0 B10R1.21 CCNCCN1C=CC=N1 7261AJ [0,0,0,0,0,0|3,0,0]=3 1 B10R1.21 CNCCCC1=CC=CO1 5597AD [0,0,0,0,0,0|1,1,0]=2 2 B10R1.21 NCCCCN1C=CN=C1 0376AD [0,0,0,0,0,0|4,0,0]=4 3 B10R1.21 OCCNCC1=CC=CO1 3755AE [0,0,0,0,0,0|2,1,0]=3 4 B9R1.12 CCCCC1=CC=CO1 5552AL [1,0,0,0,0,0|0,1,0]=2 5 B9R1.12 CCCCC1=NN=CO1 6161AC [1,0,0,0,0,0|2,1,0]=4 6 B9R1.12 CCNCC1=CSC=N1 4173AF [1,0,0,0,0,0|3,0,0]=4 7 B9R1.12 CCOCC1=NC=CN1 V7222 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.12 CNCCC1=CC=CS1 8340AC [1,0,0,0,0,0|1,0,0]=2 9 B9R1.12 NCCCC1=CC=CO1 3731AE [1,0,0,0,0,0|1,1,0]=3 10 B9R1.12 NCCCC1=CC=CS1 6482AE [1,0,0,0,0,0|1,0,0]=2 11 B9R1.12 O=C=NCC1=CC=CS1 8554AE [1,0,0,0,0,0|2,0,1]=4 12 B9R1.12 OCCCC1=CSC=C1 5648AJ [1,0,0,0,0,0|3,0,0]=4 13 B9R1.12 OCCCN1C=CC=C1 1412AL [1,0,0,0,0,0|3,0,0]=4 14 B11R1.4 CC#CCNCC1=CC=CO1 0281AD [0,1,0,0,0,0|0,1,2]=4 15 B11R1.4 CCCCOCC1=CC=CO1 Y1589 [0,1,0,0,0,0|0,1,0]=2 16 B11R1.4 COCCNCC1=CSC=C1 1714AF [0,1,0,0,0,0|3,0,0]=4 17 B11R1.4 COCCNCC1=NC=CS1 1975AF [0,1,0,0,0,0|2,0,0]=3 18 B11R1.4 NCCCNCC1=CC=CO1 7438AD [0,1,0,0,0,0|1,1,0]=3 19 B11R1.25 CNC(C)CCC1=CC=CO1 5055AD [0,1,0,0,0,0|1,1,0]=3 20 B11R1.25 COC(=O)CCC1=CC=CS1 8609AA [0,1,0,0,0,0|1,0,1]=3 21 B11R1.27 CC1=CC=C(CNCCO)O1 7558AD [0,1,0,0,0,0|2,1,0]=4 22 B11R1.27 CCCCSC1=NC(Cl)=NS1 1785AE [0,1,0,0,0,0|3,0,0]=4 23 B11R1.27 CCCCSC1=NN=C(N)S1 0510AE [0,1,0,0,0,0|3,0,0]=4 24 B11R1.29 CCCCC(=O)C1=CC=CO1 Z5508 [0,1,0,0,0,0|0,1,1]=3 25 B11R1.29 CCCCC(=O)C1=CC=CS1 Z5534 [0,1,0,0,0,0|0,0,1]=2 26 B11R1.29 CCSCC(=O)C1=CC=CS1 5708AB [0,1,0,0,0,0|1,0,1]=3 27 B11R1.29 NCCNC(=O)C1=CC=CS1 8732AB [0,1,0,0,0,0|2,0,1]=4 28 B11R1.172 O=C(O)CSCC1=CC=CS1 4298AE [0,1,0,0,0,0|2,0,1]=4 29 B9R0.45 CCCCCC\C=C/CO 7426AL [0,0,1,0,0,0|0,1,2]=4 30 B11R2.2 C1=CC(C2CCCN2)=CS1 Q620 [0,0,0,1,0,0|3,0,0]=4 31 B11R2.2 C1=CN(C2CCCC2)C=N1 5115AJ [0,0,0,1,0,0|3,0,0]=4 32 B11R2.2 C1=COC(C2NCCS2)=C1 4793AE [0,0,0,1,0,0|2,1,0]=4 33 B11R2.2 C1=CSC(C2OCCO2)=N1 1700AL [0,0,0,1,0,0|3,0,0]=4 34 B11R2.2 C1=CSC(N2CCCC2)=N1 V6382 [0,0,0,1,0,0|2,0,0]=3 35 B11R2.2 C1=NNC(C2CCCC2)=N1 1022AD [0,0,0,1,0,0|3,0,0]=4 36 B11R2.18 C1=NN2CCCNCC2=C1 9527AJ [0,0,0,1,0,0|3,0,0]=4 37 B11R2.106 NC1CCCC2=C1C=CS2 6003AE [0,0,0,1,0,0|1,0,0]=2 38 B11R1.28 CCOCCC1=NC=CC=C1 Y8563 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [0,0,0,0,0,1|2,0,0]=3 40 B11R1.28 ClCCCOC1=CC=CC=C1 0684AE [0,0,0,0,0,1|3,0,0]=4 41 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [0,0,0,0,0,1|3,0,0]=4 42 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [0,0,0,0,0,1|3,0,0]=4 43 