0 B10R1.17 BrCCOC1=CC=CC=C1 CS-W015572 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 ClCCSC1=CC=CC=C1 CS-M0048 [0,0,0,0,0,0|1,1,0]=2 3 B10R1.17 N#CC#CC1=CC=CC=C1 CS-W013484 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 NCCC1=CC=CC=N1 CS-W005000 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 NCCC1=CN=CC=C1 CS-W008641 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.1 CCCCC1=CC=C(Br)C=C1 CS-W014978 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.1 NCCCC1=CC=C(Cl)C=C1 CS-W021762 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.1 NCCOC1=CC=C(F)C=C1 CS-0073022 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.1 OCCCC1=CC=C(Br)C=C1 CS-B0314 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.1 OCCNC1=NC=C(Br)C=N1 CS-0080185 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 CS-W019696 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.24 CC1=CC=CC(CCCO)=C1 CS-M2099 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.24 CCNCC1=CC=CC(Cl)=C1 CS-0045368 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.28 BrCCCOC1=CC=CC=C1 CS-0030579 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.28 BrCCOCC1=CC=CC=C1 CS-W007388 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.28 CCOCCC1=CC=CC=N1 CS-W018112 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.28 NCCOCC1=CC=CC=C1 CS-W018620 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.28 OCCCCC1=CC=CC=C1 CS-W018137 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.40 NCC(O)CC1=CC=CC=C1 CS-D0131 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CS-D1142 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.91 N=C(O)OCC1=CC=CC=C1 CS-W004984 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [0,1,0,0,0,0|1,1,1]=4 32 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [0,1,0,0,0,0|2,0,1]=4 33 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS-W019471 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.1 NC1CCC2=C1C=CC=C2 CS-D1386 [0,0,0,1,0,0|2,0,0]=3 35 B11R2.1 OB1OCC2=CC=CC=C12 CS-0078606 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.1 OC1=NCC2=CC=CC=C21 CS-W004767 [0,0,0,1,0,0|2,0,1]=4 37 B11R2.1 OC1=NSC2=CC=CC=C21 CS-W018117 [0,0,0,1,0,0|1,1,1]=4 38 B11R2.1 OC1CCC2=C1C=CC=C2 CS-0017842 [0,0,0,1,0,0|1,0,0]=2 39 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 CS-W013378 [0,0,0,1,0,0|1,0,0]=2 40 B11R2.1 [C@@H]1(N)CCC2=CC=CC=C21 CS-W005779 [0,0,0,1,0,0|2,0,0]=3 41 B11R2.20 C1=CC=C2NCCNC2=C1 CS-W013368 [0,0,0,1,0,0|2,0,0]=3 42 B11R2.20 C1=CC=C2OCCNC2=C1 CS-W004783 [0,0,0,1,0,0|1,0,0]=2 43 B11R2.20 C1=CC=C2SCCNC2=C1 CS-0006415 [0,0,0,1,0,0|1,1,0]=3 44 B11R2.20 C1=CN=C2CCCNC2=C1 CS-W006541 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.20 C1=CN=C2NCCOC2=C1 CS-0039841 [0,0,0,1,0,0|2,0,0]=3 46 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [1,0,1,0,0,0|2,0,0]=4 47 B8R1.2 CNC1=CC=NC=C1 CS-W013674 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 COC1=CC=CC=N1 CS-W009307 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.2 COC1=CC=CN=N1 CS-W021957 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 COC1=CC=NC=C1 CS-W007634 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.2 CSC1=CC=CC=C1 CS-0015372 [2,0,0,0,0,0|0,1,0]=3 52 B8R1.2 ClCC1=CC=CC=N1 CS-W007502 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 ClCC1=CC=NC=C1 CS-W016094 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 NCC1=CC=CC=N1 CS-W007488 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 NCC1=CC=CN=C1 CS-W019701 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 OCC1=CC=CN=C1 CS-4356 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.2 OCC1=NN=CC=C1 CS-W005032 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 ONC1=CC=CC=C1 CS-W007515 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.1 CCOC1=NC=C(Br)C=N1 CS-M1310 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS-W008769 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.1 N#CCC1=CC=C(I)C=C1 CS-W005301 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.1 N#CCC1=CC=C(O)C=C1 CS-W016539 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.1 NCCC1=CC=C(F)C=C1 CS-W018312 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.1 NCCC1=CC=C(N)C=C1 CS-W021984 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.1 NOCC1=CC=C(F)C=C1 CS-0043692 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.1 OC1=CC=C(CCBr)C=C1 CS-W004888 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.1 OCCC1=CC=C(Br)C=C1 CS-W004747 [1,1,0,0,0,0|0,0,0]=2 68 B10R1.1 OCCC1=CC=C(I)C=C1 CS-W004990 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.4 CNCC1=CC=CC=C1Br CS-0031414 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.4 CNCC1=CC=CC=C1C CS-0045339 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.4 CNCC1=CC=CC=C1F CS-W005782 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.4 ClC1=CC=CC=C1CCBr CS-0081877 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.4 N#CCC1=CC=CC=C1F CS-W013356 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.4 N#CCC1=CC=CC=C1N CS-W008009 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.4 NCCC1=C(Cl)C=CC=C1 CS-W019353 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.4 NCCC1=CC=CC=C1Br CS-W013200 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.4 