(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
CCCNC(=O)Cc1nc[nH]n1
|
|
2
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
3
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
4
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
5
|
CNC(=O)N/C=C/c1ccco1
|
|
6
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
7
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
8
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
9
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
10
|
CCO/C(=C/C1=NC(=O)[C@@](C1)(C(F)(F)F)[O-])/[O-]
|
|
11
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
12
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
13
|
Cc1cnc(o1)COc2ccccc2
|
|
14
|
Cc1cc(no1)CSc2nc(c(o2)C)C
|
|
15
|
CCS(=O)(=O)NCCn1cccn1
|
|
16
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
17
|
CCCCCCC1CN[NH]N1
|
|
18
|
Cc1c(non1)OCCOc2c(non2)C
|
|
19
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
20
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
21
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
22
|
c1ccnc(c1)SCc2[n-]nnn2
|
|
23
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
24
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
25
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
26
|
c1ccnc(c1)SCCn2cccn2
|
|
27
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
28
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
29
|
C/C(=C/1CCOC1=O)/Nc2[n-]nc(n2)C(F)(F)F
|
|
30
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
31
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
32
|
C([C@@H](CO)O)N1C(=O)[NH+]C(S1)N
|
|
33
|
CC(=O)NCCn1cccn1
|
|
34
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
35
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
36
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
37
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
38
|
COC(=O)Cc1cccnn1
|
|
39
|
Cc1nnc(o1)CSc2nccn2C
|
|
40
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
41
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
42
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
43
|
CC(=O)NC1=N[C@@]2([C@@H](c3ccccc3[C@@]2(N1)O)O)O
|
|
44
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
45
|
c1cnn(c1)CCSc2nncs2
|
|
46
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
47
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
48
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
49
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
50
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
51
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
52
|
Cc1c[nH]/c(=NC(=O)OC(C)(C)C)/[nH]1
|
|
53
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
54
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
55
|
Cc1nnc(o1)CSc2ccccn2
|
|
56
|
CCS(=O)(=O)NCc1nnc(o1)C
|
|
57
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
58
|
CC(=O)NCc1ccccn1
|
|
59
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
60
|
COC(=O)/C=c/c(=O)n2c(s1)ncn2
|
|
61
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
62
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
63
|
CCOC(=O)[C@@H](C#N)C1=NCCC1
|
|
64
|
CC(=O)Nc1nnc(s1)c2c(non2)N
|
|
65
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
66
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
67
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
68
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
69
|
CCOC1=CC(=O)N(C1)CC#C
|
|
70
|
C=CCCOCOCCC=C
|
|
71
|
c1cc(oc1)COCCC#N
|
|
72
|
Cc1nc(no1)CSc2nncs2
|
|
73
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
74
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
75
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
76
|
CCOCCOCOCC=C
|
|
77
|
CC(=O)OCc1c2n(nn1)CCC2
|
|
78
|
CS(=O)(=O)c1nc(on1)N
|
|
79
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
80
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
81
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
82
|
CCOC(=O)[C@@H]1CCC(=N1)c2ccc[nH]2
|
|
83
|
CN1NC(NN1)C2[N-]NNN2
|
|
84
|
c1ccn2c(c1)n/c(=NC(=O)c3ccco3)/s2
|
|
85
|
c1cc2c(nc1)OCC(=O)N2
|
|
86
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
87
|
c1cc(oc1)C(=O)/C=C/2C(=O)NCCN2
|
|
88
|
Cc1csc(n1)c2nnc(o2)N
|
|
89
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
90
|
COC(=O)NS(=O)(=O)C1CCCO1
|
|
91
|
CCCCCC(=O)OCC#C
|
|
92
|
c1ccc(cc1)OCCS(=O)(=O)[O-]
|
|
93
|
CCOC(=O)C[C@@H](CF)O
|
|
94
|
COC(=O)Nc1/c(=N/C(=O)OC)/n(on1)[O-]
|
|
95
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
96
|
c1ncn(n1)NCNn2cncn2
|
|
97
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
98
|
c1ccc(cc1)[C@H]2C[C@](N=C(N2)N)(C(F)(F)F)O
|
|
99
|
CN(C)[C@@H](C/C=C/CC=C)C#N
|
|
100
|
CCOC(=O)c1cccnn1
|
|
101
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
102
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
103
|
CCO/C=CCC1(CCCC1)O
|
|
104
|
Cc1cnc(o1)Cn2cccn2
|
|
105
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
106
|
Cc1cc([nH]n1)OCCC#N
|
|
107
|
|
|
108
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
109
|
c1cnn(c1)c2ccc(nn2)[O-]
|
|
110
|
c1cnn(c1)Cn2cc(cn2)N
|
|
111
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
112
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
113
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
114
|
CCOC(=O)/[NH+]=c/cc(cc(o1)O)O
|
|
115
|
CC1=C(Oc2ccccc2O1)c3ccccn3
|
|
116
|
CC1CC(ON1)C(=O)C2CCCCC2
