0 B9R0.56 CC(=O)SCC[N+](C)(C)C Molport-001-766-106 [0,0,0,0,0,0|0,1,0]=1 1 B9R0.56 CC(C)(C)SCCC(=O)O Molport-004-372-329 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.56 C[N+](C)(C)/C=C/CC(=O)[O-] Molport-051-608-366 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.56 C[N+](C)(C)C/C=C/C(=O)[O-] Molport-051-608-291 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] Molport-028-746-067 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.56 C[N+](C)(C)CCSC(=N)N Molport-047-118-746 [0,0,0,0,0,0|2,1,0]=3 6 B8R0.21 CO/N=C/C[N+](C)(C)C Molport-046-852-606 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.28 CC(=O)NCCS(=O)C Molport-002-131-909 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.28 CC(=O)OCCC(C)C Molport-000-872-035 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.28 CC(C)CCOC(=S)[S-] Molport-008-356-154 [1,0,0,0,0,0|2,1,0]=4 10 B8R0.28 CN(C)CCCC(=O)O Molport-001-792-192 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.28 CN(C)CCCC(=O)O Molport-003-928-817 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C Molport-000-159-278 [0,1,0,0,0,0|3,0,0]=4 13 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] Molport-005-932-344 [0,1,0,0,0,0|2,0,0]=3 14 B10R0.60 COC(=O)CCNC(C)(C)C Molport-006-702-855 [0,1,0,0,0,0|3,0,0]=4 15 B10R0.60 COC(=O)CCNC(C)(C)C Molport-042-652-336 [0,1,0,0,0,0|3,0,0]=4 16 B10R0.60 COC(=O)CCN[N+](C)(C)C Molport-003-906-590 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.60 COC(=O)CCN[N+](C)(C)C Molport-004-855-077 [0,1,0,0,0,0|2,0,0]=3 18 B10R0.92 CC(=O)C(C)CNC(C)(C)C Molport-046-852-852 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.55 CC(C)(C)C1COC(=O)N1 Molport-020-097-757 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.55 CC(C)(C)N1CCC(=O)C1 Molport-035-944-928 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.210 C[N+](C)(C)CCCC1CC1 Molport-046-069-525 [0,0,0,1,0,0|2,0,1]=4 22 B8R0.29 CC(=O)CNC(C)(C)C Molport-035-716-331 [0,0,0,0,1,0|2,0,0]=3 23 B8R0.29 CC(=O)COC(C)(C)C Molport-011-883-548 [0,0,0,0,1,0|2,0,0]=3 24 B8R0.29 CC(C)(C)OCC(=O)O Molport-000-159-502 [0,0,0,0,1,0|3,0,0]=4 25 B8R0.29 CC(C)(N)CCC(=O)O Molport-016-634-725 [0,0,0,0,1,0|3,0,0]=4 26 B8R0.29 CP(=O)(C)CCC(=O)O Molport-002-131-571 [0,0,0,0,1,0|2,1,0]=4 27 B8R0.29 CP(=S)(C)CCC(=O)O Molport-003-179-308 [0,0,0,0,1,0|2,1,0]=4 28 B7R0.4 CC(=O)OCCCO Molport-037-900-517 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.4 CCCCCC(=O)C Molport-001-759-309 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CCCCOC(=O)N Molport-001-779-711 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.4 CSCCNC(=O)C Molport-002-131-908 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.8 C[N+](C)(C)CCC#N Molport-046-852-603 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.1 CC(C)CCNC(=O)CCl Molport-004-354-209 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.1 CC(C)CCOC(=O)CCl Molport-003-910-676 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.57 CC(=O)C(C)NC(C)(C)C Molport-046-852-840 [0,1,0,0,1,0|2,0,0]=4 36 B11R0.199 CC(C)(C)OCCOS(=O)(=O)C Molport-027-839-384 [0,1,0,0,0,1|2,0,0]=4 37 B11R0.180 CCOC(=O)CCN[N+](C)(C)C Molport-021-780-392 [0,2,0,0,0,0|2,0,0]=4 38 B11R0.180 C[N+](C)(C)CCNC(=O)/C=N/O Molport-006-841-958 [0,2,0,0,0,0|1,0,1]=4 39 B9R1.114 C[N+](C)(C)CC1CCC1 Molport-046-842-918 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.148 C[N+]1(CCCCCC1)C Molport-035-897-692 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.35 CC(C)C1CNC(=O)C1 Molport-016-636-049 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.147 CC1(CC1)CCC(=O)O Molport-003-178-985 [0,0,0,1,1,0|2,0,0]=4 43 B9R1.164 CC1(CC(C1)C(=O)N)C Molport-028-847-234 [0,0,0,1,1,0|2,0,0]=4 44 B9R1.164 CC1(CC(C1)C(=O)O)C Molport-019-906-269 [0,0,0,1,1,0|2,0,0]=4 45 B11R1.155 CC(C)(C)C1CC(=O)CCO1 Molport-020-874-093 [0,0,0,1,0,1|2,0,0]=4 46 B11R1.730 CC(=O)C1CCOC(C1)(C)C Molport-002-506-960 [0,0,0,1,0,1|2,0,0]=4 47 B11R1.571 C[N+](C)(C)C1CCS(=O)(=O)C1 Molport-000-755-389 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.488 C[N+]1(C[C@@H]([C@H](C1)O)C(=O)[O-])C Molport-002-512-212 [0,1,0,1,0,0|2,0,0]=4 49 B11R2.1077 CC1(CCC(=O)C2C1C2)C Molport-029-511-318 [0,0,0,2,0,0|2,0,0]=4 50 B7R0.6 CC(=O)CCC(=O)C Molport-000-871-964 [1,0,0,0,1,0|2,0,0]=4 51 B7R0.6 CC(=O)CCN(C)C Molport-002-485-442 [1,0,0,0,1,0|0,0,1]=3 52 B7R0.6 CC(=O)CSC(C)C Molport-004-770-656 [1,0,0,0,1,0|2,0,0]=4 53 B7R0.6 CC(C)COC(=O)Cl Molport-001-767-556 [1,0,0,0,1,0|2,0,0]=4 54 B7R0.6 CN(C)CCC(=O)O Molport-001-790-337 [1,0,0,0,1,0|1,0,1]=4 55 B7R0.9 CC(=O)CC(C)(C)N Molport-003-906-257 [0,0,0,0,2,0|2,0,0]=4 56 B7R0.9 CC(=O)CC(C)(C)O Molport-001-779-725 [0,0,0,0,2,0|2,0,0]=4 57 B7R0.9 CC(C)(C)CC(=O)N Molport-006-712-047 [0,0,0,0,2,0|2,0,0]=4 58 B7R0.9 CC(C)(C)CC(=O)O Molport-001-757-233 [0,0,0,0,2,0|2,0,0]=4 59 B7R0.9 C[N+](C)(C)CC(=O)N Molport-000-714-762 [0,0,0,0,2,0|1,0,0]=3 60 B7R0.9 C[N+](C)(C)CC(=O)N Molport-002-508-979 [0,0,0,0,2,0|1,0,0]=3 61 B9R0.55 CC(=O)CCCOC(=O)C Molport-001-790-649 [1,0,0,0,0,1|2,0,0]=4