0 B8R1.8 BrCCN1C=CC=N1 CS-0040580 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 CCCC1=CC=CS1 CS-0138003 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCCC1=NC=CN1 CS-W013667 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CCCC1=NC=CS1 CS-0152406 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.8 CCCC1=NCCN1 CS-0119918 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 CCCN1C=CC=N1 CS-0119090 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 CCCN1C=CN=C1 CS-W016625 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 CNCC1=CC=CO1 CS-0187786 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 CNCC1=CC=CS1 CS-W018825 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 COCC1=CNN=C1 CS-0051143 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 COCN1C=CN=C1 CS-W019016 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 ClCCC1=CC=CS1 CS-0252865 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 ClCCN1C=CC=C1 CS-0312950 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 ClCCN1C=CC=N1 CS-0070112 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.8 ClCCN1C=CN=C1 CS-W021201 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 ClCCN1C=NC=N1 CS-0170823 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.8 N#CCC1=CNC=N1 CS-0052326 [0,0,0,0,0,0|0,0,4]=4 17 B8R1.8 N#CCC1=CSC=C1 CS-0040874 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.8 N#CCN1C=CN=C1 CS-W021375 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.8 N#CCN1C=NC=N1 CS-0158527 [0,0,0,0,0,0|1,0,3]=4 20 B8R1.8 NCCC1=CC=CO1 CS-B1143 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.8 NCCC1=CC=CS1 CS-W016557 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.8 NCCC1=CN=CN1 CS-4697 [0,0,0,0,0,0|0,0,0]=0 23 B8R1.8 NCCC1=CN=CN1 CS-W020699 [0,0,0,0,0,0|0,0,0]=0 24 B8R1.8 NCCC1=CN=CS1 CS-0054979 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.8 NCCC1=CNN=C1 CS-0205760 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 NCCC1=CNN=C1 CS-0213339 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.8 NCCC1=CSC=C1 CS-0040873 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.8 NCCC1=CSC=C1 CS-W005499 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.8 NCCC1=NC=CN1 CS-W007216 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.8 NCCC1=NC=CS1 CS-0213373 [0,0,0,0,0,0|2,0,1]=3 31 B8R1.8 NCCC1=NNC=N1 CS-0340186 [0,0,0,0,0,0|1,0,2]=3 32 B8R1.8 NCCN1C=CC=C1 CS-0072896 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 NCCN1C=CN=C1 CS-0045185 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.8 NCCN1C=CN=C1 CS-0085465 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.8 NCCN1C=CN=C1 CS-W005094 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.8 NCCN1C=CN=N1 CS-0047077 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.8 NCCN1C=NC=N1 CS-0005461 [0,0,0,0,0,0|1,0,1]=2 38 B8R1.8 NNCC1=CC=CS1 CS-0240121 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.8 OCCC1=CC=CS1 CS-W020421 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.8 OCCC1=CN=CN1 CS-0046255 [0,0,0,0,0,0|1,0,0]=1 41 B8R1.8 OCCC1=CNN=C1 CS-W004817 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.8 OCCC1=CSC=C1 CS-W002051 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.8 OCCN1C=CC=N1 CS-0155605 [0,0,0,0,0,0|3,0,1]=4 44 B8R1.8 OCCN1C=CN=C1 CS-W016617 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.8 OCCN1C=CN=N1 CS-0095270 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.8 OCCN1C=NC=N1 CS-0179616 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.8 