SMILES for Non-lysosomal glucosylceramidase

179 SMILES Strings for Non-lysosomal glucosylceramidase

Compound Name	SMILES String
BDBM18351	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
BDBM18355	CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18356	CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18357	CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18358	CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50156357	CCCCCCCCCN1CC(O)C(O)C(O)C1CO
BDBM50163440	OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O \|r\|
BDBM50163445	OC[C@@H]1NC[C@H](O)[C@@H](O)[C@H]1O
BDBM50182801	OC[C@H]1CNC[C@@H](O)[C@@H]1O \|r\|
BDBM50240725	OC[C@H]1NCC[C@@H](O)[C@@H]1O \|r\|
BDBM50242627	CCCCCCCCCOC(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50242628	CCCCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50292389	OC[C@H]1NCC[C@H](O)[C@@H]1O \|r\|
BDBM50299750	N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 \|r\|
BDBM50299751	CCCCN[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 \|r\|
BDBM50299752	OC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O \|r,THB:22:14:17:21.20.19,22:20:14.15.23:17,19:18:15:21.20.22,19:20:15:23.17.18,13:14:17:21.20.19\|
BDBM50299753	CCCC(=O)N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 \|r\|
BDBM50299754	OC[C@H]1O[C@@H]2[C@@H](NC(=O)CCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O \|r,THB:23:15:18:22.21.20,23:21:15.16.24:18,20:19:16:22.21.23,20:21:16:24.18.19,14:15:18:22.21.20\|
BDBM50299749	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22\|
BDBM50308672	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)c1ccc(cc1)C(=O)c1ccc(OCC#C)cc1 \|r\|
BDBM50308673	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)CCC(=O)c1ccc(OCC#C)cc1 \|r\|
BDBM50312530	CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO \|r\|
BDBM50312531	OC[C@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19\|
BDBM50312525	OC[C@@H]1NC[C@H](O)[C@@H](O)[C@@H]1O \|r\|
BDBM50312526	CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50312527	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19\|
BDBM50312528	CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO \|r\|
BDBM50312529	OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19\|
BDBM50335393	CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335394	CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335395	CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335396	CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335397	CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335398	CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50335399	CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50335381	CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335382	CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335383	CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335384	CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335385	CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335386	CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50335387	CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50335388	CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50335389	CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50335390	CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50335391	CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50335392	CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50350760	OC[C@@H]1NCC[C@@H](O)[C@H]1O \|r\|
BDBM50379039	CCCCN1CC[C@@H](O)[C@@H](O)[C@H]1CO \|r\|
BDBM50379040	CCCCN1CC=C[C@H](O)[C@@H]1CO \|r,c:6\|
BDBM50379041	OC[C@H]1[C@@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22\|
BDBM50379042	OC[C@H]1NCCC[C@@H]1O \|r\|
BDBM50379043	CCCCN1CCC[C@H](O)[C@H]1CO \|r\|
BDBM50379044	OC[C@@H]1[C@@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22\|
BDBM50379045	OC[C@H]1NCCC[C@H]1O \|r\|
BDBM50379046	CCCCN1CCC[C@@H](O)[C@H]1CO \|r\|
BDBM50379047	OC[C@@H]1NCCC[C@H]1O \|r\|
BDBM50379048	CCCCN1CCC[C@@H](O)[C@@H]1CO \|r\|
BDBM50379049	OC[C@H]1[C@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22\|
BDBM50379050	OC[C@@H]1NCCC[C@@H]1O \|r\|
BDBM50379051	OC[C@H]1[C@@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22\|
BDBM50379052	CCCCN1CC[C@@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50379053	OC[C@@H]1[C@@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50379023	OC[C@@H]1[C@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22\|
BDBM50379054	OC[C@H]1NCC[C@@H](O)[C@H]1O \|r\|
BDBM50379055	OC[C@@H]1[C@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50379056	CCCCN1CC[C@@H](O)[C@@H](O)[C@@H]1CO \|r\|
BDBM50379057	OC[C@H]1[C@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50379058	CCCCN1CCC[C@H](O)[C@@H]1CO \|r\|
