(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
2
|
Cc1cc([nH]n1)OCCC#N
|
|
|
3
|
CC1=C(OC2=NC(=O)C[C@@]12C#N)C
|
|
|
4
|
CCOC1=CC(=O)N(C1)CC#C
|
|
|
5
|
CCOC(=O)[C@@H](CC#N)C#N
|
|
|
6
|
CCOc1c(nc(o1)C#N)C
|
|
|
7
|
c1c(c(n[nH]1)n2cnnc2)N
|
|
|
8
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
9
|
CC1=CC(=O)N=[S@@](=O)(O1)O
|
|
|
10
|
c1ccc(cc1)Cc2ccn[nH]2
|
|
|
11
|
Cc1ccc(cc1)N=S=O
|
|
|
12
|
c1ccc(cc1)C(=O)C(O)O
|
|
|
13
|
C1C(=O)CC2NN[NH]N2C1N
|
|
|
14
|
CCCN1CCC(C1)C(=O)C
|
|
|
15
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2c[nH]n3)O
|
|
|
16
|
c1cc(cc(c1)n2cccn2)c3[n-]nnn3
|
|
|
17
|
Cc1cc(c(c(=O)o1)c2ccn[nH]2)[O-]
|
|
|
18
|
CC#CCC/C=C(/C)CCO
|
|
|
19
|
CCOC(=O)C1=NOC(=O)[C@H]1C
|
|
|
20
|
COC(=O)[C@@H]1CC2CNCN2C(=O)N1
|
|
|
21
|
C[C@@H]1[C@@H](Nn2c(nnn2)N1)C
|
|
|
22
|
CC(C)c1cc(cc(=O)o1)[O-]
|
|
|
23
|
COC1=CC(=O)O[C@@H](C1)C2CCCO2
|
|
|
24
|
Cc1[nH]nc(n1)c2ccccc2
|
|
|
25
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
|
26
|
Cc1c(cco1)c2nnc(o2)N
|
|
|
27
|
CCOC(=O)c1[nH]nc(n1)N
|
|
|
28
|
Cc1nc(c(o1)N(C)C)C#N
|
|
|
29
|
Cc1c(non1)c2ccn[nH]2
|
|
|
30
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
|
31
|
C/C=C/[C@@H]1CC(=CC(=O)O1)OC
|
|
|
32
|
Cc1cc(co1)C(=O)n2ccnc2
|
|
|
33
|
c1c([nH]nc1C(=O)[O-])C2CC2
|
|
|
34
|
CC1=CC=N(=C(C#N)C#N)C=C1
|
|
|
35
|
CCOC(=O)[C@]1(N/C(=N/C)/O1)C(F)(F)F
|
|
|
36
|
Cc1cc(n(n1)c2[n-]nnn2)C
|
|
|
37
|
COC(=O)c1ccc(o1)C#N
|
|
|
38
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
|
39
|
c1cc2c(=O)[nH]nc(n2c1)[O-]
|
|
|
40
|
CC1=C(CC(=O)N1)C(=O)OC
|
|
|
41
|
CN1CC2C(N1)CNN(C2=O)C
|
|
|
42
|
C1CC(=O)NC[C@@H]1C(F)(F)F
|
|
|
43
|
[C@H]12[C@H]([C@@H]1C(=O)[O-])C(=O)N=C2[O-]
|
|
|
44
|
CC1CC(=O)CC(O1)C(=O)[O-]
|
|
|
45
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
|
46
|
C=CCNC(=O)n1ccnc1
|
|
|
47
|
c1ccc(cc1)c2cc(cc(=O)o2)[O-]
|
|
|
48
|
C(#N)C(C(C#N)(F)F)(F)F
|
|
|
49
|
c1c(c2c(s1)nns2)C#N
|
|
|
50
|
C1CCC(C1)(C#N)NCCO
|
|
|
51
|
CCCCCC#COC(=O)OC
|
|
|
52
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
|
53
|
c1cc(cnc1)C(=O)c2ccco2
|
|
|
54
|
CC(C)c1nc([nH]n1)CC#N
|
|
|
55
|
CC(C)[C@@H]1n2cccc2C(=O)O1
|
|
|
56
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
57
|
CNc1ccc(cc1F)C#N
|
|
|
58
|
c1cc(oc1)c2nnc(o2)[O-]
|
|
|
59
|
COC1=CC(=O)O[C@@H]1CC#N
|
|
|
60
|
C1CC([NH]C1)C(=O)OCC#N
|
|
|
61
|
c1cc(sc1)C(=O)n2cccn2
|
|
|
62
|
C(COCCOCCO)O
|
|
|
63
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
64
|
c1cn(cn1)C(=O)OCC#N
|
|
|
65
|
Cc1cc(n2c(n1)nnn2)[O-]
|
|
|
66
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
67
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
68
|
c1cc(c2nncn2c1)Cl
|
|
|
69
|
CN1C(=C/C(=C/2N=NC(=[NH2+])O2)/NC1=O)[O-]
|
|
|
