0 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 SBB064265 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.351 O=C(OCC1=CC=CC=C1)C(F)Cl SBB093007 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SBB068279 [1,0,0,0,0,0|0,0,2]=3 3 B12R1.27 CCC(=O)NNC1=CC=CC=C1 SBB007827 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.27 CNC(=S)NCC1=CC=CC=C1 SBB017711 [1,0,0,0,0,0|2,1,0]=4 6 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.27 N#CC(=O)OCC1=CC=CC=C1 SBB057332 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [1,0,0,0,0,0|1,0,0]=2 12 B12R1.27 NNC(=O)CCC1=CC=CC=C1 SBB000151 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SBB063031 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [1,0,0,0,0,0|2,0,1]=4 21 B14R1.161 CN(C)C(=O)CCC1=C(N)C=CC=C1 SBB080440 [0,1,0,0,0,0|2,0,0]=3 22 B14R1.679 CN(C)C(=O)CCC1=CC=C(N)C=C1 SBB080403 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 SBB064266 [0,1,0,0,0,0|1,0,0]=2 24 B14R1.3099 N=C(OCC1=CC=CC=C1)C(Cl)(Cl)Cl SBB057993 [0,1,0,0,0,0|3,0,0]=4 25 B14R1.5956 CN(C)C(=O)CCC1=CC=CC(N)=C1 SBB080401 [0,1,0,0,0,0|2,0,0]=3 26 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O SBB001600 [0,0,0,1,0,0|2,0,0]=3 27 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 SBB007801 [0,0,0,1,0,0|2,0,1]=4 28 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 SBB058215 [0,0,0,0,1,0|2,0,0]=3 29 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [0,0,0,0,1,0|2,0,1]=4 30 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 SBB001639 [0,0,0,0,0,1|2,0,1]=4 31 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 SBB058876 [0,0,0,0,0,1|1,0,1]=3 32 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 SBB080047 [0,0,0,0,0,1|1,0,0]=2 33 B14R1.6449 CC(Br)C(=O)NCCC1=CC=CC=C1 SBB301292 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [2,0,0,0,0,0|1,0,1]=4 35 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [2,0,0,0,0,0|1,0,1]=4 36 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [2,0,0,0,0,0|0,0,1]=3 37 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [2,0,0,0,0,0|0,0,0]=2 44 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [2,0,0,0,0,0|2,0,0]=4 52 B13R1.11 CC(NC(=O)CBr)C1=CC=CC=C1 SBB050427 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 SBB010968 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.14 CC1=CC=C(CNC(=O)CCl)C=C1 SBB037890 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 SBB080480 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 SBB014252 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 SBB071434 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.14 O=C(CCl)NCC1=CC=C(Cl)C=C1 SBB037902 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.14 O=C(CCl)NCC1=CC=C(F)C=C1 SBB027668 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 SBB079913 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 SBB023426 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 SBB028101 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 SBB080459 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.528 O=C(CCl)NCC1=C(Cl)C=CC=C1 SBB037897 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.528 O=C(CCl)NCC1=CC=CC=C1F SBB046882 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 SBB089573 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.718 NCC(O)COCC1=CC=CC=C1 SBB010672 [1,1,0,0,0,0|1,0,1]=4 72 B13R1.718 OC(CCl)COCC1=CC=CC=C1 