-
Notifications
You must be signed in to change notification settings - Fork 1
/
yoshida.8.train.smi
239 lines (239 loc) · 11.1 KB
/
yoshida.8.train.smi
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
45 C([C@H]([C@@](Cc1ccccc1)(c1ccccc1)OC(CC)=O)C)N(C)C
12 c1([C@@]2(CCCCC2=O)NC)ccc(cc1)Cl
189 C1[C@H]([C@@H]2[C@H]([C@@H](CO2)O[N+]([O-])=O)O1)O
23 C=1([C@H](c2cccc(c2)[N+]([O-])=O)C(=C(NC1C)C)C(=O)OC)C(=O)OCC
34 c12[C@H]3[C@H](C(Oc2cc(CCCCC)cc1O)(C)C)CCC(=C3)C
113 c1(CCC)ccccc1OC[C@@H](CNC(C)C)O
136 c12c3ccccc3n(C)c1CC[C@@H](Cn1ccnc1C)C2=O
203 N1(c2ccccc2)C(C(C(N1c1ccccc1)=O)CCCC)=O
123 c12cc(c(cc1NCNS2(=O)=O)Cl)S(N)(=O)=O
152 C1(CC)(CCC(C)C)C(NC(NC1=O)=O)=O
90 c1([C@@](CCC[N@](C)CCc2ccc(c(c2)OC)OC)(C(C)C)C#N)ccc(c(c1)OC)OC
75 c12c(ncn2C)n(C)c(n(CCCCC(C)=O)c1=O)=O
224 c1(Cc2cnc(nc2N)N)cc(c(c(c1)OC)OC)OC
215 N1(c2ccccc2)C(C(C(N1c1ccccc1)=O)CC[S@](c1ccccc1)=O)=O
264 c12cc(c(cc1nc(N1CCN(CC1)C([C@H]1CCCO1)=O)nc2N)OC)OC
220 c1(c(cccc1C)C)NC([C@@H](C)N)=O
223 n12ccccc1nn(CCCN1CCN(CC1)c1cccc(c1)Cl)c2=O
46 c1(c(cc(cc1)F)F)c1ccc(c(c1)C(O)=O)O
130 C1(c2ccccc2[N+]([O-])=O)C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC
8 c12[C@@H]3[C@H]([C@H]4CC[C@H]([C@@]4(CC3)C)O)CCc2cc(cc1)O
57 C1(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)=C(C)CCCC1(C)C
142 c1(cc(cc2c1nccc2)OC)N[C@H](C)CCCN
14 O([C@@H]1[C@@H]2[C@@H]([C@H](C=CC2=C[C@H](C1)C)C)CC[C@H]1C[C@@H](CC(=O)O1)O)C([C@H](C)CC)=O
160 c1(ccc(cc1)CCCC(O)=O)N(CCCl)CCCl
108 N1(CCCN(C)C)c2c(CCc3c1cc(cc3)Cl)cccc2
80 N1(C[C@H](C)N(C)C)c2c(Sc3c1cccc3)cccc2
94 c1(c2ccccc2oc1CCCC)C(c1cc(c(c(c1)I)OCCN(CC)CC)I)=O
92 c1(ccccc1OC(C)=O)C(O)=O
25 C(C)(C)(C)c1cc(cc(c1O)C(C)(C)C)SC(C)(C)Sc1cc(C(C)(C)C)c(c(c1)C(C)(C)C)O
105 c1([C@H](CCN(C)C)c2ccccn2)ccc(cc1)Cl
138 c1(C2CCCC2)ccccc1OC[C@@H](CNC(C)(C)C)O
42 c1([C@@](C)(c2ccccc2)OCC[C@@H]2CCC[N@@]2C)ccc(cc1)Cl
119 C1(=C/CCN2CCN(CC2)CCO)\c2c(Sc3c1cc(cc3)C(F)(F)F)cccc2
164 C1(C[C@H]1C=1NCCN1)(c1ccccc1)c1ccccc1