70
|
c1nc(nn1CCC#N)N=N=N
|
|
|
71
|
CC12C(NC(=O)N1)NC(=O)N2
|
|
|
72
|
CCOC(=O)C[C@@H](CF)O
|
|
|
73
|
COc1cc(n[nH]c1=O)Cl
|
|
|
74
|
c1cc(oc1)c2nc(c(o2)N)C#N
|
|
|
75
|
CN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)NC1=O)O
|
|
|
76
|
Cc1cc(on1)c2c(nco2)C(=O)[O-]
|
|
|
77
|
c1ccc(cc1)[C@@H]2CC(=O)Nc3c2snc3C(=O)[O-]
|
|
|
78
|
c1nc(nn1CC(F)(F)F)N
|
|
|
79
|
c1ccn(c1)c2nncs2
|
|
|
80
|
c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2
|
|
|
81
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)s2
|
|
|
82
|
COC1CC(C1)(C#N)BR
|
|
|
83
|
C=CC[C@@H]1CCCCC(=O)N1
|
|
|
84
|
C#Cc1ccc(c(c1)Cl)N
|
|
|
85
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
|
86
|
c1cc2c(c(c1)F)CC(=O)N2
|
|
|
87
|
COC(=O)c1csc2c1nns2
|
|
|
88
|
CC(=O)OC/C=C/OC(=O)C
|
|
|
89
|
C[C@@H]1Cc2c(cn[nH]2)C(=O)C1
|
|
|
90
|
c1ccc2c(c1)[nH]c3n2ncn3
|
|
|
91
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
92
|
Cc1ccc(n1NC(=O)C)C
|
|
|
93
|
C1CC2(CC2)[C@@H]3[C@@H]1NC(=O)C3
|
|
|
94
|
C1CCC2(CC1)CNC(=O)O2
|
|
|
95
|
[H]/N=c/n(c(c(s1)C#N)N)C=C
|
|
|
96
|
CCOc1c(c([nH]n1)N)C#N
|
|
|
97
|
Cc1c2cc(sc2n(n1)C)CO
|
|
|
98
|
Cc1cc(cc2n1nnn2)O
|
|
|
99
|
CCCC[C@@]1(CN(C(=O)OC1)C)CC
|
|
|
100
|
c1ccn(c1)c2c(non2)N
|
|
|
101
|
c1nc(c(n1CCO)N)C#N
|
|
|
102
|
C(#N)C(F)(F)Br
|
|
|
103
|
CC(C)(C)Nc1[n-]c(c(n1)C#N)C#N
|
|
|
104
|
CC(=O)OC(C#C)OC(=O)C
|
|
|
105
|
Cc1cc2c(cn1)C(=O)OCC2
|
|
|
106
|
c1c2cn[nH]c2cnc1Cl
|
|
|
107
|
CSc1c(c([nH]n1)N)C#N
|
|
|
108
|
c1cc(sc1)c2c[nH]nc2
|
|
|
109
|
CCC[C@@H](C(F)(F)Cl)O
|
|
|
110
|
C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O1)O3
|
|
|
111
|
c1cncc2c1nc(o2)Cl
|
|
|
112
|
c1ccc(cc1)c2cnns2
|
|
|
113
|
CO[C@@H]1[C@H]2CC(=O)O[C@H]2CO1
|
|
|
114
|
C1C[C@@]23CC=CC[C@]2(C1)NC3=O
|
|
|
115
|
Cn1c(nc(n1)Br)n2ccnc2
|
|
|
116
|
CCOC(=O)[C@@H]1CC=CN1C(=O)C
|
|
|
117
|
C(C(C(F)(F)F)(F)F)O
|
|
|
118
|
C(C(F)(F)F)C(F)(F)F
|
|
|
119
|
c1cc(cc(c1)N)c2cocn2
|
|
|
120
|
c1cc(sc1)c2ccn[nH]2
|
|
|
121
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
|
122
|
CC1CCC(CC1)(C#N)NC
|
|
|
123
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
124
|
Cc1c(n2c(c1C#N)NC(=O)CCC2)C
|
|
|
125
|
c1c(nc2nncn2c1[O-])[O-]
|
|
|
126
|
c1cc2c(cc1O)CC(=O)O2
|
|
|
127
|
C=CCOc1cccnc1N
|
|
|
128
|
|
|
|
129
|
CO/C=C/1C(=CC(=O)O1)OC
|
|
|
130
|
Cc1c(n2ccccc2n1)c3ccn[nH]3
|
|
|
131
|
c1cc(oc1)c2cc(=O)n3cnnc3s2
|
|
|
132
|
Cc1cc(nn2c1nnc2)O
|
|
|
133
|
c1ccc(cc1)[C@@H]2CNC(=O)N2
|
|
|
134
|
[H]/N=c/n(nc(s1)Br)CC=C
|
|
|
135
|
CCOC(=O)Cn1nnnn1
|
|
|
136
|
Cc1c(cco1)Br
|
|
|
137
|
C1C[C@@H]2C[C@H]1C[C@@]2(C#N)CL
|
|
|
138
|
c1ccc(cc1)Cc2nnco2
|
|
|
139
|
c1c(noc1N)C2CCCC2
|
|
|
140
|
CC(=O)OC1=CC[C@@H]2C[C@H]1C2(C)C
|
|
|
141
|
[H]/N=c/n(ccs1)CC(=O)[O-]
|
|
|
142
|
