0 B8R0.6 CCCSCC(=O)OC CSC000151543 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.6 COC(=O)CCCSC CSC011216297 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [0,1,0,0,0,0|1,0,2]=4 3 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [0,1,0,0,0,0|1,0,2]=4 4 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|0,0,2]=3 6 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,1,0,0,0,0|1,0,2]=4 7 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.20 CCCCCS(=O)(=O)CC CSC009861012 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.34 CCCC(C)NC(=O)OC CSC000236099 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.34 CCCC(O)CC(=O)OC CSC000065524 [0,1,0,0,0,0|1,0,1]=3 15 B9R0.46 CCC(=O)NCCCOC CSC000159236 [0,1,0,0,0,0|1,0,2]=4 16 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|0,0,2]=3 20 B9R0.46 CNC(=O)NCCCOC CSC000235188 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [0,1,0,0,0,0|1,0,1]=3 22 B9R0.47 CCCCNC(=O)C(=O)N CSC000124963 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.47 CCCCNC(=O)N(C)C CSC000178555 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,1,0,0,0,0|1,0,2]=4 26 B9R1.11 CNC(=O)C1CCSC1 CSC012026102 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.80 ClCC(=O)NCC1CC1 CSC000736049 [0,0,0,1,0,0|2,0,1]=4 29 B6R0.1 CCCC(=O)NO CSC000190123 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.7 CCCCSCC(=C)C CSC000026947 [1,1,0,0,0,0|1,0,1]=4 31 B10R0.98 CC(C)CCNC(=O)C(=O)N CSC000013945 [0,2,0,0,0,0|2,0,0]=4 32 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|0,0,2]=4 33 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,2,0,0,0,0|0,0,2]=4 34 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|0,0,2]=4 35 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|0,0,2]=4 36 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|0,0,2]=4 37 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|0,0,2]=4 38 B10R0.6 COCCOC(=O)C=C(C)C CSC000024270 [0,2,0,0,0,0|2,0,0]=4 39 B10R0.83 CCCCNC(=O)C(=O)NC CSC016213076 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,2,0,0,0,0|0,0,0]=2 41 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|0,0,2]=4 42 B10R0.91 CCCCNC(=O)NCC=C CSC000178633 [0,2,0,0,0,0|1,0,0]=3 43 B10R0.85 CCCCC(CC)C(=O)NC CSC011221039 [0,2,0,0,0,0|1,0,1]=4 44 B10R0.85 CCCCC(CC)C(=O)NN CSC011221128 [0,2,0,0,0,0|2,0,0]=4 45 B10R0.85 CCCCC(CC)C(=O)OC CSC011302608 [0,2,0,0,0,0|1,0,1]=4 46 B10R0.55 CC(=O)NCCNC(=O)C=C CSC011325651 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [0,2,0,0,0,0|2,0,0]=4 48 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,2,0,0,0,0|1,0,1]=4 49 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,2,0,0,0,0|1,0,1]=4 50 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,2,0,0,0,0|0,0,2]=4 51 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.75 CCCCCCC(=O)N(C)C CSC011221090 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.75 CCCCCNC(=O)C(=O)N CSC048324000 [0,2,0,0,0,0|1,0,0]=3 54 B10R0.75 CCCCCNC(=O)C(C)C CSC011195860 [0,2,0,0,0,0|0,0,2]=4 55 B10R0.75 CCCCCOC(=O)C(C)C CSC000054037 [0,2,0,0,0,0|0,0,2]=4 56 B10R0.75 COCCCNC(=O)C(=O)O CSC000238783 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.14 COC(=O)C1CCC(C1)C CSC010443940 [0,1,0,1,0,0|1,0,1]=4 58 B10R1.21 CCCNCc1cccs1 CSC000186944 [0,1,0,1,0,0|1,1,0]=4 59 B10R1.21 CCCNCc1ccsc1 CSC000201670 [0,1,0,1,0,0|1,1,0]=4 60 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|0,0,2]=4 61 B10R1.15 C=CC(=O)N1CCOCC1 CSC011215905 [0,1,0,1,0,0|1,0,0]=3 62 B10R1.15 CCC(=O)N1CCCCC1 CSC000157697 [0,1,0,1,0,0|0,0,2]=4 63 B10R1.15 CNC(=O)C1CCCCC1 CSC000159838 [0,1,0,1,0,0|1,0,1]=4 64 B10R1.15 CNC(=O)C1CCCCO1 CSC012026083 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.15 CNC(=O)C1CCCOC1 CSC000698928 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.15 CNC(=O)C1CCSCC1 CSC016062598 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.15 COC(=O)C1CCCCC1 CSC000148678 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.15 COC(=O)C1CCCCO1 CSC011625642 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.15 COC(=O)C1CCCOC1 CSC011744426 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.15 COC(=O)C1CCOCC1 CSC000193737 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.15 COC(=O)C1CCSCC1 CSC000070458 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.15 COC(=O)N1CCCCC1 CSC000235962 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.15 OCC(=O)N1CCCCC1 CSC011315646 [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|1,0,1]=4 75 B10R1.27 CCC(=O)NC1CCCC1 CSC000160926 [0,1,0,1,0,0|0,0,2]=4 76 B10R1.27 CNC(=O)CC1CCCN1 CSC011463786 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.27 CNC(=O)CC1CCCO1 CSC011295658 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.27 CNC(=O)NC1CCCC1 CSC000235269 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.27 COC(=O)CC1CCCO1 CSC000244803 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.27 ClCC(=O)NC1CCCC1 CSC000183512 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.27 NCC(=O)NC1CCCC1 CSC000168434 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.149 CNC(=O)C1CCCN1C CSC000054904 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.149 CNC(=O)C1CCOC1C CSC012638678 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.149 CNC(=O)[C@H]1CNC[C@@H]1C [0,1,0,1,0,0|1,0,1]=4 86 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.23 CN(C)C(=O)C1CCCC1 CSC000159596 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.23 NC(=O)C(=O)N1CCCC1 CSC048036079 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.23 OC(=O)C(=O)N1CCCC1 CSC000238780 [0,1,0,1,0,0|2,0,0]=4