0 B8R0.22 CCCC(CBr)CCC 78361 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.7 CCC[C@H](N)CC#N Y14537 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.2 CCN1CCN[C@@H](C)C1 Y13515 [0,0,0,1,0,0|3,0,0]=4 3 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P18693 [0,0,0,1,0,0|0,1,0]=2 4 B9R1.2 CO[C@H]1CCC[C@H](N)C1 D96542 [0,0,0,1,0,0|1,1,0]=3 5 B9R1.2 CO[C@H]1CCN[C@@H](C)C1 P18685 [0,0,0,1,0,0|1,1,0]=3 6 B9R1.7 NCCC1CCC(F)C1 AC4332 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.7 O[C@H]1CCN(CCCl)C1 D78904 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.8 C=CC[C@H]1CCCCN1 D81549 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.8 C=CC[C@H]1CCCCN1 Y11433 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.8 CCCN1CCNCC1 D87901 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.8 COC[C@H]1CCCCN1 C76178 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.175 COC1(CCO)COC1 P18427 [0,0,0,1,0,0|1,1,0]=3 14 B8R0.1 C=CCC[C@@H](O)CCC D93149 [1,1,0,0,0,0|1,1,0]=4 15 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [1,1,0,0,0,0|1,0,1]=4 16 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [1,0,0,1,0,0|0,1,1]=4 17 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [1,0,0,1,0,0|2,0,0]=4 18 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [1,0,0,1,0,0|2,0,0]=4 19 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [1,0,0,1,0,0|1,0,0]=3 20 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [1,0,0,1,0,0|1,0,0]=3 21 B8R1.4 NC1CCCC(F)C1 D96615 [1,0,0,1,0,0|2,0,0]=4 22 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [1,0,0,1,0,0|2,0,0]=4 23 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [1,0,0,1,0,0|1,0,0]=3 24 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [1,0,0,1,0,0|1,0,0]=3 25 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [1,0,0,1,0,0|1,0,0]=3 27 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [1,0,0,1,0,0|1,1,0]=4 28 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [1,0,0,1,0,0|1,1,0]=4 29 B8R1.6 NC1CN(CCO)C1 P18354 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.8 NCC[C@H]1CCOC1 D96809 [1,0,0,1,0,0|1,0,0]=3 32 B8R1.11 CC1CCCC1CO 72730 [1,0,0,1,0,0|0,0,0]=2 33 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [1,0,0,1,0,0|1,0,0]=3 34 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [1,0,0,1,0,0|1,1,0]=4 38 B8R1.18 CN1C[C@H](O)[C@@H](F)C1 97557 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.18 CN1C[C@H](O)[C@H](N)C1 P17126 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.22 C[C@H]1CCOCCN1 C90344 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.22 F[C@H]1CCCNCC1 72243 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.22 N[C@H]1CCCOCC1 33401 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.66 OCCC1(F)COC1 P12174 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.1 CC1CC(CO)CN1 83595 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.1 CC1CCC(CO)C1 72724 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.1 C[C@H]1CN[C@@H](CO)C1 87742 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.1 OC[C@H]1C[C@H](F)CN1 73103 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.1 OC[C@H]1C[C@H](F)CN1 D79543 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.2 C#C[C@H]1CCCOC1 P12240 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.2 CC[C@H]1CCCCN1 Y10393 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.2 CC[C@H]1CNCCN1 C12792 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 CN[C@H]1CCCOC1 D96690 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.2 FC[C@H]1CCCCN1 P12638 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.2 FC[C@H]1CCCCN1 P14249 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.2 NC[C@H]1CCCOC1 P15860 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.2 NC[C@H]1CCCOC1 P15862 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.2 OC[C@H]1CCCCO1 92919 [1,0,0,1,0,0|0,1,0]=3 58 B8R1.2 OC[C@H]1CCCCO1 P13405 [1,0,0,1,0,0|0,1,0]=3 59 B8R1.2 OC[C@H]1CCCOC1 P13406 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.2 OC[C@H]1CCCOC1 P13407 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.60 CNC1(CO)COC1 37987 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.15 N[C@@H](CO)C1CCCCC1 Y14570 [0,1,0,1,0,0|1,0,0]=3 64 B10R1.18 C[C@H](N)CC1CCCCC1 C75565 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.18 C[C@H](O)CC1CCNCC1 D79799 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P19276 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.384 OCCC1(CCO)COC1 D74815 [0,1,0,1,0,0|1,1,0]=4 68 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 P16378 [0,1,0,1,0,0|1,0,0]=3 69 B10R2.71 NC1CC2CCC(C1)C2 37863 [0,0,0,2,0,0|2,0,0]=4 70 B10R2.71 OC1CC2CCC(C1)O2 P10814 [0,0,0,2,0,0|2,0,0]=4 71 B10R2.2 OC1CC2CNCC2C1 P13125 [0,0,0,2,0,0|2,0,0]=4 72 B10R2.2 O[C@@H]1C[C@@H]2CNC[C@@H]2C1 P19002 [0,0,0,2,0,0|2,0,0]=4 73 B10R2.2 O[C@H]1C[C@@H]2CNC[C@@H]2C1 P13675 [0,0,0,2,0,0|2,0,0]=4 74 B10R2.332 O[C@@H]1CSC2(CNC2)C1 W14089 [0,0,0,2,0,0|1,0,0]=3 75 B10R2.332 O[C@H]1CCC2(CNC2)C1 P17463 [0,0,0,2,0,0|2,0,0]=4 76 B10R2.1 N[C@H]1CC12CCCCC2 D84852 [0,0,0,2,0,0|2,0,0]=4 77 B10R2.6 C1CC[C@@H](C2CC2)NC1 C73625 [0,0,0,2,0,0|2,0,0]=4 78 B10R2.484 C1CCC2(CC1)CCN2 P10691 [0,0,0,2,0,0|2,0,0]=4 79 B10R2.484 C1CCC2(CC1)CCN2 W13908 [0,0,0,2,0,0|2,0,0]=4 80 B10R2.484 C1CCC2(CCC2)NC1 37701 [0,0,0,2,0,0|2,0,0]=4 81 B10R2.60 NC1CC2CC1CC2O P15407 [0,0,0,2,0,0|2,0,0]=4