0 B11R1.25 COC(=O)CCN1CCCC1 D72568 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.25 COC(=O)CNC1CCCC1 AB10047 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 NC(=S)NC[C@H]1CCCO1 D92698 [1,0,0,0,0,0|2,1,0]=4 3 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 67410 [0,1,0,0,0,0|3,0,0]=4 4 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 AT23681 [0,1,0,0,0,0|3,0,0]=4 5 B12R1.264 C[C@H](N)C(=O)OCC1CCCC1 A50622 [0,1,0,0,0,0|1,0,0]=2 6 B10R0.74 COC(=O)CCCCCCN F19219 [0,0,1,0,0,0|3,0,0]=4 7 B12R2.6 O=C1CC[C@H](N2CCCC2)N1 D76183 [0,0,0,1,0,0|3,0,0]=4 8 B12R2.1175 O=C1C=CC2(CCCC2)CC1 F19764 [0,0,0,1,0,0|2,0,1]=4 9 B12R2.1175 O=C1CCC2(CCCC2)CC1 F19719 [0,0,0,1,0,0|2,0,0]=3 10 B12R2.1596 COC(=O)C1=CC2CCC1O2 F52822 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [0,0,0,0,1,0|2,0,0]=3 12 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [0,0,0,0,1,0|1,0,0]=2 13 B10R1.27 COC(=O)C[C@H]1CCOC1 D76458 [0,0,0,0,1,0|3,0,0]=4 14 B10R1.151 COC(=O)\C=C\C1CCC1 W11680 [0,0,0,0,1,0|2,0,1]=4 15 B9R0.46 CCOCCNC(=O)CCl A50975 [1,0,1,0,0,0|2,0,0]=4 16 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,0,1,0,0,0|1,0,1]=4 17 B9R0.46 COC(=O)COCCCO 56926 [1,0,1,0,0,0|2,0,0]=4 18 B9R1.12 CCCC[C@H]1CCCN1 N12661 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.12 CNCC[C@H]1CCCO1 F20641 [2,0,0,0,0,0|1,0,1]=4 20 B11R0.4 CCOC(=O)COCCCCO AT19862 [0,1,1,0,0,0|2,0,0]=4 21 B11R1.35 O=C(O)[C@@H](O)CC1CCCO1 89287 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.75 C=C1CN[C@@H](COC(C)=O)C1 F50304 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.39 COC(=O)C[C@@H]1C[C@H](O)CN1 F51547 [0,1,0,0,1,0|2,0,0]=4 24 B11R1.289 CCOC(=O)CCC1CCC1 F52482 [0,1,0,0,1,0|1,0,0]=3 25 B11R1.293 COC(=O)[C@@H](O)CC1CCC1 69649 [0,1,0,0,1,0|2,0,0]=4 26 B11R1.332 C[C@H](N)C(=O)OCC1CCC1 A50623 [0,1,0,0,1,0|0,0,0]=2 27 B13R1.42 CCOC(=O)CCC1CCNCC1 74898 [0,1,0,0,0,1|2,0,0]=4 28 B13R1.42 CCOC(=O)CCC1CCNCC1 C16277 [0,1,0,0,0,1|2,0,0]=4 29 B13R1.42 NCCC(=O)NCC1CCCCC1 F21112 [0,1,0,0,0,1|2,0,0]=4 30 B13R1.404 CCOC(=O)CCNC1CCCC1 F51476 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.222 COC(=O)C1CCCCC1O D76886 [0,0,1,1,0,0|2,0,0]=4 32 B11R2.1261 C1COC2(C1)CCNCC2 F13279 [1,0,0,1,0,0|2,0,0]=4 33 B11R2.359 O=C1CC2CCC(CN1)N2 AT25155 [1,0,0,1,0,0|2,0,0]=4 34 B11R2.845 CC(=O)C1CC2CCC1O2 F50487 [1,0,0,1,0,0|1,0,0]=3 35 B11R2.845 O=C(O)C1CC2CCC1O2 F51361 [1,0,0,1,0,0|2,0,0]=4 36 B11R2.352 O=C1C[C@H](C2CCC2)CN1 AT19188 [0,0,0,1,1,0|2,0,0]=4 37 B11R2.742 O=C1C=CC2(CCC2)CC1 F19772 [0,0,0,1,1,0|1,0,1]=4 38 B11R2.742 O=C1COC2(CCC2)CN1 W15926 [0,0,0,1,1,0|2,0,0]=4 39 B13R2.5037 O=C1CCC2(CCNCC2)CC1 91369 [0,0,0,1,0,1|2,0,0]=4 40 B13R2.5037 O=C1CC[C@]2(CCCNC2)CN1 D73387 [0,0,0,1,0,1|2,0,0]=4 41 B13R2.12 O=C1CCN(C2CCCC2)CC1 E10273 [0,0,0,1,0,1|2,0,0]=4 42 B13R2.11122 O=C1CCC2(CCN1)OCCO2 F12390 [0,0,0,1,0,1|2,0,0]=4 43 B13R2.856 CCOC(=O)C1CC2CCC1O2 F51517 [0,1,0,1,0,0|1,0,0]=3 44 B13R2.5046 O=C1CCC2(C[C@@H]1O)OCCO2 AC1175 [0,1,0,1,0,0|2,0,0]=4 45 B13R2.5046 O=C1CCC2(C[C@@H]1O)OCCO2 AC6945 [0,1,0,1,0,0|2,0,0]=4 46 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [0,0,1,0,1,0|2,0,0]=4 47 B9R1.13 CC(=O)CC1CCCC1 N12760 [1,0,0,0,1,0|1,0,0]=3 48 B9R1.13 CC(=O)CN1CCCC1 F50500 [1,0,0,0,1,0|2,0,0]=4 49 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,0,0,0,2,0|1,0,0]=3 50 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [0,0,0,0,2,0|2,0,0]=4 51 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [0,0,0,0,2,0|2,0,0]=4 52 B9R1.79 CNC(=O)C[C@H]1CCN1 F50337 [0,0,0,0,2,0|2,0,0]=4 53 B9R1.79 CNC(=O)OC1CNC1 AT23014 [0,0,0,0,2,0|2,0,0]=4 54 B9R1.79 NCC(=O)NC1CCC1 98117 [0,0,0,0,2,0|2,0,0]=4