0 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.3 COCC(=O)NCCC(=O)O CSC000195326 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.1 COC(=O)CSCC(=O)C CSC000151549 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 CCCCCCCC(=O)N CSC011216093 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.2 CCCCCCOC(=O)C CSC000032130 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,0,0,0,0,0|2,0,1]=4 13 B11R0.104 CCCS(=O)(=O)NCCC(=O)O CSC000165794 [0,1,0,0,0,0|2,0,0]=3 14 B11R0.174 CCOC(=O)CSCC(=O)OC CSC000151535 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O CSC012447290 [0,0,0,1,0,0|2,0,1]=4 16 B11R1.15 CCCC(=O)N1CC[C@H](C1)O CSC012447084 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.15 CCOC(=O)C1CNC(=O)C1 CSC011840728 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.157 CC1CCCC(C1)CC(=O)N CSC000058057 [0,0,0,1,0,0|2,0,1]=4 19 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,0,0,0,1,0|2,0,0]=3 20 B9R0.48 COCC(=O)NCC(=O)O CSC000194626 [0,0,0,0,1,0|2,0,0]=3 21 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,0,0,0,0,1|1,0,0]=2 22 B10R0.59 COC(=O)CCCC(=O)OC CSC000037473 [1,1,0,0,0,0|1,0,0]=3 23 B10R0.59 COC(=O)COCC(=O)OC CSC000054108 [1,1,0,0,0,0|2,0,0]=4 24 B10R0.59 COC(=O)CSCC(=O)OC CSC000151545 [1,1,0,0,0,0|2,0,0]=4 25 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [1,1,0,0,0,0|1,0,1]=4 26 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [1,1,0,0,0,0|1,0,1]=4 27 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [1,1,0,0,0,0|1,0,1]=4 28 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [1,1,0,0,0,0|1,0,1]=4 29 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [1,1,0,0,0,0|0,0,1]=3 30 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [1,1,0,0,0,0|0,0,1]=3 31 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [1,1,0,0,0,0|1,0,1]=4 32 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [1,1,0,0,0,0|1,0,1]=4 33 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.96 CC(C)CC(=O)NCC(=O)O CSC000194594 [0,1,0,0,1,0|1,0,0]=3 35 B10R0.96 CC(C)NC(=O)CCC(=O)O CSC000199435 [0,1,0,0,1,0|1,0,0]=3 36 B10R0.96 CC(C)OC(=O)CCC(=O)C CSC000031084 [0,1,0,0,1,0|2,0,0]=4 37 B10R0.105 CCCS(=O)(=O)NCC(=O)O CSC000165744 [0,1,0,0,1,0|2,0,0]=4 38 B12R0.86 CSC(C)C(=O)NCCCC(=O)O CSC020366257 [0,1,0,0,0,1|1,0,0]=3 39 B12R0.172 CCCS(=O)(=O)NCCCC(=O)O CSC000165800 [0,1,0,0,0,1|1,0,0]=3 40 B12R0.172 CCNS(=O)(=O)NCCCC(=O)O CSC013084467 [0,1,0,0,0,1|2,0,0]=4 41 B12R0.2 CC(CC(=O)O)CC(=O)NCC=C CSC011778247 [0,2,0,0,0,0|0,0,2]=4 42 B12R0.2 CCCNC(=O)CC(C)CC(=O)O CSC011778250 [0,2,0,0,0,0|0,0,0]=2 43 B12R0.563 CSC(C)C(=O)NC(C)CC(=O)O CSC012905377 [0,2,0,0,0,0|2,0,0]=4 44 B12R0.140 CC(C)(C)NC(=O)CSCC(=O)O CSC000150192 [0,2,0,0,0,0|2,0,0]=4 45 B12R0.240 CCC(C)NC(=O)CSCC(=O)N CSC017388332 [0,2,0,0,0,0|2,0,0]=4 46 B12R0.240 CSC(C)CC(=O)NCCC(=O)N CSC018693751 [0,2,0,0,0,0|2,0,0]=4 47 B12R0.686 CC(C)N(C)C(=O)CSCC(=O)O CSC000199418 [0,2,0,0,0,0|2,0,0]=4 48 B12R0.697 CC(C)CS(=O)(=O)NCCC(=O)O CSC012083811 [0,2,0,0,0,0|2,0,0]=4 49 B12R0.88 CSC(C)C(=O)N(C)CCC(=O)O CSC011593256 [0,2,0,0,0,0|2,0,0]=4 50 B12R0.174 CCCS(=O)(=O)N(C)CCC(=O)O CSC011389298 [0,2,0,0,0,0|2,0,0]=4 51 B12R0.193 CCOC(=O)C(C)SCC(=O)OC CSC011537611 [0,2,0,0,0,0|2,0,0]=4 52 B12R0.176 CCCS(=O)(=O)NCCC(=O)OC CSC000180795 [0,2,0,0,0,0|2,0,0]=4 53 B12R0.331 CCCNS(=O)(=O)NCCC(=O)O CSC013745239 [0,2,0,0,0,0|2,0,0]=4 54 B12R0.331 COCCS(=O)(=O)NCCC(=O)O CSC011512004 [0,2,0,0,0,0|2,0,0]=4 55 B12R0.331 OC(=O)CCNS(=O)(=O)CCCF CSC019513947 [0,2,0,0,0,0|2,0,0]=4 56 B12R0.79 CCNC(=O)CSC(C)C(=O)OC CSC011201967 [0,2,0,0,0,0|2,0,0]=4 57 B12R0.236 CSC(C)C(=O)NCC(C)C(=O)O CSC012905607 [0,2,0,0,0,0|2,0,0]=4 58 B12R0.156 COC(=O)CCNC(=O)C(C)SC CSC017438826 [0,2,0,0,0,0|2,0,0]=4 59 B12R0.677 CCC(SC)C(=O)NCCC(=O)N CSC020207163 [0,2,0,0,0,0|2,0,0]=4 60 B12R0.44 CC(C)CNC(=O)CSCC(=O)N CSC020522255 [0,2,0,0,0,0|2,0,0]=4 61 B12R0.104 CCCNC(=O)CCCS(=O)(=O)C CSC018813872 [0,2,0,0,0,0|1,0,1]=4 62 B12R0.233 CCCSCC(=O)NCCC(=O)O CSC012904872 [0,2,0,0,0,0|1,0,0]=3 63 B12R0.233 COCCNC(=O)CSCC(=O)O CSC000150188 [0,2,0,0,0,0|1,0,0]=3 64 B12R0.285 CCOC(=O)CCCC(=O)OCC CSC000034583 [0,2,0,0,0,0|1,0,0]=3 65 B12R0.285 CCOC(=O)COCC(=O)OCC CSC000054109 [0,2,0,0,0,0|2,0,0]=4 66 B12R0.285 CCOC(=O)CSCC(=O)OCC CSC000172124 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.39 CCC1NCCC1C(=O)N CSC015706231 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.66 NC(=O)CCC1CCCC1 CSC000162258 [1,0,0,1,0,0|1,0,1]=4 69 B10R1.348 NC(=O)C1CCCCCC1 CSC011707493 [1,0,0,1,0,0|1,0,1]=4 70 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [1,0,0,1,0,0|1,0,1]=4 71 B10R1.186 OCCCNC(=O)C1CC1 CSC000208351 [1,0,0,1,0,0|1,0,1]=4 72 B10R1.140 CCOC(=O)C1CC(=O)C1 CSC000094141 [0,0,0,1,1,0|2,0,0]=4 73 B12R1.226 CC1CCCN(C1)CCC(=O)O CSC025718150 [0,0,0,1,0,1|1,0,1]=4 74 B12R1.16 CCCC(=O)N1CCC(=O)CC1 CSC000162424 [0,1,0,1,0,0|2,0,0]=4 75 B12R1.353 COC(=O)CCN1CCCC1=O CSC011246361 [0,1,0,1,0,0|1,0,0]=3 76 B12R1.477 COC(=O)CCCN1CCCC1 CSC011293840 [0,1,0,1,0,0|2,0,0]=4 77 B12R0.277 CCCC(=O)NCCSCC(=O)O CSC012905717 [0,0,0,0,0,2|0,0,0]=2 78 B12R0.277 COCC(=O)NCCSCC(=O)O CSC012905718 [0,0,0,0,0,2|1,0,0]=3