0 B6R0.1 CCCC(=O)NO CSC000190123 [1,0,0,0,0,0|2,0,0]=3 1 B8R0.1 CCCCS(=O)CCO CSC000117714 [0,1,0,0,0,0|1,0,0]=2 2 B8R0.1 CCOC(=O)CCSC CSC000173045 [0,1,0,0,0,0|1,0,0]=2 3 B8R0.1 CCOC(=O)CSCC CSC000172126 [0,1,0,0,0,0|1,0,0]=2 4 B8R0.6 CCCSCC(=O)OC CSC000151543 [0,1,0,0,0,0|1,0,0]=2 5 B8R0.6 COC(=O)CCCSC CSC011216297 [0,1,0,0,0,0|1,0,0]=2 6 B8R0.6 COC(=O)CSCC#N CSC000151542 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.6 COC(=O)CSCC=C CSC000151546 [0,1,0,0,0,0|1,0,2]=4 8 B8R0.9 COC(=O)CSC(C)C CSC000151538 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.25 CCCCS(=O)(=O)CC CSC000047449 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.25 CCCNS(=O)(=O)CC CSC000169743 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.25 CNS(=O)(=O)CCCCl CSC000751688 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.1 CSC1=NC(CS1)C CSC016132209 [0,0,0,1,0,0|3,0,0]=4 13 B7R0.1 CCSCCSCC CSC000031094 [1,1,0,0,0,0|1,0,0]=3 14 B9R0.4 CC(C)NC(=O)NCCN CSC011374587 [0,2,0,0,0,0|2,0,0]=4 15 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [0,2,0,0,0,0|0,0,0]=2 16 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [0,2,0,0,0,0|1,0,0]=3 17 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [0,2,0,0,0,0|1,0,0]=3 18 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [0,2,0,0,0,0|1,0,0]=3 19 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,2,0,0,0,0|1,0,0]=3 20 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,2,0,0,0,0|0,0,0]=2 21 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,2,0,0,0,0|0,0,0]=2 22 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,2,0,0,0,0|0,0,0]=2 23 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,2,0,0,0,0|0,0,0]=2 24 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,2,0,0,0,0|0,0,0]=2 25 B9R0.5 CCNC(=O)NCCC#C CSC011979724 [0,2,0,0,0,0|0,0,2]=4 26 B9R0.5 CCNC(=O)NCCOC CSC000163157 [0,2,0,0,0,0|1,0,0]=3 27 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [0,2,0,0,0,0|0,0,1]=3 28 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [0,2,0,0,0,0|1,0,1]=4 29 B9R0.5 COCCNC(=O)COC CSC000157859 [0,2,0,0,0,0|1,0,0]=3 30 B9R0.8 CCCNC(=O)C(=O)NC CSC015545704 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.8 CCCOC(=O)C(C)CC CSC011213261 [0,2,0,0,0,0|1,0,0]=3 32 B9R0.8 COC(=O)N(C)CCCN CSC000739217 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.18 CCCCC(=O)OCCC CSC000169915 [0,2,0,0,0,0|0,0,0]=2 34 B9R0.18 CCCCN(C)CCCC CSC000020957 [0,2,0,0,0,0|2,0,0]=4 35 B9R0.18 CCCCN(C)CCCN CSC011191814 [0,2,0,0,0,0|2,0,0]=4 36 B9R0.18 CCCCS(=O)CCCC CSC000031468 [0,2,0,0,0,0|1,0,0]=3 37 B9R0.18 CCCNC(=O)NCC=C CSC000178634 [0,2,0,0,0,0|1,0,1]=4 38 B9R0.18 CCCNC(=O)NCCC CSC000163711 [0,2,0,0,0,0|1,0,0]=3 39 B9R0.34 CCC(C)NC(=O)CNC CSC000225638 [0,2,0,0,0,0|1,0,0]=3 40 B9R0.34 CCC(C)NC(=O)COC CSC000157950 [0,2,0,0,0,0|1,0,0]=3 41 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [0,2,0,0,0,0|1,0,0]=3 42 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [0,2,0,0,0,0|0,0,0]=2 43 B9R0.34 CCCC(C)NC(=O)OC CSC000236099 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.34 CCCC(O)CC(=O)OC CSC000065524 [0,2,0,0,0,0|1,0,0]=3 45 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [0,2,0,0,0,0|0,0,0]=2 46 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [0,2,0,0,0,0|0,0,0]=2 47 B9R0.40 CCCCN(CC)CCN CSC011208488 [0,2,0,0,0,0|2,0,0]=4 48 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [0,2,0,0,0,0|1,0,0]=3 49 B9R0.48 CCNC(=O)NCC(=C)C CSC012183401 [0,2,0,0,0,0|1,0,1]=4 50 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,2,0,0,0,0|0,0,1]=3 51 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [0,2,0,0,0,0|0,0,0]=2 52 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [0,2,0,0,0,0|1,0,0]=3 