0 B8R0.4 NCCCCCCCO D74762 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 NC(=O)CCCCCCO AC4329 [0,1,0,0,0,0|2,0,0]=3 2 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,0,0,1,0,0|2,0,0]=3 3 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,0,0,1,0,0|2,0,0]=3 4 B9R1.5 N[C@H]1COCCNC1=O 58513 [0,0,0,1,0,0|3,0,0]=4 5 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.8 C=CC[C@H]1CCCCN1 D81549 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.8 C=CC[C@H]1CCCCN1 Y11433 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.15 CN[C@H]1CCCCC1=O 79572 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.33 COC[C@H]1CCCC1=O 79670 [0,0,0,1,0,0|2,0,0]=3 12 B8R0.1 C=CCC[C@@H](O)CCC D93149 [1,1,0,0,0,0|1,0,0]=3 13 B8R0.7 NCCOCCC(=O)O C72750 [1,1,0,0,0,0|2,0,0]=4 14 B10R0.4 C#CCCCCCCC(=O)O AT18741 [0,2,0,0,0,0|1,0,1]=4 15 B10R0.4 O=C(O)COCCOCCO C70220 [0,2,0,0,0,0|2,0,0]=4 16 B10R0.74 COC(=O)CCCCCCO W16829 [0,2,0,0,0,0|2,0,0]=4 17 B8R1.2 CC[C@H]1CCCCN1 Y10393 [1,0,0,1,0,0|1,0,1]=4 18 B8R1.2 CN[C@H]1CCCOC1 D96690 [1,0,0,1,0,0|1,0,1]=4 19 B8R1.2 NC[C@H]1CCCOC1 P15860 [1,0,0,1,0,0|1,0,1]=4 20 B8R1.2 NC[C@H]1CCCOC1 P15862 [1,0,0,1,0,0|1,0,1]=4 21 B8R1.2 OC[C@H]1CCCOC1 P13406 [1,0,0,1,0,0|1,0,1]=4 22 B8R1.2 OC[C@H]1CCCOC1 P13407 [1,0,0,1,0,0|1,0,1]=4 23 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [1,0,0,1,0,0|1,0,1]=4 24 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.8 NCC[C@H]1CCOC1 D96809 [1,0,0,1,0,0|1,0,1]=4 29 B8R1.11 CC1CCCC1CO 72730 [1,0,0,1,0,0|0,0,2]=4 30 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [1,0,0,1,0,0|1,0,1]=4 35 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,1,0,1,0,0|2,0,0]=4 36 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,1,0,1,0,0|2,0,0]=4 37 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,1,0,1,0,0|2,0,0]=4 38 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,1,0,1,0,0|2,0,0]=4 39 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,1,0,1,0,0|2,0,0]=4 40 B10R1.2 CN1CCC[C@H](CO)C1=O F14435 [0,1,0,1,0,0|2,0,0]=4 41 B10R2.178 O=C1CCC2CCC1N2 P16166 [0,0,0,2,0,0|2,0,0]=4 42 B10R2.178 O=C1NCC2CCC1C2 C73267 [0,0,0,2,0,0|1,0,0]=3 43 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10808 [0,0,0,2,0,0|2,0,0]=4 44 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 H11466 [0,0,0,2,0,0|2,0,0]=4 45 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P14928 [0,0,0,2,0,0|2,0,0]=4 46 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P20361 [0,0,0,2,0,0|2,0,0]=4 47 B10R2.15 O=C1CCNCC12CC2 P14922 [0,0,0,2,0,0|2,0,0]=4 48 B10R2.190 O=C1NCCC12CNC2 P15325 [0,0,0,2,0,0|2,0,0]=4 49 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 P21060 [0,0,0,2,0,0|2,0,0]=4 50 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 P19920 [0,0,0,2,0,0|2,0,0]=4