78 N1(c2c(C(Nc3c1nccc3)=O)cccc2)C(CN1CCN(C)CC1)=O
205 C1(c2ccccc2)(c2ccccc2)C(NC(N1)=O)=O
255 N(C(N)=[NH2])C(Cc1c(cccc1Cl)Cl)=O
97 N12CC[N@@](C[C@@H]1c1ccccc1Cc1cccnc21)C
30 c12cc(ccc2[nH]cc1CCN(C)C)CS(NC)(=O)=O
71 c1([C@@H]2CCC[N@]2C)cccnc1
151 c12c(ncnc1[nH]nc2)O
197 c12ccc(cc2ccc(c1)[C@H](C)C(O)=O)OC
77 n1(C2CCN(CC2)CCCC(c2ccc(cc2)F)c2ccc(cc2)F)c2ccccc2[nH]c1=O
100 c1(ccc(cc1OC)CCNC[C@@H](COc1cccc(c1)C)O)OC
170 C=1(c2ccccc2)c2c(N(C(CN1)=O)C)ccc(c2)Cl
221 c1(ccc(cc1)C)S(NC(NCCCC)=O)(=O)=O
176 c1(cc(ccc1OCC(F)(F)F)OCC(F)(F)F)C(NC[C@@H]1CCCCN1)=O
76 c1(cccc(c1)O)[C@@H](CNC)O
21 c1([C@H]2C(=C(C)NC(C)=C2C(=O)OC(C)C)C(=O)OCCOC)cccc(c1)[N+]([O-])=O
120 c1(ccc(cc1)C(F)(F)F)\C(CCCCOC)=N\OCCN
165 c12cc(ccc1N(C)C(CC(N2c1ccccc1)=O)=O)Cl
44 c12ccccc1CCc1ccccc1N2CCCNC
148 c12c(c(N)nc(N)n2)nc(c2ccccc2)c(N)n1
114 c12cc(c(cc1c(N)nc(N1CCN(CC1)C(COc1ccccc1OCS)=O)n2)OC)OC
226 c1([C@H](CC(C)=O)c2ccccc2)c(c2ccccc2oc1=O)O
242 c12ccccc1cccc2C[N@](C)C\C=C\C#CC(C)(C)C
200 c1(c2ccccc2)c(c2ccccc2)oc(CCC(O)=O)n1
169 C=1(c2ccccc2)c2c(NC(CN1)=O)ccc(c2)Cl
225 C(CCC)(CCC)C(O)=O
112 c1(ccccc1CC([O-])=O)Nc1c(cccc1Cl)Cl
62 c1(ccc(cc1)CCOC)OC[C@@H](CNC(C)C)O
252 c12[C@](CCCN(C)C)(c3ccc(cc3)F)OCc2cc(cc1)C#N
195 n1(CCO)c(cnc1C)[N+]([O-])=O
40 N1(CCCN(C)C)c2c(Sc3c1cc(cc3)Cl)cccc2
156 c1(c(cc(cc1S(N)(=O)=O)C(O)=O)NCCCC)Oc1ccccc1
240 c12cc(ccc2[nH]cc1CCN(C)C)Cn1cncn1
150 N1(C[C@H](C[C@H]1C(O)=O)Sc1ccccc1)C([C@H](C)CS)=O
39 C1(=C\CCN(C)C)\c2c(CCc3c1cccc3)cccc2
238 c12c3ccccc3[nH]c1cccc2OC[C@@H](CNCCOc1ccccc1OC)O
81 c1(ccccc1C(CCc1ccccc1)=O)OC[C@@H](CNCCC)O
247 c12[C@H]([C@@](CCc2cc(cc1)F)(CC[N@](C)CCCc1[nH]c2ccccc2n1)OC(COC)=O)C(C)C
109 C1(=C/CCN2CCN(CC2)CCO)\c2c(Sc3c1cc(cc3)Cl)cccc2
166 c12cc(ccc1NC(CN=C2c1ccccc1Cl)=O)[N+]([O-])=O
24 C1(c2ccc(cc2)O)(c2ccc(cc2)O)c2ccccc2C(=O)O1
214 c1(ccc(cc1)N)S(Nc1cc(C)on1)(=O)=O
17 c12[nH]cnc2ncnc1S
6 n1(C2CCN(CC2)CCCn2c3ccccc3[nH]c2=O)c2ccc(cc2[nH]c1=O)Cl
249 C(Oc1ccc2c(c1)sc(n2)N)(F)(F)F
179 c1(c(cnc([nH]1)=O)F)N
124 c12CCCC(c1cccc2OC[C@@H](CNC(C)(C)C)O)=O