Cn1c(ncn1)C(=O)C2CC2
|
|
|
143
|
CCOC(=O)[C@@H]1CC=C(C1)C
|
|
|
144
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
|
145
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
|
146
|
c1c2cc(oc2ncc1F)CO
|
|
|
147
|
CCCOSOCCC
|
|
|
148
|
C(CNCC(F)(F)F)C#N
|
|
|
149
|
COC(=O)c1cc(=O)nc(s1)N
|
|
|
150
|
C1CC(C1)c2nc(no2)CO
|
|
|
151
|
C1CC1NC(=O)C2(CC2)C#N
|
|
|
152
|
c1nc2n(n1)[C@@H](C(=O)N2)CC(=O)[O-]
|
|
|
153
|
c1cc(oc1)c2cc(on2)N
|
|
|
154
|
c1cc(oc1)c2c(nns2)C(=O)N
|
|
|
155
|
Cc1cc2c(o1)CCCC2=O
|
|
|
156
|
COC[C@@H](C(OC)OC)O
|
|
|
157
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
|
158
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
159
|
c1cnn(c1)CC(F)(F)F
|
|
|
160
|
CCO[C@@H]1C(C(=NC(=O)N1)[O-])(F)F
|
|
|
161
|
c1ccc(cc1)CCOn2ccnc2
|
|
|
162
|
c1c(c(on1)C2CC2)C(=O)[O-]
|
|
|
163
|
C([C@@H](CO)O)N1C(=O)SC(N1)N
|
|
|
164
|
c1c(cn[nH]c1=O)N2CCCC2
|
|
|
165
|
C1CCC(C1)c2nnc(o2)N
|
|
|
166
|
CCOC(=O)[C@@H]1C=C1C(C)(C)O
|
|
|
167
|
C(CF)NC(=O)NCCF
|
|
|
168
|
C(CCCC#N)CCCC#N
|
|
|
169
|
Cc1c(c[nH]n1)c2ccccc2
|
|
|
170
|
c1ccc(cc1)c2cncs2
|
|
|
171
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
|
172
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
|
173
|
Cc1ccc(o1)/C=C(C)/CO
|
|
|
174
|
CCOC=C(c1nnco1)c2nnco2
|
|
|
175
|
Cc1ccc(n1n2cnnc2)C
|
|
|
176
|
c1cc(cc(c1)N)CC(=O)[O-]
|
|
|
177
|
Cc1cc(n(n1)C(=O)OC)C
|
|
|
178
|
c1cc(sc1)c2c(non2)N
|
|
|
179
|
|
|
|
180
|
CCCCC#C/C=C/COC(=O)C
|
|
|
181
|
Cc1c(c(=O)n([nH]1)C)CCO
|
|
|
182
|
c1cccc(c1)CC/C2=CC(=O)[O-]
|
|
|
183
|
CCC#CC(OCC)OCC
|
|
|
184
|
C1C[C@@H]2C[C@H]1C3C2SC(C3F)F
|
|
|
185
|
Cc1csc(n1)c2c(non2)N
|
|
|
186
|
CC(=O)Oc1cc(oc(=O)c1)O
|
|
|
187
|
COC(=O)c1ncn(n1)CC#N
|
|
|
188
|
CCCn1c(ccn1)C2CC2
|
|
|
189
|
CC1CCC2C(C1)NNS2
|
|
|
190
|
Cn1cc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
191
|
C1C(SC(N1)N)[C@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
192
|
COC(=O)c1cc2c(s1)c(n[nH]2)N
|
|
|
193
|
CC1(O[C@@H]2[C@@H]3C[C@H]([C@@H]2O1)NC3=O)C
|
|
|
194
|
c1coc2c1cc(cc2O)F
|
|
|
195
|
c1ccn2cc(nc2c1)CC#N
|
|
|
196
|
COc1cc(=O)nc(o1)c2ccco2
|
|
|
197
|
CCOc1c(=O)c(=O)c1OCC
|
|
|
198
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
|
199
|
Cn1c(ccn1)c2nnc(o2)N
|
|
|
200
|
COC1NCC(C(N1)[O-])C#N
|
|
|
201
|
CS(=O)(=O)Nn1cnnc1
|
|
|
202
|
Cc1c(sc2c1c(=O)[nH]nn2)C
|
|
|
203
|
Cc1c(nccn1)c2ccn[nH]2
|
|
|
204
|
|
|
|
205
|
c1cc(sc1)c2[n-]nnn2
|
|
|
206
|
CSc1ccc(s1)C#N
|
|
|
207
|
c1ccc(cc1)Cn2cncn2
|
|
|
208
|
CCn1c2cc(=O)[nH]c(c2c(n1)N)[O-]
|
|
|
209
|
CN1CCC=C1c2cccnc2
|
|
|
210
|
CC(=CCC/C(=C/CO)/C)C
|
|
|
211
|
c1cc(cnc1)Br
|
|
|
212
|
Cc1c(c(on1)C)CCC#N
|
|
|
213
|
Cc1c[nH]nc1C(F)(F)F
|
|
|
214
|
CCOC1CCCC2N1CNN2
|
|
|
215