NOCC1=CC=CC=C1F CS-0098085 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.4 OCCC1=CC=CC=C1Cl CS-W017988 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.4 OCCC1=CC=CC=C1I CS-0045354 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.10 OCCC1=CC(F)=CC=C1 CS-W021390 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [1,1,0,0,0,0|1,1,0]=4 83 B10R1.15 NC(CO)C1=CC=CC=C1 CS-W005163 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CS-W016497 [1,1,0,0,0,0|0,0,0]=2 85 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [1,1,0,0,0,0|0,0,2]=4 86 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.18 S=C(Cl)OC1=CC=CC=C1 CS-W008892 [1,1,0,0,0,0|0,1,1]=4 89 B10R1.21 OCCNCC1=CC=CS1 CS-0037676 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.1 FC1=CC=C(CCCCCl)C=C1 CS-0042392 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 CS-W017075 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 CS-0101763 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [0,2,0,0,0,0|0,1,1]=4 96 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 CS-W021545 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.69 CC1=CC=C(CCCO)C(N)=C1 CS-M1559 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.69 N#CCOC1=C(Cl)C=C(Br)C=C1 CS-0046865 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.71 CCCOC1=CC=C(C=O)C=C1 CS-W020540 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.71 N#CC1=CC=C(CCCO)C=C1 CS-W021991 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.71 O=CC1=CC=C(OCCO)C=C1 CS-M2027 [0,2,0,0,0,0|0,0,0]=2 102 B12R1.30 NC(CCCO)C1=CC=CC=C1 CS-0028348 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 CS-0097724 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.121 COC1=C(OCCN)C=CC=C1 CS-0030728 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [0,2,0,0,0,0|0,1,1]=4 107 B12R1.267 C=CCCOC1=CC=CC=C1Br CS-M0599 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.267 COCOCC1=CC=CC=C1Br CS-M0248 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.267 FC1=CC=CC=C1OCCCBr CS-0059249 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [0,2,0,0,0,0|0,0,1]=3 112 B12R1.8 NCCCNCC1=CC=CC=C1 CS-W022916 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [0,2,0,0,0,0|0,0,1]=3 115 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS-W023196 [0,2,0,0,0,0|1,0,0]=3 116 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 CS-W013577 [1,0,0,1,0,0|0,0,0]=2 117 B10R2.6 [C@H]1(C2=CC=CC=C2)CO1 CS-W011206 [1,0,0,1,0,0|0,0,0]=2 118 B10R2.7 C1=CC2=C(C=C1)CNC2 CS-D1516 [1,0,0,1,0,0|2,0,0]=4 119 B10R2.7 C1=CC2=C(C=C1)NCC2 CS-W009145 [1,0,0,1,0,0|1,0,0]=3 120 B10R2.7 C1=CC2=C(C=N1)NCC2 CS-W021490 [1,0,0,1,0,0|2,0,0]=4 121 B10R2.7 C1=CC=C2OCOC2=C1 CS-W020572 [1,0,0,1,0,0|0,0,0]=2 122 B10R2.7 C1=CN=C2NCCC2=C1 CS-M0806 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 CS-W008084 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.24 BrC1=CC=C2CCCOC2=C1 CS-0028282 [0,1,0,1,0,0|1,0,0]=3 125 B12R2.24 CC1CCC2=CC=CC=C2N1 CS-W019554 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 CS-0040537 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.24 NC1CCC2=CC=CC=C2C1 CS-W006188 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [0,1,0,1,0,0|0,0,1]=3 129 B12R2.24 OC1=CC=C2CCCCC2=C1 CS-W019501 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.132 NC1CCC2=C1C=C(Br)C=C2 CS-0101126 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS-W019488 [0,1,0,1,0,0|0,0,2]=4 132 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 CS-0042135 [0,1,0,1,0,0|1,0,0]=3 133 B12R2.2 C1=CC=C(C2CCNC2)C=C1 CS-0046245 [0,1,0,1,0,0|2,0,0]=4 134 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 CS-0038202 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 CS-W006442 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.1081 BrC1=C2OCCCC2=CC=C1 CS-0101619 [0,1,0,1,0,0|1,0,0]=3 137 B12R2.1081 NC1CCOC2=C1C=CC=C2 CS-WAA0254 [0,1,0,1,0,0|1,0,0]=3 138 B12R2.1081 NC1COCC2=CC=CC=C21 CS-0096164 [0,1,0,1,0,0|1,0,0]=3 139 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 CS-W007717 [0,1,0,1,0,0|2,0,0]=4 140 B12R2.1081 O=C1CCNC2=C1C=CC=C2 CS-W021492 [0,1,0,1,0,0|1,0,1]=4 141 B12R2.32 OCC1=CC2=CC=CC=C2S1 CS-W017901 [0,1,0,1,0,0|0,1,1]=4 142 B12R2.32 OCC1=NC2=CC=CC=C2S1 CS-W017888 [0,1,0,1,0,0|0,1,1]=4 143 B12R2.32 OCC1CC2=C(C=CC=C2)C1 CS-B1058 [0,1,0,1,0,0|1,0,0]=3 144 B12R2.196 O=C1COC2=C(Br)C=CC=C12 CS-W022534 [0,1,0,1,0,0|0,0,2]=4 145 B12R2.203 OC1CSC2=CC=CC(Br)=C21 CS-0101764 [0,1,0,1,0,0|0,1,0]=3 146 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 CS-0101638 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 CS-0102157 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 CS-0102159 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.612 OC1CCC2=C1C=CC(F)=C2 CS-0101616 [0,1,0,1,0,0|1,0,0]=3 150 B12R2.612 OC1CCC2=CC(Cl)=CC=C21 CS-W006473 [0,1,0,1,0,0|1,0,0]=3 151 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 CS-0036537 [0,1,0,1,0,0|1,0,1]=4 152 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O CS-0034926 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O CS-W002530 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.8 NCCC1=CC=CO1 CS-B1143 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.8 OCCC1=CC=CS1 CS-W020421 [1,0,0,0,1,0|1,0,0]=3