0 B8R0.4 NCCCCCCCO D74762 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 NC(=O)CCCCCCO AC4329 [0,1,0,0,0,0|1,0,0]=2 2 B9R1.5 CC1CNCCCC1O 73109 [0,0,0,1,0,0|1,0,2]=4 3 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,0,0,1,0,0|2,0,0]=3 4 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,0,0,1,0,0|1,0,0]=2 5 B9R1.5 N[C@H]1COCCNC1=O 58513 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.8 C=CC[C@H]1CCCCN1 D81549 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.8 C=CC[C@H]1CCCCN1 Y11433 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [0,0,0,1,0,0|1,0,1]=3 11 B9R1.8 COC[C@H]1CCCCN1 C76178 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.15 CN[C@H]1CCCCC1=O 79572 [0,0,0,1,0,0|1,0,0]=2 13 B9R1.15 CO[C@H]1CCCC[C@H]1N P20242 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.15 N[C@H]1CCCC[C@@H]1CO AC1009 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.15 N[C@H]1CCCC[C@H]1CO F18294 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.33 COC[C@H]1CCCC1=O 79670 [0,0,0,1,0,0|1,0,0]=2 17 B8R0.1 C=CCC[C@@H](O)CCC D93149 [1,1,0,0,0,0|0,0,1]=3 18 B8R0.7 CN(C)CCCCCN D83961 [1,1,0,0,0,0|2,0,0]=4 19 B8R0.7 NCCOCCC(=O)O C72750 [1,1,0,0,0,0|2,0,0]=4 20 B10R0.4 C#CCCCCCCC(=O)O AT18741 [0,2,0,0,0,0|0,0,1]=3 21 B10R0.4 O=C(O)COCCOCCO C70220 [0,2,0,0,0,0|2,0,0]=4 22 B10R0.74 COC(=O)CCCCCCO W16829 [0,2,0,0,0,0|1,0,0]=3 23 B10R0.71 NCCCCCNCCCN F51687 [0,2,0,0,0,0|1,0,1]=4 24 B8R1.2 BrCC1CCSCC1 D84726 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.2 CC[C@H]1CCCCN1 Y10393 [1,0,0,1,0,0|1,0,0]=3 26 B8R1.2 CC[C@H]1CNCCN1 C12792 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.2 FC[C@H]1CCCCN1 P12638 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.2 FC[C@H]1CCCCN1 P14249 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.2 NC[C@H]1CCCOC1 P15860 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.2 NC[C@H]1CCCOC1 P15862 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.2 OC[C@H]1CCCCO1 92919 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.2 OC[C@H]1CCCCO1 P13405 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.2 OC[C@H]1CCCOC1 P13406 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.2 OC[C@H]1CCCOC1 P13407 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [1,0,0,1,0,0|1,0,0]=3 38 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.8 NCC[C@H]1CCOC1 D96809 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.10 OCCCC1CNC1 D96736 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.11 CC1CCCC1CO 72730 [1,0,0,1,0,0|0,0,1]=3 52 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.22 C[C@H]1CCOCCN1 C90344 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.22 F[C@H]1CCCCNC1 72929 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.22 F[C@H]1CCCNCC1 72243 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.22 N[C@H]1CCCCNC1 32198 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.22 N[C@H]1CCCOCC1 33401 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.18 C[C@H](N)CC1CCCCC1 C75565 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.18 O=C(O)C[C@H]1CNCCO1 C72399 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,1,0,1,0,0|1,0,0]=3 70 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,1,0,1,0,0|1,0,0]=3 73 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,1,0,1,0,0|1,0,0]=3 74 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,1,0,1,0,0|1,0,0]=3 75 B10R1.25 CCN1CCC(=O)CC1=O 32716 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.4 COCC1=C(Br)CCCC1 E70189 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 P14151 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 P16378 [0,1,0,1,0,0|0,0,2]=4 79 B10R1.2 CN1CCC[C@H](CO)C1=O F14435 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.15 N[C@@H](CO)C1CCCCC1 Y14570 [0,1,0,1,0,0|0,0,2]=4 81 B10R2.178 O=C1CCC2CCC1N2 P16166 [0,0,0,2,0,0|1,0,0]=3 82 B10R2.178 O=C1NCC2CCC1C2 C73267 [0,0,0,2,0,0|1,0,0]=3 83 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10808 [0,0,0,2,0,0|2,0,0]=4 84 B10R2.1 N[C@H]1CC12CCCCC2 D84852 [0,0,0,2,0,0|1,0,1]=4 85 B10R2.6 C1CC[C@@H](C2CC2)NC1 C73625 [0,0,0,2,0,0|1,0,1]=4 86 B10R2.484 C1CCC2(CC1)CCN2 P10691 [0,0,0,2,0,0|1,0,1]=4 87 B10R2.484 C1CCC2(CC1)CCN2 W13908 [0,0,0,2,0,0|1,0,1]=4 88 B10R2.484 C1CCC2(CCC2)NC1 37701 [0,0,0,2,0,0|1,0,1]=4 89 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 H11466 [0,0,0,2,0,0|2,0,0]=4 90 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P14928 [0,0,0,2,0,0|2,0,0]=4 91 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P20361 [0,0,0,2,0,0|2,0,0]=4 92 B10R2.483 C1CCC2(C1)CCCN2 W13914 [0,0,0,2,0,0|1,0,1]=4 93 B10R2.15 O=C1CCNCC12CC2 P14922 [0,0,0,2,0,0|1,0,0]=3 94 B10R2.190 O=C1NCCC12CNC2 P15325 [0,0,0,2,0,0|2,0,0]=4 95 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 P21060 [0,0,0,2,0,0|1,0,0]=3 96 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 P19920 [0,0,0,2,0,0|1,0,0]=3