0 B11R2.2 C1CCN([C@@H]2CCNC2)C1 B26431 [1,0,0,0,0,0|2,0,1]=4 1 B11R2.2 C1CCN([C@H]2CCNC2)C1 B49678 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.4 NCCCCCN1CCCC1 P52261 [0,0,1,0,0,0|2,0,1]=4 3 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [0,0,1,0,0,0|2,0,0]=3 4 B11R1.30 CCOC(=O)C[C@H]1CCNC1 E15030 [0,0,1,0,0,0|2,0,0]=3 5 B11R1.31 COC(=O)C(N)C1CCOC1 M17633 [0,0,1,0,0,0|3,0,0]=4 6 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 M49573 [0,0,1,0,0,0|2,0,0]=3 7 B13R3.102 OC1CC2CC1C3CCCC23 X53206 [0,0,0,1,0,0|0,0,2]=3 8 B13R3.102 O[C@H]1C[C@H]2C[C@@H]1[C@@H]3CCCC23 X65215 [0,0,0,1,0,0|0,0,2]=3 9 B11R2.459 O=C1CCCN1C2CNC2 A6322 [0,0,0,0,1,0|2,0,0]=3 10 B13R2.15 O=C1CCCN1C2CCNCC2 P52198 [0,0,0,0,0,1|1,0,0]=2 11 B10R1.27 COC(=O)C[C@@H]1CCCN1 M46490 [1,0,1,0,0,0|2,0,0]=4 12 B10R1.27 COC(=O)C[C@H]1CCCN1 M46489 [1,0,1,0,0,0|2,0,0]=4 13 B10R1.27 O=C(CCl)NC1CCCC1 C64668 [1,0,1,0,0,0|2,0,0]=4 14 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 A13070 [1,0,1,0,0,0|2,0,0]=4 15 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 M27099 [1,0,1,0,0,0|2,0,0]=4 16 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 A13071 [1,0,1,0,0,0|2,0,0]=4 17 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 M31027 [1,0,1,0,0,0|2,0,0]=4 18 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 N13069 [1,0,1,0,0,0|2,0,0]=4 19 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 A43846 [1,0,1,0,0,0|2,0,0]=4 20 B10R1.23 N[C@H](C(=O)O)C1CCCC1 A43844 [1,0,1,0,0,0|2,0,0]=4 21 B10R1.23 N[C@H](C(=O)O)C1CCCC1 A68051 [1,0,1,0,0,0|2,0,0]=4 22 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 B24122 [1,0,1,0,0,0|2,0,0]=4 23 B10R1.29 CCCCN1CCCC1=O B68886 [1,0,1,0,0,0|1,0,0]=3 24 B12R1.55 CCOC(=O)C(N)C1CCOC1 E14724 [0,1,1,0,0,0|2,0,0]=4 25 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O E50438 [0,1,1,0,0,0|1,0,1]=4 26 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,0,2,0,0,0|2,0,0]=4 27 B10R0.1 CCOC(=O)CCCCCO E47160 [0,0,2,0,0,0|2,0,0]=4 28 B10R0.71 C=CCCCCCCCCBr B53284 [0,0,2,0,0,0|2,0,0]=4 29 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,0,2,0,0,0|2,0,0]=4 30 B12R2.7 O=C1NCCC[C@@]12CCCN2 D69824 [0,0,1,1,0,0|2,0,0]=4 31 B12R2.229 O=C1CCNC[C@@H]2CCCN12 X13267 [0,0,1,1,0,0|2,0,0]=4 32 B12R2.1423 O=C(N[C@@H]1CCNC1)C2CC2 P67126 [0,0,1,1,0,0|2,0,0]=4 33 B12R2.1479 CCOC(=O)C1C2CNCC21 E49552 [0,0,1,1,0,0|2,0,0]=4 34 B12R2.1479 CCOC(=O)C1C2COCC21 E47026 [0,0,1,1,0,0|2,0,0]=4 35 B12R2.1479 CCOC(=O)[C@@H]1[C@H]2COC[C@H]21 E13625 [0,0,1,1,0,0|2,0,0]=4 36 B12R2.1479 CCOC(=O)[C@H]1[C@H]2COC[C@H]21 E18958 [0,0,1,1,0,0|2,0,0]=4 37 B12R2.5121 O=C1CCCC2(C1)OCCO2 D13531 [0,0,1,1,0,0|2,0,0]=4 38 B12R2.1596 COC(=O)[C@@H]1C[C@@H]2CC[C@H]1N2 M27113 [0,0,1,1,0,0|2,0,0]=4 39 B12R2.8 O=C1NCCC12CCCCC2 A50465 [0,0,1,1,0,0|1,0,0]=3 40 B12R2.8 O=C1NCCC12CCNCC2 D31553 [0,0,1,1,0,0|2,0,0]=4 41 B12R2.8 O=C1NCC[C@@]12CCCNC2 D17070 [0,0,1,1,0,0|2,0,0]=4 42 B12R2.8 O=C1OCCC12CCNCC2 X49550 [0,0,1,1,0,0|2,0,0]=4 43 B12R2.8 O=C1OCCC12CCNCC2 X64274 [0,0,1,1,0,0|2,0,0]=4 44 B12R2.96 O=C1CCCC12CCCC2=O S60246 [0,0,1,1,0,0|1,0,1]=4 45 B12R2.1362 O=C(O)[C@H]1NC[C@@H]2CCC[C@H]12 X49553 [0,0,1,1,0,0|2,0,0]=4 46 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 A14818 [0,0,1,1,0,0|2,0,0]=4 47 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 A27654 [0,0,1,1,0,0|2,0,0]=4 48 B14R3.6769 O=C1NC(=O)[C@H]2C1[C@@H]3CC[C@H]2C3 H67567 [0,1,0,1,0,0|1,0,1]=4 49 B14R3.6769 O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 H49935 [0,1,0,1,0,0|1,0,1]=4 50 B10R2.136 C1CCN(C2CNC2)C1 A27034 [1,0,0,0,1,0|2,0,0]=4 51 B10R2.136 C1C[C@H](C2COC2)CN1 O8594 [1,0,0,0,1,0|2,0,0]=4 52 B12R1.32 CCOC(=O)CC1CCNCC1 E0928 [0,0,1,0,0,1|1,0,0]=3 53 B12R1.32 CCOC(=O)CC1CCNCC1 E24428 [0,0,1,0,0,1|1,0,0]=3 54 B12R1.32 CCOC(=O)CC1CCOCC1 E8052 [0,0,1,0,0,1|1,0,0]=3 55 B12R1.32 CCOC(=O)CN1CCOCC1 E47127 [0,0,1,0,0,1|2,0,0]=4 56 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 E10869 [0,0,1,0,0,1|1,0,0]=3 57 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 M66442 [0,0,1,0,0,1|2,0,0]=4 58 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 M0708 [0,0,1,0,0,1|2,0,0]=4 59 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 M49575 [0,0,1,0,0,1|2,0,0]=4 60 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 M52203 [0,0,1,0,0,1|2,0,0]=4 61 B12R1.478 CC[C@@H](C(=O)O)N1CCOCC1 M47126 [0,0,1,0,0,1|2,0,0]=4