|
|
117
|
CC(=O)O/C=C/CC(=O)OC
|
|
118
|
c1ccc(cc1)/C=C/c2nnc(o2)N
|
|
119
|
Cc1cc(no1)CSc2nncs2
|
|
120
|
c1cc(sc1)CCNc2ncccn2
|
|
121
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
122
|
CC1CC2CC3CCCNN3C2NN1
|
|
123
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
124
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
125
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
126
|
c1ccc(cc1)CO[C@@H]2C=CC=CO2
|
|
127
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
128
|
CC1NC(ON1)C2CNCCN2
|
|
129
|
c1ccc(cc1)S(=O)(=O)Nc2ccon2
|
|
130
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
131
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
132
|
c1cnc(nc1C2=C3C(=NC2)CCNC3=O)N
|
|
133
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
134
|
CNC1CNC2CCCCC2N1
|
|
135
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
136
|
C(COCCOCCO)O
|
|
137
|
CC1(OC(=CC(=O)O1)CC(=O)c2ccco2)C
|
|
138
|
Cn1cnn2c1nc(c2)c3ccccc3
|
|
139
|
CN(CCn1cccn1)c2ccccc2
|
|
140
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
141
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
142
|
c1ccc(cc1)/C=C/[C@@H](O)S(=O)(=O)[O-]
|
|
143
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
144
|
c1c[nH]nc1C(=O)NC2CC2
|
|
145
|
|
|
146
|
COC(CNC1=Nc2c(cccn2)OC1)OC
|
|
147
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
148
|
Cc1c(nn(c(=O)c1C#N)Cc2nc3ccccc3o2)C
|
|
149
|
CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)[O-]
|
|
150
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
151
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
152
|
CC1NC2C(S1)NC(NN2)C3CCCCC3
|
|
153
|
C(C(F)(F)F)OSOCC(F)(F)F
|
|
154
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
155
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
156
|
c1ccc(cc1)COc2c(non2)N
|
|
157
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
158
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
159
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
160
|
Cc1c(nc2ccccc2n1)c3cscn3
|
|
161
|
c1cc(oc1)CSc2nccs2
|
|
162
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
163
|
c1cnc(cn1)c2nnc(o2)N
|
|
164
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
165
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
166
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
167
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
168
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
169
|
Cc1cc(no1)n2cnc(n2)c3cnoc3C
|
|
170
|
Cc1nc(on1)C2CN(C2)C(=O)C
|
|
171
|
C(CF)NC(=O)NCCF
|
|
172
|
CCOC(=O)Cc1[nH]ncn1
|
|
173
|
|
|
174
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
175
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
176
|
c1ccc2c(c1)nn(n2)Cc3ccco3
|
|
177
|
CCOC(=O)c1nc(on1)C
|
|
178
|
c1ccnc(c1)/C(=N/c2n[nH]nn2)/[O-]
|
|
179
|
Cn1cc(cn1)NCc2ccco2
|
|
180
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
181
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
182
|
Cc1csc(n1)Cc2nc3ccccc3n2C
|
|
183
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
184
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
185
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
186
|
CC(C)(/C=C/C#CC(C)(C)O)O
|
|
187
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
188
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
189
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
190
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
191
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
192
|
C1[C@@H]2N(C1=O)[C@@H](/C(=C/CO)/O2)C(=O)[O-]
|
|
193
|
CCOC(=O)CC/C=C/C#C
|
|
194
|
c1cc2c(nc1)n(c(=O)o2)CCN3CCOCC3
|
|
195
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
196
|
c1cc(cnc1)NCc2csnn2
|
|
197
|
C([C@@H](CO)O)N1C(=O)SC(N1)N
|
|
198
|
Cc1csc(n1)c2c(nc3n2ccs3)C
|
|
199
|
C=CCNc1cn[nH]c(=O)n1
|
|
200
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
201
|
c1c(nc2cnnn2c1[O-])[O-]
|
|
202
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
203
|
COC(=O)c1c(cc(s1)n2cccn2)O
|
|
204
|
CCOC(=O)Cn1nnnn1
|
|
205
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
206
|
c1ccc(cc1)NCc2ccco2
|
|
207
|
CCCCc1[nH]cc([nH+]1)CO
|
|
208
|
c1ccc(cc1)CNc2ncco2
|
|
209
|
c1cc(oc1)CNC(=O)n2ccnc2
|
|
210
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
211
|
CC(=O)Oc1ccc(nn1)[O-]
|
|
212
|
CS(=O)(=O)NC[C@@H]1CCCO1
|
|
213
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
214
|
CCCC(=O)OCOC(=O)/C=C(C)/N
|
|
215
|
c1cc(oc1)c2cc(on2)N
|
|
216
|
Cc1ccc2c(c1)[nH]/c(=Nc3nc(cc(n3)O)C)/o2
|
|
217
|
CC(C)Oc1cc(on1)C#N
|
|
218
|
Cn1cc(cn1)c2cc(on2)CO
|
|
219
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
220
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
221
|
c1cc2cnn(c2nc1)[C@@H]3C[C@@H]([C@@H](O3)CO)O
|
|
222
|
C1CCC(CC1)C2C3C(NO2)CCC3
|
|
223
|
Cc1c(non1)c2ccn[nH]2
|
|
224
|
CN(C)c1nc(nc(n1)N)Cn2cc[nH+]c2
|
|
225
|
Cc1c(cn(n1)C)S(=O)(=O)n2cccn2
|
|
226
|
c1nc(nn1CCC#N)N=N=N
|
|
227
|
CCC(=O)OC/C=C/C=C/C
|
|
228
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
229
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
230
|
CCOC(=O)Cc1coc(n1)C
|
|
231
|
CCOC(=O)c1c(c([nH]n1)C)N
|
|
232
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
233
|
C(C1[N-]NNN1)C2[N-]NNN2
|
|
234
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
235
|
C1NC([NH]N1)NC2=NCCO2
|
|
236
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