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
|
216
|
CC(=O)c1ccc(s1)C#N
|
|
|
217
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
|
218
|
c1cc2c(c(c1)Cl)[nH]nn2
|
|
|
219
|
c1ccc-2c(c1)CCc3c2cn[nH]3
|
|
|
220
|
CCCc1c(snn1)CC
|
|
|
221
|
c1(c(oc(=O)o1)Cl)Cl
|
|
|
222
|
c1ccc2c(c1)n3cnnc3s2
|
|
|
223
|
C1[C@@H](NCC1(F)F)C(=O)N
|
|
|
224
|
CC(=O)NC1=NC(=O)CN1C
|
|
|
225
|
CC1(OC[C@@H](O1)/C=C/CO)C
|
|
|
226
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
|
227
|
c1coc(=O)cc1Br
|
|
|
228
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
|
229
|
C1CCC(CC1)[C@@H]2CC(=O)OC2
|
|
|
230
|
COc1ccc2c(c1)C[C@@H]2O
|
|
|
231
|
Cc1c(c(n[nH]1)C)SCC(=O)[O-]
|
|
|
232
|
CCOC(=O)[C@@H]1COC(=N1)C
|
|
|
233
|
c1c(c(=O)nc2n1CCO2)C#N
|
|
|
234
|
CC(=O)Nn1cnc2c1cccc2
|
|
|
235
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
|
236
|
Cc1ccc2c(c1)nnc(n2)N
|
|
|
237
|
c1c(non1)c2c(non2)N
|
|
|
238
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
|
239
|
c1cc(oc1)c2cc(no2)CO
|
|
|
240
|
c1cnn2c1N[C@H](CC2=O)CO
|
|
|
241
|
CCC(=O)OC/C=C/C=C/C
|
|
|
242
|
C[C@@H]1NC(=O)c2ccccc2O1
|
|
|
243
|
C1COCCN1C(=O)CC#N
|
|
|
244
|
C1CCN(C1)c2c(nns2)CO
|
|
|
245
|
CCOC(=O)c1cn[nH]c1Cl
|
|
|
246
|
CCCCCC(=O)OCC#C
|
|
|
247
|
CC(=O)Nn1c2ccccc2nn1
|
|
|
248
|
Cn1cc(cn1)c2ccncc2
|
|
|
249
|
CCC(=O)Oc1c(n[nH]c1N)C
|
|
|
250
|
CCCCCCC1CN[NH]N1
|
|
|
251
|
CC(=O)OC1C2C3C2C4C3C41
|
|
|
252
|
Cc1ccc(cc1)c2cnon2
|
|
|
253
|
CCc1c(nc(n1C#N)CC)C
|
|
|
254
|
C(COCC(F)(F)F)C#N
|
|
|
255
|
Cc1c(c(n(n1)C)Cl)C#N
|
|
|
256
|
CCOC(=O)[C@H]1[C@H]2[C@@H]1OC=C2
|
|
|
257
|
c1cc(ccc1[C@@H](c2ccns2)O)F
|
|
|
258
|
C1C=C2C(=C[C@@]1(CCO)N)OCO2
|
|
|
259
|
CCCCN(CCCC)CC#C
|
|
|
260
|
CC1=CC(=O)O[C@@H]1CC(=O)[O-]
|
|
|
261
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
262
|
CC[C@@](C)(c1nnn(n1)C)O
|
|
|
263
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
|
264
|
Cc1cccc(n1)n2ccnc2
|
|
|
265
|
Cc1c(c2ccccc2o1)C#N
|
|
|
266
|
C1CC1C(=CC(=O)[O-])C2CC2
|
|
|
267
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
|
268
|
c1c2c(c(s1)C#N)OCCO2
|
|
|
269
|
C1COC(=O)[C@@H]1C(F)(F)F
|
|
|
270
|
Cc1cc(=O)[nH]c2c1CCO2
|
|
|
271
|
c1ccc2c(c1)nnn2c3nnns3
|
|
|
272
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
|
273
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)o2
|
|
|
274
|
Cc1c(nc([nH]1)C=C)C(=O)C
|
|
|
275
|
c1cc(sc1)c2cc(=O)ss2
|
|
|
276
|
CN(C)C1=CC(=O)N2C1CCC2
|
|
|
277
|
COC(=O)c1cc2c(n1C(=O)OC)snn2
|
|
|
278
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
|
279
|
Cc1c(c(sn1)NC)C#N
|
|
|
280
|
CC1=CNC(=O)CC(C1)(C)C
|
|
|
281
|
c1c(nc2cnnn2c1[O-])[O-]
|
|
|
282
|
CO[C@@H]1C=C[C@@](O1)(CO)OC
|
|
|
283
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
|
284
|
