0 B12R2.10 N[C@H]1COC[C@@H]1N2CCCC2 W10010 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.2 C1CCN([C@H]2CCNC2)C1 P14155 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.181 O=C1CCCC1C2CCCC2=O D94263 [0,1,0,0,0,0|0,0,1]=2 3 B11R1.4 NCCCCCN1CCCC1 C73117 [0,0,1,0,0,0|2,0,1]=4 4 B11R1.30 CCOC(=O)C=C1CCCC1 95468 [0,0,1,0,0,0|1,0,2]=4 5 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,0,1,0,0,0|1,0,0]=2 6 B11R1.30 CCOC(=O)C[C@H]1CCNC1 P12138 [0,0,1,0,0,0|2,0,0]=3 7 B11R1.31 COC(=O)C(N)C1CCOC1 68411 [0,0,1,0,0,0|3,0,0]=4 8 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 64033 [0,0,1,0,0,0|2,0,0]=3 9 B11R1.298 CCN(C(C)=O)[C@H]1CCNC1 T70105 [0,0,1,0,0,0|2,0,0]=3 10 B11R1.298 NC[C@H](C(=O)O)C1CCCC1 51130 [0,0,1,0,0,0|2,0,0]=3 11 B11R2.459 O=C1CCCN1C2CNC2 CS2382 [0,0,0,0,1,0|2,0,0]=3 12 B13R2.15 NC1CCCC1N2CCOCC2 F13467 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.18 F[C@H]1CNCC[C@H]1N2CCCC2 W13688 [0,0,0,0,0,1|2,0,1]=4 14 B10R1.27 COC(=O)C[C@H]1CCCN1 27751 [1,0,1,0,0,0|2,0,0]=4 15 B10R1.27 COC(=O)C[C@H]1CCCN1 C74748 [1,0,1,0,0,0|2,0,0]=4 16 B10R1.27 COC(=O)C[C@H]1CCNC1 11209 [1,0,1,0,0,0|2,0,0]=4 17 B10R1.27 COC(=O)C[C@H]1CCNC1 11210 [1,0,1,0,0,0|2,0,0]=4 18 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 AT23194 [1,0,1,0,0,0|2,0,0]=4 19 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P15531 [1,0,1,0,0,0|2,0,0]=4 20 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P16284 [1,0,1,0,0,0|2,0,0]=4 21 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 30865 [1,0,1,0,0,0|2,0,0]=4 22 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 AC1163 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 AC7875 [0,1,1,0,0,0|2,0,0]=4 24 B12R1.31 CCOC(=O)C[C@H]1CCC(=O)C1 88862 [0,1,1,0,0,0|1,0,1]=4 25 B12R1.1395 CC(C)[C@@H](C(=O)O)N1CCCC1 AC6809 [0,1,1,0,0,0|2,0,0]=4 26 B14R2.598 O=C1C[C@H](O)CN1C2CCNCC2 62415 [0,1,0,0,0,1|1,0,0]=3 27 B10R0.24 CCCCC[C@@H](CO)CCC 77487 [0,0,2,0,0,0|0,0,2]=4 28 B10R0.1 CCCC(=O)OCCCSC 73858 [0,0,2,0,0,0|2,0,0]=4 29 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,0,2,0,0,0|2,0,0]=4 30 B12R2.7 O=C1CCCCC12CCCC2 D86916 [0,0,1,1,0,0|0,0,0]=2 31 B12R2.1479 CCOC(=O)C1C2CNCC21 68948 [0,0,1,1,0,0|2,0,0]=4 32 B12R2.1479 CCOC(=O)C1[C@H]2CNC[C@@H]12 P20480 [0,0,1,1,0,0|2,0,0]=4 33 B12R2.1479 CCOC(=O)[C@@H]1[C@H]2COC[C@H]21 P14315 [0,0,1,1,0,0|2,0,0]=4 34 B12R2.5121 O=C1CCOC2(CCCC2)C1 87243 [0,0,1,1,0,0|1,0,0]=3 35 B12R2.1596 COC(=O)C1CC2CC1CN2 D79700 [0,0,1,1,0,0|2,0,0]=4 36 B12R2.1596 COC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 D79376 [0,0,1,1,0,0|2,0,0]=4 37 B12R2.8 O=C1CCCC12CCNCC2 W14107 [0,0,1,1,0,0|1,0,0]=3 38 B12R2.8 O=C1NCCC12CCCCC2 C10748 [0,0,1,1,0,0|1,0,0]=3 39 B12R2.8 O=C1NCCC12CCNCC2 26546 [0,0,1,1,0,0|2,0,0]=4 40 B12R2.8 O=C1NCC[C@@]12CCCNC2 36042 [0,0,1,1,0,0|2,0,0]=4 41 B12R2.8 O=C1OCCC12CCNCC2 F52500 [0,0,1,1,0,0|2,0,0]=4 42 B12R2.1362 O=C(O)[C@H]1NC[C@@H]2CCC[C@H]12 C71701 [0,0,1,1,0,0|2,0,0]=4 43 B10R1.137 CCOC(=O)CC1CNC1 D80644 [0,0,1,0,1,0|2,0,0]=4 44 B10R1.137 CCOC(=O)CC1COC1 82536 [0,0,1,0,1,0|2,0,0]=4 45 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67401 [0,0,1,0,1,0|2,0,0]=4 46 B10R1.182 COC(=O)[C@@H](N)C1CCC1 67408 [0,0,1,0,1,0|2,0,0]=4 47 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53592 [0,0,1,0,1,0|2,0,0]=4 48 B10R1.182 COC(=O)[C@@H](N)C1CCC1 F53678 [0,0,1,0,1,0|2,0,0]=4 49 B10R1.219 CC(=O)[C@@H](C#N)C1CCC1 55424 [0,0,1,0,1,0|1,0,1]=4 50 B12R1.32 CCOC(=O)CC1CCSCC1 D83795 [0,0,1,0,0,1|1,0,0]=3 51 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61904 [0,0,1,0,0,1|1,0,0]=3 52 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61925 [0,0,1,0,0,1|1,0,0]=3 53 B12R1.32 CCOC(=O)C[C@H]1CNCCO1 AB1438 [0,0,1,0,0,1|2,0,0]=4 54 B12R1.15 COC(=O)CN(C)C1CCCC1 20932 [0,0,1,0,0,1|2,0,0]=4 55 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 F50286 [0,0,1,0,0,1|2,0,0]=4 56 B12R1.478 CC[C@@H](C(=O)O)N1CCOCC1 C76870 [0,0,1,0,0,1|2,0,0]=4 57 B12R1.478 CO[C@H](C(=O)O)C1CCOCC1 P18862 [0,0,1,0,0,1|2,0,0]=4 58 B14R2.24 O=C1CCCCN1C2CCNCC2 53910 [0,0,0,0,0,2|1,0,0]=3 59 B14R2.24 O=C1CNCCN1C2CCOCC2 CS2370 [0,0,0,0,0,2|1,0,0]=3 60 B14R2.30 CN1CCC[C@@H]1CC2CCCCN2 T72988 [0,0,0,0,0,2|2,0,0]=4