BDBM50379059	OC[C@H]1NCC=C[C@@H]1O \|r,c:5\|
BDBM50379060	OC[C@H]1NCC[C@H](O)[C@H]1O \|r\|
BDBM50379061	CCCCN1CC=C[C@H](O)[C@H]1CO \|r,c:6\|
BDBM50379062	OC[C@@H]1[C@@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22\|
BDBM50379063	OC[C@H]1NCC=C[C@H]1O \|r,c:5\|
BDBM50379064	CCCCN1CC=C[C@@H](O)[C@H]1CO \|r,c:6\|
BDBM50379065	OC[C@@H]1NCC=C[C@H]1O \|r,c:5\|
BDBM50379066	CCCCN1CC=C[C@@H](O)[C@@H]1CO \|r,c:6\|
BDBM50379067	OC[C@H]1[C@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22\|
BDBM50379068	OC[C@@H]1[C@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22\|
BDBM50379069	OC[C@@H]1NCC=C[C@@H]1O \|r,c:5\|
BDBM50379024	OC[C@@H]1NCC[C@@H](O)[C@@H]1O \|r\|
BDBM50379025	CCCCN1CC[C@@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50379026	OC[C@H]1[C@@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50379027	CCCCN1CC[C@H](O)[C@H](O)[C@H]1CO \|r\|
BDBM50379028	OC[C@@H]1[C@@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50379029	CCCCN1CC[C@H](O)[C@@H](O)[C@H]1CO \|r\|
BDBM50379030	OC[C@@H]1[C@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50379031	OC[C@@H]1NCC[C@H](O)[C@H]1O \|r\|
BDBM50379032	CCCCN1CC[C@H](O)[C@@H](O)[C@@H]1CO \|r\|
BDBM50379033	OC[C@H]1[C@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50379034	OC[C@@H]1NCC[C@H](O)[C@@H]1O \|r\|
BDBM50379035	CCCCN1CC[C@H](O)[C@H](O)[C@@H]1CO \|r\|
BDBM50379036	OC[C@H]1[C@@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50379037	C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50379038	O[C@H]1CN(CCCCCOCC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O \|r,THB:10:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17\|
BDBM50028174	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cn1)-c1ccccc1 \|r\|
BDBM50028181	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 \|r\|
BDBM50028183	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 \|r,TLB:18:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25\|
BDBM50028206	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 \|r\|
BDBM50028208	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1CCCCC1 \|r\|
BDBM50028211	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,TLB:22:23:27:21.26.20,26:25:28:22.21.20,26:21:28:25.27.24,THB:22:21:27:28.23.24\|
BDBM50028216	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cc2ccccc2c2ccccc12 \|r\|
BDBM50028220	Cc1cccc(c1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 \|r\|
BDBM50028221	Cc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 \|r\|
BDBM50028224	COc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 \|r\|
BDBM50028232	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(Cl)cc1 \|r\|
BDBM50028235	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCOc2c1 \|r\|
BDBM50028244	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F \|r\|
BDBM50028252	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028188	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1C2CC3CC(C2)CC1C3 \|r,wU:5.5,2.1,wD:7.7,3.3,TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(6.64,-8.49,;5.33,-9.31,;5.38,-10.85,;4.07,-11.65,;2.71,-10.93,;4.12,-13.19,;2.81,-13.99,;5.47,-13.92,;5.51,-15.46,;6.78,-13.11,;6.74,-11.57,;8.05,-10.76,;9.41,-11.49,;10.72,-10.68,;12.07,-11.41,;13.38,-10.6,;14.74,-11.33,;16.05,-10.52,;17.4,-11.25,;17.41,-12.73,;16.21,-14.01,;17.71,-13.59,;19.12,-14.15,;20.13,-12.88,;18.74,-13.22,;20.14,-11.35,;18.75,-10.77,;17.71,-12,)\|
BDBM50028173	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 \|r\|
BDBM50028175	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028176	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028177	C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028178	C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028179	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 \|r\|
BDBM50028180	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 \|r\|
BDBM50028182	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1CCCCC1 \|r\|
BDBM50028184	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC\C=C/C12CC3CC(CC(C3)C1)C2 \|r,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50028185	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25\|
BDBM50028186	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCC12CC3CC(CC(C3)C1)C2 \|r,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50028187	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)[C@H](C)CCCC(C)C \|r,t:9\|
BDBM50028189	[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#6]-[#8] \|r\|
BDBM50028203	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1 \|r\|
BDBM50028204	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 \|r\|
BDBM50028205	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cc2ccccc2c2ccccc12 \|r\|