237
|
Cc1cnc(o1)CN2CCc3c2cccc3
|
|
238
|
Cc1cc(nn1C)c2nnc(s2)NC
|
|
239
|
CCOc1cc(no1)Oc2ccccc2
|
|
240
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
241
|
CC1CCCC(N1)C2[N-]NNN2
|
|
242
|
C[C@@H](C1CCCS1)NC2=NCCO2
|
|
243
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
244
|
C1Cc2c(onc2c3c4c(on3)CCC4)C1
|
|
245
|
c1ccnc(c1)CCSc2nncs2
|
|
246
|
|
|
247
|
c1ccc(cc1)Oc2ccc(nn2)[O-]
|
|
248
|
CCCCC#C[C@@H]1CCCO1
|
|
249
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
250
|
CCO[C@@H](C=C)n1cncn1
|
|
251
|
c1cc(oc1)CNc2nccs2
|
|
252
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
253
|
c1c(c(nc(c1F)[O-])[O-])C#N
|
|
254
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
255
|
CCSc1nncn1Cc2ccco2
|
|
256
|
Cc1nc(cs1)C#C[C@@H]2C=CC=NC2=O
|
|
257
|
CC1=NS(=O)(=O)N=C(O1)OC
|
|
258
|
|
|
259
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
260
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
261
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
262
|
Cn1cnnc1S(=O)(=O)[O-]
|
|
263
|
C1CC(OC1)CNC2=NCCO2
|
|
264
|
c1ccc(cc1)CCOn2ccnc2
|
|
265
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
266
|
|
|
267
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
268
|
CCn1cc(cn1)c2cc[nH]n2
|
|
269
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
270
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
271
|
Cn1c(nnn1)c2ccco2
|
|
272
|
CCC(=O)C#Cc1ccccc1
|
|
273
|
CCCc1nc2c(o1)cccn2
|
|
274
|
C#Cc1cc2ccccc2nc1
|
|
275
|
CC1=C([C@@H]2CCO[C@@H]2O1)C(=O)OC
|
|
276
|
C1C[C@@H](OC1)c2nnc(o2)N
|
|
277
|
c1cc(oc1)OC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
278
|
Cc1nc(on1)CNC(=O)C
|
|
279
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
280
|
CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1
|
|
281
|
c1cc(oc1)c2nnc(s2)N
|
|
282
|
c1c2cc(oc2ncc1F)CO
|
|
283
|
|
|
284
|
|
|
285
|
CCOC(=O)N=[S@@](=O)(c1ccccc1)N
|
|
286
|
Cc1c[nH]nc1C(F)(F)F
|
|
287
|
c1ccc2c(c1)c(nnn2)Nc3ccccc3Cl
|
|
288
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
289
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
290
|
C1COC(=CO1)c2nnc(o2)N
|
|
291
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
292
|
c1ccnc(c1)SCc2ccco2
|
|
293
|
Cc1cc(co1)C(=O)n2ccnc2
|
|
294
|
Cc1c(oc(n1)C)c2ccnc(n2)N
|
|
295
|
c1csc(n1)n2cnnn2
|
|
296
|
Cc1cc(no1)C(F)(F)F
|
|
297
|
C=CCNC(=O)c1ccco1
|
|
298
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
299
|
CCCOn1c(nnn1)c2ccccc2
|
|
300
|
|
|
301
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
302
|
Cn1cc(cn1)c2c(nco2)C(=O)[O-]
|
|
303
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
304
|
c1cc2c(nc1)NC(=O)CO2
|
|
305
|
c1ccc(cc1)/C=C/S(=O)(=O)[O-]
|
|
306
|
CCOC(=O)c1nccnn1
|
|
307
|
Cc1c(non1)NCn2cnnn2
|
|
308
|
CC#CCC/C=C(/C)CCO
|
|
309
|
Cc1cccc(c1)NC2=NCCO2
|
|
310
|
CCOC(=O)N1CCC2C([NH]OC2=O)CC1
|
|
311
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
312
|
Cc1nc(on1)c2c(non2)N
|
|
313
|
c1cc(cnc1)CS(=O)(=O)N
|
|
314
|
c1c[nH]c2c1ncc(n2)Cl
|
|
315
|
c1(nnc(o1)[O-])C(F)(F)F
|
|
316
|
Cc1cc(no1)NS(=O)(=O)C
|
|
317
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
318
|
[C@H]12[C@H]([C@@H]1C(=O)[O-])C(=O)N=C2[O-]
|
|
319
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
320
|
c1nnn(n1)C[C@@H]2CCOCO2
|
|
321
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
322
|
c1ccc(cc1)OCCn2ccnc2
|
|
323
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
324
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
325
|
c1ccc(cc1)NCc2cscn2
|
|
326
|
CCOC=C(c1nnco1)c2nnco2
|
|
327
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
328
|
C1CCC(CC1)C(=O)NN2CCNN2
|
|
329
|
c1ccc2c(c1)ncc(n2)C#N
|
|
330
|
Cc1cc(n(n1)C(=O)c2cc(on2)C)C
|
|
331
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
332
|
c1cc2cc(sc2nc1)CO
|
|
333
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
334
|
C(#N)c1c(non1)Oc2c(non2)C#N
|
|
335
|
CCOC(=O)c1[nH]nc(n1)N
|
|
336
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2[nH]ncn2)[O-]
|
|
337
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
338
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
339
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
340
|
C1CC1NC(=O)C2(CC2)C#N
|
|
341
|
CN(C)C(=O)OCOC(=O)N(C)C
|
|
342
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
343
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
344
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
345
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
346
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
347
|
|
|
348
|
CCOC(=O)c1c(onn1)C
|
|
349
|
C=CCn1cc(ccc1=O)c2ccco2
|
|
350
|
c1cc2c([nH]nc2Cl)nc1
|
|
351
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
352
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
353
|
|
|
354
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
355
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
356
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
357
|
C1COCCN1CCS(=O)(=O)[O-]
|
|
358
|
C=CCOCCOCCC#N
|
|
359
|
Cc1nnc(o1)SCC#C
|
|
360
|
c1ccnc(c1)/C=C/c2ccco2
|
|
361
|
Cc1c(cc2cc[nH]c2n1)C#N
|
|
362
|
Cc1cc(nc(n1)Nc2cc(on2)C)C#N
|
|
363
|
Cc1nnn(n1)Cc2nnnn2C
|
|
364
|
c1(c(non1)N)c2nnc(o2)N
|
|
365
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
366
|
COC(=O)[C@@H]1[C@H]2C=CO[C@@H]2O1
|
|
367
|
c1ccc(cc1)CNc2c(non2)O
|
|
368
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
