0 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [0,0,0,0,0,0|1,0,3]=4 3 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,0,0,0,0,0|1,1,2]=4 15 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,0,0,0,0,0|1,1,2]=4 16 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,0,0,0,0,0|1,1,2]=4 17 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,0,0,0,0,0|1,1,2]=4 22 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,0,0,0,0,0|1,1,2]=4 23 B8R1.2 O=CC1=CCCOC1 D43308 [1,0,0,0,0,0|1,1,1]=4 24 B8R1.2 O=CC1=COCCC1 D43307 [1,0,0,0,0,0|1,1,0]=3 25 B10R1.15 COC(=O)C1=CCCCC1 M47018 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.15 COC(=O)C1=CCOCC1 D4955 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.15 COC(=O)C1=CNCCC1 M29675 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.15 COC(=O)C1=COCCC1 M43727 [0,1,0,0,0,0|1,1,0]=3 29 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [0,1,0,0,0,0|1,0,2]=4 30 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [0,1,0,0,0,0|1,0,2]=4 31 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.15 COC(=O)[C@@H]1CNCCN1 M43559 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.15 COC(=O)[C@@H]1COCCN1 M13411 [0,1,0,0,0,0|0,1,2]=4 34 B10R1.15 COC(=O)[C@@H]1COCCN1 M18297 [0,1,0,0,0,0|0,1,2]=4 35 B10R1.15 COC(=O)[C@@H]1COCCN1 M19898 [0,1,0,0,0,0|0,1,2]=4 36 B10R1.15 COC(=O)[C@@H]1COCCN1 M41516 [0,1,0,0,0,0|0,1,2]=4 37 B10R1.15 COC(=O)[C@H]1CNCCN1 P15343 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.15 COC(=O)[C@H]1COCCN1 M13412 [0,1,0,0,0,0|0,1,2]=4 39 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,1,0|0,0,2]=3 40 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,1,0|1,0,2]=4 41 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,0,0,0,1,0|1,0,1]=3 42 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,0,1,0|2,0,1]=4 43 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,1,0|1,0,2]=4 44 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,0,1,0|1,0,2]=4 45 B8R1.7 CC(=O)C1=CNN=C1 P22638 [0,0,0,0,1,0|2,0,1]=4 46 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,1,0|0,0,2]=3 47 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,0,1,0|0,0,2]=3 48 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,0,1,0|1,0,2]=4 49 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,0,1,0|0,0,3]=4 50 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,0,1,0|1,0,2]=4 51 B8R1.7 CC(=O)C1CCCC1 C69351 [0,0,0,0,1,0|1,0,2]=4 52 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,0,0,0,1,0|0,0,1]=2 53 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,0,0,0,1,0|1,0,2]=4 54 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,0,0,0,1,0|1,0,2]=4 55 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,0,0,0,1,0|1,0,2]=4 56 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,0,0,0,1,0|1,0,2]=4 57 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,0,1,0|1,0,2]=4 58 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,0,0,0,1,0|2,0,0]=3 59 B8R1.7 O=C(O)C1=COCC1 D8190 [0,0,0,0,1,0|1,1,0]=3 60 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,0,0,0,1,0|1,0,2]=4 61 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,0,0,0,1,0|1,0,2]=4 62 B8R1.7 O=C(O)C1=CSN=C1 T40062 [0,0,0,0,1,0|2,0,1]=4 63 B8R1.7 O=C(O)C1=CSN=N1 T61264 [0,0,0,0,1,0|2,0,1]=4 64 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,0,0,0,1,0|1,0,2]=4 65 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,0,0,0,1,0|1,0,2]=4 66 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,0,0,0,1,0|1,0,2]=4 67 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,0,0,0,1,0|2,0,1]=4 68 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,0,0,0,1,0|1,0,2]=4 69 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,1,0,0,0|2,0,0]=4 70 B7R0.4 CCOC=CC(=O)O E41226 [1,0,1,0,0,0|1,1,0]=4 71 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,1,0,0,0|2,0,0]=4 72 B7R0.5 CCOC(=O)C(C)=O E60800 [1,0,1,0,0,0|1,1,0]=4 73 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,1,0,0,0|2,0,0]=4 74 B7R1.3 O=C1C=CCCN1 D67780 [2,0,0,0,0,0|1,0,0]=3 75 B7R1.3 O=C1CCCCN1 P69632 [2,0,0,0,0,0|1,0,1]=4 76 B7R1.3 O=C1CCCSC1 T1776 [2,0,0,0,0,0|1,0,1]=4 77 B7R1.3 O=C1CNCCN1 P10419 [2,0,0,0,0,0|1,0,1]=4 78 B7R1.3 O=C1COCCN1 M7700 [2,0,0,0,0,0|0,1,1]=4 79 B7R1.3 O=C1CSCCN1 T40230 [2,0,0,0,0,0|0,0,1]=3 80 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,1,1,0,0,0|0,1,1]=4 81 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,1,0,0,1,0|0,0,2]=4 83 B9R1.11 COC(=O)C1=CC=CN1 M11015 [0,1,0,0,1,0|0,0,2]=4 84 B9R1.11 COC(=O)C1=CC=NN1 M12748 [0,1,0,0,1,0|1,0,1]=4 85 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,0,1,0|1,0,0]=3 86 B9R1.11 COC(=O)C1=CN=CN1 M14078 [0,1,0,0,1,0|1,0,1]=4 87 B9R1.11 COC(=O)C1=CN=CN1 M41348 [0,1,0,0,1,0|1,0,1]=4 88 B9R1.11 COC(=O)C1=CSC=C1 M12826 [0,1,0,0,1,0|0,0,2]=4 89 B9R1.11 COC(=O)C1=CSC=N1 M2932 [0,1,0,0,1,0|0,0,2]=4 90 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,1,0,0,1,0|0,0,2]=4 91 B9R1.35 CC(=O)C1=CC(N)=NN1 A11043 [0,1,0,0,1,0|1,0,1]=4 92 B9R1.35 CC(=O)C1=CSC(Cl)=C1 A1568 [0,1,0,0,1,0|0,0,2]=4 93 B9R1.35 CC(=O)C1=CSC(N)=N1 A41051 [0,1,0,0,1,0|0,0,2]=4 94 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,0,1,0|0,0,2]=4 95 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,1,0,0,1,0|1,0,1]=4 96 B9R1.41 CC(=O)N1CCNC1=O A41200 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,1,0,0,1,0|0,1,1]=4 98 B11R1.23 COC(=O)C1=CC(=O)CCC1 M46843 [0,2,0,0,0,0|2,0,0]=4 99 B9R1.23 CCN1C=C(N)C(C)=N1 A15545 [0,0,1,1,0,0|2,0,0]=4 100 B9R1.23 CCN1C=C(N)C(C)=N1 E61343 [0,0,1,1,0,0|2,0,0]=4 101 B11R2.678 O=C1CC2CSCC(C1)N2 T10973 [0,0,0,1,0,1|0,0,2]=4 102 B11R2.678 O=C1CC2CSCC(C1)N2 T20247 [0,0,0,1,0,1|0,0,2]=4 103 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,1,0|0,0,2]=4 104 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,0,1,0|1,0,0]=3 105 B7R1.1 O=CC1=CSC=C1 T12697 [1,0,0,0,1,0|0,0,2]=4 106 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,0,1,0|0,0,2]=4 107 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,0,0,2,0|0,0,2]=4 108 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,0,2,0|1,0,1]=4 109 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,0,2,0|1,0,1]=4 110 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,0,2,0|1,0,1]=4 111 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,0,2,0|1,0,1]=4