O\N=C\C1=CC=CN1 CS-0036536 [0,0,0,0,0,0|3,0,1]=4 48 B7R1.1 CCC1=CC=CN1 CS-0198957 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.1 CCC1=CC=CO1 CS-W013731 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 CCC1=CN=CN1 CS-0055072 [1,0,0,0,0,0|0,0,0]=1 51 B7R1.1 CCC1=CNN=C1 CS-0208841 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 CCC1=NC=CN1 CS-0111073 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 CCC1=NC=CN1 CS-W013728 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 CCC1=NN=CO1 CS-0028803 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.1 CCN1C=CC=C1 CS-0319715 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 CCN1C=CC=N1 CS-0119091 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 CCN1C=CN=C1 CS-W011340 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.1 COC1=CC=CS1 CS-W001141 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 COC1=CNN=C1 CS-0050823 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 COC1=CSC=C1 CS-W008023 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 CSC1=CC=CS1 CS-W013432 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 ClCC1=CN=CN1 CS-W005424 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.1 ClCC1=CN=CS1 CS-W006753 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.1 ClCC1=CSC=N1 CS-W010784 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 N#CC1=CC=CN1 CS-D0926 [1,0,0,0,0,0|1,0,2]=4 66 B7R1.1 N#CC1=CN=CS1 CS-W006024 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.1 NCC1=CC=CN1 CS-W003910 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.1 NCC1=CC=CS1 CS-W007649 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.1 NCC1=CC=NO1 CS-0067551 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.1 NCC1=CN=CN1 CS-W019760 [1,0,0,0,0,0|0,0,0]=1 71 B7R1.1 NCC1=CN=CN1 CS-W020523 [1,0,0,0,0,0|0,0,0]=1 72 B7R1.1 NCC1=CN=CS1 CS-W005433 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.1 NCC1=CN=CS1 CS-W008986 [1,0,0,0,0,0|1,0,0]=2 74 B7R1.1 NCC1=CN=NN1 CS-0040886 [1,0,0,0,0,0|1,0,0]=2 75 B7R1.1 NCC1=CNN=C1 CS-0052529 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 NCC1=COC=C1 CS-0155527 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.1 NCC1=COC=N1 CS-W022227 [1,0,0,0,0,0|1,0,1]=3 78 B7R1.1 NCC1=CON=C1 CS-0074165 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.1 NCC1=CSC=C1 CS-0063211 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 NCC1=CSC=C1 CS-W002779 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 NCC1=CSC=N1 CS-0038080 [1,0,0,0,0,0|1,0,1]=3 82 B7R1.1 NCC1=NC=CN1 CS-0037877 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 NCC1=NC=CO1 CS-0127896 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.1 NCC1=NC=CS1 CS-0053668 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.1 NCC1=NC=CS1 CS-0054610 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.1 NCC1=NC=CS1 CS-W013635 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.1 NCC1=NC=NN1 CS-0432826 [1,0,0,0,0,0|1,0,1]=3 88 B7R1.1 NCC1=NNC=C1 CS-W019647 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.1 NCC1=NOC=N1 CS-0208528 [1,0,0,0,0,0|2,0,1]=4 90 B7R1.1 O=CC1=CC=CN1 CS-D0925 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.1 O=CC1=CN=CO1 CS-W000738 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.1 O=CC1=CN=CS1 CS-D0828 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.1 O=CC1=CN=NN1 CS-0147648 [1,0,0,0,0,0|2,0,1]=4 94 B7R1.1 OCC1=CC=CS1 CS-0022380 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.1 