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|1,0,0]=1 2 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 [C@@H](N)(CO)CC(C)C CS-W016592 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,0,0,0,0,0|1,0,0]=2 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|1,0,1]=3 12 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O CS-W021073 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.6 [C@@H](N)(C(=O)OCC)C(C)C CS-W008384 [0,1,0,0,0,0|0,0,0]=1 14 B9R0.23 CC(C)OC(=O)C(=O)CBr CS-M0667 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.34 C(C(=O)OCC)=C(\C)C=O CS-W008241 [0,1,0,0,0,0|0,0,3]=4 16 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,1,0,0,0,0|1,0,1]=3 19 B9R0.34 CCOC(=O)NC(=O)CCl CS-0093623 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.44 CC(C)(C)OC(=O)CCBr CS-W022995 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.44 CC(C)(C)OC(=O)CCN CS-W007578 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.44 CC(C)(C)OC(=O)CCN CS-W018756 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.44 CNNC(=O)OC(C)(C)C CS-W019664 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.53 CC(C)OC(=O)OC(C)Cl CS-W021319 [0,1,0,0,0,0|1,0,0]=2 25 B9R0.53 P(=O)(OC(C)C)OC(C)C CS-0021106 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.38 CC1(C)CC(=O)OC1=O CS-W007998 [0,0,0,1,0,0|1,0,1]=3 27 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,0,0,0,1,0|2,0,1]=4 28 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,0,0,0,1,0|2,0,1]=4 29 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,0,0,0,1,0|1,0,0]=2 30 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,0,0,0,0,1|0,0,2]=3 31 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,0,0,0,0,1|2,0,1]=4 32 B9R0.48 CCOC(=O)\C=C\N(C)C CS-0028335 [0,0,0,0,0,1|1,0,1]=3 33 B9R0.48 CCOC(=O)\C=C\N(C)C CS-W008982 [0,0,0,0,0,1|1,0,1]=3 34 B6R0.1 CC#CC(=O)OC CS-0066219 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.1 CCCC(Cl)CC CS-0102884 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.1 CCOC(=O)C#N CS-0022374 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.1 CCOC(=O)CO CS-W019892 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.1 COC(=O)CCBr CS-W008728 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.2 CC(=O)NC(C)C CS-M3536 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CC(C)CCCO CS-W007511 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.4 CNCCC(C)C CS-W018343 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [1,1,0,0,0,0|0,0,2]=4 46 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.23 CC(C)OC(=O)[C@@H](C)N CS-M2998 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.24 CC(C)(C)OC(=O)CN CS-W019643 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.24 CNC(=O)OC(C)(C)C CS-W007463 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.34 CCS(=O)(=O)OC(C)C CS-0044479 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [1,1,0,0,0,0|0,0,2]=4 52 B8R0.1 CCOC(=O)CCC#N CS-0094471 [1,1,0,0,0,0|0,0,1]=3 53 B8R0.1 CCOC(=O)CCCN CS-W010794 [1,1,0,0,0,0|0,0,0]=2 54 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.3 CCOC(=O)C(=O)CBr CS-W008597 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [1,1,0,0,0,0|0,0,1]=3 57 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [1,1,0,0,0,0|1,0,0]=3 58 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [1,1,0,0,0,0|1,0,0]=3 59 B8R0.3 [C@H](N)(CO)C(=O)OCC CS-W017712 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.14 CC(C)(C)C(=O)OCI CS-0066217 [0,1,0,0,1,0|1,0,0]=3 61 B10R0.26 CCOC(=O)CC(=O)C(C)C CS-W016205 [0,1,0,0,0,1|0,0,0]=2 62 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC CS-W010608 [0,1,0,0,0,1|0,0,0]=2 63 B10R0.109 CCOC(=O)CCC(F)(F)F CS-B0243 [0,1,0,0,0,1|2,0,0]=4 64 B10R0.28 CC(C)(C)OC(=O)CCCO CS-W020459 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.28 CC(C)(C)OC(=O)NCCBr CS-W007731 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.28 CCNCC(=O)OC(C)(C)C CS-W018855 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.36 CCOC(=O)C(Cl)(Cl)C(C)=O CS-W010521 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.2 CCOC(=O)C[C@H](O)CC#N CS-W002591 [0,2,0,0,0,0|1,0,0]=3 69 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.72 CC1(C)CCNCC1 CS-W005691 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.5 CC1CNCCC1=O CS-D0046 [0,0,0,1,1,0|2,0,0]=4 72 B8R1.5 CC1NCCNC1=O CS-0046850 [0,0,0,1,1,0|2,0,0]=4 73 B8R1.5 O=C1NCCCC1O CS-W008630 [0,0,0,1,1,0|2,0,0]=4 74 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O CS-0101223 [0,0,0,1,0,1|1,0,1]=4 75 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [0,0,0,1,0,1|2,0,0]=4 76 B10R1.140 CCOC(=O)C1CC(O)C1 CS-0044007 [0,0,0,1,0,1|1,0,0]=3 77 B10R1.61 CC(C)C1CNCCC1=O CS-D1334 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.135 CCOC(=O)C1CC1C#N CS-0049506 [0,1,0,1,0,0|0,0,1]=3 79 B10R1.137 CCOC(=O)CC1CCC1 CS-D0101 [0,1,0,1,0,0|0,0,0]=2 80 B10R1.485 CC1(C#N)CCCC(=O)C1 CS-D1237 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.329 CC1(C)CC(=O)NC(=O)C1 CS-W022042 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.373 CC(C)(C)OC(=O)C1CC1 CS-0044361 [0,1,0,1,0,0|2,0,0]=4 83 B6R0.3 CC(C)C(=O)NN CS-0053723 [1,0,0,0,1,0|2,0,0]=4 84 B6R0.3 CN(C)C(=O)CBr CS-W017882 [1,0,0,0,1,0|2,0,0]=4 85 B6R0.3 CN(C)C(=O)CN CS-0041045 [1,0,0,0,1,0|2,0,0]=4 86 B6R0.3 COC(=O)C(C)N CS-W011040 [1,0,0,0,1,0|1,0,0]=3 87 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [1,0,0,0,1,0|1,0,0]=3 88 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [1,0,0,0,1,0|1,0,0]=3 89 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [1,0,0,0,1,0|1,0,0]=3 90 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,0,0,0,0,2|1,0,1]=4