0 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,0,0,0,0,0|0,0,0]=1 6 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.7 CC#CC(=O)OCC CS-W009547 [1,0,0,0,0,0|0,0,2]=3 8 B7R0.7 CCOC(=O)CCBr CS-W007449 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.7 CCOC(=O)CNC CS-W020595 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.6 CCOC(=O)C(=O)C(C)Br CS-W006537 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.6 CCOC(=O)C(C)C(C)=O CS-W004822 [0,1,0,0,0,0|0,0,2]=3 12 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O CS-W021073 [0,1,0,0,0,0|0,0,0]=1 13 B9R0.6 [C@@H](N)(C(=O)OCC)C(C)C CS-W008384 [0,1,0,0,0,0|1,0,0]=2 14 B9R0.34 C(C(=O)OCC)=C(\C)C=O CS-W008241 [0,1,0,0,0,0|0,0,3]=4 15 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,1,0,0,0,0|1,0,2]=4 16 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,1,0,0,0,0|0,0,2]=3 17 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,1,0,0,0,0|0,0,2]=3 18 B9R0.34 CCOC(=O)NC(=O)CCl CS-0093623 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.53 CC(C)OC(=O)OC(C)Cl CS-W021319 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.53 P(=O)(OC(C)C)OC(C)C CS-0021106 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.38 CC1(C)CC(=O)OC1=O CS-W007998 [0,0,0,1,0,0|2,0,1]=4 22 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,0,0,0,1,0|1,0,2]=4 23 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,0,0,0,1,0|1,1,1]=4 24 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,0,0,0,1,0|1,0,0]=2 25 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,0,0,0,0,1|1,0,1]=3 26 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,0,0,0,0,1|1,0,1]=3 27 B9R0.48 CCOC(=O)\C=C\N(C)C CS-0028335 [0,0,0,0,0,1|2,0,1]=4 28 B9R0.48 CCOC(=O)\C=C\N(C)C CS-W008982 [0,0,0,0,0,1|2,0,1]=4 29 B6R0.1 CC#CC(=O)OC CS-0066219 [2,0,0,0,0,0|0,0,2]=4 30 B6R0.1 CCCC(Cl)CC CS-0102884 [2,0,0,0,0,0|1,0,1]=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|0,0,0]=2 33 B6R0.1 COC(=O)CCBr CS-W008728 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.2 CC(=O)NC(C)C CS-M3536 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [2,0,0,0,0,0|0,0,1]=3 36 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [2,0,0,0,0,0|0,0,2]=4 37 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [2,0,0,0,0,0|0,0,1]=3 38 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [1,1,0,0,0,0|0,0,2]=4 40 B8R0.23 CC(C)OC(=O)[C@@H](C)N CS-M2998 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [1,1,0,0,0,0|0,0,2]=4 42 B8R0.1 CCOC(=O)CCC#N CS-0094471 [1,1,0,0,0,0|0,0,1]=3 43 B8R0.1 CCOC(=O)CCCN CS-W010794 [1,1,0,0,0,0|0,0,0]=2 44 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.3 CCOC(=O)C(=O)CBr CS-W008597 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [1,1,0,0,0,0|0,0,1]=3 47 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [1,1,0,0,0,0|0,1,0]=3 49 B8R0.3 [C@H](N)(CO)C(=O)OCC CS-W017712 [1,1,0,0,0,0|0,0,0]=2 50 B8R0.14 CC(C)(C)C(=O)OCI CS-0066217 [0,1,0,0,1,0|2,0,0]=4 51 B10R0.26 CCOC(=O)CC(=O)C(C)C CS-W016205 [0,1,0,0,0,1|1,0,0]=3 52 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC CS-W010608 [0,1,0,0,0,1|1,0,0]=3 53 B10R0.109 CCOC(=O)CCC(F)(F)F CS-B0243 [0,1,0,0,0,1|2,0,0]=4 54 B10R0.36 CCOC(=O)C(C)(C)C(=O)O CS-M2955 [0,2,0,0,0,0|1,0,1]=4 55 B10R0.36 CCOC(=O)C(Cl)(Cl)C(C)=O CS-W010521 [0,2,0,0,0,0|0,0,2]=4 56 B10R0.2 CCOC(=O)C[C@H](O)CC#N CS-W002591 [0,2,0,0,0,0|0,0,0]=2 57 B10R0.31 CC(C)(C)OC(=O)CC(=O)O CS-D1454 [0,2,0,0,0,0|1,0,1]=4 58 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.72 CC1(O)CCCCC1 CS-W013634 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.72 CC1(O)CCNCC1 CS-M0531 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.72 CC1(O)CCNCC1 CS-W004838 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.5 CC1NCCNC1=O CS-0046850 [0,0,0,1,1,0|2,0,0]=4 63 B8R1.5 O=C1NCCCC1O CS-W008630 [0,0,0,1,1,0|1,0,0]=3 64 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [0,0,0,1,0,1|1,0,0]=3 65 B10R1.140 CCOC(=O)C1CC(O)C1 CS-0044007 [0,0,0,1,0,1|0,0,0]=2 66 B10R1.61 CC(C)C1CNCCC1=O CS-D1334 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.135 CCOC(=O)C1CC1C#N CS-0049506 [0,1,0,1,0,0|1,0,0]=3 68 B10R1.137 CCOC(=O)CC1CCC1 CS-D0101 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.485 CC1(C#N)CCCC(=O)C1 CS-D1237 [0,1,0,1,0,0|2,0,0]=4 70 B6R0.3 COC(=O)C(C)N CS-W011040 [1,0,0,0,1,0|1,0,0]=3 71 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [1,0,0,0,1,0|1,0,0]=3 72 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [1,0,0,0,1,0|1,0,0]=3 73 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [1,0,0,0,1,0|1,0,0]=3 74 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,0,0,0,0,2|0,0,2]=4