OCC1=CC=NO1 CS-D0212 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.1 OCC1=CC=NS1 CS-0215637 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.1 OCC1=CN=CN1 CS-0008531 [1,0,0,0,0,0|1,0,0]=2 98 B7R1.1 OCC1=CN=CN1 CS-W013364 [1,0,0,0,0,0|1,0,0]=2 99 B7R1.1 OCC1=CN=CO1 CS-W003570 [1,0,0,0,0,0|2,0,0]=3 100 B7R1.1 OCC1=CN=CS1 CS-W013621 [1,0,0,0,0,0|2,0,0]=3 101 B7R1.1 OCC1=CNN=C1 CS-W009163 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.1 OCC1=COC=C1 CS-W007708 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.1 OCC1=COC=N1 CS-0037571 [1,0,0,0,0,0|2,0,1]=4 104 B7R1.1 OCC1=CSC=C1 CS-W002098 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 OCC1=CSC=N1 CS-W003988 [1,0,0,0,0,0|2,0,1]=4 106 B7R1.1 OCC1=NC=CN1 CS-0099374 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.1 OCN1C=NC=N1 CS-0155482 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.7 CC1=NOC(CCN)=N1 CS-0075744 [0,1,0,0,0,0|1,0,1]=3 109 B9R1.7 CCCC1=CC(N)=NN1 CS-W022425 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.7 CCCC1=CC=C(Br)S1 CS-0138004 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.7 CCCC1=NN=C(O)O1 CS-0297303 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.7 NC1=NC=C(CCO)S1 CS-0158324 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.7 NCCC1=CC=C(Br)S1 CS-0157331 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.7 OCCC1=CC(Br)=NO1 CS-0112262 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.11 CCC(N)C1=CC=CO1 CS-0368793 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.11 CCC(N)C1=CC=CS1 CS-0311929 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.11 COC(=O)C1=CN=CN1 CS-W002529 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.11 NC(CO)C1=CC=CS1 CS-0158463 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.11 NCC(O)C1=CC=CO1 CS-0038432 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.11 NNC(=O)C1=CC=CN1 CS-0171531 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.12 CCCCC1=CC=CS1 CS-0182118 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.12 CCCCC1=CSC=C1 CS-W016450 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.12 CCOCC1=CC=CO1 CS-W018955 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.12 NCCCN1C=CN=C1 CS-0072105 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.12 OCCCC1=CC=CO1 CS-0568707 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.12 OCCCC1=CC=CS1 CS-0158400 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.12 OCCCC1=CN=CN1 CS-0197604 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.12 OCCCN1C=CN=C1 CS-0615283 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.13 CC(C)SC1=CN=CN1 CS-0442553 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.13 NC(=O)CC1=CC=CS1 CS-0149944 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.13 O=C(O)CC1=CN=CN1 CS-W007686 [0,1,0,0,0,0|1,0,1]=3 132 B9R1.33 CC1=C(CCO)SC=N1 CS-W016411 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.33 CC1=NC=CN1CCN CS-0152771 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.33 CN1C=NC=C1CCO CS-0159282 [0,1,0,0,0,0|1,0,0]=2 135 B9R2.2 C1=CNC(C2CC2)=N1 CS-W001063 [0,0,0,1,0,0|3,0,0]=4 136 B9R2.2 C1=NC=C(C2CC2)N1 CS-W000144 [0,0,0,1,0,0|1,0,0]=2 137 B9R2.2 C1=NNC=C1C2CC2 CS-0136307 [0,0,0,1,0,0|3,0,0]=4 138 B9R2.3 C1=CN2CCCC2=N1 CS-0100195 [0,0,0,1,0,0|3,0,0]=4 139 B9R2.3 C1=NC2=C(CNC2)S1 CS-0098308 [0,0,0,1,0,0|3,0,0]=4 140 B9R2.3 C1=NN2CCNC2=C1 CS-0437400 [0,0,0,1,0,0|2,0,1]=4 141 B9R2.3 C1=NNC2=C1CCC2 CS-W000731 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.8 