369
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
370
|
COC[C@@H](C(OC)OC)O
|
|
371
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
372
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
373
|
c1cc(oc1)CNn2cnnc2
|
|
374
|
Cc1cc(ncn1)Nc2ccccc2
|
|
375
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
376
|
C(#N)C(C(C#N)(F)F)(F)F
|
|
377
|
CC(=O)OC/C=C/OC(=O)C
|
|
378
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
379
|
CC(C)(C)c1ccc(=O)[nH]n1
|
|
380
|
CN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)NC1=O)O
|
|
381
|
c1cc2c(nc1)onc2Cl
|
|
382
|
c1[nH]c(c(n1)C(=O)[O-])C(=O)[O-]
|
|
383
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
384
|
C=CCNC(=O)n1ccnc1
|
|
385
|
Cc1nc([nH]n1)Br
|
|
386
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
387
|
CC(=O)NCC1CNCCN1
|
|
388
|
CS(=O)(=O)NCCOc1ccccc1
|
|
389
|
c1csc(n1)C(=O)CC#N
|
|
390
|
CCC/C=C/COC(=O)N(C)C
|
|
391
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
392
|
Cc1nc(co1)/C=C(C)/CO
|
|
393
|
C[C@H]1OC[C@@H]([C@@H](O1)/C=C/C(=C/C(=O)OC)/C)O
|
|
394
|
Cn1c2c(c(ncn2)[O-])nn1
|
|
395
|
c1nc2c(c(n1)O)nnc(n2)N
|
|
396
|
c1c(cnc2c1CCCC2)C#N
|
|
397
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
398
|
CCOC(=O)[C@H]1[C@H]2[C@@H]1OC=C2
|
|
399
|
CC(=O)c1cc2c(cco2)nc1
|
|
400
|
C(CC#CC#CCCCO)CO
|
|
401
|
c1(c(n[nH]n1)C(=O)[O-])C(=O)[O-]
|
|
402
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
403
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
404
|
C1[C@@H](C1(Cl)Cl)C(=O)[O-]
|
|
405
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
406
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
407
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
408
|
Cn1cnnc1Cc2ccccc2
|
|
409
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
410
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
411
|
CC(=O)c1csc(n1)c2ccno2
|
|
412
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
413
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
414
|
c1cnnc(n1)c2nccnn2
|
|
415
|
Cnccs/c1=NC(=O)c2ccc[nH]2
|
|
416
|
CC(=O)Oc1coc2c1cccc2
|
|
417
|
Cc1cc(no1)CSc2ccccn2
|
|
418
|
CC1(C=CN(C=C1)CCC(=O)OC)C
|
|
419
|
C(C#N)c1nc(nc(n1)N)N
|
|
420
|
CC(=O)Nc1c(cn[nH]1)C#N
|
|
421
|
CN(C)c1nnc(o1)[C@H]2C=N[NH+]=C2N
|
|
422
|
Cc1c(nc(c(n1)C(=O)NC)NC)CCC(=O)[O-]
|
|
423
|
Cn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
424
|
C[C@@]1(C(OC(=O)N1CCc2ccco2)(C)C)O
|
|
425
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
426
|
CC(C)c1nc([nH]n1)CC#N
|
|
427
|
Cn1c(cc(n1)Oc2ccc(cn2)C(F)(F)F)C(F)(F)F
|
|
428
|
Cc1nc(on1)CNS(=O)(=O)C
|
|
429
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
430
|
c1cn(cn1)C(=O)OCC#N
|
|
431
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
432
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
433
|
C=CCOc1cccnc1N
|
|
434
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
435
|
C#C[C@@]1(C=C[C@H]2CO[C@@H]1O2)O
|
|
436
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
437
|
Cn1ccnc1NCc2ccco2
|
|
438
|
C/C(=C/CO)/C#CCN1CCCC1
|
|
439
|
C(C(F)(F)S(=O)(=O)[O-])(F)F
|
|
440
|
c1ccc2c(c1)cc(c(=O)o2)C(=O)n3cccn3
|
|
441
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
442
|
c1cnn(c1)c2nncn2N
|
|
443
|
c1cnc(nc1c2nccs2)N
|
|
444
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
445
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
446
|
c1nnc(s1)NCCC#N
|
|
447
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
448
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
449
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
450
|
Cc1c(non1)NS(=O)(=O)c2ccccc2
|
|
451
|
CNC(=O)Nc1ccc2c(c1)nnn2C
|
|
452
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
453
|
Cc1c(nnc2c1c(n[nH]2)N)C
|
|
454
|
CCCOC(=O)n1cccc1
|
|
455
|
Cc1c(cc/c(=NC(=O)C(C)C)/[nH]1)Br
|
|
456
|
CC1(CC2C(OC(NC2=O)N(C)C)C1)C
|
|
457
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
458
|
c1ccc2c(c1)nnn2C3=CCCO3
|
|
459
|
Cc1cc(no1)c2nnc(o2)N
|
|
460
|
CC(=O)O/C=C/c1ccccc1
|
|
461
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
462
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
463
|
CC(C)(C(=O)[O-])n1cnnn1
|
|
464
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
465
|
CCNC(=O)Oc1c2ccccc2on1
|
|
466
|
CCn1cc(cn1)c2ccno2
|
|
467
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
468
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
469
|
CC(C)(C)c1cnnc(n1)N
|
|
470
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
471
|
CC(=O)NCCn1cccc1
|
|
472
|
COC(=O)c1cc2c(cc[nH]2)c(c1)O
|
|
473
|
c1ccc(cc1)c2nc(nc(n2)n3cccc3)N
|
|
474
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
475
|
c1cc(ncc1C#N)NCc2nccs2
|
|
476
|
C[C@@H]1C(=NC(=NC1=O)c2ccccc2)C(=O)[O-]
|
|
477
|
C1CC(=O)O[C@@H]1c2nc(c(o2)N)C#N
|
|
478
|
c1cn2cc(nc2cn1)C(=O)[O-]
|
|
479
|
C1NC([NH]N1)CCCS(=O)(=O)[O-]
|
|
480
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
481
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
482
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
483
|
CCOC(=O)C=C1NCCN1
|
|
484
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
485
|
|
|
486
|
C1CCN(C1)S(=O)(=O)c2c(nc(nn2)[O-])[O-]
|
|
487
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
488
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
489
|
c1ccc(cc1)Oc2c(non2)N
|
|
490
|
CCOC(=O)[C@@H]1C=C1C(C)(C)O
|
|
491
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
