0 B10R1.4 CNCC1=CC=CC=C1Br CS-0031414 [1,0,0,0,0,0|0,0,0]=1 1 B10R1.4 CNCC1=CC=CC=C1C CS-0045339 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.4 CNCC1=CC=CC=C1F CS-W005782 [1,0,0,0,0,0|0,1,0]=2 3 B10R1.4 ClC1=CC=CC=C1CCBr CS-0081877 [1,0,0,0,0,0|1,1,0]=3 4 B10R1.4 N#CCC1=CC=CC=C1F CS-W013356 [1,0,0,0,0,0|0,1,2]=4 5 B10R1.4 N#CCC1=CC=CC=C1N CS-W008009 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.4 NCCC1=C(Cl)C=CC=C1 CS-W019353 [1,0,0,0,0,0|0,1,0]=2 7 B10R1.4 NCCC1=CC=CC=C1Br CS-W013200 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.4 NOCC1=CC=CC=C1F CS-0098085 [1,0,0,0,0,0|1,1,0]=3 9 B10R1.4 OCCC1=CC=CC=C1Cl CS-W017988 [1,0,0,0,0,0|1,1,0]=3 10 B10R1.4 OCCC1=CC=CC=C1I CS-0045354 [1,0,0,0,0,0|1,1,0]=3 11 B10R1.17 BrCCOC1=CC=CC=C1 CS-W015572 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 ClCCSC1=CC=CC=C1 CS-M0048 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.69 CC1=CC=C(CCCO)C(N)=C1 CS-M1559 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.267 C=CCCOC1=CC=CC=C1Br CS-M0599 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.267 COCOCC1=CC=CC=C1Br CS-M0248 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.267 FC1=CC=CC=C1OCCCBr CS-0059249 [0,1,0,0,0,0|2,1,0]=4 19 B12R1.308 CCOC(=O)C1=CC=CC=C1Br CS-0097784 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 CS-0102202 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS-W019150 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.371 COC(=O)CC1=CC=CC=C1C CS-0088539 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.71 CCCCC\C=C\C=C\C=O CS-W014343 [0,0,1,0,0,0|2,0,1]=4 24 B12R2.24 CC1CCC2=CC=CC=C2N1 CS-W019554 [0,0,0,1,0,0|2,0,0]=3 25 B12R2.24 NC1CCC2=CC=CC=C2C1 CS-W006188 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.32 CNC1CC2=C(C=CC=C2)C1 CS-0062934 [0,0,0,1,0,0|1,0,0]=2 27 B12R2.32 OCC1CC2=C(C=CC=C2)C1 CS-B1058 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.196 CN1C=CC2=C1C=CC=C2N CS-0061752 [0,0,0,1,0,0|1,0,2]=4 29 B12R2.196 CN1C=CC2=C1C=CC=C2O CS-0019305 [0,0,0,1,0,0|1,0,2]=4 30 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 CS-0001931 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CS-D0684 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.196 O=C1COC2=C(Br)C=CC=C12 CS-W022534 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 CS-W018932 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.1081 BrC1=C2OCCCC2=CC=C1 CS-0101619 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [2,0,0,0,0,0|0,0,2]=4 36 B9R1.8 NCCC1=CC=CC=N1 CS-W005000 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 NCCC1=CN=CC=C1 CS-W008641 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.15 C#CC1=C(Br)C=CC=C1 CS-0028333 [2,0,0,0,0,0|0,0,2]=4 43 B9R1.15 CC1=CC=CC=C1NN CS-W007773 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.15 CCC1=C(Br)C=NC=C1 CS-W021862 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.15 CNC1=CC=CC=C1F CS-W013511 [2,0,0,0,0,0|0,1,0]=3 46 B9R1.15 CNC1=CC=CC=C1N CS-W015729 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.15 CNC1=CN=CC=C1C CS-M3532 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.15 COC1=C(Br)C=CN=C1 CS-0006068 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.15 COC1=C(Br)C=CN=C1 CS-0031482 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 COC1=CC=CC=C1Br CS-W007633 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.15 COC1=CC=CC=C1I CS-W009305 [2,0,0,0,0,0|1,1,0]=4 52 B9R1.15 COC1=NC=CC=C1Br CS-D0942 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.15 CSC1=C(N)C=CC=C1 CS-0072892 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 N#CC1=CC=CC=C1Br CS-W007475 [2,0,0,0,0,0|0,0,2]=4 55 B9R1.15 NC1=CC=CC=C1CO CS-W004705 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 NCC1=CC=CC=C1Br CS-W004667 [2,0,0,0,0,0|0,0,0]=2 57 B9R1.15 O=CC1=CC=CC=C1Br CS-D1759 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.15 OCC1=CC=CC=C1Br CS-W008828 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.15 OCC1=CC=CC=C1I CS-W004678 [2,0,0,0,0,0|1,1,0]=4 60 B11R1.41 CNCC1=CC=CC=C1OC CS-W023049 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.81 