SBB056727 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.718 OCC(O)COCC1=CC=CC=C1 SBB058667 [1,1,0,0,0,0|1,0,1]=4 74 B13R1.133 CC(C)C(=O)NC1=CC=C(N)C=C1 SBB080085 [0,1,0,0,1,0|1,0,0]=3 75 B13R1.133 CC(Cl)C(=O)NC1=CC=C(Cl)C=C1 SBB039638 [0,1,0,0,1,0|2,0,0]=4 76 B13R1.133 CN(C)C(=O)CC1=CC=C(N)C=C1 SBB080429 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.148 CC(C)C(=O)NC1=CC=CC(N)=C1 SBB080087 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.148 CC1=CC(NC(=O)C(C)Cl)=CC=C1 SBB046844 [0,1,0,0,1,0|2,0,0]=4 79 B13R1.202 CC1=C(NC(=O)C(C)Br)C=CC=C1 SBB048699 [0,1,0,0,1,0|2,0,0]=4 80 B13R1.353 CC(C)(C)C(=O)NC1=CC=CC=C1 SBB007803 [0,1,0,0,1,0|1,0,0]=3 81 B13R1.353 CC(C)(C)C(=O)NC1=CC=CC=N1 SBB089448 [0,1,0,0,1,0|2,0,0]=4 82 B13R1.353 CC(C)(C)C(=O)NC1=CC=NC=C1 SBB051812 [0,1,0,0,1,0|2,0,0]=4 83 B13R1.353 O=C(CC1=CC=CC=C1)C(F)(F)F SBB090720 [0,1,0,0,1,0|2,0,0]=4 84 B13R1.353 O=C(OC1=CC=CC=C1)C(F)(F)F SBB091056 [0,1,0,0,1,0|2,0,0]=4 85 B15R1.741 C[C@H](CO)NC(=O)OCC1=CC=CC=C1 SBB052121 [0,1,0,0,0,1|0,0,0]=2 86 B15R1.9095 CC(C)(C)C(=O)NCCC1=CC=CC=C1 SBB061906 [0,1,0,0,0,1|1,0,0]=3 87 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 SBB051629 [1,0,0,1,0,0|1,0,1]=4 88 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 SBB000141 [1,0,0,1,0,0|2,0,0]=4 89 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 SBB068903 [1,0,0,1,0,0|1,0,1]=4 90 B13R2.10 O=C1CSC(C2=CC=CC=C2)N1 SBB076217 [1,0,0,1,0,0|2,0,0]=4 91 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 SBB010434 [1,0,0,1,0,0|1,0,1]=4 92 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 SBB060420 [1,0,0,1,0,0|1,0,1]=4 93 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=C2 SBB082470 [0,0,0,1,1,0|1,0,0]=3 94 B13R2.359 CC1=NC2=C(C=CC=C2)C1(C)C SBB042434 [0,0,0,1,1,0|2,0,0]=4 95 B13R2.369 CC1NC2=CC=CC=C2NC1=O SBB056026 [0,0,0,1,1,0|2,0,0]=4 96 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O SBB057720 [0,0,0,1,1,0|2,0,0]=4 97 B13R2.369 NC1CC2=CC=CC=C2NC1=O SBB050350 [0,0,0,1,1,0|2,0,0]=4 98 B13R2.435 CC(C)C1=NC2=CC=CC=C2N1 SBB044962 [0,0,0,1,1,0|2,0,0]=4 99 B13R2.435 CC(N)C1=CC2=CC=CC=C2O1 SBB014375 [0,0,0,1,1,0|2,0,0]=4 100 B15R2.13159 N1C(=O)C(C)(C)CN1C2=CC=CC=C2 SBB003657 [0,1,0,1,0,0|2,0,0]=4 101 B15R2.321 CC1C(C2=CC=CC=C2)NC(=O)N1C SBB057603 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.25 CCC(=O)SCC1=CC=CO1 SBB058322 [1,0,0,0,1,0|1,1,0]=4 103 B11R1.25 CCC(=S)OCC1=CC=CO1 SBB067099 [1,0,0,0,1,0|1,1,0]=4 104 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [1,0,0,0,1,0|0,0,0]=2 105 B11R1.40 CNC(=O)NC1=CC=CC=C1 SBB008334 [1,0,0,0,1,0|2,0,0]=4 106 B11R1.40 NCC(=O)NC1=CC=CC=C1 SBB004992 [1,0,0,0,1,0|2,0,0]=4 107 B11R1.40 NNC(=O)CC1=CC=CC=C1 SBB046750 [1,0,0,0,1,0|2,0,0]=4 108 B11R1.40 O=C(CBr)NC1=CC=CC=C1 SBB051003 [1,0,0,0,1,0|2,0,0]=4 109 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [1,0,0,0,1,0|2,0,0]=4 110 B11R1.40 O=C(CCl)NC1=CC=CC=C1 SBB030441 [1,0,0,0,1,0|2,0,0]=4 111 B11R1.40 O=C(CCl)OC1=CC=CC=C1 SBB060340 [1,0,0,0,1,0|1,0,0]=3 112 B11R1.40 O=C(CS)NC1=CC=CC=C1 SBB008339 [1,0,0,0,1,0|2,0,0]=4 113 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [0,0,0,0,2,0|1,0,1]=4 114 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 SBB058576 [0,0,0,0,2,0|1,0,0]=3 115 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SBB058219 [0,0,0,0,2,0|1,0,0]=3 116 B11R1.36 O=C(C1=CC=CC=C1)C(F)F SBB087123 [0,0,0,0,2,0|2,0,0]=4