BrCCC1=CC=CC=N1 CS-W003488 [0,0,0,0,0,1|2,0,1]=4 144 B9R1.8 BrCCC1=CC=NC=C1 CS-0161004 [0,0,0,0,0,1|2,0,0]=3 145 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.8 CCCC1=CN=CC=C1 CS-0359933 [0,0,0,0,0,1|2,0,0]=3 147 B9R1.8 CCOC1=NC=CN=C1 CS-W013527 [0,0,0,0,0,1|2,0,1]=4 148 B9R1.8 CNCC1=CC=CN=C1 CS-0020099 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.8 CNCC1=CC=NC=C1 CS-0150998 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.8 CNCC1=CC=NC=C1 CS-0172467 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.8 ClCCC1=CC=CC=C1 CS-W016446 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.8 ClCCC1=NC=CC=C1 CS-0096286 [0,0,0,0,0,1|2,0,1]=4 153 B9R1.8 ICCC1=CC=CC=C1 CS-W012940 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.8 N#CCC1=CC=CN=C1 CS-W009194 [0,0,0,0,0,1|1,0,2]=4 155 B9R1.8 N#CCC1=CC=NC=C1 CS-0130528 [0,0,0,0,0,1|1,0,2]=4 156 B9R1.8 N#CCC1=CC=NC=C1 CS-W021458 [0,0,0,0,0,1|1,0,2]=4 157 B9R1.8 N#CCC1=CN=CC=N1 CS-0053750 [0,0,0,0,0,1|0,0,3]=4 158 B9R1.8 NCCC1=CC=CC=N1 CS-0028882 [0,0,0,0,0,1|1,0,1]=3 159 B9R1.8 NCCC1=CC=CC=N1 CS-W005000 [0,0,0,0,0,1|1,0,1]=3 160 B9R1.8 NCCC1=CC=CN=C1 CS-0514591 [0,0,0,0,0,1|1,0,0]=2 161 B9R1.8 NCCC1=CC=NC=C1 CS-W013547 [0,0,0,0,0,1|1,0,0]=2 162 B9R1.8 NCCC1=CCCCC1 CS-0072656 [0,0,0,0,0,1|2,0,1]=4 163 B9R1.8 NCCC1=CN=CC=C1 CS-W008641 [0,0,0,0,0,1|1,0,0]=2 164 B9R1.8 NNCC1=CC=CC=C1 CS-0013904 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.8 NNCC1=CC=CC=C1 CS-W010888 [0,0,0,0,0,1|3,0,0]=4 167 B9R1.8 NNCC1=CC=CC=N1 CS-0155841 [0,0,0,0,0,1|2,0,1]=4 168 B9R1.8 NNCC1=NC=CC=C1 CS-0052228 [0,0,0,0,0,1|2,0,1]=4 169 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.8 NOCC1=CN=CC=C1 CS-0156816 [0,0,0,0,0,1|2,0,0]=3 172 B9R1.8 OCCC1=CC=CC=C1 CS-B1821 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.8 OCCC1=CC=CN=C1 CS-0139429 [0,0,0,0,0,1|2,0,0]=3 174 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.8 OCCC1=CN=CC=N1 CS-W000722 [0,0,0,0,0,1|1,0,1]=3 176 B9R1.8 OCCC1=NC=CC=C1 CS-0129864 [0,0,0,0,0,1|2,0,1]=4 177 B6R0.6 C=CCCCCN CS-0210385 [1,0,1,0,0,0|1,0,1]=4 178 B6R0.6 CCC\C=C\C=O CS-0099263 [1,0,1,0,0,0|2,0,0]=4 179 B6R1.2 BrC1=CN=CN1 CS-W002226 [2,0,0,0,0,0|1,0,0]=3 180 B6R1.2 BrC1=CN=CO1 CS-0469695 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 BrC1=CN=CS1 CS-D1067 [2,0,0,0,0,0|2,0,0]=4 182 B6R1.2 BrC1=CN=NN1 CS-0038639 [2,0,0,0,0,0|2,0,0]=4 183 B6R1.2 CC1=CC=CN1 CS-W011360 [2,0,0,0,0,0|1,0,0]=3 184 B6R1.2 CC1=CC=CS1 CS-W011331 [2,0,0,0,0,0|2,0,0]=4 185 B6R1.2 CC1=CC=NO1 CS-0085310 [2,0,0,0,0,0|2,0,0]=4 186 B6R1.2 CC1=CN=CN1 CS-D1459 [2,0,0,0,0,0|0,0,0]=2 187 B6R1.2 CC1=CN=CS1 CS-W007489 [2,0,0,0,0,0|1,0,0]=3 188 B6R1.2 CC1=CN=NN1 CS-W004917 [2,0,0,0,0,0|1,0,0]=3 189 B6R1.2 CC1=CNN=C1 CS-4303 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 CC1=COC=N1 CS-0028372 [2,0,0,0,0,0|1,0,1]=4 191 B6R1.2 CC1=CSC=N1 CS-W001245 [2,0,0,0,0,0|1,0,1]=4 192 B6R1.2 CC1=NC=CN1 CS-W019983 [2,0,0,0,0,0|2,0,0]=4 193 B6R1.2 CC1=NN=CN1 CS-M1664 [2,0,0,0,0,0|1,0,0]=3 194 B6R1.2 CC1=NN=CO1 CS-W018813 [2,0,0,0,0,0|2,0,0]=4 195 B6R1.2 CC1=NON=C1 CS-0063186 [2,0,0,0,0,0|1,0,1]=4 196 B6R1.2 CN1C=CN=C1 CS-0188308 [2,0,0,0,0,0|2,0,0]=4 197 B6R1.2 CN1C=NC=N1 CS-D1367 [2,0,0,0,0,0|1,0,1]=4 198 B6R1.2 ClC1=CN=CN1 CS-W018584 [2,0,0,0,0,0|1,0,0]=3 199 B6R1.2 FC1=CN=CN1 CS-0035781 [2,0,0,0,0,0|1,0,0]=3 200 B6R1.2 IC1=CN=CN1 CS-W002802 [2,0,0,0,0,0|1,0,0]=3 201 B6R1.2 NC1=CC=NN1 CS-0032811 [2,0,0,0,0,0|2,0,0]=4 202 B6R1.2 NC1=CC=NO1 CS-W005361 [2,0,0,0,0,0|2,0,0]=4 203 B6R1.2 