0 B18R2.7189 O=C(CCCC1=CC=CC=C1)C2=CC=CC=C2 SBB005766 [0,0,0,0,0,0|1,0,0]=1 1 B18R2.7189 O=C(N\N=C\C1=CC=CC=C1)C2=CC=CC=C2 SBB006198 [0,0,0,0,0,0|2,0,1]=3 2 B18R2.7189 O=C(N\N=C\C1=CC=CN=C1)C2=CC=CC=C2 SBB000652 [0,0,0,0,0,0|3,0,1]=4 3 B18R2.7189 O=C(N\N=C\C1=CC=NC=C1)C2=CC=CC=C2 SBB006161 [0,0,0,0,0,0|3,0,1]=4 4 B18R2.7189 O=C(\C=C\NC1=CC=CC=C1)C2=CC=CC=C2 SBB080796 [0,0,0,0,0,0|2,0,1]=3 5 B17R2.2382 C1=CC=C(CCNCC2=CC=CC=C2)C=C1 SBB000516 [1,0,0,0,0,0|1,0,1]=3 6 B17R2.2382 C1=CC=C(CCNCC2=CC=CC=N2)C=C1 SBB007228 [1,0,0,0,0,0|2,0,1]=4 7 B17R2.2382 C1=CC=C(CCNCC2=CC=CN=C2)C=C1 SBB007263 [1,0,0,0,0,0|2,0,1]=4 8 B17R2.2382 C1=CC=C(CNCCC2=NC=CC=C2)C=C1 SBB016580 [1,0,0,0,0,0|2,0,1]=4 9 B17R2.2382 C1=CC=C(CSSCC2=CC=CC=C2)C=C1 SBB058123 [1,0,0,0,0,0|1,1,1]=4 10 B17R2.2382 C1=CC=C(SCCSC2=CC=CC=C2)C=C1 SBB040938 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.2382 C1=CC=C(\C=N\N=C\C2=CC=CC=C2)C=C1 SBB058879 [1,0,0,0,0,0|2,0,1]=4 12 B17R2.2382 N(CCNC1=CC=CC=C1)C2=CC=CC=C2 SBB003424 [1,0,0,0,0,0|3,0,0]=4 13 B19R2.4201 NC1=CC=C(C(=O)NCCC2=CC=CC=C2)C=C1 SBB072575 [0,1,0,0,0,0|1,0,0]=2 14 B19R2.4201 O=C(OCCC1=CC=CC=C1)C2=CC=C(O)C=C2 SBB080167 [0,1,0,0,0,0|0,0,0]=1 15 B19R2.4394 O=C(OCCC1=CC=CC=C1)C2=CC(O)=CC=C2 SBB080174 [0,1,0,0,0,0|0,0,0]=1 16 B19R2.4481 O=C(N\N=C\C1=CC=CC=C1Cl)C2=CC=CC=C2 SBB006097 [0,1,0,0,0,0|2,0,1]=4 17 B19R2.4481 O=C(N\N=C\C1=CC=CC=C1O)C2=CC=CC=C2 SBB000796 [0,1,0,0,0,0|2,0,1]=4 18 B19R2.5666 NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2 SBB013873 [0,1,0,0,0,0|1,0,0]=2 19 B19R2.5666 O=C(NCCC1=CC=CC=C1)C2=C(O)C=CC=C2 SBB005392 [0,1,0,0,0,0|1,0,0]=2 20 B19R2.5666 O=C(OCCC1=CC=CC=C1)C2=CC=CC=C2O SBB080176 [0,1,0,0,0,0|0,0,0]=1 21 B19R2.8898 O=C(CCC(=O)C1=CC=CC=C1)C2=CC=CC=C2 SBB008126 [0,1,0,0,0,0|1,0,1]=3 22 B19R2.8898 O=C(NNC(=O)C1=CC=CC=C1)C2=CC=CC=C2 SBB069503 [0,1,0,0,0,0|2,0,1]=4 23 B19R2.8898 O=C(\C=C\C(=O)C1=CC=CC=C1)C2=CC=CC=C2 SBB007664 [0,1,0,0,0,0|1,0,2]=4 24 B19R2.8929 O=C(CC(=O)C1=CC=CC=C1)NC2=CC=CC=C2 