153 c1(cc(c([nH]c1)=O)N)c1ccncc1
237 C1(C[C@@H]2N([C@H](C1)CC2)C)OC([C@@H](c1ccccc1)CO)=O
102 c12c(cccc1cc([C@@H](CNC(C)(C)C)O)o2)CC
65 c12cc(ccc1Sc1ccccc1N2C(CCN1CCOCC1)=O)NC(=O)OCC
248 C=1(c2c(Nc3c(N1)cccc3)sc(c2)C)N1CCN(C)CC1
35 C1(CCCCC1)([C@@H](c1ccc(cc1)OC)CN(C)C)O
99 C1[C@@]2([C@@H]([C@@H]3[C@@]([C@@]4(C(CC3)=CC(C=C4)=O)C)([C@@H]1O)F)C[C@H]([C@]2(C(CO)=O)O)C)C
244 c1(cccc(c1N)CC([O-])=O)C(c1ccc(cc1)Br)=O
175 C1([C@](C)(CC)CC(N1)=O)=O
173 c1(ccccc1OC[C@@H](CNC(C)(C)CC)O)C(CCc1ccccc1)=O
191 C=1(c2c(NC([C@H](N1)O)=O)ccc(c2)Cl)c1ccccc1Cl
37 c1(ccc(cc1C(C)=O)NC(CCC)=O)OC[C@@H](CNC(C)C)O
194 C1[C@]([C@@]2([C@@H]([C@H]3C[C@H](C=4[C@@]([C@@H]3[C@H](C2)O)(C)C=CC(C4)=O)C)C1)C)(C(CO)=O)O
230 n12c3c(C(N(Cc1c(C(=O)OCC)nc2)C)=O)cc(cc3)F
118 c1([C@H](CCNC)Oc2ccc(cc2)C(F)(F)F)ccccc1
52 c1(nc(CSCCC(=[NH2])NS(N)(=O)=O)cs1)\[NH]=C(/N)N
53 C1([C@@H](C=NC(N1)=O)F)=O
187 c1(ccncc1)C(NN)=O
258 C1[C@@H]2[C@@H]([C@@H]3[C@](CC)(C1)[C@@](CC3)(C#C)O)CCC=1[C@H]2CCC(C1)=O
139 N1(CCCN2CCN(CC2)CCO)c2c(Sc3c1cc(cc3)Cl)cccc2
210 C1(CCCNC)c2c(C=Cc3c1cccc3)cccc2
27 C1[C@@]2([C@@H]([C@@H]3[C@@H](C1)[C@]1(C(CC3)=CC(CC1)=O)C)CC[C@H]2C(C)=O)C
251 n1([C@H]2C[C@@H]([C@@H](CO)O2)N=[N+]=[N-])cc(c([nH]c1=O)=O)C
79 c1(ccc(cc1)O)OC[C@@H](CNC(C)C)O
38 c12ccc(cc1C(c1ccccc1)=NCc1n2c(C)nn1)Cl
110 C=1(c2c(Nc3c(N1)cc(cc3)Cl)cccc2)N1CCN(C)CC1
117 C1[C@@H]2[C@]([C@@H]3[C@@H]([C@H]4CC[C@H]([C@@]4(CC3)C)C(NC(C)(C)C)=O)C1)(C)C=CC(N2)=O
208 C1(CC)(c2ccccc2)C(NCNC1=O)=O
228 C1=2[C@@]([C@@H]3[C@H]([C@@H]4[C@@](C)(C[C@H]3O)[C@@]3([C@H](C4)O[C@H](O3)CCC)C(CO)=O)CC1)(C)C=CC(C2)=O
145 c1(c(c(cc(c1OC)Cl)Cl)O)C(NC[C@@H]1CCC[N@@]1CC)=O
146 c1(ccc(o1)CSCCN\C(=C\[N+]([O-])=O)NC)CN(C)C
54 N1(CCCN(C)C)c2c(CCc3c1cccc3)cccc2
207 C1=2[C@@]([C@@H]3[C@H]([C@H]4CC[C@]([C@@]4(CC3=O)C)(C(CO)=O)O)CC1)(C)C=CC(C2)=O
206 C1=2[C@@]([C@@H]3[C@H]([C@H]4CC[C@]([C@@]4(C[C@H]3O)C)(C(CO)=O)O)CC1)(C)C=CC(C2)=O
231 C([C@@H]1[C@@](CCCC1)(c1cccc(c1)OC)O)N(C)C
