0 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 SBB001639 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 SBB058876 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 SBB080047 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 SBB023426 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 SBB080364 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [1,0,0,0,0,0|1,1,1]=4 8 B15R1.741 COC(=O)CC(=O)COC1=CC=CC=C1 SBB303495 [0,1,0,0,0,0|2,0,0]=3 9 B15R1.741 COC(=O)CC(=O)CSC1=NC=CC=C1 SBB303497 [0,1,0,0,0,0|3,0,0]=4 10 B15R1.741 C[C@H](CO)NC(=O)OCC1=CC=CC=C1 SBB052121 [0,1,0,0,0,0|1,0,2]=4 11 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 SBB061998 [0,0,0,1,0,0|1,0,0]=2 12 B15R2.27 O=C1CC(=O)CC(C2=CC=CN=C2)C1 SBB055323 [0,0,0,1,0,0|2,0,0]=3 13 B15R2.27 O=C1CC(=O)CC(C2=CC=NC=C2)C1 SBB055322 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.27 O=C1CC(=O)CC(C2=NC=CC=C2)C1 SBB055324 [0,0,0,1,0,0|2,0,0]=3 15 B15R2.325 O=C1CN(CC2=CC=CC=C2)C(=O)N1 SBB115963 [0,0,0,1,0,0|2,0,0]=3 16 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 SBB089069 [0,0,0,0,1,0|2,0,0]=3 17 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,0,0,0,1,0|1,0,0]=2 18 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 SBB057962 [0,0,0,0,1,0|2,0,0]=3 19 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 SBB064265 [0,0,0,0,1,0|1,0,1]=3 20 B13R1.351 NC(=O)C(=O)NCC1=CN=CC=C1 SBB089537 [0,0,0,0,1,0|3,0,0]=4 21 B13R1.351 O=C(OCC1=CC=CC=C1)C(F)Cl SBB093007 [0,0,0,0,1,0|2,0,1]=4 22 B15R1.5919 CC(=O)NNC(=O)CCC1=CC=CC=C1 SBB113129 [0,0,0,0,0,1|2,0,0]=3 23 B15R1.5919 CC(=O)NNC(=S)NCC1=CC=CC=C1 SBB000627 [0,0,0,0,0,1|2,1,0]=4 24 B15R1.5919 NC(=O)CNC(=O)OCC1=CC=CC=C1 SBB058290 [0,0,0,0,0,1|1,0,0]=2 25 B15R1.5919 NC(=S)CNC(=O)OCC1=CC=CC=C1 SBB028152 [0,0,0,0,0,1|1,1,0]=3 26 B15R1.5919 O=C(O)CCC(=O)NCC1=CC=CC=C1 SBB005705 [0,0,0,0,0,1|2,0,0]=3 27 B15R1.5919 O=C(O)CCC(=O)NNC1=CC=CC=C1 SBB080089 [0,0,0,0,0,1|3,0,0]=4 28 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 SBB003458 [0,0,0,0,0,1|1,0,0]=2 29 B15R1.5919 O=C(O)\C=C/C(=O)NCC1=CC=CC=C1 SBB015213 [0,0,0,0,0,1|2,0,1]=4 30 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [2,0,0,0,0,0|0,0,2]=4 31 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SBB068279 [2,0,0,0,0,0|0,0,1]=3 32 B12R1.27 CCC(=O)NNC1=CC=CC=C1 SBB007827 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [2,0,0,0,0,0|0,0,0]=2 34 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.27 N#CC(=O)OCC1=CC=CC=C1 SBB057332 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SBB063031 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [2,0,0,0,0,0|0,1,0]=3 43 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 SBB003280 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 SBB057706 [1,1,0,0,0,0|0,0,2]=4 45 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 SBB064266 [1,1,0,0,0,0|0,0,2]=4 46 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O