0 B8R0.6 CCCSCC(=O)OC CSC000151543 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.6 COC(=O)CCCSC CSC011216297 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.6 COC(=O)CSCC#N CSC000151542 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.6 COC(=O)CSCC=C CSC000151546 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [0,1,0,0,0,0|0,0,3]=4 6 B9R0.1 COC(=O)CSCC(=O)C CSC000151549 [0,1,0,0,0,0|1,0,2]=4 7 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|0,0,2]=3 9 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.5 COCCNC(=O)COC CSC000157859 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.8 CCCNC(=O)C(=O)NC CSC015545704 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.8 COC(=O)N(C)CCCN CSC000739217 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [0,1,0,0,0,0|0,0,2]=3 17 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.34 CCCC(C)NC(=O)OC CSC000236099 [0,1,0,0,0,0|1,0,1]=3 19 B9R0.34 CCCC(O)CC(=O)OC CSC000065524 [0,1,0,0,0,0|0,0,2]=3 20 B9R0.46 CCC(=O)NCCCOC CSC000159236 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|0,0,2]=3 22 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|1,0,2]=4 23 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.46 CNC(=O)NCCCOC CSC000235188 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.46 COC(=O)CSCCC#N CSC000151555 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.47 CCCCNC(=O)N(C)C CSC000178555 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [0,0,0,1,0,0|1,0,1]=3 31 B9R1.11 COC(=O)c1cccs1 CSC000148991 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.11 COC(=O)c1ccsc1 CSC000194046 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.11 COC(=O)c1cncs1 CSC000241751 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.11 COC(=O)c1cscn1 CSC011218915 [0,0,0,1,0,0|2,0,1]=4 35 B6R0.1 CCCC(=O)NO CSC000190123 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.9 COC(=O)CSC(C)C CSC000151538 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.57 CNC(=O)C(=O)NCC(C)C CSC015427634 [0,2,0,0,0,0|2,0,0]=4 39 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|0,0,2]=4 40 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|0,0,2]=4 41 B10R0.1 COCCCNC(=O)COC CSC000159247 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|0,0,2]=4 44 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|0,0,2]=4 45 B10R0.83 CCCCNC(=O)C(=O)NC CSC016213076 [0,2,0,0,0,0|1,0,1]=4 46 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,2,0,0,0,0|0,0,2]=4 47 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|0,0,2]=4 48 B10R0.108 CCOC(=O)NCC(=O)OC CSC000161429 [0,2,0,0,0,0|1,0,1]=4 49 B10R0.46 CCC(C)NC(=O)C(=O)NC CSC015540854 [0,2,0,0,0,0|2,0,0]=4 50 B10R0.85 CCCCC(CC)C(=O)OC CSC011302608 [0,2,0,0,0,0|0,0,2]=4 51 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,2,0,0,0,0|0,0,2]=4 52 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,2,0,0,0,0|0,0,2]=4 53 B10R1.14 COC(=O)C1CCC(C1)C CSC010443940 [0,1,0,1,0,0|0,0,2]=4 54 B10R1.14 COC(=O)c1ccc(o1)C CSC000151062 [0,1,0,1,0,0|0,0,2]=4 55 B10R1.14 COC(=O)c1ccc(s1)C CSC000150765 [0,1,0,1,0,0|0,0,2]=4 56 B10R1.14 COC(=O)c1ccn(n1)C CSC000698609 [0,1,0,1,0,0|1,0,1]=4 57 B10R1.14 COC(=O)c1cnn(n1)C CSC012184621 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.14 COC(=O)c1coc(c1)C CSC012017277 [0,1,0,1,0,0|1,0,1]=4 59 B10R1.14 COC(=O)c1coc(n1)C CSC000067300 [0,1,0,1,0,0|1,0,1]=4 60 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,1,0,1,0,0|0,0,0]=2 61 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|0,0,2]=4 64 B10R1.15 COC(=O)C1=CCCCC1 CSC011219632 [0,1,0,1,0,0|0,0,0]=2 65 B10R1.15 COC(=O)C1CCC=CC1 CSC000148649 [0,1,0,1,0,0|0,0,2]=4 66 B10R1.15 COC(=O)C1CCCCC1 CSC000148678 [0,1,0,1,0,0|0,0,2]=4 67 B10R1.15 COC(=O)C1CCCCO1 CSC011625642 [0,1,0,1,0,0|0,0,2]=4 68 B10R1.15 COC(=O)C1CCCOC1 CSC011744426 [0,1,0,1,0,0|0,0,2]=4 69 B10R1.15 COC(=O)C1CCOCC1 CSC000193737 [0,1,0,1,0,0|0,0,2]=4 70 B10R1.15 COC(=O)C1CCSCC1 CSC000070458 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.15 COC(=O)C1COCCO1 CSC011294760 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.15 COC(=O)N1CCCCC1 CSC000235962 [0,1,0,1,0,0|0,0,2]=4 73 B10R1.15 COC(=O)N1CCNCC1 CSC000746444 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.411 COC(=O)C1(CCCC1)C CSC000240993 [0,1,0,1,0,0|0,0,2]=4 75 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [0,1,0,1,0,0|0,0,2]=4 76 B10R1.27 COC(=O)CC1CCCO1 CSC000244803 [0,1,0,1,0,0|0,0,2]=4 77 B10R1.131 CCCC1=NN(C(=O)C1)C CSC000175193 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [0,1,0,1,0,0|0,0,2]=4 79 B10R1.149 COC(=O)c1ccoc1C CSC000198963 [0,1,0,1,0,0|0,0,2]=4 80 B10R1.149 COC(=O)c1ccsc1C CSC012003538 [0,1,0,1,0,0|0,0,2]=4 81 B10R1.149 COC(=O)c1cn[nH]c1C CSC011998119 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.149 COC(=O)c1cnnn1C CSC012184884 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.149 COC(=O)c1cocc1C CSC009857685 [0,1,0,1,0,0|0,0,2]=4 84 B10R1.149 COC(=O)c1csnc1C CSC000106640 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.149 COC(=O)c1ncoc1C CSC000063398 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.149 COC(=O)c1sccc1C CSC000150764 [0,1,0,1,0,0|0,0,2]=4 87 B10R1.149 COC(=O)c1scnc1C CSC011302605 [0,1,0,1,0,0|1,0,1]=4