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [0,0,0,0,0,1|2,0,0]=3 44 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [0,0,0,0,0,1|2,0,1]=4 45 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [0,0,0,0,0,1|2,0,0]=3 46 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [0,0,0,0,0,1|2,0,0]=3 47 B11R1.28 OCCNCC1=CC=CC=N1 0192AC [0,0,0,0,0,1|3,0,0]=4 48 B8R0.1 C\C=C\C(=O)CCCC 5771AL [1,0,1,0,0,0|0,1,1]=4 49 B8R0.4 C=CCCCCCCC 8130AF [1,0,1,0,0,0|0,0,2]=4 50 B8R0.4 C\C=C\CCCCCC 9212AL [1,0,1,0,0,0|0,0,2]=4 51 B8R1.8 BrCCC1=CC=CS1 Z5496 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.8 CCCC1=CC=CO1 Z5525 [2,0,0,0,0,0|0,1,0]=3 53 B8R1.8 CCCC1=CSC=C1 Z5466 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.8 CCNC1=CC=CS1 W4294 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.8 CCNC1=NC=CS1 4125AJ [2,0,0,0,0,0|2,0,0]=4 56 B8R1.8 CNCC1=NC=CS1 4356AD [2,0,0,0,0,0|2,0,0]=4 57 B8R1.8 NCCC1=CC=CN1 1070AJ [2,0,0,0,0,0|2,0,0]=4 58 B8R1.8 NCCC1=CC=CN1 5556AB [2,0,0,0,0,0|2,0,0]=4 59 B8R1.8 NCCC1=NC=CS1 5806AE [2,0,0,0,0,0|2,0,0]=4 60 B8R1.8 NCCC1=NC=CS1 Y1661 [2,0,0,0,0,0|2,0,0]=4 61 B10R0.91 CCCCCC(=O)\C=C\C=O 1416AH [0,1,1,0,0,0|0,1,0]=3 62 B10R0.4 CCCCCC\C=C\C(=O)O 5765AL [0,1,1,0,0,0|0,1,1]=4 63 B10R0.4 CCCCC\C=C\CC(=O)O 6140AL [0,1,1,0,0,0|0,1,1]=4 64 B10R0.71 C=C\C=C\C=C\CCCCC 4500AL [0,1,1,0,0,0|1,0,0]=3 65 B10R1.11 CCCC(=O)C1=CC=CO1 Z5524 [1,1,0,0,0,0|0,1,1]=4 66 B10R1.11 CCCC(N)C1=CC=CS1 4090AE [1,1,0,0,0,0|0,0,0]=2 67 B10R1.16 CC1=CSC(CCCN)=N1 8907AC [1,1,0,0,0,0|2,0,0]=4 68 B10R1.16 CCNCC1=CC=C(C)O1 5879AD [1,1,0,0,0,0|1,1,0]=4 69 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [1,1,0,0,0,0|0,1,1]=4 70 B12R1.1 CCCCOC1=NC=C(Br)C=N1 Z8409 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.1 CCCCOC1=NC=C(N)C=C1 7710AB [0,1,0,0,0,1|2,0,0]=4 72 B12R1.1 N(CCC)CC1=CC=C(Cl)C=C1 5502AE [0,1,0,0,0,1|2,0,0]=4 73 B12R1.1 OCCCCC1=CC=C(Br)C=C1 2484AJ [0,1,0,0,0,1|2,0,0]=4 74 B12R1.8 CCCCCCC1=CC=NC=C1 2681AB [0,1,0,0,0,1|1,0,0]=3 75 B12R1.8 CCCCCC[N+]1=CC=CC=C1 4881AL [0,1,0,0,0,1|2,0,0]=4 76 B12R1.8 CNCCCOC1=CC=CC=C1 5970AA [0,1,0,0,0,1|2,0,0]=4 77 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [0,1,0,0,0,1|2,0,0]=4 78 B12R1.8 ClCCCCOC1=CC=CC=C1 U779 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.8 NCCCCOC1=CC=CC=C1 V3692 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.8 NCCCNCC1=CC=CN=C1 7190AC [0,1,0,0,0,1|2,0,0]=4 81 B12R1.8 NCCOCCC1=CC=CC=C1 0341AD [0,1,0,0,0,1|2,0,0]=4 82 B12R1.8 OCCSCCC1=CC=NC=C1 9675AE [0,1,0,0,0,1|2,0,0]=4 83 