0 B9R1.12 CCNCC1=CC=CO1 CS-0196798 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.12 CCNCC1=CC=CO1 CS-0298678 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.12 CCNCC1=CC=CS1 CS-0453885 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.12 CNCCC1=CC=CS1 CS-0217931 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.12 O=CNCC1=CC=CO1 CS-0239002 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.8 BrCCC1=CC=CS1 CS-0217535 [1,0,0,0,0,0|1,1,1]=4 6 B8R1.8 C=CCN1C=CC=N1 CS-0308131 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.8 CNCC1=CC=CO1 CS-0070074 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.8 CNCC1=CC=CS1 CS-0068030 [1,0,0,0,0,0|1,1,1]=4 9 B8R1.8 COCC1=CC=CS1 CS-0196397 [1,0,0,0,0,0|0,2,1]=4 10 B8R1.8 N#CCC1=CC=CN1 CS-0341690 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.8 N#CCC1=CC=CO1 CS-0336077 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.8 NCCC1=CC=CN1 CS-0197212 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.8 NCCC1=CC=CS1 CS-0673662 [1,0,0,0,0,0|1,1,1]=4 14 B8R1.8 NOCC1=CC=CS1 CS-0287045 [1,0,0,0,0,0|1,2,0]=4 15 B8R1.8 OCCC1=CC=CO1 CS-0047160 [1,0,0,0,0,0|0,0,2]=3 16 B10R1.16 CCNCC1=CC=C(C)O1 CS-0673471 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.21 C=CCNCC1=CC=CS1 CS-0125516 [0,1,0,0,0,0|2,1,0]=4 18 B10R1.21 CCCNCC1=CC=CO1 CS-0125163 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.21 NCCSCC1=CC=CO1 CS-0208374 [0,1,0,0,0,0|1,0,1]=3 20 B10R1.21 OCCNCC1=CC=CO1 CS-0270956 [0,1,0,0,0,0|1,0,2]=4 21 B10R1.27 C\C(C=O)=C/C1=CC=CO1 CS-0235928 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.66 CC(=O)CCC1=CC=CO1 CS-0225552 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.66 CC(=O)CCN1C=CC=N1 CS-0677576 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.66 CC(=O)NCC1=CC=CO1 CS-0277814 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.66 CC(=O)NCC1=CC=CS1 CS-0245626 [0,1,0,0,0,0|1,1,0]=3 26 B10R1.66 CC(=O)SCC1=CC=CO1 CS-W018004 [0,1,0,0,0,0|0,0,0]=1 27 B10R1.66 CC(=O)\C=C\C1=CC=CS1 CS-0182830 [0,1,0,0,0,0|1,1,1]=4 28 B10R1.66 CC(=O)\C=C\C1=CC=CS1 CS-0369516 [0,1,0,0,0,0|1,1,1]=4 29 B10R1.66 CC(C)NCC1=CC=CO1 CS-0125023 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.66 CC(N)CCC1=CC=CO1 CS-0225556 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.66 N=C(N)NCC1=CC=CO1 CS-0260927 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.66 NC(=O)NCC1=CC=CO1 CS-0219937 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.66 NC(=O)NCC1=CC=CS1 CS-0714256 [0,1,0,0,0,0|1,1,0]=3 34 B10R1.66 NC(=S)NCC1=CC=CO1 CS-0221220 [0,1,0,0,0,0|1,1,0]=3 35 B10R1.66 O=C(O)CCC1=CN=CN1 CS-0308973 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.66 O=C(O)CCC1=CSC=N1 CS-0467736 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.66 O=C(O)CCN1C=CC=N1 CS-0359417 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.66 O=C(O)CSC1=CC=CS1 CS-0246633 [0,1,0,0,0,0|2,1,0]=4 39 B10R2.5 CC1CC1C2=CC=CO2 CS-0235014 [0,0,0,1,0,0|2,0,1]=4 40 B10R2.32 O=C1CCC2=C1C=CS2 CS-0187085 [0,0,0,1,0,0|1,1,0]=3 41 B10R2.32 O=C1CCN2C=CC=C12 CS-0243776 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.17 CCSCC1=CC=CC=C1 CS-0740924 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.17 ClCSCC1=CC=CC=C1 CS-0205241 [0,0,0,0,0,1|2,0,1]=4 44 B7R1.1 NCC1=CN=CO1 CS-0054595 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.1 NCC1=CN=CO1 CS-W018747 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.2 C(C)=C/C=CCOC(C)=O CS-W016457 [0,1,1,0,0,0|1,1,0]=4 47 B9R1.7 CC1=CC=C(CCN)O1 CS-0163785 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.7 CC1=CC=C(CCO)O1 CS-0186430 [1,1,0,0,0,0|0,0,2]=4 49 B9R1.7 CNCC1=CC=C(Br)O1 CS-0248058 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.11 CNC(C)C1=CC=CO1 CS-0246520 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.11 CSC(=O)C1=CC=CO1 CS-0150113 [1,1,0,0,0,0|0,0,2]=4 52 B9R1.11 NC(CO)C1=CC=CO1 CS-0217956 [1,1,0,0,0,0|0,0,2]=4 53 B9R1.11 O=CC(=O)C1=CC=CO1 CS-0187927 [1,1,0,0,0,0|0,0,1]=3 54 B9R1.13 CC(=O)CC1=CC=CO1 CS-0071306 [1,1,0,0,0,0|0,0,0]=2 55 B9R1.13 CC(=O)CC1=CC=CS1 CS-0037233 [1,1,0,0,0,0|0,1,0]=3 56 B9R1.13 CC(=O)CC1=CSC=C1 CS-0258395 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.13 CC(=O)CN1C=CC=N1 CS-0250525 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.13 CC(=O)NC1=CC=CS1 CS-0075152 [1,1,0,0,0,0|1,1,0]=4 59 B9R1.13 CC(N)CC1=CC=CO1 CS-0247239 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.13 CC(O)CC1=CC=CO1 CS-0466107 [1,1,0,0,0,0|0,0,2]=4 61 B9R1.13 CN(C)CC1=CC=CO1 CS-0758112 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.13 N=C(N)CC1=CC=CS1 CS-0252617 [1,1,0,0,0,0|1,1,0]=4 63 B9R1.13 NC(=O)CC1=CSC=C1 CS-0507061 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.13 O=C(O)CC1=CC=CN1 CS-0343301 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.13 O=C(O)CC1=CC=CO1 CS-W005298 [1,1,0,0,0,0|0,0,0]=2 66 B9R1.13 O=C(O)CC1=COC=C1 CS-0040852 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.33 CNCC1=C(C)C=CO1 CS-0239905 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.16 CC(NC=O)C1=CC=CC=C1 CS-0968765 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.91 CC(=N)SCC1=CC=CC=C1 CS-0327830 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.91 CC(=O)NCC1=CN=CC=C1 CS-0606534 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.91 CC(=O)NCC1=NC=CC=C1 CS-0245766 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.91 CC(=O)OCC1=NC=CC=C1 CS-0187774 [0,1,0,0,0,1|1,1,0]=4 73 B11R1.91 NC(=O)NCC1=CC=CC=N1 CS-0248586 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.91 NC(=O)NCC1=CN=CC=C1 CS-0216349 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.91 O=C(O)CCC1=CC=CC=N1 CS-0207764 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.91 O=C(O)CCC1=NC=CC=N1 CS-0186724 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.91 O=C(O)CCC1=NC=CN=C1 CS-0099490 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 CS-0315005 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.77 CC(CC(=O)O)C1=CC=CO1 CS-0245899 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.77 C\C(=C/C(=O)O)C1=CC=CO1 CS-0243710 [0,2,0,0,0,0|1,0,1]=4 81 B11R1.77 NC(CC(=O)O)C1=CC=CO1 CS-0132999 [0,2,0,0,0,0|1,0,0]=3 82 B11R1.75 CC1=CC=C(\C=C\C(=O)O)O1 CS-0867530 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.75 O=C(O)CCC1=CC(=O)NO1 CS-0671491 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.75 O=C(O)CCC1=CC(Br)=NO1 CS-0669428 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 CS-0116628 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.75 O=C(O)\C=C\C1=CC=C(I)O1 CS-0345051 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.25 C=CC(=O)OCC1=CC=CO1 CS-0758151 [0,2,0,0,0,0|0,1,0]=3 88 B11R1.25 CCC(=O)OCC1=CC=CO1 CS-0525063 [0,2,0,0,0,0|0,1,0]=3 89 B11R1.25 CCC(=O)SCC1=CC=CO1 CS-0152636 [0,2,0,0,0,0|0,0,0]=2 90 B11R1.25 CNC(=S)NCC1=CC=CO1 CS-0257651 [0,2,0,0,0,0|1,1,0]=4 91 B11R1.25 NNC(=O)NCC1=CC=CO1 CS-0251779 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.25 NNC(=S)NCC1=CC=CO1 CS-0221418 [0,2,0,0,0,0|1,1,0]=4 93 B11R1.25 O=C(CCl)NCC1=CC=CS1 CS-0218793 [0,2,0,0,0,0|1,1,0]=4 94 B11R1.172 O=C(O)CSCC1=CC=CS1 CS-0224256 [0,2,0,0,0,0|0,1,0]=3 95 B11R1.172 O=C(O)CSCC1=CSC=C1 CS-0234855 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.35 CC(CC1=CC=CS1)C(=O)O CS-0262892 [0,2,0,0,0,0|1,1,0]=4 97 B11R1.35 CN(CC1=CC=CS1)C(N)=O CS-0259357 [0,2,0,0,0,0|1,1,0]=4 98 B11R1.35 C\C(=C/C1=CC=CO1)C(=O)O CS-0243711 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.35 NC(CC1=CC=CN1)C(=O)O CS-0005389 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O CS-0136614 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O CS-0438216 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 CS-0074430 [0,2,0,0,0,0|1,1,0]=4 103 B9R2.3 C1=CC2=C(S1)SC=C2 CS-W016452 [1,0,0,1,0,0|1,1,0]=4 104 B11R2.1 O=C1NCC2=C1CC=CC2 CS-0052182 [0,0,0,1,0,1|2,0,0]=4 105 B11R2.1 O=C1OCC2=CN=CC=C12 CS-0452810 [0,0,0,1,0,1|1,1,0]=4 106 B11R2.1 O=C1SCC2=CC=CC=C12 CS-0545152 [0,0,0,1,0,1|1,0,0]=3 107 B11R2.2 C1=COC(C2NCCS2)=C1 CS-0231897 [0,1,0,1,0,0|1,0,1]=4 108 B11R2.106 O=C1CCCC2=C1C=NO2 CS-0235508 [0,1,0,1,0,0|2,0,0]=4 109 B11R2.60 CN1C=CC2=C1CCC2=O CS-0052472 [0,1,0,1,0,0|2,0,0]=4