C[C@@H](C1CCCS1)NC2=NCCO2
|
|
|
285
|
c1cn[nH]c1c2ccsc2
|
|
|
286
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
|
287
|
CC1(OC(=C(O1)C(=O)N)C(=O)N)C
|
|
|
288
|
CSc1[nH]c(=O)cc(n1)c2ccoc2
|
|
|
289
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
290
|
Cc1ccc(cc1)n2cnnn2
|
|
|
291
|
c1ccc(cc1)n2cnc(n2)[O-]
|
|
|
292
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
|
293
|
Cc1c2cc(ccc2[nH]n1)F
|
|
|
294
|
c1c2n(cn1)[C@@H](CCC2)CCCC#N
|
|
|
295
|
c1cc2c(c(c1)F)c(no2)N
|
|
|
296
|
c1ccc(cc1)CNc2c(non2)O
|
|
|
297
|
c1cc(oc1)COCCC#N
|
|
|
298
|
c1cscc1c2nnc(o2)N
|
|
|
299
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
|
300
|
c1cc(oc1)c2c(snn2)C(=O)[O-]
|
|
|
301
|
COC(=O)N1CCCNC(=O)C1
|
|
|
302
|
CC(=O)O/C=C/CC(=O)OC
|
|
|
303
|
C1C[C@@H](C(=O)C1)C(F)(F)F
|
|
|
304
|
CC1=CC(=O)O[C@@H](C1)c2ccccc2
|
|
|
305
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
|
306
|
CN(C)[C@@H](C/C=C/CC=C)C#N
|
|
|
307
|
c1cn(cn1)c2cc(=O)[nH]c(n2)N
|
|
|
308
|
CCOC(=O)c1c([nH]c(=O)[nH]1)C
|
|
|
309
|
CCCC[C@@H](CC)C1=NCCO1
|
|
|
310
|
CCOC(=O)[C@@H](C#N)C1=NCCC1
|
|
|
311
|
c1ccc2c(c1)c3c(s2)C(=O)NCC3
|
|
|
312
|
c1cn2c(cc1=O)C(=O)NCC2
|
|
|
313
|
CC(=O)Nc1c(cn[nH]1)C#N
|
|
|
314
|
CCCN1CC(=C(C1=O)C#N)[O-]
|
|
|
315
|
c1cc(oc1)c2nnc(s2)N
|
|
|
316
|
CNC(=O)N/C=C/c1ccco1
|
|
|
317
|
CC1=N[C@@](C(=O)O1)(C)NC(=O)C
|
|
|
318
|
|
|
|
319
|
Cc1c(cccc1Cl)C#N
|
|
|
320
|
C1CC2C(C(N[NH]C2=O)[O-])C1
|
|
|
321
|
CC#CC#Cc1cccc(=O)o1
|
|
|
322
|
COC(=O)C#CBr
|
|
|
323
|
CCOC(=O)c1c(c([nH]n1)C)N
|
|
|
324
|
c1c(=O)cc(n2c1CCC2)O
|
|
|
325
|
CCOC(=O)C1CC(=O)SS1
|
|
|
326
|
C1CNNCC1CCC(=O)[O-]
|
|
|
327
|
CC1=CC(=NS(=O)(=O)O1)[O-]
|
|
|
328
|
COC(=O)N[C@@H]1CC=CC[C@@H]1F
|
|
|
329
|
C/C=C/C=C/C1=CC(=O)CCN1
|
|
|
330
|
c1cc(sc1)[C@H]2CCCN2CCC#N
|
|
|
331
|
c1ccc(cc1)[C@H]2[C@H](C(=O)N2)O
|
|
|
332
|
CC(=O)c1csc(n1)c2ccno2
|
|
|
333
|
c1cc(oc1)CNc2[n-]nnn2
|
|
|
334
|
Cc1cc2c(o1)ccc3c2non3
|
|
|
335
|
COC(=O)C1=C([C@@H]2CC[C@H]1O2)C(=O)OC
|
|
|
336
|
CNC1=N[C@@H]2CCCC[C@@H]2O1
|
|
|
337
|
Cc1nc(cs1)c2nnc(o2)N
|
|
|
338
|
c1ccc(c(c1)c2nnco2)O
|
|
|
339
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
340
|
CC1=C(OS(=O)(=O)N=C1[O-])C2CCCCC2
|
|
|
341
|
c1c(n2c(n1)CCC2)C(=O)[O-]
|
|
|
342
|
C1CCC2C(C1)OC(=O)NS(=O)(=O)O2
|
|
|
343
|
CCc1ccc(cn1)SC
|
|
|
344
|
COC(=O)CC1=NCCOC1=O
|
|
|
345
|
Cc1nc2nncn2c(n1)[O-]
|
|
|
346
|
Cc1c(non1)c2[n-]nnn2
|
|
|
347
|
CC(C)n1c(c(cn1)C#N)N
|
|
|
348
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
|
349
|
COC(=O)C1CSCCC1=O
|
|
|
350
|
c1ccc(cc1)[C@@H]2CC(=O)NC2
|
|
|
351
|
C1Cc2c(ssc2=O)C1
|
|
|
352
|
c1cc(sc1)C(=O)[C@@H]2CCC(=O)O2
|
|
|
353
|
c1cc2c(cc1Br)C=C2
|
|
|
354
|
Cc1cc(nc(n1)[O-])C(=O)N
|
|
|
355
|
C1CC(OC1)C2NC(=O)[NH]C(=O)S2