492
|
CC1(CO/C(=C/C(=O)c2ccccc2)/N1)C
|
|
493
|
Cc1ccc(nc1)n2cnnn2
|
|
494
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
495
|
COC(=O)NS(=O)(=O)OC
|
|
496
|
CCC(=O)N/C=C/c1ccccc1
|
|
497
|
c1cc(sc1)C(=O)/C=C/2C(=O)NCCN2
|
|
498
|
CC(=O)Oc1c(c(c([nH]1)C(=O)OC)O)O
|
|
499
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
500
|
Cc1ccc(cc1)S(=O)(=O)[C@@H]2COC=N2
|
|
501
|
Cc1ccc(o1)SCc2ccco2
|
|
502
|
COC(=O)[C@@H](c1ccco1)N
|
|
503
|
CC(=O)Nn1c2ccccc2nn1
|
|
504
|
c1ccnc(c1)n[nH]/c2=NC(=O)C3CC3
|
|
505
|
Cc1c(non1)c2cn3cc(ccc3n2)Br
|
|
506
|
c1ccc(cc1)COc2c(nccn2)N
|
|
507
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
508
|
CCCCCC#COC(=O)OC
|
|
509
|
C#CCCO[C@@H]1CCCCO1
|
|
510
|
c1ccnc(c1)Nc2cccs2
|
|
511
|
c1cc(oc1)c2ccnc(n2)N
|
|
512
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
513
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
514
|
CCOC(=O)[C@@H]1CC=C(C1)C
|
|
515
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
516
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
517
|
c1nncn1c2[n-]c(nn2)N
|
|
518
|
c1ncn(n1)CCn2cncn2
|
|
519
|
c1ccc(cc1)COn2ccnc2
|
|
520
|
c1ccnc(c1)C(=O)c2ccc[nH]2
|
|
521
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
522
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
523
|
c1ccc(cc1)NC2=NCCCO2
|
|
524
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
525
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
526
|
Cc1cc(n(n1)S(=O)(=O)C)C
|
|
527
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
528
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
529
|
Cc1c(non1)c2cc3ccccn3c2
|
|
530
|
c1ccc(cc1)n2cnc(n2)[O-]
|
|
531
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
532
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
533
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
534
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
535
|
C[C@@H](C[S@@](=O)[O-])C(=O)[O-]
|
|
536
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
537
|
Cc1nnc(o1)CCNS(=O)(=O)C
|
|
538
|
Cc1cc(nn2c1nnc2)O
|
|
539
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
540
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
541
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
542
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
543
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
544
|
Cc1c2c(nnn2[O-])n(n1)C
|
|
545
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
546
|
CC(C)OC(=O)C1=NC(=O)CC=C1
|
|
547
|
Cc1cc(n2c(n1)ncn2)[O-]
|
|
548
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
549
|
CCOc1nc(nc(n1)N)C
|
|
550
|
COC(=O)NCNC(=O)OC
|
|
551
|
CCOC1NC(=O)N(S1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
552
|
CC1(C(=O)N(C(=N1)O)CC(=O)[O-])C
|
|
553
|
CC1=NS(=O)(=O)N=C(C1)C
|
|
554
|
Cc1cc(c(nn1)[O-])c2nc3ccccc3n2C
|
|
555
|
c1cscc1OC(=O)C2=NC(=O)CC=C2
|
|
556
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
557
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
558
|
CC(C)([C@@H](Cc1ccc2c(c1O)COC2)O)O
|
|
559
|
CC1CC(=O)CC(O1)C(=O)[O-]
|
|
560
|
c1ccc(cc1)c2ncc(s2)c3ccno3
|
|
561
|
c1ccn2cc(nc2c1)CC#N
|
|
562
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
563
|
Cc1cccc(c1)NC(=O)n2cccn2
|
|
564
|
c1cc(sc1)Cc2nc(c(o2)N)C#N
|
|
565
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
566
|
c1cc(oc1)c2nnc3n2CCCCC3
|
|
567
|
C1CCC(CC1)/C=C/N2CCNC2
|
|
568
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
569
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
570
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
571
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
572
|
c1cnsc1C(=O)N2CC(C2)F
|
|
573
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
574
|
CCCCC#CC(=O)OCC
|
|
575
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
576
|
c12c([nH]c(=O)nc1onn2)[O-]
|
|
577
|
CCOC(=O)C1=C(Nn2cnnc2S1)C
|
|
578
|
c1cc(oc1)/C=C/2CCC(=O)O2
|
|
579
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
580
|
c1cc(oc1)Cn2c3c(nc2Cl)CCC3
|
|
581
|
C1COCCN1c2nnc(o2)N
|
|
582
|
C(c1c(non1)N)c2c(non2)N
|
|
583
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
584
|
CCCOSOCCC
|
|
585
|
c1(nnc(s1)S(=O)(=O)[NH-])N
|
|
586
|
CCOc1nnc(s1)CN2CCOCC2
|
|
587
|
C=C=CCC(=O)N1CCCC1
|
|
588
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
589
|
CC(=O)OC/C=C/c1cccnc1
|
|
590
|
CCOc1/c(=N/Cc2ccccc2)/c(=O)c1[O-]
|
|
591
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
592
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
593
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
594
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
595
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
596
|
CN(C)S(=O)(=O)n1cccn1
|
|
597
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
598
|
CCc1nc(cs1)CSc2nccn2C
|
|
599
|
Cc1nc(cs1)c2cc(no2)CO
|
|
600
|
|
|
601
|
CC1(c2cccnc2NC1=O)C
|
|
602
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
603
|
CN(CCO)c1cnccn1
|
|
604
|
CCCN1CCC(C1)C(=O)C
|
|
605
|
CC(C)(C(=O)[O-])n1cncn1
|
|
606
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
607
|
C1CS(=O)(=O)N[C@@H]1C(=O)[O-]
|
|
608
|
Cc1nc2c(ncnc2o1)N
|
|
609
|
c1cc(c2c(c1)non2)CO
|
|
610
|
CCOC(=O)COCCC=C
|
|
611
|
c1cnc(nc1)N2CCc3c(ccs3)C2
|
|
612
|
c1ccc(c(c1)C(=O)c2cnoc2)O
|
|
613
|
COc1ccnc(n1)Sc2nnc(s2)SC
|
|
614
|
CC1C(C(N[NH]1)C2CCON2)N
|
|
615
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
