0 B11R1.172 CC(=O)CSCC1=CC=CO1 SBB116836 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.172 CC(O)COCC1=CC=CO1 SBB017123 [0,0,0,0,0,0|0,1,2]=3 2 B11R1.172 FC(F)CNCC1=CC=CO1 SBB046688 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.172 O=C(O)CCCN1C=CC=N1 SBB027244 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.172 O=C(O)CSCC1=CC=CO1 SBB010540 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.21 NCCSCC1=CC=CO1 SBB010394 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.21 OCCNCC1=CC=CO1 SBB017330 [1,0,0,0,0,0|1,0,2]=4 8 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 SBB010490 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.105 CC1=CC(CSCC(=O)O)=NO1 SBB026234 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.105 CC1=CN(CSCC(=O)O)N=C1 SBB022843 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.105 CC1=NOC(COCC(=O)O)=C1 SBB026257 [0,1,0,0,0,0|2,1,0]=4 12 B12R1.105 CC1=NOC(CSCC(=O)O)=C1 SBB026235 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.105 O=C(O)CSCN1C=C(Br)C=N1 SBB022844 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.105 O=C(O)CSCN1C=C(Cl)C=N1 SBB022311 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.130 CN1N=CC=C1CSCC(=O)O SBB026287 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.264 CC(SCC1=CC=CO1)C(=O)O SBB010744 [0,1,0,0,0,0|1,0,0]=2 17 B12R1.477 COC(=O)CSCC1=CC=CS1 SBB058541 [0,1,0,0,0,0|0,1,0]=2 18 B12R1.477 NCC(O)COCC1=CC=CO1 SBB010520 [0,1,0,0,0,0|0,1,2]=4 19 B12R1.477 O=C(CCl)CNCC1=CC=CO1 SBB010042 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.66 CC(=O)CCN1C=CC=N1 SBB047979 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.66 CC(=O)OCC1=CC=CO1 SBB055767 [0,0,0,0,1,0|0,1,0]=2 22 B10R1.66 CC(=O)SCC1=CC=CO1 SBB057323 [0,0,0,0,1,0|0,0,0]=1 23 B10R1.66 CC(=O)\C=C\C1=CC=CO1 SBB056697 [0,0,0,0,1,0|0,0,2]=3 24 B10R1.66 CC(=O)\C=C\C1=CC=CS1 SBB056771 [0,0,0,0,1,0|0,1,2]=4 25 B10R1.66 CC(N)CCC1=CC=CO1 SBB007120 [0,0,0,0,1,0|1,0,1]=3 26 B10R1.66 NC(=O)\C=C\C1=CC=CO1 SBB085962 [0,0,0,0,1,0|1,0,2]=4 27 B10R1.66 NC(=S)NCC1=CC=CO1 SBB017660 [0,0,0,0,1,0|2,1,0]=4 28 B10R1.66 O=C(O)CCC1=CC=NO1 SBB013802 [0,0,0,0,1,0|2,0,0]=3 29 B10R1.66 O=C(O)CCN1C=CC=C1 SBB010274 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.66 O=C(O)CCN1C=CC=N1 SBB047343 [0,0,0,0,1,0|3,0,0]=4 31 B10R1.66 OC(=O)CCC1=CC=CO1 SBB005449 [0,0,0,0,1,0|1,0,0]=2 32 B10R1.66 OC(=O)\C=C\C1=CC=CO1 SBB004189 [0,0,0,0,1,0|1,0,2]=4 33 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,0,0,0,0,1|2,0,0]=3 34 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,0,0,0,0,1|1,0,0]=2 35 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,0,0,0,0,1|3,0,0]=4 36 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,0,0,0,0,1|3,0,0]=4 37 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,0,0,0,0,1|3,0,0]=4 38 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,0,0,0,0,1|3,0,0]=4 39 