|
|
|
356
|
c1cn2c(=O)cc([nH]c2n1)[O-]
|
|
|
357
|
Cc1c2c(nc(s2)C#N)n(n1)C
|
|
|
358
|
c1csc(c1n2cnnn2)C(=O)[O-]
|
|
|
359
|
CC1=C([C@@H](C1)C(=O)N)C(=O)N
|
|
|
360
|
C=C=CCC(=O)N1CCCC1
|
|
|
361
|
c1nncn1c2[n-]c(nn2)N
|
|
|
362
|
CS(=O)(=O)N1CCC[C@@H]1C#N
|
|
|
363
|
Cc1c(ccc(n1)Cl)C#N
|
|
|
364
|
CN(C)[C@@H](C#N)c1ccco1
|
|
|
365
|
COC(=O)Nc1cc(cc(=O)o1)O
|
|
|
366
|
C/C=C/c1c2c(on1)C[C@@H](OC2=O)C
|
|
|
367
|
C1CC(=O)O[C@@H]1c2nc(c(o2)N)C#N
|
|
|
368
|
c1ccc(cc1)Cn2cnnn2
|
|
|
369
|
C=CCc1cc(ccc1O)O
|
|
|
370
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
371
|
c1cnc(c(n1)C#N)n2ccnc2
|
|
|
372
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
|
373
|
c1nc2n(n1)C(=O)[C@@H](S2)CCO
|
|
|
374
|
C(C(F)(F)Cl)(F)(F)Cl
|
|
|
375
|
c1c(c(nc(c1F)[O-])[O-])C#N
|
|
|
376
|
CCOC(=O)N1CC[C@@H](C=C1)O
|
|
|
377
|
[H]/N=c/c(c(n(s1)CC=C)N)C#N
|
|
|
378
|
CCOC(=O)CC/C=C/C#C
|
|
|
379
|
C(C[C@@H]([C@@H](CO)O)O)CO
|
|
|
380
|
Cc1cc(=O)oc2c1c(n[nH]2)C
|
|
|
381
|
c1nc2n(n1)C(=O)CC(=N2)[O-]
|
|
|
382
|
C1Cc2nnc(n2C1)C(=O)[O-]
|
|
|
383
|
COc1cc(c(s1)C(=O)OC)OC(=O)c2ccco2
|
|
|
384
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
385
|
CCCCC#CC(=O)OCC
|
|
|
386
|
Cc1cc(cc([o+]1)C)SC
|
|
|
387
|
CC1=C[C@@H](CC(=O)N1)c2ccco2
|
|
|
388
|
c1cnc(=O)n2c1SCC2=O
|
|
|
389
|
CCCc1nncn1NC(=O)OCC
|
|
|
390
|
CCCCC[C@@H](CC)OC#C
|
|
|
391
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
|
392
|
C=CCC(CC=C)(CC=C)O
|
|
|
393
|
C1CCC2=C(C1)C3=NC(=O)CN3C(=O)N2
|
|
|
394
|
CN1C=C[C@@H]2[C@@H](C[C@@H]2C1=O)C#N
|
|
|
395
|
c12c(=O)[nH]sc1snc2Cl
|
|
|
396
|
CC1CCC(O1)C2CCCC(=O)O2
|
|
|
397
|
CCCCO[C@@H](C)n1cnnc1
|
|
|
398
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
399
|
C[C@@H](Cc1ccco1)NC(=O)C
|
|
|
400
|
COc1cnc(o1)C(=O)OC
|
|
|
401
|
Cn1cnnc1SCC#C
|
|
|
402
|
CC1(O[C@@H]2COC(=O)[C@@H]2O1)C
|
|
|
403
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
404
|
CC1C2C(NN1C)CCOC2=O
|
|
|
405
|
Cc1c2cnsc2n(n1)c3ccccc3
|
|
|
406
|
CCCCCS(=O)(=O)N
|
|
|
407
|
c1ccc(cc1)NCC(=O)[O-]
|
|
|
408
|
CCc1cc(cc([o+]1)CC)C
|
|
|
409
|
Cc1c(cn(n1)C)n2cnnn2
|
|
|
410
|
C1C[NH+]=CC=C(N1)C(F)(F)F
|
|
|
411
|
Cn1cccc1CNc2[n-]nnn2
|
|
|
412
|
c1c(nn2c1OCCC2)CO
|
|
|
413
|
Cc1cc2c(cco2)c(=O)o1
|
|
|
414
|
CC(=O)[C@@H](C1CCCCC1)O
|
|
|
415
|
CCn1cc(cn1)c2ccno2
|
|
|
416
|
c1c2c(c([nH]1)Br)CCS2(=O)=O
|
|
|
417
|
Cc1cc(n(n1)C(=O)NC)C
|
|
|
418
|
|
|
|
419
|
CN1[C@@H]2[C@@H](C(=NC1=O)[O-])N=C(N2)Cl
|
|
|
420
|
CC(=O)N1CN(C=C1)C(=O)C
|
|
|
421
|
C=CCOC1CCNC(N1)N
|
|
|
422
|
Cc1ccc(nc1C)c2ccoc2
|
|
|
423
|
C1C(=O)N=C2C=CC=CN2C1=O
|
|
|
424
|
c1ccc(cc1)C2=CC(=O)OC2
|
|
|
425
|
Cc1cc-2n(c1)CCn3c2ccc3
|
|
|
426
|
C1C[C@H]2C=C[C@@H]1[C@@H]([C@H]2C#N)C#N
|
|
|
427
|