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,1,0,0,0,1|1,0,1]=4 84 B12R1.28 CCCCCC1=CC=CC(=O)O1 6874AL [0,1,0,0,0,1|0,1,0]=3 85 B12R1.28 CCCCNC1=NC(Cl)=NC=C1 V7175 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.28 CCCCOC1=CC=CC(N)=C1 7849AD [0,1,0,0,0,1|2,0,0]=4 87 B12R1.28 CCCNCC1=CC=CC(F)=C1 V8909 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.30 CCCCC(=O)C1=CC=CN=C1 8729AA [0,1,0,0,0,1|1,0,1]=4 89 B12R1.30 CCCCC(=O)C1=CC=NC=C1 8730AA [0,1,0,0,0,1|1,0,1]=4 90 B12R1.30 CCCCC(=O)C1=NC=CN=C1 5634AB [0,1,0,0,0,1|1,0,1]=4 91 B12R1.30 CCCCN(N)C1=CC=CC=C1 4924AL [0,1,0,0,0,1|2,0,0]=4 92 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [0,1,0,0,0,1|2,0,0]=4 93 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [0,1,0,0,0,1|2,0,0]=4 94 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [0,1,0,0,0,1|1,0,0]=3 95 B12R1.7 CCCOCCC1=NN=C(N)S1 9445AD [0,2,0,0,0,0|2,0,0]=4 96 B12R1.37 CCCCCCCC1=CNC=C1 6055AL [0,2,0,0,0,0|2,0,0]=4 97 B12R1.37 CNCCCNCC1=CC=CO1 2258AF [0,2,0,0,0,0|0,1,0]=3 98 B12R1.255 CN(C)CCNCC1=CC=CO1 6949AE [0,2,0,0,0,0|1,1,0]=4 99 B12R1.255 CN(C)CCNCC1=CC=CS1 6947AE [0,2,0,0,0,0|1,0,0]=3 100 B12R1.255 NC(=O)CCNCC1=CC=CS1 7885AC [0,2,0,0,0,0|1,0,1]=4 101 B12R1.255 O=C(O)CCCCC1=CC=CS1 M841 [0,2,0,0,0,0|0,0,1]=3 102 B12R1.372 CCCCCCC1=C(Cl)SC=C1 5563AL [0,2,0,0,0,0|2,0,0]=4 103 B12R1.477 NCC(O)COCC1=CC=CO1 5185AE [0,2,0,0,0,0|1,1,0]=4 104 B12R1.477 O=C(CCl)NCCC1=CC=CS1 3929AD [0,2,0,0,0,0|1,0,1]=4 105 B12R1.29 CCCNC(=O)C1=CC=C(Br)S1 2833AF [0,2,0,0,0,0|1,0,1]=4 106 B12R1.105 CC(C)CNCC1=CC=C(Br)S1 0522AA [0,2,0,0,0,0|1,0,0]=3 107 B12R1.130 CC1=C(CNCC(C)O)SC=C1 9628AC [0,2,0,0,0,0|1,0,0]=3 108 B10R1.17 CCCCC1=NC=CC=C1 S413 [0,0,1,1,0,0|1,0,1]=4 109 B10R2.7 C1=CN2CCNCC2=C1 1057AC [1,0,0,1,0,0|2,0,0]=4 110 B10R2.7 C1=NC2=C(CCCC2)N1 1363AB [1,0,0,1,0,0|2,0,0]=4 111 B10R2.7 C1=NC2=C(CNCC2)S1 Z4015 [1,0,0,1,0,0|2,0,0]=4 112 B10R2.136 C1=CSC(C2CCN2)=C1 9646AE [1,0,0,1,0,0|1,0,0]=3 113 B12R2.1 CNC1CCC2=C1C=CC=C2 4152AJ [0,0,0,1,0,1|2,0,0]=4 114 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [0,0,0,1,0,1|2,0,0]=4 115 B12R2.1 NCC1CCC2=C1C=CC=C2 Y9439 [0,0,0,1,0,1|2,0,0]=4 116 B12R2.1 OCC1CCC2=C1C=CC=C2 5329AJ [0,0,0,1,0,1|2,0,0]=4 117 B12R2.2 C1=CC(C2CCNC2)=CC=N1 3704AC [0,0,0,1,0,1|2,0,0]=4 118 B12R2.2 C1=CC(C2CCNC2)=CC=N1 X4189 [0,0,0,1,0,1|2,0,0]=4 119 B12R2.2 C1=CC(C2CCNC2)=CN=C1 5164AH [0,0,0,1,0,1|2,0,0]=4 120 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [0,0,0,1,0,1|1,0,0]=3 121 B12R2.2 C1=CC=C(C2CCNC2)C=C1 0848AF [0,0,0,1,0,1|2,0,0]=4 122 