SBB071425 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.337 CC(=O)CC(=O)NC1=CC=CC=C1Cl SBB000518 [0,1,0,0,1,0|1,0,0]=3 48 B14R1.417 CC(=O)CC(=O)N(C)C1=CC=CC=C1 SBB058856 [0,1,0,0,1,0|1,0,0]=3 49 B14R1.425 CC(=O)C(Cl)C(=O)NC1=CC=CC=C1 SBB094543 [0,1,0,0,1,0|1,0,0]=3 50 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Br)C=C1 SBB023572 [0,1,0,0,1,0|1,0,0]=3 51 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C)C=C1 SBB077978 [0,1,0,0,1,0|1,0,0]=3 52 B14R1.698 CC(=O)CC(=O)NC1=CC=C(F)C=C1 SBB023573 [0,1,0,0,1,0|1,0,0]=3 53 B14R1.698 N(C(=O)CC(C)=O)C1=CC=C(Cl)C=C1 SBB003431 [0,1,0,0,1,0|1,0,0]=3 54 B14R1.1485 O=C(O)CS(=O)(=O)CC1=CC=CC=C1 SBB049900 [0,1,0,0,1,0|2,0,0]=4 55 B14R1.5978 CC(=O)CC(=O)NC1=CC(C)=CC=C1 SBB023566 [0,1,0,0,1,0|1,0,0]=3 56 B14R1.5978 CC(=O)CC(=O)NC1=CC=CC(Cl)=C1 SBB001685 [0,1,0,0,1,0|1,0,0]=3 57 B16R1.400 O=C(O)CCC(=O)NCC1=C(Cl)C=CC=C1 SBB080191 [0,1,0,0,0,1|2,0,0]=4 58 B16R1.1343 COC(=O)CNC(=O)OCC1=CC=CC=C1 SBB007667 [0,1,0,0,0,1|0,0,0]=2 59 B16R1.1343 NNC(=O)CCC(=O)NCC1=CC=CC=C1 SBB079925 [0,1,0,0,0,1|2,0,0]=4 60 B16R1.1343 O=C(CCl)NNC(=O)CCC1=CC=CC=C1 SBB080549 [0,1,0,0,0,1|2,0,0]=4 61 B16R1.4122 CC(NC(=O)OCC1=CC=CC=C1)C(=O)O SBB007661 [0,1,0,0,0,1|1,0,0]=3 62 B16R1.4122 C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)O SBB007662 [0,1,0,0,0,1|1,0,0]=3 63 B16R1.4122 N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O SBB063194 [0,1,0,0,0,1|1,0,0]=3 64 B16R1.4122 O=C(NC(O)C(=O)O)OCC1=CC=CC=C1 SBB063591 [0,1,0,0,0,1|1,0,0]=3 65 B16R1.6944 CN(CC(=O)O)C(=O)OCC1=CC=CC=C1 SBB065183 [0,1,0,0,0,1|1,0,0]=3 66 B16R1.6944 N[C@@H](CC(=O)O)C(=O)OCC1=CC=CC=C1 SBB064137 [0,1,0,0,0,1|1,0,0]=3 67 B16R1.7611 [C@H](C)(NC(=O)CCC(=O)O)C1=CC=CC=C1 SBB071409 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 SBB026855 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.598 CC1NC(=O)OC1C2=CC=CC=C2 SBB067625 [1,0,0,1,0,0|1,0,1]=4 70 B14R2.598 O=C1CC(=O)N(C2=CC=CC=C2)N1 SBB035840 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.598 O=C1NC(=O)C(C2=CC=CC=C2)N1 SBB055873 [1,0,0,1,0,0|2,0,0]=4 72 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SBB056163 [1,0,0,1,0,0|1,0,1]=4 73 B14R2.642 CC(=O)N1C(=O)OC2=C1C=CC=C2 SBB012375 [0,0,0,1,1,0|1,0,0]=3 74 B14R2.738 CC1=NC2=C(C=CC=C2)NC(=O)C1 SBB009494 [0,0,0,1,1,0|2,0,0]=4 75 B14R2.738 O=C1CC(=O)NC2=CC=CC=C2N1 SBB042852 [0,0,0,1,1,0|2,0,0]=4 76 B14R2.249 O=C1CC(=O)CC(C2=CC=CO2)C1 SBB001597 [0,0,0,1,1,0|2,0,0]=4 77 B14R2.249 O=C1CC(=O)CC(C2=CC=CS2)C1 SBB055325 [0,0,0,1,1,0|2,0,0]=4 78 B14R2.249 O=C1CC(=O)CC(C2=CSC=C2)C1 SBB055442 [0,0,0,1,1,0|2,0,0]=4 79 B16R2.2905 O=C1CC(C(=O)O)C(C2=CC=CC=C2)O1 SBB302135 [0,0,0,1,0,1|1,0,0]=3 80 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 SBB067604 [0,0,0,1,0,1|0,0,0]=2 81 B16R2.4050 O=C1N[C@H](C(=O)O)C1CC2=CC=CC=C2 SBB000445 [0,0,0,1,0,1|2,0,0]=4 82 B16R2.5963 O=C(O)C1C(=O)NCC1C2=CC=CC=C2 SBB049794 [0,0,0,1,0,1|2,0,0]=4 83 B16R2.95959 O=C1CC(=O)CC(C2=CC=CC=C2Cl)C1 SBB048412 [0,1,0,1,0,0|1,0,0]=3 84 B16R2.95959 O=C1CC(=O)CC(C2=CC=CC=C2F)C1 SBB054156 [0,1,0,1,0,0|1,0,0]=3 85 B16R2.79341 CC1=CC=C(C2CC(=O)CC(=O)C2)C=C1 SBB055327 [0,1,0,1,0,0|1,0,0]=3 86 B16R2.79341 NC1=CC=C(C2CC(=O)NC(=O)N2)C=C1 SBB113170 [0,1,0,1,0,0|2,0,0]=4 87 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(Br)C=C2)C1 SBB054230 [0,1,0,1,0,0|1,0,0]=3 88 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(Cl)C=C2)C1 SBB019307 [0,1,0,1,0,0|1,0,0]=3 89 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(F)C=C2)C1 SBB054232 [0,1,0,1,0,0|1,0,0]=3 90 B16R2.80704 O=C1CC(=O)CC(C2=CC(Br)=CC=C2)C1 SBB054180 [0,1,0,1,0,0|1,0,0]=3 91 B16R2.80704 O=C1CC(=O)CC(C2=CC(F)=CC=C2)C1 SBB054231 [0,1,0,1,0,0|1,0,0]=3 92 B16R2.80704 O=C1CC(=O)CC(C2=CC=CC(Cl)=C2)C1 SBB048425 [0,1,0,1,0,0|1,0,0]=3 93 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 SBB053602 [1,0,0,0,1,0|1,0,1]=4 94 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [1,0,0,0,1,0|1,0,1]=4 95 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [1,0,0,0,1,0|0,1,0]=3 96 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [1,0,0,0,1,0|1,0,1]=4 97 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [1,0,0,0,1,0|1,0,1]=4 98 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 SBB056716 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [1,0,0,0,1,0|1,0,1]=4 100 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [1,0,0,0,1,0|1,0,1]=4 101 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [1,0,0,0,1,0|1,0,0]=3 102 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [1,0,0,0,1,0|1,0,1]=4 103 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [1,0,0,0,1,0|1,0,0]=3 106 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [1,0,0,0,1,0|1,1,0]=4 107 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [1,0,0,0,1,0|1,0,1]=4 108 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [0,0,0,0,2,0|1,0,1]=4 109 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [0,0,0,0,2,0|1,0,0]=3 110 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,0,0,0,2,0|0,0,0]=2 111 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [0,0,0,0,2,0|1,0,1]=4 112 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [0,0,0,0,2,0|2,0,0]=4 113 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,0,0,0,2,0|1,0,0]=3 114 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 SBB057900 [0,0,0,0,2,0|2,0,0]=4 115 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 SBB032958 [0,0,0,0,2,0|2,0,0]=4 116 B16R1.608 O=C(O)CCNC(=O)OCC1=CC=CC=C1 SBB063956 [0,0,0,0,0,2|1,0,0]=3 117 B16R1.608 O=C(O)CSCC(=O)NCC1=CC=CC=C1 SBB035810 [0,0,0,0,0,2|2,0,0]=4 118 B16R1.18213 O=C(O)CCC(=O)NCCC1=CC=CC=C1 SBB077412 [0,0,0,0,0,2|2,0,0]=4 119 B16R1.18213 O=C(O)CCC(=O)OCCC1=CC=CC=C1 SBB079965 [0,0,0,0,0,2|1,0,0]=3 120 B16R1.6929 CC(=O)CC(=O)NCCCC1=CC=CC=C1 SBB079076 [0,0,0,0,0,2|1,0,0]=3