0 B8R0.1 CCCC[C@H](N)CCO AT14318 [1,0,0,0,0,0|2,0,1]=4 1 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [1,0,0,0,0,0|3,0,0]=4 2 B10R0.32 CCOC(=O)[C@@H](N)CN(C)C AT25505 [0,1,0,0,0,0|3,0,0]=4 3 B10R1.7 N[C@H]1CCCCCC[C@@H]1O AT10943 [0,0,0,1,0,0|1,0,1]=3 4 B10R1.11 CCOC(=O)[C@@H]1CCC=N1 AC7479 [0,0,0,1,0,0|2,0,1]=4 5 B10R1.11 CCOC(=O)[C@@H]1CCON1 33805 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CBr AT12587 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CBr F50049 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 F52406 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.401 CCOC(=O)C1(O)CCC1 AT24823 [0,0,0,1,0,0|1,0,0]=2 10 B7R0.1 CCCNNCCC D79943 [2,0,0,0,0,0|2,0,0]=4 11 B7R0.3 C\C=C(/C)CCCC T72329 [2,0,0,0,0,0|1,0,1]=4 12 B7R0.7 CCC[C@H](O)COC D77523 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [2,0,0,0,0,0|2,0,0]=4 14 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [1,1,0,0,0,0|2,0,0]=4 15 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [1,1,0,0,0,0|2,0,0]=4 16 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [1,1,0,0,0,0|2,0,0]=4 17 B11R0.5 CCOC(=O)C[C@@H](C)CCCBr C92238 [0,1,0,0,0,1|2,0,0]=4 18 B11R0.5 CCOC(=O)C[C@@H](C)CCCO AC3899 [0,1,0,0,0,1|2,0,0]=4 19 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F C12819 [0,2,0,0,0,0|2,0,0]=4 20 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [1,0,0,1,0,0|1,0,0]=3 21 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P18694 [1,0,0,1,0,0|1,0,1]=4 22 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.15 CO[C@H]1COCCC1=O D75195 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [1,0,0,1,0,0|1,0,0]=3 29 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.73 NCC[C@H](O)C1CCC1 AT26524 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.75 CCNC(=O)NC1CC1 AT23682 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.134 CCC[N+]1(C)CCCC1 Y14707 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.183 CCOC(=O)C1CC1O 92030 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.3 CN1CCC[C@H](N)C1=O 20396 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.3 CN1CCC[C@H](N)C1=O 20397 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.5 O[C@H]1CCCCC[C@@H]1O D88147 [1,0,0,1,0,0|0,0,2]=4 42 B9R1.132 CCN1CC[C@H](N)C1=O AT19096 [1,0,0,1,0,0|2,0,0]=4 43 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53579 [0,0,0,1,0,1|2,0,0]=4 44 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53580 [0,0,0,1,0,1|2,0,0]=4 45 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53745 [0,0,0,1,0,1|2,0,0]=4 46 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53746 [0,0,0,1,0,1|2,0,0]=4 47 B11R1.86 CC(C)C[C@H]1COCCC1=O E73202 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.159 CC(C)N1CCC[C@H](N)C1=O 96112 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.833 CCOC(=O)C1(N)CC(C)C1 50672 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](N)C1 P13495 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](O)C1 P15696 [0,1,0,1,0,0|2,0,0]=4 52 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 P15695 [0,1,0,1,0,0|2,0,0]=4 53 B11R2.367 C[C@H]1C(=O)C2CCN1CC2 F50826 [0,0,0,2,0,0|2,0,0]=4 54 B11R2.565 O=C1C2CCCC1CNC2 P14924 [0,0,0,2,0,0|2,0,0]=4 55 B11R2.370 O=C1CCCCC12CCC2 E73395 [0,0,0,2,0,0|1,0,0]=3 56 B11R2.370 O=C1CCNCC12CCC2 AT13177 [0,0,0,2,0,0|2,0,0]=4 57 B11R2.370 O=C1NCCSC12CCC2 AT25442 [0,0,0,2,0,0|1,1,0]=4 58 B11R2.2 C1CNC(C2CCCO2)C1 E72869 [0,0,0,2,0,0|1,0,1]=4 59 B11R2.3 NC1CCCC12CCCO2 E73242 [0,0,0,2,0,0|1,0,1]=4 60 B11R2.3 O=C1NCCC12CCCC2 D85268 [0,0,0,2,0,0|2,0,0]=4