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [0,0,0,1,0,1|2,0,0]=4 123 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 W8786 [0,0,0,1,0,1|2,0,0]=4 124 B12R2.2 C1=CC=C([S+]2CCCC2)C=C1 0152AF [0,0,0,1,0,1|2,0,0]=4 125 B12R2.2 C1=CN=CC(C2CCNC2)=C1 X9976 [0,0,0,1,0,1|2,0,0]=4 126 B12R2.2 C1=CN=CC(N2CCCC2)=C1 V3442 [0,0,0,1,0,1|2,0,0]=4 127 B12R2.2 C1=NC=C(C2CCNC2)N=C1 4884AH [0,0,0,1,0,1|2,0,0]=4 128 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [0,0,0,1,0,1|2,0,0]=4 129 B12R2.1081 CC1CNCC2=C1C=CC=C2 1997AA [0,0,0,1,0,1|2,0,0]=4 130 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z3889 [0,0,0,1,0,1|2,0,0]=4 131 B12R2.1081 NC1CCCC2=C1N=CC=C2 Z4574 [0,0,0,1,0,1|2,0,0]=4 132 B12R2.1081 NC1CCCC2=C1N=CC=N2 6875AB [0,0,0,1,0,1|2,0,0]=4 133 B12R2.1081 NC1CCCC2=CC=NC=C21 3016AJ [0,0,0,1,0,1|2,0,0]=4 134 B12R2.1081 NC1CCCC2=NC=CC=C21 5780AH [0,0,0,1,0,1|2,0,0]=4 135 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 B572 [0,0,0,1,0,1|2,0,0]=4 136 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 4707AB [0,0,0,1,0,1|2,0,0]=4 137 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 2977AH [0,0,0,1,0,1|2,0,0]=4 138 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [0,0,0,1,0,1|2,0,0]=4 139 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 6521AD [0,0,0,1,0,1|2,0,0]=4 140 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 Z9695 [0,0,0,1,0,1|2,0,0]=4 141 B12R2.2057 C1=CC=C(CNC2CC2)N=C1 6937AE [0,0,0,1,0,1|2,0,0]=4 142 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 V3942 [0,0,0,1,0,1|2,0,0]=4 143 B12R2.10 NC1=CC=NN1C2CCCC2 X2980 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.315 CCC1NCCC2=C1C=CS2 2715AL [0,1,0,1,0,0|0,0,0]=2 145 B12R2.315 CCC1NCCC2=C1C=CS2 8193AC [0,1,0,1,0,0|0,0,0]=2 146 B12R2.315 NC[C@@H]1CCCN2C=CC=C12 3978AA [0,1,0,1,0,0|2,0,0]=4 147 B12R2.6 BrC1=CC=C(C2OCCO2)S1 4853AE [0,1,0,1,0,0|2,0,0]=4 148 B12R2.6 BrC1=CN(C2CCCC2)N=C1 Z6353 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.6 BrC1=CSC(N2CCCC2)=N1 Z6406 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.6 ClC1=CC=C(C2CCCN2)S1 1784AL [0,1,0,1,0,0|1,0,0]=3 151 B12R2.6 NC1=NNC(C2CCCC2)=C1 2354AB [0,1,0,1,0,0|2,0,0]=4 152 B12R2.6 OC1=CN(C2CCCC2)N=C1 V7625 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.82 O=C1C2=C(CCC1Br)SC=C2 1974AB [0,1,0,1,0,0|1,0,1]=4 154 B12R2.586 BrC1=CN=C2CCCCCN12 V7376 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.114 O=C1CCCC2=C(C=CS2)N1 Z4781 [0,1,0,1,0,0|1,0,1]=4 156 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 1904AJ [0,1,0,1,0,0|1,0,1]=4