cc2c(nc[nH]2)C1
|
|
867
|
CCn1cc(cn1)Nc2nccc(n2)OC
|
|
868
|
c1ccc(cc1)c2ncc(o2)c3ncco3
|
|
869
|
Cc1cc([nH]n1)NC(=O)c2cccc(c2)Cl
|
|
870
|
C#CCNCc1cccs1
|
|
871
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
872
|
c1ccc(cc1)c2cncnc2
|
|
873
|
|
|
874
|
Cc1nc(on1)CNS(=O)(=O)C
|
|
875
|
C/C(=C/CO)/C#CCN1CCCC1
|
|
876
|
c1ccc(cc1)COc2c(non2)N
|
|
877
|
Cc1cc(no1)c2nc(on2)C(C)(C)C
|
|
878
|
C=CCn1cc(ccc1=O)c2ccco2
|
|
879
|
CC1NC(ON1)[C@@H]2CCC=CC2
|
|
880
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
881
|
c1cnn(c1)c2cncc(n2)Cl
|
|
882
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
883
|
Cc1c(=O)n2c(nn1)n(cn2)Cc3ccccc3
|
|
884
|
CN1CC(CN1)NC(=O)CCN2CCOC2=O
|
|
885
|
c1ccc(cc1)Cn2ccnc2
|
|
886
|
CSc1nnc(o1)Cn2cnc(c2Cl)Cl
|
|
887
|
CC(C)(C(=O)[O-])n1cncn1
|
|
888
|
c1ccc(c(c1)C(=O)c2cnoc2)O
|
|
889
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
890
|
Cc1csc(n1)c2cc3ccccc3oc2=O
|
|
891
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
892
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
893
|
Cn1cc(nc1)S(=O)(=O)N
|
|
894
|
C(CCCC#N)CCCC#N
|
|
895
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
896
|
c1c(=O)nc2n(n1)c(cs2)N
|
|
897
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
898
|
c1ccc(cc1)c2cnccn2
|
|
899
|
c1ccc(cc1)OCn2ccc(=O)cc2
|
|
900
|
C=CCNC1CCNC(N1)N
|
|
901
|
c1cc(=O)n(nc1)CC(=O)[O-]
|
|
902
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
903
|
C[C@H]1CN(S(=O)(=O)O1)C(=O)OC(C)(C)C
|
|
904
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
905
|
C#Cc1ccc2c(c1)nccn2
|
|
906
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
907
|
c1cc2c(nc1)nc(o2)N3CCCC3
|
|
908
|
C(C(F)(F)F)S(=O)(=O)N
|
|
909
|
Cc1nc(cs1)C#C[C@@H]2C=CC=NC2=O
|
|
910
|
Cc1cc(n(n1)c2nc(nc(n2)N)C)C
|
|
911
|
c1ccc(cc1)Cn2cncn2
|
|
912
|
CCNC(=O)c1csnn1
|
|
913
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
914
|
Cn1cnc2c(c1=O)noc2C(=O)c3ccccc3
|
|
915
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
916
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
917
|
Cn1c(ccn1)c2cc(on2)C(=O)[O-]
|
|
918
|
c1ccc(cc1)OCc2ccco2
|
|
919
|
CCCCc1ncc(n1C(=O)C)COC(=O)C
|
|
920
|
CC(=O)OC#CCCCS(=O)(=O)[O-]
|
|
921
|
CN1C2C(C(=O)[NH]1)NCCN2
|
|
922
|
C/C(=C(C(=O)[O-])/NC(=O)c1ccccc1)/c2ccco2
|
|
923
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
924
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
925
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
926
|
c1ccc2c(c1)nnn2c3nnns3
|
|
927
|
c1c2cc(oc2ncc1F)CO
|
|
928
|
c1ccc2c(c1)NC(N2)[C@@H]3CCC=CO3
|
|
929
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
930
|
c1cc(sc1)C(=O)[C@@H]2CCC(=O)O2
|
|
931
|
COC(=O)C[C@@H]1Cn2c(nc(n2)C(F)(F)F)N=C1[O-]
|
|
932
|
C[C@@]1(C(=N1)N(C)C)C(=O)OC
|
|
933
|
CN(C)CC#Cc1cc(cnc1)C#N
|
|
934
