0 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.7 CC#CC(=O)OCC CS-W009547 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.7 CCOC(=O)CCBr CS-W007449 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.7 CCOC(=O)CNC CS-W020595 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.6 CCOC(=O)C(=O)C(C)Br CS-W006537 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.6 CCOC(=O)C(C)C(C)=O CS-W004822 [0,1,0,0,0,0|0,0,0]=1 13 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O CS-W021073 [0,1,0,0,0,0|0,0,2]=3 14 B9R0.6 [C@@H](N)(C(=O)OCC)C(C)C CS-W008384 [0,1,0,0,0,0|1,0,1]=3 15 B9R0.34 C(C(=O)OCC)=C(\C)C=O CS-W008241 [0,1,0,0,0,0|0,0,1]=2 16 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,1,0,0,0,0|0,0,0]=1 18 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,1,0,0,0,0|0,0,0]=1 19 B9R0.34 CCOC(=O)NC(=O)CCl CS-0093623 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.53 CC(C)OC(=O)OC(C)Cl CS-W021319 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.66 O=C1CS(=O)(=O)CCN1 CS-0096157 [0,0,0,1,0,0|3,0,0]=4 23 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,0,0,0,1,0|1,0,0]=2 24 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,0,0,0,1,0|1,1,0]=3 25 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,0,0,0,1,0|1,0,1]=3 26 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,0,0,0,0,1|1,0,0]=2 27 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,0,0,0,0,1|1,0,0]=2 28 B9R0.48 CCOC(=O)\C=C\N(C)C CS-0028335 [0,0,0,0,0,1|2,0,1]=4 29 B9R0.48 CCOC(=O)\C=C\N(C)C CS-W008982 [0,0,0,0,0,1|2,0,1]=4 30 B6R0.1 CC#CC(=O)OC CS-0066219 [2,0,0,0,0,0|0,0,2]=4 31 B6R0.1 CCOC(=O)C#N CS-0022374 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.1 CCOC(=O)CO CS-W019892 [2,0,0,0,0,0|0,0,1]=3 33 B6R0.1 COC(=O)CCBr CS-W008728 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.1 COC(=O)\C=C\I CS-0042162 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [2,0,0,0,0,0|0,0,2]=4 37 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085625 [2,0,0,0,0,0|0,0,2]=4 38 B6R0.2 NC(=O)CC(N)=O CS-W011312 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.4 CO\C=C\C(C)=O CS-W013712 [2,0,0,0,0,0|0,0,1]=3 41 B8R0.16 COC(CC(C)=O)OC CS-0008327 [1,1,0,0,0,0|0,0,2]=4 42 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [1,1,0,0,0,0|0,0,0]=2 43 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [1,1,0,0,0,0|0,0,1]=3 45 B8R0.1 CCOC(=O)CCC#N CS-0094471 [1,1,0,0,0,0|0,0,2]=4 46 B8R0.1 CCOC(=O)CCCN CS-W010794 [1,1,0,0,0,0|0,0,1]=3 47 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [1,1,0,0,0,0|0,0,1]=3 48 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [1,1,0,0,0,0|0,0,2]=4 49 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [1,1,0,0,0,0|0,1,1]=4 51 B8R0.3 [C@H](N)(CO)C(=O)OCC CS-W017712 [1,1,0,0,0,0|0,0,2]=4 52 B10R0.26 CCOC(=O)CC(=O)C(C)C CS-W016205 [0,1,0,0,0,1|1,0,1]=4 53 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC CS-W010608 [0,1,0,0,0,1|1,0,1]=4 54 B10R0.18 C#CCCC(=O)CC(=O)OC CS-0038476 [0,2,0,0,0,0|1,0,1]=4 55 B10R0.36 CCOC(=O)C(C)(C)C(=O)O CS-M2955 [0,2,0,0,0,0|1,0,0]=3 56 B10R0.36 CCOC(=O)C(Cl)(Cl)C(C)=O CS-W010521 [0,2,0,0,0,0|0,0,0]=2 57 B10R0.2 CCOC(=O)C[C@H](O)CC#N CS-W002591 [0,2,0,0,0,0|0,0,2]=4 58 B10R0.2 CCOC(=O)NC(=O)CC#N CS-W001933 [0,2,0,0,0,0|1,0,0]=3 59 B10R0.31 CC(=O)CC(=O)SC(C)(C)C CS-B0729 [0,2,0,0,0,0|0,1,0]=3 60 B10R0.31 CC(C)(C)OC(=O)CC(=O)O CS-D1454 [0,2,0,0,0,0|1,0,0]=3 61 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.64 O=C(O)CN1CCCC1=O CS-W005106 [0,0,0,1,0,1|2,0,0]=4 63 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 CS-0101607 [0,0,0,1,0,1|2,0,0]=4 64 B10R1.140 CCOC(=O)C1CC(O)C1 CS-0044007 [0,0,0,1,0,1|0,0,2]=4 65 B10R1.135 CCOC(=O)C1CC1C#N CS-0049506 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.137 CCOC(=O)CC1CCC1 CS-D0101 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.329 CC1(C)CC(=O)NC(=O)C1 CS-W022042 [0,1,0,1,0,0|2,0,0]=4 68 B6R0.3 COC(=O)C(C)N CS-W011040 [1,0,0,0,1,0|1,0,1]=4 69 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [1,0,0,0,1,0|1,0,1]=4 70 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [1,0,0,0,1,0|1,0,1]=4 71 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [1,0,0,0,1,0|1,0,1]=4 72 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,0,0,0,0,2|0,0,0]=2