616
|
c1cc([nH]c1)C(=O)c2ccco2
|
|
617
|
c1ccc2c(c1)nc(c(=O)o2)N
|
|
618
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
619
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
620
|
C1C[C@@H](OC1)COCCC#N
|
|
621
|
C[C@@H]1COC(=N1)C2CCCCN2
|
|
622
|
c1ccc(cc1)c2cnc3c(n2)non3
|
|
623
|
C1C[C@@H](OC1)C(=O)Nc2[n-]nnn2
|
|
624
|
COC(=O)/C=C/C(=O)NCCN1
|
|
625
|
Cn1c(c(cn1)c2nc(no2)C3CC3)N
|
|
626
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
627
|
[H]/N=c/nc(ss1)Oc2ccccc2
|
|
628
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
629
|
c1cocc1c2nc([nH]n2)N
|
|
630
|
CN(C)CC#Cc1cc(cnc1)C#N
|
|
631
|
c1ccc(cc1)NCCn2cccc2
|
|
632
|
CCSc1nnc2n1CCN2c3ccccc3
|
|
633
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
634
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
635
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
636
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
637
|
c1c(c(n[nH]1)n2cnnc2)N
|
|
638
|
c1c(c(=O)[nH]c(=O)n1O[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)F
|
|
639
|
Cc1c(cc2c(n1)nc(o2)[O-])c3ccncc3
|
|
640
|
CNc1c(ncnn1)C(=O)[O-]
|
|
641
|
C[C@H]1[C@@H]([C@H](C=CO1)O)OCc2ccccc2
|
|
642
|
c1ccc2c(c1)nnn2c3ccc4nnnn4n3
|
|
643
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
644
|
|
|
645
|
c1cnn(c1)c2cncc(n2)N3CCCC3
|
|
646
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
647
|
CN1CC(CN1)NC(=O)CCN2CCOC2=O
|
|
648
|
CCC(=O)Oc1csnn1
|
|
649
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
650
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
651
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
652
|
CC1=CC(=O)O[C@@H]1CC(=O)[O-]
|
|
653
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
654
|
Cc1c(cno1)c2cn3ccccc3n2
|
|
655
|
Cc1nc(no1)c2ncon2
|
|
656
|
C#CCNCc1cccs1
|
|
657
|
c1ccc(cc1)CCS(=O)(=O)[O-]
|
|
658
|
c1coc(n1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
|
|
659
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
660
|
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)O
|
|
661
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
662
|
c1cc(oc1)C(=O)c2cccs2
|
|
663
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
664
|
Cc1ccc(cc1)S(=O)(=O)c2csc(n2)C
|
|
665
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
666
|
CN(C)c1nnnn1N(C)C
|
|
667
|
C1Cc2nnc(n2C1)C(=O)[O-]
|
|
668
|
CC1([C@@H](N(C(=O)N1)CC=C)O)C
|
|
669
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
670
|
CC(=O)OC#CCCCS(=O)(=O)[O-]
|
|
671
|
c1cc(sc1)C(=O)c2[nH]ccn2
|
|
672
|
c1ccc(cc1)CSc2ccn[nH]2
|
|
673
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
674
|
c1ccc(cc1)c2c3ccccn3nn2
|
|
675
|
c1ccc(cc1)S(=O)(=O)C[C@@H]2CSc3n2ncn3
|
|
676
|
c1cc(oc1)c2csc(n2)CC#N
|
|
677
|
c1ccn(c(=O)c1)OCC(=O)[O-]
|
|
678
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
679
|
Cc1c(non1)c2[n-]nnn2
|
|
680
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
681
|
c1ccn2c(c1)nc3c2cc(s3)C(=O)[O-]
|
|
682
|
Cc1ccc(cc1)S(=O)(=O)n2c(cnn2)C
|
|
683
|
c1ccc2c(c1)nnn2c3ccco3
|
|
684
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
685
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
686
|
c1ccc(cc1)S(=O)(=O)NCc2nccs2
|
|
687
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
688
|
c1nc(nn1CCN2CCOC2=O)C#N
|
|
689
|
Cc1c(nc(o1)c2ccoc2)CN3CCC[C@H]3C(=O)OC
|
|
690
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
691
|
c1c(cnc2c1oc(=O)[nH]2)Br
|
|
692
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
693
|
CN(C)c1nnc(o1)CC#N
|
|
694
|
c1c(noc1N)C2CCCC2
|
|
695
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
696
|
CS(=O)(=O)NC1=NCN(CN1)C2CC2
|
|
697
|
c1cc(sc1)C(=O)n2cccn2
|
|
698
|
CC(=O)Oc1c(ccs1)N
|
|
699
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
700
|
c1cc2c(nc1)nc(o2)N3CCCC3
|
|
701
|
Cc1cc(no1)c2c(c(no2)C)CO
|
|
702
|
Cc1c(nnc(c1c2[n-]nnn2)[O-])C
|
|
703
|
C1CCC(CC1)S(=O)(=O)OC2CCC(NN2)[O-]
|
|
704
|
Cn1c(ncn1)C(=O)C2CC2
|
|
705
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
706
|
CC1(NC(=O)[C@@H](O1)/C=C/C2CCCCC2)C
|
|
707
|
CN1CCC=C1c2cccnc2
|
|
708
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
709
|
c1ccc(cc1)OCc2ccco2
|
|
710
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
711
|
c1cc(oc1)S(=O)(=O)N2CCOCC2
|
|
712
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
713
|
CSC1C2C(CCN1)N[NH]N2
|
|
714
|
|
|
715
|
c1c[nH]nc1c2nccs2
|
|
716
|
c1ccc(cc1)c2nnc3n2CCCC3
|
|
717
|
c1c(nns1)Br
|
|
718
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
719
|
Cc1ccc(cc1)c2cn[nH]n2
|
|
720
|
COC(=O)CC1=NCCOC1=O
|
|
721
|
c1(c(n[nH]n1)Cl)c2nc([n-]n2)Cl
|
|
722
|
c1ccc(cc1)NC[C@@H]2COCO2
|
|
723
|
c1cnn2c1nc(cc2)Cl
|
|
724
|
CC1CCC(O1)C2CCCC(=O)O2
|
|
725
|
c1nc(nn1CC(F)(F)F)N
|
|
726
|
c1cc(oc1)c2nc(c(o2)N)C#N
|
|
727
|
C([C@H](c1c(c(c(o1)O)[O-])O)O)O
|
|
728
|
CCN(CC)CC#CC1=CCCC1
|
|
729
|
c1cnoc1NC(=O)N2CCOCC2
|
|
730
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
731
|
Cn1c(=O)[nH]c(=O)c(n1)C#N
|
|
732
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
733
|
CCC(=O)Nc1nnn(n1)C
|
|
734
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
735
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
736
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
737
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
738
|
CC(C)N1CNc2nc(nn2C1)C(F)(F)F
|
|
739
|
c1c2c(n[nH]c1=O)CCOC2
|
|
740
|
c1ccc(cc1)SCN2CCOCC2
|
|