NC1=CC=NS1 CS-0160228 [2,0,0,0,0,0|2,0,0]=4 204 B6R1.2 NC1=CN=CS1 CS-W006568 [2,0,0,0,0,0|1,0,0]=3 205 B6R1.2 NC1=CN=NS1 CS-W013708 [2,0,0,0,0,0|2,0,0]=4 206 B6R1.2 NC1=CNC=N1 CS-0054304 [2,0,0,0,0,0|0,0,2]=4 207 B6R1.2 NC1=CNN=C1 CS-W008242 [2,0,0,0,0,0|2,0,0]=4 208 B6R1.2 NC1=CON=C1 CS-0018833 [2,0,0,0,0,0|2,0,0]=4 209 B6R1.2 NC1=CON=C1 CS-W004673 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 NC1=CSC=C1 CS-0167153 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 NC1=CSC=C1 CS-D0258 [2,0,0,0,0,0|2,0,0]=4 212 B6R1.2 NC1=CSC=C1 CS-D0330 [2,0,0,0,0,0|2,0,0]=4 213 B6R1.2 NC1=NC=CN1 CS-0054070 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 NC1=NC=CN1 CS-W002088 [2,0,0,0,0,0|2,0,0]=4 215 B6R1.2 NC1=NC=NS1 CS-0037734 [2,0,0,0,0,0|1,0,1]=4 216 B6R1.2 NC1=NC=NS1 CS-W003907 [2,0,0,0,0,0|1,0,1]=4 217 B6R1.2 NC1=NN=CS1 CS-W019584 [2,0,0,0,0,0|2,0,0]=4 218 B6R1.2 NN1C=CN=C1 CS-0112886 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.1 CC1=CC=C(CN)O1 CS-0188122 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.1 CC1=CC=C(CN)S1 CS-0035951 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.1 CC1=CC=C(CN)S1 CS-0036528 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.1 CC1=CSC(CN)=C1 CS-0626196 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.1 CC1=NC(CN)=CS1 CS-0309751 [1,1,0,0,0,0|1,0,1]=4 224 B8R1.1 CC1=NC=C(C=O)N1 CS-0186659 [1,1,0,0,0,0|1,0,1]=4 225 B8R1.1 CC1=NC=C(CO)O1 CS-0061386 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.1 CC1=NC=C(CO)S1 CS-0152781 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.1 CC1=NN=C(CN)N1 CS-0196595 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.1 CC1=NOC(CN)=C1 CS-0085262 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.1 CC1=NOC(CN)=C1 CS-W004628 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.1 CCC1=CC(=N)NN1 CS-W016620 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.1 CCC1=CC=C(Br)S1 CS-0187787 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.1 CCC1=CN=C(N)S1 CS-W022373 [1,1,0,0,0,0|1,0,0]=3 233 B8R1.1 CCC1=CSC(N)=N1 CS-0465258 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.1 CCC1=NC(Br)=NO1 CS-0259269 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.1 CCC1=NC(N)=NO1 CS-0308504 [1,1,0,0,0,0|1,0,1]=4 236 B8R1.1 CCC1=NC=C(C)N1 CS-W011276 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.1 CCC1=NN=C(N)O1 CS-0072488 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.1 CCC1=NN=C(N)S1 CS-0099172 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.1 CN1C=C(CN)C=N1 CS-0045012 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.1 CN1C=C(CN)C=N1 CS-0053646 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.1 CN1C=C(CN)C=N1 CS-W020720 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.1 CN1C=NC(CN)=C1 CS-0053655 [1,1,0,0,0,0|0,0,2]=4 243 B8R1.1 CN1C=NC(CN)=C1 CS-0053657 [1,1,0,0,0,0|0,0,2]=4 244 B8R1.1 ClCC1=CN=C(Cl)S1 CS-W002731 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.1 NC1=NC=C(CO)S1 CS-0060290 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.1 NCC1=CC(Br)=CO1 CS-0527193 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.1 NCC1=CC(Br)=CS1 CS-0041883 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.1 NCC1=CC(Br)=CS1 CS-0053205 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.1 NCC1=CC(Br)=NO1 CS-0268561 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.1 NCC1=CC(Br)=NO1 CS-W021086 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.1 NCC1=CC=C(Br)O1 CS-0514502 