BDBM50028207	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028209	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 \|r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25\|
BDBM50028210	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC\C=C/C12CC3CC(CC(C3)C1)C2 \|r,TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23\|
BDBM50028212	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCC12CC3CC(CC(C3)C1)C2 \|r,TLB:24:23:26:19.20.18,24:19:26:25.23.22,20:21:25:19.18.24,THB:20:19:25:21.26.22\|
BDBM50028213	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)[C@H](C)CCCC(C)C \|r,t:9\|
BDBM50028214	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1C2CC3CC(C2)CC1C3 \|r,wU:5.5,wD:7.7,2.1,3.3,TLB:17:18:20:23.22.24,THB:25:23:20:18.26.27,25:26:20:23.22.24,18:26:22:20.24.19,18:19:22:25.26.27,(4.71,-20.78,;3.4,-21.6,;3.45,-23.14,;2.14,-23.95,;.78,-23.23,;2.19,-25.49,;.87,-26.3,;3.53,-26.22,;3.58,-27.76,;4.85,-25.41,;4.81,-23.86,;6.12,-23.06,;7.48,-23.78,;8.79,-22.98,;10.15,-23.71,;11.47,-22.9,;12.82,-23.63,;14.14,-22.82,;15.49,-23.55,;16.84,-23.07,;18.23,-23.64,;18.22,-25.17,;17.21,-26.45,;15.8,-25.89,;15.8,-24.3,;14.3,-26.31,;15.5,-25.04,;16.82,-25.52,)\|
BDBM50028215	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 \|r\|
BDBM50028217	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 \|r\|
BDBM50028218	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028219	Cc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 \|r\|
BDBM50028222	COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 \|r\|
BDBM50028223	COc1cccc(c1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 \|r\|
BDBM50028225	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(cc1)C#N \|r\|
BDBM50028226	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(c1)C#N \|r\|
BDBM50028228	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1C#N \|r\|
BDBM50028229	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(F)cc1 \|r\|
BDBM50028230	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(F)c1 \|r\|
BDBM50028231	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1F \|r\|
BDBM50028233	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F \|r\|
BDBM50028234	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50028236	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCCOc2c1 \|r\|
BDBM50028237	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCCCOc2c1 \|r\|
BDBM50028238	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccncc1 \|r\|
BDBM50028239	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccnc1 \|r\|
BDBM50028240	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cncnc1 \|r\|
BDBM50028241	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccnc(F)c1 \|r\|
BDBM50028242	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(F)nc1 \|r\|
BDBM50028243	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 \|r\|
BDBM50028248	C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028249	C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028250	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 \|r\|
BDBM50028251	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 \|r\|
BDBM50028253	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028254	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 \|r\|
BDBM50028255	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F \|r\|
BDBM50028256	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 \|r\|
BDBM50028257	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 \|r\|
BDBM50028258	OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 \|r\|
BDBM50028259	[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-1-[#6]-[#8] \|r\|
BDBM50028260	OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1 \|r\|
BDBM50235812	CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO \|r\|
BDBM50243651	CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO \|r\|
BDBM50469237	C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO \|r\|
BDBM50469238	CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO \|r\|
BDBM50469239	OC[C@@H]1[C@H](O)[C@H](O)CN[C@@H]1CCc1ccccc1 \|r\|
BDBM50524479	CCCCCCOCCCCCN1CC(O)C(O)C(O)C1CO
BDBM50524484	CCCCN1CC(O)C(O)C(O)C1CO
BDBM50524485	OC[C@H]1[C@H](O)[C@@H](O)[C@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|r,TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24\|
BDBM50524480	OCC1C(O)C(O)C(O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 \|TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24\|
BDBM50524481	CCCCCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO \|r\|
BDBM50524482	CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO \|r\|
BDBM50524483	CCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO \|r\|
BDBM50524486	CCCCCCCCCOCCCCCN1CC(O)C(O)C(O)C1CO