0 B8R0.4 CCCSSSCCC ACT06147 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 C#CCCCCCO ACT09966 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.1 C(CCCO)CCN ACT05269 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.1 C(CCCS)CCS ACT06276 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.1 CCCSSCC=C ACT06226 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.1 CCCSSCCC ACT06139 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.45 CCCCCCCCC#C ACT10241 [0,1,0,0,0,0|1,0,1]=3 7 B9R1.8 C1CCN(CC1)CCCl ACT05803 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.8 C1CCN[C@@H](C1)CCO ACT02082 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.8 C1COCCC1CCO ACT09747 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.15 CN1CCCCC1CCl ACT09451 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.15 CN1CCCCC1CO ACT04178 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.15 CN1CCCC[C@@H]1CO ACT10048 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.15 CN1CCCC[C@H]1CO ACT08347 [0,0,0,1,0,0|3,0,0]=4 14 B6R0.6 CNCCCNC ACT10138 [2,0,0,0,0,0|2,0,0]=4 15 B8R0.6 C(CCN)C[C@@H](CO)N ACT07913 [1,1,0,0,0,0|2,0,0]=4 16 B8R0.6 CCCCCC(C#C)O ACT10370 [1,1,0,0,0,0|0,0,2]=4 17 B8R0.6 CCCCCC(C=C)O ACT05316 [1,1,0,0,0,0|0,0,2]=4 18 B8R0.6 CCCCCC(CC)O ACT06057 [1,1,0,0,0,0|0,0,0]=2 19 B10R0.71 C(CCCCO)CCCCBr ACT09848 [0,2,0,0,0,0|1,0,0]=3 20 B8R1.2 C1CC(CNC1)CO ACT04176 [1,0,0,1,0,0|2,0,0]=4 21 B8R1.2 C1CCC(CC1)CO ACT10090 [1,0,0,1,0,0|1,0,0]=3 22 B8R1.2 C1CCNC(C1)CO ACT02103 [1,0,0,1,0,0|2,0,0]=4 23 B8R1.2 C1CCN[C@@H](C1)CO ACT09705 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.2 C1CCN[C@H](C1)CO ACT09534 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.2 C1CNCCC1CO ACT02060 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.2 C1COCCC1CN ACT01866 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.2 C1COCCC1CO ACT04637 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.2 CNC1CCOCC1 ACT10530 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.5 C1CCC(C(C1)N)N ACT11641 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.5 C1CC[C@@H]([C@H](C1)N)N ACT02838 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT03415 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11629 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.5 C1CC[C@H]([C@@H](C1)N)N ACT11642 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.8 C1CC(NC1)CCO ACT09194 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.11 CN1CCCC1CO ACT09599 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.11 CN1CCC[C@@H]1CO ACT10747 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.11 CN1CCC[C@H]1CO ACT09566 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.22 C1CCNCC(C1)N ACT07491 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.22 CN1CCCNCC1 ACT09728 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.21 COCCO[C@H]1CCNC1 ACT10496 [0,1,0,1,0,0|1,1,0]=4 41 B10R1.85 C1CCCN(CC1)CCN ACT02127 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.17 C#CCCC1CCCCC1 ACT08543 [0,1,0,1,0,0|1,0,1]=4 43 B10R1.20 CN[C@@H]1CCCC[C@H]1NC ACT05183 [0,1,0,1,0,0|2,0,0]=4 44 B10R1.20 CN[C@@H]1CCCC[C@H]1NC ACT10100 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.20 CN[C@H]1CCCC[C@@H]1NC ACT06590 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.20 CN[C@H]1CCCC[C@@H]1NC ACT06592 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.1 CCCC1CCC(=O)CC1 ACT05145 [0,1,0,1,0,0|1,0,1]=4 48 B10R2.7 C1CCC2CNCC2C1 ACT11680 [0,0,0,2,0,0|1,0,0]=3 49 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 ACT11681 [0,0,0,2,0,0|1,0,0]=3 50 B10R2.7 C1C[C@H]2CNC[C@H]2NC1 ACT04867 [0,0,0,2,0,0|2,0,0]=4