COC(=O)C1=NC(=CC(=O)C1)C(=O)OC
|
|
|
428
|
Cc1c(scn1)OC(=O)C
|
|
|
429
|
Cc1[nH]c(c(n1)Cl)Cl
|
|
|
430
|
CC1(OC[C@@H](O1)CC(=O)N)C
|
|
|
431
|
C[C@@H]1CCO[C@@H](C1)C=C(C)C
|
|
|
432
|
c1ccc(cc1)[C@@H]2CCC(=O)O2
|
|
|
433
|
Cc1c2sc(n1)NC(=O)N2
|
|
|
434
|
c1coc2c1[nH]c(c2)C(=O)[O-]
|
|
|
435
|
CC(=C)[C@@](C)(C#C)OCCC#N
|
|
|
436
|
c1cocc1c2nc([nH]n2)N
|
|
|
437
|
COCCC/N=C/[C@@H](C(=O)C1=O)NCCO
|
|
|
438
|
Cc1c2c(nnn2[O-])n(n1)C
|
|
|
439
|
CC/C(=C/1CC(N=C1C)(C)C)/C
|
|
|
440
|
COC1=CCC2=C(C1)CCO2
|
|
|
441
|
CCOC(=O)[C@@H]1CCCN=C1
|
|
|
442
|
C/C=C/C1OCC(CO1)(C)C
|
|
|
443
|
CSc1nc(c(s1)C#N)N
|
|
|
444
|
CC(=O)c1cc2cc[nH]c2nc1
|
|
|
445
|
c1ccc(cc1)CC2=C(C=NC(=O)C2)C(=O)N
|
|
|
446
|
c1cc(nc2c1NC(=O)C2)F
|
|
|
447
|
c1[nH]c(=O)c2c(n1)NC(=O)C2
|
|
|
448
|
c1cnsc1C(=O)N2CC(C2)F
|
|
|
449
|
CC(=O)OC1C2C=CC1C=C2
|
|
|
450
|
CCOC/C1=C/2CCOC2=O
|
|
|
451
|
c1csc2c1cc([nH]2)C(=O)[O-]
|
|
|
452
|
C1NC([NH]N1)NC2=NCCO2
|
|
|
453
|
CC1CCC(CC1)N=S=O
|
|
|
454
|
[H]/N=c/n([nH+]c(s1)C)CC(=O)[O-]
|
|
|
455
|
C[C@@H]1COC(=N1)c2cccs2
|
|
|
456
|
c1c(cc2c3c1occ3CC(=O)O2)O
|
|
|
457
|
C1CC2N(C1)[C@@H](OC2=O)C3CCCO3
|
|
|
458
|
COC(=O)C1=C(CC1)C(=O)OC
|
|
|
459
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
460
|
C1CS(=O)(=O)N1CCC#N
|
|
|
461
|
Cc1ccc(cc1)c2ncns2
|
|
|
462
|
c1cc(c2c(c1)oc(=O)s2)O
|
|
|
463
|
CO[C@@H]1CCS(=O)(=O)NC1
|
|
|
464
|
c1cc(sc1)[C@@H]2CC(=O)Nc3c2cn[nH]3
|
|
|
465
|
Cc1[nH]c(cn1)C(F)(F)F
|
|
|
466
|
c1cc2cccc3c2c(c1)C(=O)O3
|
|
|
467
|
COc1cc(ccc1O)C=C
|
|
|
468
|
CC(=O)c1ccc(c(c1)F)Sc2nncs2
|
|
|
469
|
c1cc(c2c(c1)non2)CO
|
|
|
470
|
Cc1c(n2c(c1C#N)NCC2)C
|
|
|
471
|
COC(=O)[C@@H]1CCC(=O)c2n1ccc2
|
|
|
472
|
C[C@H]1[C@H]([C@H](C=CO1)OC(=O)C)F
|
|
|
473
|
c1c2c(sc1Cl)C(=NS2(=O)=O)[O-]
|
|
|
474
|
c1cn2cc(nc2cn1)C(=O)[O-]
|
|
|
475
|
c1cc(oc(=O)c1)c2cccnc2
|
|
|
476
|
CCSc1nncn1Cc2ccco2
|
|
|
477
|
c1cc(oc1)c2c(n[n-]n2)C#N
|
|
|
478
|
Cc1cc(no1)C(F)(F)F
|
|
|
479
|
c1ccc2c(c1)CS(=O)(=O)NC2=O
|
|
|
480
|
C1CC1N2C[C@@H](CC2=O)CO
|
|
|
481
|
c1ccn(c1)c2c(ccs2)C#N
|
|
|
482
|
C1CCC(CC1)(O)O[S@@](=O)O
|
|
|
483
|
c1nc-2c3nc(on3cnc2n1)[O-]
|
|
|
484
|
Cc1c2c(c(cs2)Br)sn1
|
|
|
485
|
C/C(=C/C(=O)[O-])/C(F)(F)F
|
|
|
486
|
c1c(cc(c2c1CC=C2)F)F
|
|
|
487
|
c1c(c(on1)N2CCOCC2)C#N
|
|
|
488
|
Cc1cn2c(nnc2s1)c3cccnc3
|
|
|
489
|
Cc1nc([nH]n1)Br
|
|
|
490
|
c1ccc(cc1)C2=NC(=O)CC(=O)N2
|
|
|
491
|
c1cc2c(cc1C#N)CCCC=C2
|
|
|
492
|
Cn1c(=O)c2ccccc2nn1
|
|
|
493
|
Cn1cnc(c1C#N)n2oo2
|
|
|
494
|
CCCCn1c(ccc1C)C
|
|
|
495
|
C[C@@]12CCc3ccccc3[C@@]1(OC(=O)O2)C
|
|
|
496
|
CC1NC(ON1)C2CCCS2
|
|
|
497
|
CCNC(=O)n1c(nnn1)N
|
|
|
498
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
|
499
|
c1nc(c2n1CC(=O)NC2)C(=O)N
|
|
|
500
|
CC(=C1OC(=O)CC(=O)O1)C
|
|
|
501