241 c1(c2ccc(cc2)F)c2ccccc2n(C(C)C)c1\C=C\[C@@H](C[C@@H](CC(O)=O)O)O
155 c1(ccc(cc1)COCCOC(C)C)OC[C@@H](CNC(C)C)O
87 c1(cc(ccc1OC)S(N)(=O)=O)C(NC[C@@H]1CCC[N@@]1CC)=O
202 C1(CC)(c2ccccc2)C(NC(NC1=O)=O)=O
174 C(C)O
5 c1(ccc(cc1)CC[N@](C)CCOc1ccc(cc1)NS(C)(=O)=O)NS(C)(=O)=O
184 C=1([C@]2(C)C(NC(N(C2=O)C)=O)=O)CCCCC1
158 N1(C(N)=O)c2c(C=Cc3c1cccc3)cccc2
260 N1(C2CC2)c2c(C(Nc3c1nccc3C)=O)cccn2
29 O([C@@H]1[C@@H]2[C@@H]([C@H](C=CC2=C[C@H](C1)C)C)CC[C@H]1C[C@@H](CC(=O)O1)O)C(C(C)(C)CC)=O
56 c1c(ccc(c1O)O)[C@@H](CNC(C)C)O
243 c1(c(N)nc(c(n1)Cl)N)C(NC(N)=[NH2])=O
60 N(C1CCN(CC1)C(C)C)(c1cccc(c1)Cl)C(Cc1ccccc1)=O
222 c1(ccc(n1C)CC(O)=O)C(c1ccc(C)cc1)=O
48 c1\2ccccc1Cc1ccccc1OC2=C\CCN(C)C
107 c1(c(C)[nH]cn1)CSCC\[NH]=C(/NC)NC#N
10 c12ccccc1cnnc2NN
133 C1[C@]([C@@]2([C@@H](C1)[C@H]1[C@H](CC2)[C@H]2C(CC1)=CC(CC2)=O)C)(C#C)O
15 c12cc(ccc1[nH]c(NC(=O)OC)n2)C(c1ccccc1)=O
18 c12ccc(cc2ccc(CCC(C)=O)c1)OC
254 CCCCCN
235 c1(c2c(sc1c1ccc(cc1)O)cc(cc2)O)C(c1ccc(cc1)OCCN1CCCCC1)=O
185 c1(ccc(cc1)CC(C)C)[C@H](C)C(O)=O
192 c1(cc(cc(c1N)Cl)[C@@H](CNC(C)(C)C)O)C(F)(F)F
103 N1(CCC[C@H]1C(O)=O)C([C@H](C)CS)=O
137 C([C@@H]1[C@@H](CCNC1)c1ccc(cc1)F)Oc1ccc2c(c1)OCO2
51 c1(cccc(c1)O)[C@@H](CNCC)O
95 C=1([C@@H](C(=C(NC1COCCN)C)C(=O)OC)c1ccccc1Cl)C(=O)OCC
121 c1(cc(c(cc1NCc1ccco1)Cl)S(N)(=O)=O)C(O)=O
33 C1=2[C@@]([C@@H]3[C@@H](CC1)[C@H]1[C@@](CC3)(C)[C@@H](CC1)O)(C)CCC(C2)=O
171 c12ccc(cc1S(NC(C)=N2)(=O)=O)Cl
257 c12ccccc1nc([nH]2)[S@](Cc1c(C)c(ccn1)OCC(F)(F)F)=O
41 c1(cc(c(cc1OC)N)Cl)C(N[C@@H]1CC[N@](C[C@H]1OC)CCCOc1ccc(cc1)F)=O
182 c1(cc(ccc1OC)Cl)C(NCCc1ccc(cc1)S(NC(NC1CCCCC1)=O)(=O)=O)=O
3 c12oc(ccc1cccc2)=O
201 c12cc(ccc1NC([C@@H](N=C2c1ccccc1)O)=O)Cl
256 c1(c2cccc(c2Cl)Cl)c(N)nc(N)nn1
219 c12c([nH]cn2)n(C)c(n(C)c1=O)=O
188 C1[C@H]([C@@H]2[C@H]([C@@H](CO2)O[N+]([O-])=O)O1)O[N+]([O-])=O
172 N12[C@@H](C(S[C@@H]2[C@@H](C1=O)NC(c1c(c2c(cccc2Cl)Cl)noc1C)=O)(C)C)C(O)=O
265 c1(ccc(c(c1)O)O)[C@@H](CNC)O
263 C(C1CC1)(C1CC1)NC1=NCCO1
154 c1(ccc(cc1)CCOCC1CC1)OC[C@@H](CNC(C)C)O
