0 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCOC(=O)CNC CS-W020595 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.1 CC#CC(=O)OC CS-0066219 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.1 CCCC(Cl)CC CS-0102884 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CCOC(=O)C#N CS-0022374 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.1 CCOC(=O)CO CS-W019892 [1,0,0,0,0,0|0,1,0]=2 7 B6R0.1 CCO\C(O)=N\N CS-W008412 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CNC(=O)CC#N CS-W018827 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 COC(=O)C#CBr CS-0043861 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 COC(=O)CCBr CS-W008728 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 COC(=O)\C=C\I CS-0042162 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.3 CCOC(=O)C(=O)CBr CS-W008597 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.3 [C@H](N)(CO)C(=O)OCC CS-W017712 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.11 N#CC1CCCC1=O CS-W005103 [0,0,0,1,0,0|3,0,0]=4 26 B5R0.1 CC#CC(=O)O CS-W007936 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 CC(=O)CC#N CS-W020196 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 CCOC(=N)N CS-W019160 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 CCOC(=S)[S-] CS-W020193 [2,0,0,0,0,0|0,1,1]=4 31 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|0,1,0]=3 33 B5R0.3 CCC(Br)CC CS-0015742 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.3 COC(=O)CCCBr CS-W004701 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.3 COC(=O)CCCCl CS-0001466 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [1,1,0,0,0,0|0,1,1]=4 40 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [1,1,0,0,0,0|0,0,2]=4 41 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [1,1,0,0,0,0|0,0,0]=2 42 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.10 COC(=O)C(N)CO CS-W014338 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.34 C(C(=O)OCC)=C(\C)C=O CS-W008241 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|1,1,0]=4 50 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,2,0,0,0,0|1,0,0]=3 51 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,2,0,0,0,0|1,0,0]=3 52 B9R0.34 CCOC(=O)NC(=O)CCl CS-0093623 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.48 CCOC(=O)\C=C\N(C)C CS-0028335 [0,2,0,0,0,0|1,0,1]=4 56 B9R0.48 CCOC(=O)\C=C\N(C)C CS-W008982 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.6 CCOC(=O)C(=O)C(C)Br CS-W006537 [0,2,0,0,0,0|1,0,1]=4 58 B9R0.6 CCOC(=O)C(C)C(C)=O CS-W004822 [0,2,0,0,0,0|1,0,0]=3 59 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O CS-W021073 [0,2,0,0,0,0|1,0,0]=3 60 B9R0.6 [C@@H](N)(C(=O)OCC)C(C)C CS-W008384 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.44 CC(C)(C)OC(=O)CC#N CS-D1442 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.44 CC(C)(C)OC(=O)CCBr CS-W022995 [0,2,0,0,0,0|2,0,0]=4 63 B9R0.44 CC(C)(C)OC(=O)CCN CS-W007578 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.44 CC(C)(C)OC(=O)CCN CS-W018756 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.44 CNNC(=O)OC(C)(C)C CS-W019664 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.53 CC(C)OC(=O)OC(C)Cl CS-W021319 [0,2,0,0,0,0|2,0,0]=4 67 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|0,1,0]=3 68 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 O=C1CCNCC1 CS-W018762 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 O=C1CCNCC1 CS-W020094 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 O=C1COCCN1 CS-D1427 [1,0,0,1,0,0|1,1,0]=4 73 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|0,1,0]=3 74 B7R1.3 O=C1CSCCN1 CS-W019146 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.4 O=C1NCCC1O CS-W005201 [1,0,0,1,0,0|1,1,0]=4 77 B7R1.4 O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|0,1,0]=3 78 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [1,0,0,1,0,0|0,1,0]=3 79 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.73 CCOC(=N)C1CCC1 CS-B1686 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.73 CCOC(=O)C1CCC1 CS-D1706 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.5 NC1CCCCNC1=O CS-M1433 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.74 CCOC(=O)C1(Br)CC1 CS-W018973 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.74 CCOC(=O)C1(N)CC1 CS-W008095 [0,1,0,1,0,0|1,0,0]=3