CCOC1=CC=C(N)C=C1Cl CS-0098712 [1,1,0,0,0,0|1,1,0]=4 62 B11R1.81 CCOC1=NC=C(C)C=C1Br CS-B0102 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 CS-W005386 [1,1,0,0,0,0|0,0,2]=4 64 B11R1.81 NCCC1=C(F)C=C(F)C=C1 CS-W021377 [1,1,0,0,0,0|0,1,0]=3 65 B11R1.86 CC(=O)CC1=CC=CC=C1Cl CS-0043797 [1,1,0,0,0,0|0,1,1]=4 66 B11R1.86 CC(C)OC1=CC=CC=C1Br CS-W014904 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.86 CC(C)SC1=CC=CC=C1N CS-0010898 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.86 FC(F)OC1=CC=CC=C1Br CS-W007867 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.86 O=C(O)CC1=CC=CC=C1Br CS-W007544 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.222 CNC(=O)C1=CC=CC=C1O CS-B1147 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.222 COC(=O)C1=CC=CC=C1Br CS-W007744 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.1 CCCCC1=CC=C(Br)C=C1 CS-W014978 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.1 NCCCC1=CC=C(Cl)C=C1 CS-W021762 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.1 OCCCC1=CC=C(Br)C=C1 CS-B0314 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 CS-W019696 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.24 CC1=CC=CC(CCCO)=C1 CS-M2099 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.24 CCNCC1=CC=CC(Cl)=C1 CS-0045368 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.28 BrCCCOC1=CC=CC=C1 CS-0030579 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.28 BrCCOCC1=CC=CC=C1 CS-W007388 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.28 CCOCCC1=CC=CC=N1 CS-W018112 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.28 NCCOCC1=CC=CC=C1 CS-W018620 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.28 OCCCCC1=CC=CC=C1 CS-W018137 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.40 NCC(O)CC1=CC=CC=C1 CS-D0131 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CS-D1142 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.201 CC(C)CC(C)C1=CC=CC=C1N CS-0030818 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O CS-0059190 [0,2,0,0,0,0|2,0,0]=4 88 B11R2.10 OC1CC2=CC=CC=C2C1 CS-W004877 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.20 C1=CC2=C(CCNC2)N=C1 CS-W005893 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.20 C1=CC2=C(CNCC2)N=C1 CS-D0063 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.20 C1=CC=C2NCCNC2=C1 CS-W013368 [1,0,0,1,0,0|2,0,0]=4 92 B11R2.20 C1=CC=C2OCCNC2=C1 CS-W004783 [1,0,0,1,0,0|2,0,0]=4 93 B11R2.20 C1=CC=C2SCCNC2=C1 CS-0006415 [1,0,0,1,0,0|2,0,0]=4 94 B11R2.20 C1=CN=C2CCCNC2=C1 CS-W006541 [1,0,0,1,0,0|2,0,0]=4 95 B11R2.106 BrC1=CC=CC2=C1C=CN2 CS-D1365 [1,0,0,1,0,0|0,0,2]=4 96 B11R2.106 BrC1=CC=CC2=C1C=NN2 CS-W018550 [1,0,0,1,0,0|1,0,1]=4 97 B11R2.106 ClC1=C2CCCC2=NC=C1 CS-W019784 [1,0,0,1,0,0|1,1,0]=4 98 B11R2.106 NC1=C2OCCC2=CC=C1 CS-B1184 [1,0,0,1,0,0|2,0,0]=4 99 B11R2.106 OC1=C2CCNC2=NC=C1 CS-0093336 [1,0,0,1,0,0|2,0,0]=4 100 B11R2.106 OC1=CC=CC2=C1CCC2 CS-W006868 [1,0,0,1,0,0|1,0,0]=3 101 B11R2.1 CN1C=CC2=C1C=CC=C2 CS-W008981 [1,0,0,1,0,0|0,0,2]=4 102 B11R2.1 NC1CCC2=C1C=CC=C2 CS-D1386 [1,0,0,1,0,0|2,0,0]=4 103 B11R2.1 OC1CCC2=C1C=CC=C2 CS-0017842 [1,0,0,1,0,0|2,0,0]=4 104 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 CS-W013378 [1,0,0,1,0,0|2,0,0]=4 105 B11R2.1 [C@@H]1(N)CCC2=CC=CC=C21 CS-W005779 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.5180 CC1=CC=C2C(=C1Br)C=NN2C CS-0054322 [0,1,0,1,0,0|1,0,1]=4 107 B13R2.3742 CC1=CC2=C(CCC2=O)C(Br)=C1 CS-0101673 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.3742 O=C1CCC2=C1C=C(F)C=C2Br CS-0041876 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.57 OCC1CCC2=C(C=CC=C2)O1 CS-0036516 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)C1 CS-B0105 [0,1,0,1,0,0|1,0,0]=3 111 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)N1 CS-W019900 [0,1,0,1,0,0|2,0,0]=4 112 B13R2.18 BrC1=CC=CC=C1[C@H]2CCCN2 CS-0101688 [0,1,0,1,0,0|1,0,0]=3 113 B13R2.342 CC1=CC=CC2=C1CCNC2=O CS-W022412 [0,1,0,1,0,0|1,0,1]=4 114 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 CS-0033201 [0,1,0,1,0,0|2,0,0]=4 115 B13R2.4825 CC1=NC2=C(Br)C=CC=C2N1C CS-0097508 [0,1,0,1,0,0|1,0,1]=4