SBB038527 [0,1,0,0,0,0|2,0,1]=4 25 B19R2.8929 O=C(NC(=S)NC1=CC=CC=C1)C2=CC=CC=C2 SBB017834 [0,1,0,0,0,0|2,0,1]=4 26 B19R2.11850 CC1=CC=C(\C=N\NC(=O)C2=CC=CC=C2)C=C1 SBB006102 [0,1,0,0,0,0|2,0,1]=4 27 B19R2.11850 O=C(N\N=C\C1=CC=C(Br)C=C1)C2=CC=CC=C2 SBB006063 [0,1,0,0,0,0|2,0,1]=4 28 B19R2.11850 O=C(N\N=C\C1=CC=C(Cl)C=C1)C2=CC=CC=C2 SBB006096 [0,1,0,0,0,0|2,0,1]=4 29 B19R2.11850 O=C(N\N=C\C1=CC=C(F)C=C1)C2=CC=CC=C2 SBB006062 [0,1,0,0,0,0|2,0,1]=4 30 B19R2.11850 O=C(N\N=C\C1=CC=C(O)C=C1)C2=CC=CC=C2 SBB006192 [0,1,0,0,0,0|2,0,1]=4 31 B19R3.2487 O=C(C1=CC=CC=C1)C2=CNC3=C2C=CC=C3 SBB069257 [0,0,0,1,0,0|2,0,1]=4 32 B19R3.9008 O=C1CCC(C2=CC=CC=C2)C3=C1C=CC=C3 SBB014436 [0,0,0,1,0,0|1,0,0]=2 33 B19R3.9008 O=C1NN=C(C2=CC=CC=C2)C3=C1C=CC=C3 SBB038605 [0,0,0,1,0,0|2,0,1]=4 34 B19R3.17443 O=C1O\C(=C/C2=CC=CC=C2)C3=C1C=CC=C3 SBB069530 [0,0,0,1,0,0|0,0,2]=3 35 B19R3.17443 OC1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3 SBB059647 [0,0,0,1,0,0|2,0,1]=4 36 B17R2.2342 C\C(=N/NC1=CC=CC=C1)C2=CC=CC=C2 SBB036036 [0,0,0,0,1,0|3,0,0]=4 37 B17R2.2342 Cl\C(=N/NC1=CC=CC=C1)C2=CC=CC=C2 SBB055064 [0,0,0,0,1,0|3,0,0]=4 38 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 SBB061810 [0,0,0,0,1,0|1,0,0]=2 39 B17R2.2342 O=C(NNC1=CC=CC=C1)C2=CC=CC=C2 SBB055065 [0,0,0,0,1,0|2,0,0]=3 40 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2 SBB058609 [0,0,0,0,1,0|0,0,0]=1 41 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CN=CC=C2 SBB058611 [0,0,0,0,1,0|1,0,0]=2 42 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 SBB058654 [0,0,0,0,1,0|0,0,2]=3 43 B19R2.8900 O=C(CC1=CC=CC=C1)NCCC2=CC=CC=C2 SBB007814 [0,0,0,0,0,1|1,0,0]=2 44 B18R2.270 FC1=CC=C(CNCCC2=CC=CC=C2)C=C1 SBB001907 [1,1,0,0,0,0|1,0,1]=4 45 B18R2.270 NC1=CC=C(OCCCC2=CC=CC=C2)C=C1 SBB080156 [1,1,0,0,0,0|2,0,0]=4 46 B18R2.3984 NC1=CC=CC=C1OCCCC2=CC=CC=C2 SBB080158 [1,1,0,0,0,0|2,0,0]=4 47 B18R2.6483 NC1=CC=CC(OCCCC2=CC=CC=C2)=C1 SBB080159 [1,1,0,0,0,0|2,0,0]=4 48 B18R2.253 CC1=CC=C(C(=O)\C=C\C2=CC=CC=C2)C=C1 