741
|
c1ccc(cc1)CCc2csnn2
|
|
742
|
CNC=CN/C1=CC(=O)c2ccccc2
|
|
743
|
c1ccc(cc1)Nc2nccs2
|
|
744
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
745
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
746
|
c1ccc2c(c1)nc(o2)c3c[nH]nc3
|
|
747
|
CS(=O)(=O)N1CCC[C@@H]1C#N
|
|
748
|
CN(C)C(=O)Sc1cccnc1
|
|
749
|
Cc1csc(n1)Sc2csc(n2)Cl
|
|
750
|
CC1[NH]C(=O)C(CN1)CC=C
|
|
751
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
752
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
753
|
c1ccc(cc1)C[C@H]2C(=O)COC2=O
|
|
754
|
c1ccc(cc1)C(=O)c2ncco2
|
|
755
|
Cc1nc(c(o1)N(C)C)C#N
|
|
756
|
c1c(c(n[nH]c1=O)[O-])CC(=O)[O-]
|
|
757
|
Cc1csc(n1)c2cc3ccccc3oc2=O
|
|
758
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
759
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
760
|
Cc1nnc2n1C[C@@H](S2)C
|
|
761
|
CC(=O)OC(C#C)OC(=O)C
|
|
762
|
C[C@@H]1C=C(C=C(NC1=O)C)C
|
|
763
|
c1cnn(c1)c2ccc(cc2)c3cnco3
|
|
764
|
c1ccc(cc1)Sc2ccccn2
|
|
765
|
COc1c2c(ncn1)CCNC2
|
|
766
|
c1ccc(cc1)C#CCS(=O)(=O)[O-]
|
|
767
|
Cc1cc(n(n1)CSc2ccccc2)C
|
|
768
|
c1cc(sc1)Cc2[n-]nnn2
|
|
769
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
770
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
771
|
Cc1nc(cs1)c2nnc(o2)N
|
|
772
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
773
|
CCOc1c(nc(o1)C#N)C
|
|
774
|
Cc1cc(no1)C(=O)N=[S@@](=O)(C)c2ccccc2
|
|
775
|
Cc1[n-]nc(n1)C(F)(F)F
|
|
776
|
C1CC(NNC1)/C=C/C2CCCO2
|
|
777
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
778
|
c1ccc(cc1)c2nncnn2
|
|
779
|
CC1C(SC(N1)C[C@@H](C)N2CC(CN2)CL)C(=O)C
|
|
780
|
Cc1cc2ncc(cn2n1)C#N
|
|
781
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
782
|
COC1NC2CCCCC2NN1
|
|
783
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
784
|
Cc1c(c(c2ncnn2n1)[O-])Cl
|
|
785
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
786
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
787
|
c1c(nc2c(n1)c(ncn2)[O-])[O-]
|
|
788
|
CCOC(=O)/N=c/1ccccn1[O-]
|
|
789
|
Cc1c(non1)NCNc2c(non2)C
|
|
790
|
c1ncn(n1)C(=O)NC2CCCCC2
|
|
791
|
CCS(=O)(=O)Nc1ccn(n1)C
|
|
792
|
c1cc(oc1)c2cc(no2)CO
|
|
793
|
C1CCC(CC1)NSC2CCCCC2
|
|
794
|
CCOC(=O)[C@@H]1COC(=N1)C
|
|
795
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
796
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
797
|
Cn1cc(cn1)c2cnccn2
|
|
798
|
c1cc2c3ccnn3nnc2cc1Cl
|
|
799
|
c1cc2c(nc1)S[C@@H](NC2=O)c3ccco3
|
|
800
|
c1ccc(cc1)Cc2cc(=O)c(c[nH]2)C(=O)N
|
|
801
|
Cc1coc2n1cc(n2)c3ccc(cc3)Cl
|
|
802
|
C=CCOC1CCNC(N1)N
|
|
803
|
CC(=O)NCCc1coc2c1ccnc2
|
|
804
|
C1CC([NH]C1)C(=O)OCC#N
|
|
805
|
CC1C(OC(N1)NC(=O)N(C)C2CC2)C
|
|
806
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
807
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
808
|
|
|
809
|
CCOC(=O)Nc1c(n[nH]n1)Cl
|
|
810
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
811
|
c1cc(c(cc1F)c2c(nc3n(c2=O)CCCC3)[O-])F
|
|
812
|
c1nc(no1)c2c(non2)N
|
|
813
|
C1CCC(C1)c2nnc(o2)N
|
|
814
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
815
|
Cn1c(ncn1)C(c2ncnn2C)(C(=O)[O-])O
|
|
816
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
817
|
c1c(c(=O)nc2n1CCO2)C#N
|
|
818
|
CC(=O)c1cc2cc[nH]c2nc1
|
|
819
|
CN(C)C1N/C(=[NH+]/CC2CCCO2)/SS1
|
|
820
|
c1ccc(cc1)NCn2cncn2
|
|
821
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
822
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
823
|
c1ccc(cc1)c2c3c(on2)CCNC3
|
|
824
|
Cc1nc(cs1)c2nc(cs2)C(=O)C
|
|
825
|
CCCc1nncn1NC(=O)OCC
|
|
826
|
Cn1ccnc1NCC2CC2
|
|
827
|
Cc1cnc(o1)CN2CCOCC2
|
|
828
|
c1cc(oc1)C(=O)c2nccs2
|
|
829
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
830
|
c1cc2c(nc1)NC3(N2)CCCCC3
|
|
831
|
CCS(=O)(=O)c1ccc2c(c1)nco2
|
|
832
|
CN(C)C(=O)Nc1[n-]nnn1
|
|
833
|
|
|
834
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
835
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
836
|
C1[C@@H](NCC1(F)F)C(=O)N
|
|
837
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
838
|
CC(=O)Nn1cnc2c1cccc2
|
|
839
|
c1cc(nn2c1nnn2)n3ccnc3
|
|
840
|
Cc1nn(c(=O)c2n1ccn2)CC(=O)OC
|
|
841
|
c1ccc2c(c1)nn(n2)c3cc(n[nH]3)O
|
|
842
|
|
|
843
|
CCOC(=O)c1c(ocn1)[C@@H]2COC(O2)(C)C
|
|
844
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
845
|
c1c(c(c(=O)n(n1)Cc2c(snn2)Cl)Cl)Cl
|
|
846
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
847
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
848
|
CCOC(=O)C1=NC(=O)N=C1Cn2ccnc2
|
|
849
|
C(CCCC#N)CCCC#N
|
|
850
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
851
|
c1cnc(cn1)NC2=NCCN2
|
|
852
|
CCOC(=O)[C@]1(N/C(=N/C)/O1)C(F)(F)F
|
|
853
|
C1CCC2C(C1)[C@H](CO2)NC3NCCCN3
|
|
854
|
C1CC(C1)c2nc(no2)CO
|
|
855
|
C[C@@H]1[C@@H](NC2C(CNCN2)N1)C
|
|
856
|
Cc1cc(nc(n1)Sc2ccc(nn2)Cl)C
|
|
857
|
C#CCSc1nn2cnnc2o1
|
|
858
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
859
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
860
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
861
|
c1cc(oc1)Cn2c(ccn2)N
|
|
862
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
863
|
CC(=O)c1c(n[n-]n1)NC(=O)c2ccccc2
|
|
864
|
Cc1cn2c(n1)sc(n2)NCC=C
|
|
865
|
c1cc2c(nc1)[C@@H](O[C@@H]2O)O
|
|
866
|
CC#CCCCCCCC#CC
|
|
867
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
868
|
C1CC/C(=C(C#N)/c2nnc3n2CCCC3)/NCC1
|
|
869
|
c1ccc(cc1)c2cnccn2
|
|
870
|
c1ccc(cc1)C2=COc3ccccc3O2
|
|
871
|
CC1(CO[C@@]2([C@@H]1O)OC[C@@H](O2)COC3CCCCC3)C
|
|
872