|
CCN1CCc2c(c([nH]c(=O)c2C#N)[O-])C1
|
|
|
502
|
C1[C@@]2([C@]1(C(=O)N=C2N)C#N)C#N
|
|
|
503
|
CC(=O)c1ccc(o1)C(=O)C
|
|
|
504
|
c1ccc(cc1)Oc2cnns2
|
|
|
505
|
C1C2N(C(=O)[NH]C1=O)CCC3=C2CCCC3
|
|
|
506
|
CCC(=O)Oc1csc(n1)C
|
|
|
507
|
c1ccn(c1)c2nccs2
|
|
|
508
|
C1C/C(=C/2CCOC2=O)/OC1
|
|
|
509
|
c1cc(ccc1C2=CCO2)F
|
|
|
510
|
CC(=O)OCC1C(C(=O)C1=O)C2CCCCC2
|
|
|
511
|
CC(=O)Oc1c(c(c([nH]1)C(=O)OC)O)O
|
|
|
512
|
c1csc2c1S(=O)(=O)NC2=O
|
|
|
513
|
CCO[C@@H](C=C)n1cncn1
|
|
|
514
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
515
|
CS(=O)(=O)Nc1cccc2c1cn[nH]2
|
|
|
516
|
C#CCn1cnc2c1cccc2
|
|
|
517
|
c1c(c2c(nncn2n1)[O-])Cl
|
|
|
518
|
C[C@@H]1CN2C(=O)CCNC2S1
|
|
|
519
|
c1cc2c(c(c1)Cl)C(=O)C2
|
|
|
520
|
C=CCSc1ccsc1
|
|
|
521
|
CCC1C(=C(C(=C1C)C)C)C
|
|
|
522
|
CNC(=O)OCC(F)(F)F
|
|
|
523
|
CCOc1nc(sn1)OCC
|
|
|
524
|
CC1(O[C@@H]2CCC(=O)[C@@H]2O1)C
|
|
|
525
|
C[C@@]1(C(=N1)N(C)C)C(=O)OC
|
|
|
526
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
527
|
c1ccc(cc1)[C@@H]2COC(=O)N2
|
|
|
528
|
c1cc2c(c3c1non3)nns2
|
|
|
529
|
COc1ccc(cc1C#C)F
|
|
|
530
|
c1cscc1C2CCCC2
|
|
|
531
|
|
|
|
532
|
C1C=Nc2c1c(=O)[nH]c(=O)[nH]2
|
|
|
533
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
|
534
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
|
535
|
CC(=O)N(C)c1cccnc1
|
|
|
536
|
c1c(cnnc1[O-])C(F)(F)F
|
|
|
537
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
538
|
Cc1nc(co1)/C=C(C)/CO
|
|
|
539
|
c1cc(sc1)c2nnco2
|
|
|
540
|
c1cc(sc1)C(=O)n2cnnc2N
|
|
|
541
|
COC(=O)NCNC(=O)OC
|
|
|
542
|
CCOCCOCOCC=C
|
|
|
543
|
|
|
|
544
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
|
545
|
CCCCC1C(OC(N1)C)CC=C
|
|
|
546
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
|
547
|
CCn1cc(cn1)c2cc[nH]n2
|
|
|
548
|
CC1(Cc2c(sc(=O)nc2N)C1)C
|
|
|
549
|
C/N=C/N(C2C(S1)NC(C(N2)C#N)C#N)C
|
|
|
550
|
CCN(CC)CC#CC(=C)C
|
|
|
551
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
552
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
|
553
|
c1ccc(cc1)c2cnccn2
|
|
|
554
|
c1(=O)n(c(=O)n(c(=O)n1O)O)O
|
|
|
555
|
C1C[NH]C2C1C(=O)CCNC2=O
|
|
|
556
|
Cn1c2nnc(n2nn1)c3ccccc3
|
|
|
557
|
c1cc2nccn2c(c1)Cl
|
|
|
558
|
CC(=O)OCc1ccccc1
|
|
|
559
|
c1ccn(c1)C(=O)[C@@H]2CC(=O)OC2
|
|
|
560
|
CC1=NC(=O)[C@H](C=C1C(=O)C)C#N
|
|
|
561
|
CCNSc1ccccc1
|
|
|
562
|
C[C@@H]1C=C(C=C(NC1=O)C)C
|
|
|
563
|
Cc1nc(cs1)c2c[nH]c(=O)[nH]c2=O
|
|
|
564
|
c1cc(sc1)c2[nH]c(nn2)N
|
|
|
565
|
Cc1cccc(c1)NC2=NCCO2
|
|
|
566
|
C1COCCC1(CC#N)C#N
|
|
|
567
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
|
568
|
c1ccc2c(c1)OCC(=O)O2
|
|
|
569
|
c1c(cc(nc1C(=O)N)C(=O)N)[O-]
|
|
|
570
|
COc1ccc(s1)SC
|
|
|
571
|
C1CCC2(C1)NC(CO2)(CO)CO
|
|
|
572
|
C#CCCO[C@@H]1CCCCO1
|