SBB055400 [0,1,0,0,1,0|0,0,2]=4 49 B18R2.253 NC1=CC=C(C(=O)NCC2=CC=CC=C2)C=C1 SBB072657 [0,1,0,0,1,0|1,0,0]=3 50 B18R2.253 NC1=CC=C(C(=O)\C=C\C2=CC=CC=C2)C=C1 SBB049081 [0,1,0,0,1,0|0,0,2]=4 51 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CC=C(O)C=C2 SBB068798 [0,1,0,0,1,0|0,0,0]=2 52 B18R2.253 O=C(\C=C\C1=CC=CC=C1)C2=CC=C(Br)C=C2 SBB054203 [0,1,0,0,1,0|0,0,2]=4 53 B18R2.253 O=C(\C=C\C1=CC=CC=C1)C2=CC=C(Cl)C=C2 SBB055391 [0,1,0,0,1,0|0,0,2]=4 54 B18R2.253 O=C(\C=C\C1=CC=CC=C1)C2=CC=C(F)C=C2 SBB068404 [0,1,0,0,1,0|0,0,2]=4 55 B18R2.253 O=C(\C=C\C1=CC=CC=C1)C2=CC=C(O)C=C2 SBB061941 [0,1,0,0,1,0|0,0,2]=4 56 B18R2.257 NC1=CC=C(SCC(=O)C2=CC=CC=C2)C=C1 SBB112046 [0,1,0,0,1,0|1,0,0]=3 57 B18R2.257 O=C(\C=C\C1=CC=C(Br)C=C1)C2=CC=CC=C2 SBB068407 [0,1,0,0,1,0|0,0,2]=4 58 B18R2.257 O=C(\C=C\C1=CC=C(Cl)C=C1)C2=CC=CC=C2 SBB061853 [0,1,0,0,1,0|0,0,2]=4 59 B18R2.257 O=C(\C=C\C1=CC=C(F)C=C1)C2=CC=CC=C2 SBB096971 [0,1,0,0,1,0|0,0,2]=4 60 B18R2.257 O=C(\C=C\C1=CC=C(O)C=C1)C2=CC=CC=C2 SBB061940 [0,1,0,0,1,0|0,0,2]=4 61 B18R2.3634 CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 SBB007940 [0,1,0,0,1,0|0,0,0]=2 62 B18R2.3634 C\C(=C/C(=O)C1=CC=CC=C1)C2=CC=CC=C2 SBB007880 [0,1,0,0,1,0|0,0,2]=4 63 B18R2.3634 O=C(CC(=O)C1=CN=CC=C1)C2=CC=CC=C2 SBB061756 [0,1,0,0,1,0|1,0,1]=4 64 B18R2.3634 O=C(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2 SBB067197 [0,1,0,0,1,0|0,0,1]=3 65 B18R2.3634 O=C(\C=C(/O)C1=CC=CC=C1)C2=CC=CC=C2 SBB036044 [0,1,0,0,1,0|0,0,2]=4 66 B18R2.3990 O=C(\C=C\C1=C(O)C=CC=C1)C2=CC=CC=C2 SBB061939 [0,1,0,0,1,0|0,0,2]=4 67 B18R2.3990 O=C(\C=C\C1=CC=CC=C1Cl)C2=CC=CC=C2 SBB068299 [0,1,0,0,1,0|0,0,2]=4 68 B18R2.4001 NC1=C(C(=O)NCC2=NC=CC=C2)C=CC=C1 SBB013057 [0,1,0,0,1,0|2,0,0]=4 69 B18R2.4001 NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2 SBB000665 [0,1,0,0,1,0|1,0,0]=3 70 B18R2.4001 NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2 SBB072570 [0,1,0,0,1,0|2,0,0]=4 71 B18R2.4001 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2O