69 c12[C@@H]3[C@H]4C(CC[C@@]3([C@H](Cc1ccc(c2O4)O)[N@](CC1CC1)CCS)O)=O
63 N12CC[N@@](C[C@@H]1c1ccccc1Cc1ccccc21)C
28 c1(C[C@H](C)[N@](C)CC#C)ccccc1
9 c1([C@@H]2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OC)cccc(c1Cl)Cl
84 c1(ccc(c(c1)CO)O)[C@@H](CNC(C)(C)C)O
233 c1(ccc(c(c1)O)O)[C@@H]([C@H]1CCCCN1)O
128 c1(cc(c(cc1OC)N)Cl)C(NCCN(CC)CC)=O
131 S1(CCN([C@H](C1)C)\N=C\c1ccc(o1)[N+]([O-])=O)(=O)=O
36 N1(CCOCC1)C(NCCNC[C@@H](COc1ccc(cc1)O)O)=O
162 c12ccc(cc2nccc1N[C@H](C)CCCN(CC)CC)Cl
11 c1([C@@H]2C(=C(NC(=C2C(=O)OC(C)C)C)C)C(=O)OC)cccc2c1non2
16 c1([C@]2(CC)CCCC[N@](C2)C)cccc(c1)O
180 c12cc(ccc1N(C)C(CN=C2c1ccccc1F)=O)[N+]([O-])=O
161 c12cc(ccc1N=C(C[N+](=C2c1ccccc1)[O-])NC)Cl
127 C1(CCN(CC1)C)(c1ccccc1)C(=O)OCC
168 O=[P@]1(NCCCO1)N(CCCl)CCCl
83 c1(ccc(cc1)O)[C@@H]([C@H](C)NCCc1ccc(cc1)O)O
49 c1(CC[C@@H]2CCCC[N@]2C)ccccc1NC(c1ccc(cc1)OC)=O
70 c1([C@@H]2C(=C(NC(=C2C(=O)OCC[N@](C)Cc2ccccc2)C)C)C(=O)OC)cccc(c1)[N+]([O-])=O
129 c1(ccc(cc1)Cl)C(NCCN1CCOCC1)=O
193 C(C[C@H](C)N(C)C)(c1ccccc1)(c1ccccc1)C(CC)=O
50 C1[C@]([C@@]2([C@@H](C1)[C@H]1[C@H](CC2)c2c(CC1)cc(cc2)O)C)(C#C)O
61 C(CN(C)C)(Oc1ccccc1)Oc1ccccc1
104 c1(ccc(cc1)[N+]([O-])=O)[C@@H]([C@H](CO)NC(C(Cl)Cl)=O)O
227 n1([C@@H]2CC[C@H](O2)CO)ccc(nc1=O)N
43 c12cc(c(cc1N=CNS2(=O)=O)Cl)S(N)(=O)=O
259 c1(cc(c([nH]c1C)=O)C#N)c1ccncc1
144 c1([C@](CCN2CCCC2)(C2CCCCC2)O)ccccc1
234 c12c3cccc2[nH]cc1C[C@H]1[C@H]3C[C@@H](C[N@@]1C)NC(N(CC)CC)=O
106 N1[C@](c2ccc(c(c2)S(N)(=O)=O)Cl)(c2c(C1=O)cccc2)O
132 c12cc(ccc1NC(CN=C2c1ccccc1)=O)[N+]([O-])=O
177 c1(ccc(cc1F)[C@H](C)C(O)=O)c1ccccc1
125 N1(C[C@H](C)CN(C)C)c2c(Sc3c1cc(cc3)OC)cccc2
7 c1(ccccc1C#N)OC[C@@H](CNCCNC(Cc1ccc(cc1)O)=O)O
229 c1(cc(cc(c1)O)O)[C@@H](CN[C@H](C)Cc1ccc(cc1)O)O
98 N(Cc1ccccc1)(C[C@H](COCC(C)C)N1CCCC1)c1ccccc1
209 c1(ccc(cc1)C(O)=O)S(N(CCC)CCC)(=O)=O
72 N12[C@@H](C(S[C@@H]2[C@@H](C1=O)NC(c1c(c2ccccc2)noc1C)=O)(C)C)C(O)=O
111 c12[C@@]34CC[N@]([C@H]5Cc1ccc(c2O[C@@H]4[C@H](C=C[C@@H]35)O)OC)C