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,0,0,0,0,1|2,1,0]=4 40 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,0,0,0,0,1|3,0,0]=4 41 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [0,0,0,0,0,1|3,0,0]=4 42 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SBB014669 [0,0,0,0,0,1|3,0,0]=4 43 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [0,0,0,0,0,1|3,0,0]=4 44 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [0,0,0,0,0,1|3,0,0]=4 45 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,0,0,0,0,1|2,1,0]=4 46 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [0,0,0,0,0,1|2,0,0]=3 47 B12R1.255 CC(N)CCCCC1=CC=CO1 SBB017103 [0,0,0,0,0,1|2,0,1]=4 48 B12R1.255 CN(C)CCNCC1=CC=CO1 SBB109855 [0,0,0,0,0,1|3,0,0]=4 49 B12R1.255 NC(=O)CCNCC1=CC=CO1 SBB116752 [0,0,0,0,0,1|2,0,0]=3 50 B9R1.12 C(=O)\C=C\C1=CC=CO1 SBB004286 [2,0,0,0,0,0|0,0,2]=4 51 B9R1.12 CCNCC1=CC=CO1 SBB047492 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.12 CSSCC1=CC=CO1 SBB057326 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.12 NCCCC1=CC=CO1 SBB047796 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.25 CCC(=O)SCC1=CC=CO1 SBB058322 [1,1,0,0,0,0|0,0,2]=4 55 B11R1.25 CNC(C)CCC1=CC=CO1 SBB007121 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.35 CC(CC1=CC=CS1)C(=O)O SBB027240 [0,1,0,0,1,0|1,1,0]=4 57 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SBB066404 [0,1,0,0,1,0|1,1,0]=4 58 B11R1.75 CC1=CC=C(CCC(=O)O)O1 SBB007451 [0,1,0,0,1,0|1,0,0]=3 59 B11R1.75 O=C(O)CCC1=CC(=O)NO1 SBB014903 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 SBB007117 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 SBB017377 [0,1,0,0,1,0|0,1,1]=4 62 B11R1.77 NC(CC(=O)O)C1=CC=CO1 SBB007398 [0,1,0,0,1,0|1,0,0]=3 63 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 SBB049904 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 SBB047481 [0,1,0,0,0,1|2,0,0]=4 65 B13R1.718 COC(=O)CCCC1=CC=CC=C1 SBB007854 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.718 NNC(=O)CSCC1=CC=CC=C1 SBB046911 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.128 CC1=NOC(CSCCC(=O)O)=C1 SBB026247 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.162 COC(=O)CNC(=O)C1=CC=CO1 SBB057149 [0,2,0,0,0,0|1,0,1]=4 69 B13R1.60 CCC1=NOC(CSCC(=O)O)=C1 SBB026237 [0,2,0,0,0,0|2,0,0]=4 70 B11R2.2 C1=COC(C2CCCN2)=C1 SBB025605 [1,0,0,1,0,0|1,0,1]=4 71 B11R2.2 C1=COC(C2NCCS2)=C1 SBB027762 [1,0,0,1,0,0|1,0,1]=4 72 B11R2.106 O=C1CCCC2=C1C=CS2 SBB038712 [1,0,0,1,0,0|1,1,0]=4 73 B13R2.10 O=C1CSC(C2=CC=CC=C2)N1 SBB076217 [0,0,0,1,0,1|2,0,0]=4 74 B9R1.13 CC(=O)CN1C=CC=N1 SBB002740 [0,0,0,0,2,0|2,0,0]=4 75 B9R1.13 CC(N)CC1=CC=CO1 SBB010238 [0,0,0,0,2,0|1,0,1]=4 76 B9R1.13 O=C(Cl)CC1=CC=CS1 SBB006705 [0,0,0,0,2,0|1,1,0]=4 77 B9R1.13 OC(=O)CC1=CC=CS1 SBB004145 [0,0,0,0,2,0|1,1,0]=4 78 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [0,0,0,0,0,2|2,0,0]=4 79 B13R1.337 O=C(O)CSCCC1=NC=CC=C1 SBB300316 [0,0,0,0,0,2|2,0,0]=4