SBB057428 [0,1,0,0,1,0|1,0,0]=3 72 B18R2.4001 O=C(NCC1=CC=CC=C1)C2=CC=CN=C2Cl SBB079098 [0,1,0,0,1,0|2,0,0]=4 73 B18R2.4001 O=C(NCC1=NC=CC=C1)C2=CC=CC=C2O SBB009871 [0,1,0,0,1,0|2,0,0]=4 74 B18R2.4001 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2O SBB058754 [0,1,0,0,1,0|0,0,0]=2 75 B18R2.6463 NC1=CC(C(=O)NCC2=CC=CC=C2)=CC=C1 SBB022625 [0,1,0,0,1,0|1,0,0]=3 76 B20R2.8343 NC1=C(C(=O)OC\C=C\C2=CC=CC=C2)C=CC=C1 SBB057927 [0,1,0,0,0,1|0,0,1]=3 77 B20R2.8343 NC1=CC=CC=C1C(=O)NCCOC2=CC=CC=C2 SBB050311 [0,1,0,0,0,1|1,0,0]=3 78 B20R2.10826 O=C(CCCC(=O)C1=CC=CC=C1)C2=CC=CC=C2 SBB008576 [0,1,0,0,0,1|1,0,0]=3 79 B20R2.153924 O=C(OCCCC1=CC=CC=C1)C2=CC(O)=CC=C2 SBB080172 [0,1,0,0,0,1|0,0,0]=2 80 B20R2.15243 NC1=CC=C(C(=O)OCC(=O)C2=CC=CC=C2)C=C1 SBB041142 [0,2,0,0,0,0|0,0,1]=3 81 B20R2.15707 CC1=CC=C(S(=O)(=O)OCCC2=CC=CC=C2)C=C1 SBB006308 [0,2,0,0,0,0|1,0,0]=3 82 B20R2.15707 NC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2)C=C1 SBB013754 [0,2,0,0,0,0|2,0,0]=4 83 B20R2.4789 NC1=CC=CC=C1C(=O)OCC(=O)C2=CC=CC=C2 SBB101582 [0,2,0,0,0,0|0,0,1]=3 84 B20R2.18233 CNC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2 SBB079877 [0,2,0,0,0,0|1,0,0]=3 85 B18R3.2108 C1=CC=C(C2NCCC3=C2C=CC=C3)C=C1 SBB044016 [1,0,0,1,0,0|1,0,1]=4 86 B18R3.2108 C1=CC=C([C@@H]2NCCC3=CC=CC=C32)C=C1 SBB056021 [1,0,0,1,0,0|1,0,1]=4 87 B18R3.11551 O=C1CC(C2=CC=CC=C2)C3=C1C=CC=C3 SBB008151 [0,0,0,1,1,0|0,0,0]=2 88 B18R3.11551 O=C1OC(C2=CC=CC=C2)C3=C1C=CC=C3 SBB008407 [0,0,0,1,1,0|0,0,0]=2 89 B18R3.1018200 O=C(OC1C2C=CC1C=C2)C3=CC=CC=C3 SBB007926 [0,0,0,1,1,0|0,0,2]=4 90 B20R3.13142 SC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 SBB010033 [0,0,0,1,0,1|1,1,0]=4 91 B20R3.82945 O=CC1=CN(CC2=CC=CC=C2)C3=C1C=CC=C3 SBB003250 [0,1,0,1,0,0|2,0,0]=4 92 B20R3.5709 NC1=CC=CC=C1C(=O)N2CCC3=CC=CC=C32 SBB055986 [0,1,0,1,0,0|1,0,0]=3 93 B20R3.148620 NC1=CC=C2CCN(C(=O)C3=CC=CN=C3)C2=C1 SBB027439 [0,1,0,1,0,0|2,0,0]=4 94 B20R3.1943595 