0 B12R2.10 O=C1CCC[C@H]1C2CCCC2 D83892 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.2 C1=C(N2CCCC2)CCC1 F16040 [1,0,0,0,0,0|1,0,1]=3 2 B11R2.2 C1CCN([C@H]2CCNC2)C1 FD6072 [1,0,0,0,0,0|2,0,1]=4 3 B11R2.2 C1CCN([C@H]2CCNC2)C1 P11680 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 67402 [0,0,1,0,0,0|2,0,0]=3 5 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 67409 [0,0,1,0,0,0|2,0,0]=3 6 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 67520 [0,0,1,0,0,0|2,0,0]=3 7 B11R1.31 COC(=O)[C@H](C)N1CCCC1 W10798 [0,0,1,0,0,0|2,0,0]=3 8 B11R1.199 CCOC(=O)[C@@H]1CCCC1=O TD8086 [0,0,1,0,0,0|2,0,1]=4 9 B13R3.102 OC1CC2CC1C3CCCC23 D82912 [0,0,0,1,0,0|0,0,2]=3 10 B13R2.15 O=C1CCCN1C2CCNCC2 65181 [0,0,0,0,0,1|1,0,0]=2 11 B10R1.27 COC(=O)CC1CCCC1 F11964 [1,0,1,0,0,0|1,0,0]=3 12 B10R1.27 NCC(=O)NC1CCCC1 AB1060 [1,0,1,0,0,0|2,0,0]=4 13 B10R1.27 NCC(=O)NC1CCCC1 D84387 [1,0,1,0,0,0|2,0,0]=4 14 B10R1.27 O=C(CCl)NC1CCCC1 71197 [1,0,1,0,0,0|2,0,0]=4 15 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P10053 [1,0,1,0,0,0|2,0,0]=4 16 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 AC3298 [1,0,1,0,0,0|2,0,0]=4 17 B10R1.23 N[C@H](C(=O)O)C1CCCC1 23504 [1,0,1,0,0,0|2,0,0]=4 18 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88067 [1,0,1,0,0,0|2,0,0]=4 19 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88068 [1,0,1,0,0,0|2,0,0]=4 20 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 P13952 [1,0,1,0,0,0|2,0,0]=4 21 B10R1.29 CCCCN1CCCC1=O 56158 [1,0,1,0,0,0|1,0,0]=3 22 B10R1.29 NCCCN1CCCC1=O C16349 [1,0,1,0,0,0|2,0,0]=4 23 B10R1.29 O=C1CCCN1CCCO D87262 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.255 NC(=O)CCCC[C@H]1CCSS1 D92402 [0,1,1,0,0,0|2,0,0]=4 25 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 23162 [0,1,1,0,0,0|2,0,0]=4 26 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 42222 [0,1,1,0,0,0|2,0,0]=4 27 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O 29472 [0,1,1,0,0,0|1,0,1]=4 28 B12R1.567 CCCCCC1=C(C)CCC1=O D89856 [0,1,1,0,0,0|0,0,2]=4 29 B14R2.4514 O=C1[C@@H](O)CCN1C2CCNCC2 62412 [0,1,0,0,0,1|1,0,0]=3 30 B10R0.1 CCOC(=O)CCCCCBr 73728 [0,0,2,0,0,0|2,0,0]=4 31 B10R0.1 CCOC(=O)CCCCCN V10012 [0,0,2,0,0,0|2,0,0]=4 32 B10R0.1 CCOC(=O)CCCCCO A11137 [0,0,2,0,0,0|2,0,0]=4 33 B10R0.71 C=CCCCCCCCCBr 29297 [0,0,2,0,0,0|2,0,0]=4 34 B10R0.71 CCCCCCCCCCI D95272 [0,0,2,0,0,0|1,0,1]=4 35 B10R0.71 CCCCCCCCCCN C93407 [0,0,2,0,0,0|1,0,1]=4 36 B10R0.71 CCCCCCCCCCS D94658 [0,0,2,0,0,0|0,1,1]=4 37 B10R0.71 CCCCCCCCN=C=O D94691 [0,0,2,0,0,0|1,0,1]=4 38 B10R0.71 CCCCCCCCNC=O D91867 [0,0,2,0,0,0|1,0,0]=3 39 B10R0.71 CCCCCCC\C=C\C=O A11384 [0,0,2,0,0,0|0,0,2]=4 40 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [0,0,2,0,0,0|2,0,0]=4 41 B10R0.94 CC[C@@H](C(=O)O)N(CC)CC W18570 [0,0,2,0,0,0|2,0,0]=4 42 B12R2.5121 O=C1CCCC2(C1)OCCO2 P11851 [0,0,1,1,0,0|2,0,0]=4 43 B12R3.1615 C1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 D92560 [1,0,0,1,0,0|0,0,1]=3 44 B12R3.1615 C1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 D92336 [1,0,0,1,0,0|0,0,1]=3 45 B14R3.6769 O=C1NC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 36021 [0,1,0,1,0,0|1,0,1]=4 46 B14R3.6769 O=C1NC(=O)[C@H]2[C@@H]1[C@H]3CC[C@@H]2C3 70805 [0,1,0,1,0,0|1,0,1]=4 47 B14R3.6769 O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 C72636 [0,1,0,1,0,0|1,0,1]=4 48 B10R1.137 CCOC(=O)CC1CCC1 83274 [0,0,1,0,1,0|1,0,0]=3 49 B10R2.136 C1CCN(C2CNC2)C1 P11179 [1,0,0,0,1,0|2,0,0]=4 50 B12R1.32 CCCC(=O)OC1CCCCC1 D88681 [0,0,1,0,0,1|1,0,0]=3 51 B12R1.32 CCOC(=O)CC1CCNCC1 60917 [0,0,1,0,0,1|1,0,0]=3 52 B12R1.32 CCOC(=O)CC1CCNCC1 69550 [0,0,1,0,0,1|1,0,0]=3 53 B12R1.32 CCOC(=O)CC1CCOCC1 50745 [0,0,1,0,0,1|1,0,0]=3 54 B12R1.32 CCOC(=O)CN1CCCCC1 AC2282 [0,0,1,0,0,1|2,0,0]=4 55 B12R1.32 CCOC(=O)CN1CCNCC1 60925 [0,0,1,0,0,1|2,0,0]=4 56 B12R1.32 CCOC(=O)CN1CCOCC1 30940 [0,0,1,0,0,1|2,0,0]=4 57 B12R1.32 CCOC(=O)C[C@H]1CCCCN1 30366 [0,0,1,0,0,1|1,0,0]=3 58 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 37951 [0,0,1,0,0,1|1,0,0]=3 59 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 76587 [0,0,1,0,0,1|2,0,0]=4 60 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 F14486 [0,0,1,0,0,1|2,0,0]=4 61 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 39156 [0,0,1,0,0,1|2,0,0]=4 62 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 F31226 [0,0,1,0,0,1|2,0,0]=4 63 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [0,0,1,0,0,1|0,0,0]=2 64 B14R2.24 CN1CCCCC1C2CCCCN2 F14625 [0,0,0,0,0,2|2,0,0]=4 65 B14R2.24 O=C1CCCC[C@H]1C2CCCCC2 D83891 [0,0,0,0,0,2|0,0,0]=2 66 B14R2.24 OC1CCCCC1C2CCCCC2 D89257 [0,0,0,0,0,2|0,0,2]=4