0 B8R0.1 CCC#CC(=O)OCC CS-0049392 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.1 CCOC(=O)C#CCBr CS-0964527 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.1 CCOC(=O)CCCO CS-0539430 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.1 CCOC(=O)CCSC CS-W010980 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.3 COC(=O)CCCO CS-0042326 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.3 O=C(CBr)CCCBr CS-1172752 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.7 CCOC(=O)\C=C/I CS-0151925 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.7 CCOC(=O)\C=C\F CS-0890432 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.5 CCOC(=O)\C=C\CCO CS-0079974 [0,1,0,0,0,0|0,0,2]=3 10 B9R0.34 CCOC(=O)CC(=O)CO CS-0093884 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.34 CCOC(=O)CC(O)CCl CS-0187412 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.34 CCOC(=O)\C=C(/C)CO CS-0106213 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.35 CCCC(C)C(=O)OCC CS-W016383 [0,1,0,0,0,0|0,0,0]=1 14 B9R0.35 CCOC(=O)C(Br)CCBr CS-0005423 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.2 CCC1CC(=O)CCN1 CS-0443395 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.8 CCCC1CCCCN1 CS-0152399 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.8 CCOC1CCNCC1 CS-0206667 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.15 O=C1CCCC=C1CO CS-0883202 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.15 O=C1NCCCC1CO CS-0437764 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.33 NCCN1CCCC1=O CS-0054196 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.48 O=C1CC(O)CCCN1 CS-0568375 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.50 OC1CCCCCCC1 CS-0204887 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.134 CCC[N+]1(C)CCCC1 CS-0528870 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.183 CCOC(=O)C1CC1C CS-0242636 [0,0,0,1,0,0|0,0,0]=1 25 B6R0.6 CCCCCCO CS-0076046 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.1 CCC(=O)CC#N CS-0084645 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.1 CCC(=O)CSC CS-0434652 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.1 COC(=O)CSC CS-W013574 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.4 O=C(O)CCCF CS-0491783 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.4 CC\C=C/CCCCO CS-0153943 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.3 C=CCC(N)C(=O)OC CS-0158009 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.3 CCCC(O)C(C)CC CS-0872989 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.3 COC(=O)[C@@H](O)CCN CS-0611326 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.8 CC(C)C(=O)OCCO CS-0608394 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.11 CCCCC(CC)CN CS-W016071 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [1,1,0,0,0,0|0,0,0]=2 37 B8R0.30 CCCS(=O)(=O)OCC CS-1053391 [1,1,0,0,0,0|1,0,0]=3 38 B10R0.28 CC(C)(C)OC(=O)CCCI CS-0651966 [0,2,0,0,0,0|1,0,0]=3 39 B10R0.32 CCOC(=O)C(O)NC(C)=O CS-0145253 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.32 CCOC(=O)[C@@H](N)CC(N)=O CS-0539309 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.1 CCOC(=O)CCCCCN CS-W005831 [0,2,0,0,0,0|0,0,0]=2 42 B10R0.1 CCOC(=O)COCCCO CS-0621207 [0,2,0,0,0,0|0,0,0]=2 43 B10R0.108 CCCC(=O)OCC(O)CO CS-0331773 [0,2,0,0,0,0|2,0,0]=4 44 B10R0.7 CCOC(=O)CC(C)(C)CN CS-B0952 [0,2,0,0,0,0|1,0,0]=3 45 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [1,0,0,1,0,0|0,0,2]=4 46 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.1 N#C[C@H]1CCC(=O)C1 CS-0476471 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.18 CC1OC(=O)OC1C CS-0511127 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.37 CCOC(=O)C1CO1 CS-0049393 [1,0,0,1,0,0|1,0,0]=3 54 B10R1.61 CC(=O)N1CCCCC1=O CS-0171654 [0,1,0,1,0,0|1,0,1]=4 55 B10R1.10 NCCN1CCNC(=O)C1 CS-0506389 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.19 NCC1CCCCNC1=O CS-0530567 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.19 O=C1CCCCCN1CO CS-0241684 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO CS-0527625 [0,1,0,1,0,0|0,0,0]=2 59 B10R1.137 CCOC(=O)CC1CNC1 CS-0640704 [0,1,0,1,0,0|0,0,0]=2 60 B10R1.30 CCN1C[C@@H](C)NCC1=O CS-0911697 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.2 CCN1CCCC(N)C1=O CS-0298515 [0,1,0,1,0,0|1,0,0]=3 62 B10R1.212 CCOC(=O)C(O)C1CC1 CS-0342549 [0,1,0,1,0,0|0,0,0]=2 63 B10R1.401 CCOC(=O)C1(C)CNC1 CS-0615303 [0,1,0,1,0,0|1,0,0]=3 64 B10R1.1 CCOC1CCC(O)CC1 CS-0754423 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.64 CC(=O)N[C@H]1CCOC1=O CS-0343312 [0,1,0,1,0,0|1,0,1]=4 66 B10R2.534 O=C1CCNC2(CC2)C1 CS-0506033 [0,0,0,2,0,0|2,0,0]=4 67 B10R2.2 O=C1CC2CNCC2C1 CS-0049655 [0,0,0,2,0,0|2,0,0]=4 68 B10R2.2 [C@H]12C=CC[C@H]1OC(=O)C2 CS-0510555 [0,0,0,2,0,0|0,0,2]=4 69 B10R2.190 O=C1NCCC12CNC2 CS-0052138 [0,0,0,2,0,0|2,0,0]=4