|
CSc1c(=O)nc(sn1)Nc2ccccc2
|
|
873
|
CN(C)[C@@H](C#N)c1ccco1
|
|
874
|
C1C=C2C(=C[C@@]1(CCO)N)OCO2
|
|
875
|
Cn1c(nnn1)SCC#C
|
|
876
|
c1ncn(n1)Cn2cncn2
|
|
877
|
C1CCC(CC1)S(=O)(=O)C2=C[C@@H](C[C@@H]2O)O
|
|
878
|
c1cc(oc1)c2c[nH]c(=O)nc2N
|
|
879
|
Cc1cc(no1)c2nc(on2)C(C)(C)C
|
|
880
|
CC1NC(ON1)CC2CCCS2
|
|
881
|
Cc1nc(cn1C)S(=O)(=O)Oc2ccccc2F
|
|
882
|
Cc1c2sc(n1)NC(=O)N2
|
|
883
|
COC1=CC(=O)O[C@@H]1CC#N
|
|
884
|
c1ccc2c(c1)nnn2S(=O)(=O)c3ccco3
|
|
885
|
c1cc(ccc1Oc2nc(ns2)Cl)F
|
|
886
|
CS(=O)(=O)NCc1ccccn1
|
|
887
|
CCOc1c(c([nH]n1)N)C#N
|
|
888
|
c1cc(nnc1)Br
|
|
889
|
c1cc(cc(c1)OCc2cscn2)N
|
|
890
|
c1ccc(cc1)NCS(=O)(=O)[O-]
|
|
891
|
c1ccc2c(c1)ncn2n3cccc3
|
|
892
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
893
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
894
|
C(C[C@@H]([C@@H](CO)O)O)CO
|
|
895
|
Cc1nnc2n1nc(s2)C
|
|
896
|
c1cc(sc1)S(=O)(=O)n2cccn2
|
|
897
|
Cc1nnc(n1N)Sc2nccc(n2)OC
|
|
898
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
899
|
CCOC1NC(C(NN1)F)[O-]
|
|
900
|
c1cc(oc1)/C=C/c2nn3cnnc3s2
|
|
901
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
902
|
|
|
903
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
904
|
c1ccc(cc1)Nc2ccccn2
|
|
905
|
CCc1nnc(s1)[N-]S(=O)(=O)N2CCCCC2
|
|
906
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
907
|
CNC1=N[C@@H]2CCCC[C@@H]2O1
|
|
908
|
CSC1NCCC(N1)C#N
|
|
909
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
910
|
C1NC-2C3NN[N-]N3CNC2N1
|
|
911
|
c1csc(n1)n2cnnc2
|
|
912
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
913
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
914
|
CC(C)(C)OC(=O)NCC#C
|
|
915
|
CC(=O)c1n[nH]c2n1ncc2
|
|
916
|
C[C@@H](Nc1nccs1)n2cncn2
|
|
917
|
C[C@@]1(C(OC(=O)N1CCc2c[nH+]c[nH]2)(C)C)O
|
|
918
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
919
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
920
|
c1ccc(cc1)c2cn(c(=O)o2)c3ccccc3
|
|
921
|
COc1cccc(c1)S(=O)(=O)[C@@H]2CC=NC2
|
|
922
|
CN(C)C(=O)Nc1n[n-]nn1
|
|
923
|
c1cc(sc1)C(=O)[C@@H]2CCC(=O)O2
|
|
924
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
925
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
926
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
927
|
C1=C[C@@H]2[C@H]3[C@H]([C@H]1O2)C(C3(F)F)(F)F
|
|
928
|
c1ccc2c(c1)OC(=Cc3ccco3)O2
|
|
929
|
CC(=O)Nc1c2c(no1)CCC2
|
|
930
|
CCOC(=O)[C@@H](CC#N)C#N
|
|
931
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
932
|
Cn1ccnc1CSc2nncn2C3CC3
|
|
933
|
C1CCN(C1)S(=O)(=O)N
|
|
934
|
Cc1c(sc(n1)C)S(=O)(=O)N2CCCCC2
|
|
935
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
936
|
c1ncn(n1)Sn2cncn2
|
|
937
|
c1nc2c(c(n1)[O-])nsc2C(=O)[O-]
|
|
938
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
939
|
CC1C(NON1)C(=O)N(C)C
|
|
940
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
941
|
C1NC2C(C(N1)N)SNC2[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
942
|
CN1C2C(C(=O)[NH]1)NCCN2
|
|
943
|
C1CCC(CC1)N2CNc3nnnn3C2
|
|
944
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
945
|
CS(=O)(=O)NCc1ccco1
|
|
946
|
C([C@@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O
|
|
947
|
C[C@@H](c1ccccc1)N(C)Cc2nccn2C
|
|
948
|
Cc1cc(nc(n1)Nc2[nH]ncn2)C
|
|
949
|
CCOC(=O)N1CCc2c(nc([nH]c2=O)N)C1
|
|
950
|
C/C=C/[C@@H]1[C@@H]([C@@H](C2=C(O1)[C@@](OC2=O)(C)O)O)O
|
|
951
|
CC=C(C(=O)N/C1=C/c2ccccn2)C
|
|
952
|
CCCN(CCC)CC#CC1=CC=CCC1
|
|
953
|
C12C(NC(S1)C(=O)[O-])SC(N2)C(=O)[O-]
|
|
954
|
Cc1c(nn2cc(nc2n1)c3ccccc3)C
|
|
955
|
CC(=O)Nc1coc2c1cccc2
|
|
956
|
CN(C)c1nc(nc(n1)N)CN2CCNC(=O)C2
|
|
957
|
Cn1ccnc1COc2ccc(cc2)N
|
|
958
|
CN1CNC(=O)c2c1n[nH]n2
|
|
959
|
Cn1c(=O)cc([nH]1)c2ccccc2
|
|
960
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
961
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
962
|
c1[nH]c(=O)c2c(n1)NC(=O)C2
|
|
963
|
CCOC(=O)C1=NOC(=O)[C@H]1C
|
|
964
|
CS(=O)(=O)c1cccnn1
|
|
965
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
966
|
c1ccc(cc1)c2cccnn2
|
|
967
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
968
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
969
|
|
|
970
|
c1cnc2c(n1)c(cs2)N
|
|
971
|
Cc1ccc(cc1)S(=O)(=O)n2c(nnn2)[O-]
|
|
972
|
c1ccc(cc1)Oc2ccccn2
|
|
973
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
974
|
Cc1cc(n(n1)c2[n-]nnn2)C
|
|
975
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
976
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
977
|
CCCCC#C/C=C/COC(=O)C
|
|
978
|
c1cc(cnc1)CCNCc2cscn2
|
|
979
|
c1ccc(cc1)c2nc3[nH]ncn3n2
|
|
980
|
C=Cc1nc(cs1)C(=O)[O-]
|
|
981
|
c1ccc(cc1)C(=O)Nc2cc[nH]n2
|
|
982
|
CC1=CC(=NS(=O)(=O)N1)C
|
|
983
|
C1[C@@H]([C@H](O[C@H]1[C@@H]2C=CC=NC2=O)CO)O
|
|
984
|
CSc1nnc(o1)Cn2cnc(c2Cl)Cl
|
|
985
|
c1ccc(cc1)C2=CC[C@@](C=C2)(C#N)F
|
|
986
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
987
|
CC1(Cc2cccc(c2O1)Oc3ccc(cn3)C#N)C
|
|
988
|
Cc1nc(sn1)c2ccc(nn2)OC
|
|
989
|
c1ccc(cc1)OCc2nnco2
|
|
990
|
c1ccc(cc1)NCc2cccs2
|
|
991
|
CSC1NNC(S1)C2CCCS2
|
|
992
|
C/C(=C/C(=O)[O-])/C(F)(F)F
|
|
993
|
c1nncn1/N=N/n2cnnc2
|
|
994
|
CO[C@@H]1[C@H]2CC(=O)O[C@H]2CO1
|
|
995
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
996
|
c1ccnc(c1)C#CCN2CCCCC2
|
|
997
|
[H]/N=c/n(ccs1)CC(=O)[O-]
|
|
998
|
C1CCc2c(nc(nn2)N)C1
|
|
999
|
c1ccc(cc1)S(=O)(=O)Nc2[n-]cnn2
|
|
1000
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
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