159 c12CCC(Nc1cccc2OC[C@@H](CNC(C)(C)C)O)=O
134 C1(=C\CCNC)\c2c(CCc3c1cccc3)cccc2
246 c12c(ncc(CN(C)c3ccc(cc3)C(N[C@@H](CCC(O)=O)C(O)=O)=O)n2)nc(N)nc1N
31 c12ccccc1c(c1CCCCc1n2)N
143 c1(ccc(cc1)N)C(NCCN(CC)CC)=O
250 c1(C2CCN(CC2)CCc2c(C)nc3CCCCn3c2=O)c2ccc(cc2on1)F
216 c1(ccc(cc1)N)S(Nc1c(C)c(C)no1)(=O)=O
22 c1([C@@H]2C(=C(NC(=C2C(=O)OCC(C)C)C)C)C(=O)OC)ccccc1[N+]([O-])=O
96 C1(C2CCC(CC2)c2ccc(cc2)Cl)=C(C(c2ccccc2C1=O)=O)O
212 c1(C(O)=O)c(cccc1)O
204 C(Cc1ccccc1)(C(N)=O)C(N)=O
232 c1(cc(cc(c1)O)O)[C@@H](CNC(C)C)O
122 c1(ccc(cc1)Cl)C1(CCN(CCCC(c2ccc(cc2)F)=O)CC1)O
85 O1[C@@H]2[C@@H]3N([C@H]([C@H]12)CC(C3)OC([C@@H](c1ccccc1)CO)=O)C
218 C1[C@@H]2[C@H](C(=C(N(S2(=O)=O)C)C(Nc2ccccn2)=O)O)SC1
13 N1(CCC[N@](C)CC(c2ccc(cc2)Cl)=O)c2c(CCc3c1cccc3)cccc2
211 c12cc(ccc2nccc1[C@@H]([C@@H]1C[C@@H]2[C@H](C[N@]1CC2)C=C)O)OC
239 c12c(c(ccc1nsn2)Cl)NC=1NCCN1
58 c1(ccc(c(c1)C(N)=O)O)[C@@H](CN[C@H](C)CCc1ccccc1)O
66 c12[C@@]34CC[N@]([C@H]5Cc1ccc(c2O[C@@H]4[C@H](C=C[C@@H]35)O)O)C
1 c1(CCC)ccccc1OC[C@@H](CNC(C)C)O.Cl
199 [N+](\C=C(\NC)NCCSCc1csc(n1)CN(C)C)([O-])=O
93 C12(CC3CC(CC(C1)C3)C2)N
20 c12[C@]34CC[N@]([C@H]5Cc1ccc(c2O[C@@H]3C(CC[C@@]45O)=O)O)CC=C
86 C1[C@@H]2[C@]([C@]3(C1)CCC(O3)=O)(C)CC[C@@H]1[C@@H]2[C@@H](CC=2[C@@]1(C)CCC(C2)=O)SC(C)=O
181 c1(cc(ccc1C)C)OCCCC(C)(C)C(O)=O
73 c1(ccccc1OCC=C)OC[C@@H](CNC(C)C)O
149 c1(ccccc1OC)N1CCN(CCCNc2cc(n(C)c(n2C)=O)=O)CC1
116 N([C@@H](CC)CO)CCN[C@@H](CC)CO
147 c1(c(nsn1)OC[C@@H](CNC(C)(C)C)O)N1CCOCC1
190 c1(cccc(c1)[C@H](C)C(O)=O)C(c1ccccc1)=O
167 c1(c(cccc1Cl)Cl)NC=1NCCN1
4 c1([C@](CCN(C(C)C)C(C)C)(c2ccccn2)C(N)=O)ccccc1
59 c1(c(cccc1C)C)NC(CN(CC)CC)=O
261 c1([C@](CCCN2[C@H](C)CCC[C@H]2C)(c2ccccn2)O)ccccc1
196 c1(c(cccc1C)C)OC[C@@H](C)N
74 c12[C@@]3(C)CC[N@]([C@H](Cc2ccc(c1)O)[C@H]3C)C\C=C(/C)C
68 N12[C@@H](C(S[C@@H]2[C@@H](C1=O)NC(c1c2ccccc2ccc1OCC)=O)(C)C)C(O)=O
55 C(c1ccccc1)(NC1CCN(CC1)CCc1c2c([nH]c1)cccc2)=O
157 c12c(ncn2C)n(C)c(n(C)c1=O)=O
245 c1(C[C@H](C)NCC)cccc(c1)C(F)(F)F
2 c1(CCCl)c(C)ncs1