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[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:59][CH2:60][OH:61].[NH2:52][C:53]([CH2:54][OH:55])([CH2:56][OH:57])[CH3:58].[cH:32]1[c:33]([CH:50]=[O:51])[cH:34][cH:35][c:36]2[c:37]3[cH:38][cH:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]4[c:46]3[cH:47][cH:48][c:49]12.[cH:6]1[c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:12][c:13]([CH2:14][NH:15][C:16]([CH3:17])([CH2:18][OH:19])[CH2:20][OH:21])[c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[c:28]2[cH:29][cH:30][cH:31]1>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[cH:32]1[c:33]([CH2:50][NH:52][C:53]([CH2:54][OH:55])([CH2:56][OH:57])[CH3:58])[cH:34][cH:35][c:36]2[c:37]3[cH:38][cH:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]4[c:46]3[cH:47][cH:48][c:49]12참가 물질
7
출처 및 근거
- ORD 기록
- ord-e163413467534f0c8d9cf84df6b8514c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
연결된 노트
불러오는 중…