O=C1C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C13 SBB006837 [0,1,0,1,0,0|2,0,0]=4 95 B16R2.2256 C1=CC=C(CCCC2=CC=CC=C2)C=C1 SBB008143 [1,0,0,0,1,0|0,0,1]=3 96 B16R2.2256 C1=CC=C(CCNC2=CC=CC=C2)C=C1 SBB085494 [1,0,0,0,1,0|1,0,0]=3 97 B16R2.2256 C1=CC=C(CCOC2=CC=CC=C2)C=C1 SBB007896 [1,0,0,0,1,0|0,0,0]=2 98 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 SBB058838 [1,0,0,0,1,0|1,0,1]=4 99 B16R2.2256 C1=CC=C(COCC2=CC=CC=C2)C=C1 SBB060360 [1,0,0,0,1,0|0,0,1]=3 100 B16R2.2256 C1=CC=C(CSCC2=CC=CC=C2)C=C1 SBB058652 [1,0,0,0,1,0|0,1,1]=4 101 B16R2.2256 C1=CC=C(\C=C\NC2=CC=CC=C2)C=C1 SBB059093 [1,0,0,0,1,0|1,0,1]=4 102 B16R2.2256 C1=CC=C(\C=N\NC2=CC=CC=C2)C=C1 SBB058392 [1,0,0,0,1,0|2,0,0]=4 103 B16R2.88 C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2 SBB002701 [0,0,0,0,2,0|1,0,0]=3 104 B16R2.88 CC(CC1=CC=CC=C1)C2=CC=CC=C2 SBB060404 [0,0,0,0,2,0|1,0,1]=4 105 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 SBB061254 [0,0,0,0,2,0|2,0,0]=4 106 B16R2.88 O=C(CC1=CC=CC=C1)C2=CC=CC=C2 SBB069474 [0,0,0,0,2,0|0,0,0]=2 107 B16R2.88 O=C(CC1=CC=NC=N1)C2=CC=CC=C2 SBB092303 [0,0,0,0,2,0|2,0,0]=4 108 B16R2.88 O=C(CC1=CN=CC=N1)C2=CC=CC=C2 SBB092299 [0,0,0,0,2,0|2,0,0]=4 109 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=CC=C2 SBB058065 [0,0,0,0,2,0|1,0,0]=3 110 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 SBB092304 [0,0,0,0,2,0|2,0,0]=4 111 B16R2.88 O=C(NC1=CC=CC=C1)C2=CN=CC=C2 SBB056971 [0,0,0,0,2,0|2,0,0]=4 112 B16R2.88 O=C(NC1=CC=NC=C1)C2=CC=CC=C2 SBB092300 [0,0,0,0,2,0|2,0,0]=4 113 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 SBB060350 [0,0,0,0,2,0|0,0,0]=2 114 B16R2.88 O=C(OC1=CC=CC=C1)C2=CN=CC=C2 SBB071422 [0,0,0,0,2,0|1,0,0]=3 115 B16R2.88 [NH3+]N(CC1=CC=CC=C1)C2=CC=CC=C2 SBB057083 [0,0,0,0,2,0|2,0,0]=4 116 B16R2.5767 O=C(OCC1=CC=CO1)C2=CC=CC=C2 SBB009977 [0,0,0,0,2,0|1,0,0]=3 117 B18R2.2525 C1=CC=C(CCNCCC2=CC=CC=C2)C=C1 SBB059796 [1,0,0,0,0,1|1,0,1]=4 118 B20R2.174735 S=C(NCCC1=CC=CC=C1)NCC2=CC=CC=C2 SBB017843 [0,0,0,0,0,2|1,1,0]=4