53 B9R0.66 CCCCS(=O)(=O)CCO CSC000106901 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.12 CCCC(OC)C(=O)OC CSC048932557 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.12 CCCN(CC)C(=O)CN CSC011283607 [0,2,0,0,0,0|2,0,0]=4 56 B9R0.23 CC(C)CC(N)C(=O)NN CSC011965212 [0,2,0,0,0,0|2,0,0]=4 57 B9R0.23 CC(C)CN(C)C(=O)CN CSC011284681 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.23 CNC(=O)C(N)CC(C)C CSC000746592 [0,2,0,0,0,0|1,0,0]=3 59 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [0,2,0,0,0,0|0,0,0]=2 60 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.1 COC(=O)CSCC(=O)C CSC000151549 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.20 CCCCCS(=O)(=O)CC CSC009861012 [0,2,0,0,0,0|1,0,0]=3 64 B9R0.20 CCCCNS(=O)(=O)CC CSC000169618 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.20 CCS(=O)(=O)NCCOC CSC000169508 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.20 CCSCCS(=O)(=O)CC CSC000077101 [0,2,0,0,0,0|1,0,0]=3 67 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [0,2,0,0,0,0|1,0,0]=3 68 B9R0.46 CCC(=O)NCCCOC CSC000159236 [0,2,0,0,0,0|0,0,0]=2 69 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,2,0,0,0,0|2,0,0]=4 70 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,2,0,0,0,0|1,0,0]=3 71 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,2,0,0,0,0|0,0,0]=2 72 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,2,0,0,0,0|0,0,0]=2 73 B9R0.46 CNC(=O)NCCCOC CSC000235188 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.46 COC(=O)CSCCC#N CSC000151555 [0,2,0,0,0,0|1,0,1]=4 75 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [0,2,0,0,0,0|1,0,0]=3 76 B9R0.47 CCCCNC(=O)C(=O)N CSC000124963 [0,2,0,0,0,0|1,0,1]=4 77 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [0,2,0,0,0,0|0,0,0]=2 78 B9R0.47 CCCCNC(=O)N(C)C CSC000178555 [0,2,0,0,0,0|1,0,0]=3 79 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,2,0,0,0,0|0,0,0]=2 80 B9R0.47 COCCNC(=O)C(C)C CSC000242828 [0,2,0,0,0,0|1,0,0]=3 81 B9R0.50 CCOCCN(CC)CC CSC000224614 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.3 CC(F)(F)C(=O)NCCO CSC000061730 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.3 CCCNC(=O)C(C)(C)C CSC011196987 [0,2,0,0,0,0|1,0,0]=3 84 B9R0.3 CCCNC(=O)C(C)(C)N CSC011440749 [0,2,0,0,0,0|1,0,0]=3 85 B9R0.3 CCCOC(=O)C(C)(C)C CSC000750052 [0,2,0,0,0,0|1,0,0]=3 86 B9R0.3 CCCOC(=O)C(C)(Cl)Cl CSC000077208 [0,2,0,0,0,0|1,0,0]=3 87 B9R0.7 CC(C)CNC(=O)C(C)C CSC000171983 [0,2,0,0,0,0|1,0,0]=3 88 B9R0.7 CC(C)COC(=O)C(C)C CSC000005786 [0,2,0,0,0,0|1,0,0]=3 89 B9R0.42 CCC(=O)NC(C)C(C)C CSC011195746 [0,2,0,0,0,0|1,0,0]=3 90 B9R0.42 CCC(C)NC(=O)C(C)C CSC000171953 [0,2,0,0,0,0|1,0,0]=3 91 B9R0.42 COC(=O)NC(C)C(C)C CSC000236162 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.21 CCC(=O)NCC(C)(C)C CSC011466750 [0,2,0,0,0,0|1,0,0]=3 93 B9R0.21 CNC(=O)CCC(C)(C)N CSC011964573 [0,2,0,0,0,0|1,0,0]=3 94 B9R0.21 COC(=O)CCC(F)(F)F CSC011217211 [0,2,0,0,0,0|2,0,0]=4 95 B9R0.64 CCS(=O)(=O)NCC(C)C CSC000169685 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.26 CCC(CC)NC(=O)CC CSC000160997 [0,2,0,0,0,0|1,0,0]=3 97 B9R0.26 CCC(O)CN(CC)CC CSC011366112 [0,2,0,0,0,0|2,0,0]=4 98 B9R0.26 CCN(CC)CC(=O)OC CSC000224619 [0,2,0,0,0,0|2,0,0]=4 99 B9R0.22 CCC(=O)NC(C)(C)CC CSC000174106 [0,2,0,0,0,0|1,0,0]=3 100 B9R0.22 CCC(C)NS(=O)(=O)CC CSC000169515 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.73 CSCC(=O)N1CCC1 CSC015245199 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.11 CNC(=O)C1CCSC1 CSC012026102 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.1 CCN1CCS(=O)CC1 CSC046116413 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.80 ClCC(=O)NCC1CC1 CSC000736049 [0,1,0,1,0,0|1,0,0]=3