0 B9R0.2 NC(=O)CCCCCCO AC4329 [0,0,1,0,0,0|2,0,0]=3 1 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [0,0,1,0,0,0|3,0,0]=4 2 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [0,0,1,0,0,0|3,0,0]=4 3 B11R2.1 O=C1CC[C@H]2CNCCN12 37768 [0,0,0,1,0,0|2,0,0]=3 4 B11R2.1 O=C1CC[C@H]2CNCCN12 P11138 [0,0,0,1,0,0|2,0,0]=3 5 B11R2.10 O=C1NC2CCNCC2O1 P14510 [0,0,0,1,0,0|2,0,0]=3 6 B11R2.16 NCC1CC2CCC(C1)O2 P12539 [0,0,0,1,0,0|2,0,1]=4 7 B11R2.16 OCC1CC2CCC(C1)O2 P19924 [0,0,0,1,0,0|2,0,1]=4 8 B11R2.748 O=C1CCC2(C1)OCCO2 97648 [0,0,0,1,0,0|3,0,0]=4 9 B11R2.748 O=C1CC[C@@]2(CCNC2)N1 38006 [0,0,0,1,0,0|2,0,0]=3 10 B11R1.24 CCCCC1=CC(=O)CCC1 D94147 [0,0,0,0,0,1|1,0,1]=3 11 B8R0.4 NCCCCCCCO D74762 [1,0,1,0,0,0|1,0,1]=4 12 B8R0.7 NCCOCCC(=O)O C72750 [1,0,1,0,0,0|2,0,0]=4 13 B8R0.1 C=CCC[C@@H](O)CCC D93149 [1,0,1,0,0,0|1,0,0]=3 14 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [2,0,0,0,0,0|2,0,0]=4 15 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [2,0,0,0,0,0|2,0,0]=4 16 B8R1.8 CCC[C@H]1CCCN1 D85246 [2,0,0,0,0,0|1,0,1]=4 17 B10R0.4 C#CCCCCCCC(=O)O AT18741 [0,1,1,0,0,0|0,0,1]=3 18 B10R0.4 O=C(O)COCCOCCO C70220 [0,1,1,0,0,0|2,0,0]=4 19 B10R0.74 COC(=O)CCCCCCO W16829 [0,1,1,0,0,0|1,0,0]=3 20 B12R1.16 CCOC(=O)[C@@H]1CCC(=O)CO1 P13576 [0,1,0,0,0,1|1,0,1]=4 21 B10R1.18 O=C(O)C[C@H]1CNCCO1 C72399 [0,0,1,1,0,0|2,0,0]=4 22 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,0,1,1,0,0|2,0,0]=4 23 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [0,0,1,1,0,0|2,0,0]=4 24 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,0,1,1,0,0|1,0,0]=3 25 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,0,1,1,0,0|1,0,0]=3 26 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,0,1,1,0,0|1,0,0]=3 27 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,0,1,1,0,0|1,0,0]=3 28 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 P21060 [1,0,0,1,0,0|2,0,0]=4 29 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 P19920 [1,0,0,1,0,0|2,0,0]=4 30 B10R2.332 O=C1CCC2(CCC2)N1 91437 [1,0,0,1,0,0|1,0,0]=3 31 B10R2.332 O=C1CCC2(CNC2)N1 P14552 [1,0,0,1,0,0|2,0,0]=4 32 B10R2.332 O=C1CCC2(COC2)C1 AT10514 [1,0,0,1,0,0|2,0,0]=4 33 B10R2.483 C1CCC2(C1)CCCN2 W13914 [1,0,0,1,0,0|1,0,1]=4 34 B10R2.316 O=C1CC2(CCOC2)C1 AT10549 [0,0,0,1,1,0|2,0,0]=4 35 B12R2.1175 O=C1CNC2(CCCC2)CN1 P20910 [0,0,0,1,0,1|2,0,0]=4 36 B12R2.1081 O=C1CCC[C@H]2CNCCN12 98001 [0,0,0,1,0,1|2,0,0]=4 37 B12R2.1081 O=C1COC[C@@H]2CNCCN12 89522 [0,0,0,1,0,1|2,0,0]=4 38 B12R2.1081 O=C1COC[C@@H]2CNCCN12 CS2379 [0,0,0,1,0,1|2,0,0]=4 39 B12R2.1081 O=C1COC[C@@H]2CNCCN12 W14399 [0,0,0,1,0,1|2,0,0]=4 40 B12R2.1081 O=C1NCCC2CNCCC12 56613 [0,0,0,1,0,1|2,0,0]=4 41 B12R2.2918 O=C1CC[C@@]2(CCCNC2)O1 22963 [0,1,0,1,0,0|0,0,0]=2 42 B12R2.1168 NC1CCC2(CNC(=O)C2)C1 P18004 [0,1,0,1,0,0|2,0,0]=4 43 B12R2.1145 O=C(O)C1CC2CC1C(=O)O2 C11668 [0,1,0,1,0,0|1,0,1]=4 44 B12R2.18 CN1C(=O)O[C@H]2CNCC[C@H]21 39260 [0,1,0,1,0,0|2,0,0]=4