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
935
|
Cc1cccc(c1)NC(=O)n2cccn2
|
|
936
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
937
|
c1c(nc2c(n1)c(ncn2)[O-])[O-]
|
|
938
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
939
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
940
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
941
|
c1ccc2c(c1)nc(o2)c3ccco3
|
|
942
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
943
|
CCNC(=O)C#CC(=O)NCC
|
|
944
|
CC1CCC(CC1)S(=O)(=O)C2CN[NH]N2
|
|
945
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
946
|
c1cc(cc(c1)OCc2cscn2)N
|
|
947
|
Cc1nc(cn1C)S(=O)(=O)Oc2ccccc2F
|
|
948
|
c1ccc2c(c1)nnn2c3nc4ccccc4s3
|
|
949
|
CC(C)(C)OC(=O)NCc1c[nH]nc1
|
|
950
|
C1CCC(CC1)NSC2CCCCC2
|
|
951
|
C1CCC(CC1)S(=O)(=O)OC2CCC(NN2)[O-]
|
|
952
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
953
|
Cn1c(ncn1)C(=O)C2CC2
|
|
954
|
C1C[C@@H](OC1)C(=O)Nc2[n-]nnn2
|
|
955
|
Cn1c(c(nc1Sc2cccs2)C#N)C#N
|
|
956
|
c1cc(oc1)CNn2cnnc2
|
|
957
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
958
|
CS(=O)(=O)N1CC=CC[S@@]1=O
|
|
959
|
CCCCc1c2c(n[nH]1)CC(CC2=O)(C)C
|
|
960
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
961
|
CC1(COC(=N1)/C=C/c2ccccc2)C
|
|
962
|
CCOc1nnc(s1)CN2CCOCC2
|
|
963
|
[H]/N=C/1CC(=O)N=C2N1N=C(S2)CCC
|
|
964
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
965
|
CC(=O)Nn1cnc2c1cccc2
|
|
966
|
|
|
967
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
968
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
969
|
C1COC(N1)NC2CCCCC2
|
|
970
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
971
|
CC(=O)NC1NCNC(N1)N
|
|
972
|
COC(=O)/C=C/C(=O)NCCN1
|
|
973
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
974
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
975
|
c1ccc2c(c1)[nH]c(n2)n3cnnc3
|
|
976
|
c1ccc(cc1)C2=CC[C@@](C=C2)(C#N)F
|
|
977
|
CCC[C@@H](C(F)(F)Cl)O
|
|
978
|
C(CS(=O)(=O)[O-])C1[N-]NNN1
|
|
979
|
Cc1cc(nc(n1)c2ccco2)Cl
|
|
980
|
c1cnn(c1)c2cncc(n2)N3CCCC3
|
|
981
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
982
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
983
|
|
|
984
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
985
|
CC1(C(=O)N(C(=N1)O)CC(=O)[O-])C
|
|
986
|
CC(C)(C)OC(=O)N1CCCC(=O)c2c1nn(c2)C
|
|
987
|
c1ccc(cc1)Cn2cccn2
|
|
988
|
CN(CCO)c1cnccn1
|
|
989
|
c1ccc(cc1)Nc2nc(ns2)N
|
|
990
|
c1(c(non1)N)c2nnc(o2)N
|
|
991
|
|
|
992
|
CO[C@@H]1C=C[C@@](O1)(CO)OC
|
|
993
|
Cc1nc(c(o1)N(C)C)C#N
|
|
994
|
Cc1cccc(c1)NC2=NCCO2
|
|
995
|
c1ccc(cc1)Oc2nc3ccc(nn3c(=O)n2)Cl
|
|
996
|
CC[C@@](C)(c1nnn(n1)C)O
|
|
997
|
CC(=O)Nc1cc(n[nH]1)c2ccc(cc2)F
|
|
998
|
COC(=O)c1c(cc(s1)n2cccn2)O
|
|
999
|
CCOC(=O)[C@@H](CC#N)C#N
|
|
1000
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
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