0 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [1,0,0,0,0,0|1,0,0]=2 1 B9R1.2 O=C1COC[C@H](CO)N1 AT10102 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.8 COC[C@H]1CCCCN1 C76178 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 COC[C@H]1CNCCO1 C72983 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.24 CCCCC1=CC(=O)CCC1 D94147 [0,1,0,0,0,0|1,0,1]=3 6 B9R0.2 NC(=O)CCCCCCO AC4329 [0,0,1,0,0,0|2,0,0]=3 7 B9R0.5 CCCCNC(=O)CCC D86376 [0,0,1,0,0,0|1,0,0]=2 8 B11R2.1478 O=C1CCCC2(CCC2)C1 W18293 [0,0,0,1,0,0|1,0,0]=2 9 B11R2.1478 O=C1CCNC2(CCC2)C1 F31207 [0,0,0,1,0,0|2,0,0]=3 10 B11R2.1478 O=C1CNCC2(CCC2)N1 P13827 [0,0,0,1,0,0|2,0,0]=3 11 B11R2.1478 O=C1COCC2(CCC2)N1 W15706 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.33 COC[C@H]1CCCC1=O 79670 [0,0,0,0,1,0|1,0,0]=2 13 B8R0.4 NCCCCCCCO D74762 [1,0,1,0,0,0|1,0,1]=4 14 B8R0.7 NCCOCCC(=O)O C72750 [1,0,1,0,0,0|2,0,0]=4 15 B8R0.1 C=CCC[C@@H](O)CCC D93149 [1,0,1,0,0,0|0,0,1]=3 16 B8R0.22 CCCC(CBr)CCC 78361 [1,0,1,0,0,0|1,0,1]=4 17 B8R1.2 CC[C@H]1CCCCN1 Y10393 [2,0,0,0,0,0|1,0,1]=4 18 B8R1.2 OC[C@H]1CCCCO1 92919 [2,0,0,0,0,0|1,0,1]=4 19 B8R1.2 OC[C@H]1CCCCO1 P13405 [2,0,0,0,0,0|1,0,1]=4 20 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [2,0,0,0,0,0|1,0,0]=3 22 B10R0.4 C#CCCCCCCC(=O)O AT18741 [0,1,1,0,0,0|0,0,1]=3 23 B10R0.4 O=C(O)COCCOCCO C70220 [0,1,1,0,0,0|2,0,0]=4 24 B10R0.74 COC(=O)CCCCCCO W16829 [0,1,1,0,0,0|1,0,0]=3 25 B10R1.18 C[C@H](N)CC1CCCCC1 C75565 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,0,1,1,0,0|2,0,0]=4 27 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [0,0,1,1,0,0|2,0,0]=4 28 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,0,1,1,0,0|1,0,0]=3 29 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,0,1,1,0,0|1,0,0]=3 30 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,0,1,1,0,0|1,0,0]=3 31 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,0,1,1,0,0|1,0,0]=3 32 B10R2.534 O=C1CC2(CCN1)CC2 87189 [1,0,0,1,0,0|2,0,0]=4 33 B10R2.534 O=C1CCCC2(CC2)C1 P17305 [1,0,0,1,0,0|1,0,0]=3 34 B10R2.534 O=C1CNCC2(CC2)N1 P17873 [1,0,0,1,0,0|2,0,0]=4 35 B10R2.6 C1CC[C@@H](C2CC2)NC1 C73625 [1,0,0,1,0,0|1,0,1]=4 36 B10R2.484 C1CCC2(CCC2)NC1 37701 [1,0,0,1,0,0|1,0,1]=4 37 B10R2.484 C1CCC2(CNC2)OC1 W13910 [1,0,0,1,0,0|1,0,1]=4 38 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 P21060 [0,0,0,1,1,0|2,0,0]=4 39 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 P19920 [0,0,0,1,1,0|2,0,0]=4 40 B10R2.332 O=C1CCC2(CCC2)N1 91437 [0,0,0,1,1,0|1,0,0]=3 41 B10R2.332 O=C1CCC2(CNC2)N1 P14552 [0,0,0,1,1,0|2,0,0]=4 42 B10R2.332 O=C1CCC2(COC2)C1 AT10514 [0,0,0,1,1,0|2,0,0]=4 43 B10R2.190 O=C1NCCC12CNC2 P15325 [0,0,0,1,1,0|2,0,0]=4 44 B12R2.229 O=C1CCNC[C@@H]2CCCN12 P10821 [0,0,0,1,0,1|1,0,0]=3 45 B12R2.1081 O=C1CCC[C@H]2CNCCN12 98001 [0,1,0,1,0,0|1,0,0]=3 46 B12R2.1081 O=C1COC[C@@H]2CNCCN12 89522 [0,1,0,1,0,0|2,0,0]=4 47 B12R2.1081 O=C1COC[C@@H]2CNCCN12 CS2379 [0,1,0,1,0,0|2,0,0]=4 48 B12R2.1081 O=C1COC[C@@H]2CNCCN12 W14399 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.1081 O=C1NCCC2CNCCC12 56613 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.24 O=C1CCN2CCOC[C@@H]2C1 56621 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [1,0,0,0,1,0|2,0,0]=4 52 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [1,0,0,0,1,0|2,0,0]=4 53 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,0,0,0,1,0|1,0,0]=3