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.1 NCC1=CC=C(Br)S1 CS-0053898 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.1 NCC1=CC=C(Cl)S1 CS-0053153 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.1 NCC1=CC=C(Cl)S1 CS-0433217 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.1 NCC1=CN=C(Br)S1 CS-0059795 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.1 NCC1=CN=C(Br)S1 CS-0162331 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.1 NCC1=CN=C(Cl)S1 CS-W005024 [1,1,0,0,0,0|1,0,0]=3 258 B8R1.1 OCC1=CN=C(Br)S1 CS-W008914 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.1 OCC1=CN=C(Cl)S1 CS-0067979 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.7 CC(=O)C1=CC=CN1 CS-W013672 [1,1,0,0,0,0|1,0,1]=4 261 B8R1.7 CC(=O)C1=CN=CN1 CS-W005870 [1,1,0,0,0,0|0,0,1]=3 262 B8R1.7 CC(=O)C1=CN=CS1 CS-0171646 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.7 CC(C)C1=CNN=C1 CS-0273870 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.7 CC(C)C1=NC=CN1 CS-W001201 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.7 CC(C)N1C=CN=C1 CS-W021343 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.7 CC(N)C1=CC=CO1 CS-0247307 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.7 CC(N)C1=CC=CS1 CS-0158749 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.7 CC(N)C1=CC=CS1 CS-W016558 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.7 CC(N)C1=CN=CN1 CS-0062144 [1,1,0,0,0,0|0,0,0]=2 270 B8R1.7 CC(N)C1=CSC=C1 CS-D0194 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.7 CC(O)C1=CC=CO1 CS-0378111 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.7 CC(O)C1=CSC=C1 CS-0183538 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.7 C[C@@H](N)C1=CC=CO1 CS-0131598 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.7 C[C@@H](N)C1=CC=CS1 CS-0131606 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.7 C[C@@H](N)C1=CC=CS1 CS-0158748 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.7 C[C@@H](O)C1=CC=CS1 CS-0649729 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.7 C[C@H](N)C1=CC=CS1 CS-0106541 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.7 C[C@H](O)C1=CC=CS1 CS-0661646 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.7 NC(=O)C1=CC=CN1 CS-0155549 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.7 NC(=O)C1=CN=CN1 CS-0149966 [1,1,0,0,0,0|0,0,1]=3 281 B8R1.7 NC(=O)C1=NN=CN1 CS-W021700 [1,1,0,0,0,0|1,0,1]=4 282 B8R1.7 O=C(O)C1=CN=CN1 CS-W007695 [1,1,0,0,0,0|1,0,1]=4 283 B8R1.7 O=[N+]([O-])C1=CN=CN1 CS-W019995 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.11 C#CC1=CN=CN1C CS-0261504 [1,1,0,0,0,0|0,0,2]=4 285 B8R1.11 CC1=C(C#N)NC=N1 CS-0279419 [1,1,0,0,0,0|0,0,2]=4 286 B8R1.11 CC1=C(C=O)NC=N1 CS-W007954 [1,1,0,0,0,0|1,0,1]=4 287 B8R1.11 CC1=C(CN)C=CO1 CS-0216755 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.11 CC1=NON=C1CN CS-0040298 [1,1,0,0,0,0|1,0,1]=4 289 B8R1.11 CCC1=C(Br)SC=C1 CS-0106558 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.11 CCN1C=CN=C1Br CS-0188399 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.11 CCN1C=CN=C1C CS-0094390 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.11 CN1C=CC=C1CN CS-0132184 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.11 CN1C=NC=C1C=O CS-W011279 [1,1,0,0,0,0|1,0,1]=4 294 B8R1.11 CN1C=NC=C1CCl CS-0461486 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.11 CN1C=NC=C1CN CS-0053654 [1,1,0,0,0,0|0,0,0]=2 296 B8R1.11 CN1C=NC=C1CO CS-0035532 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.11 CN1C=NN=C1CO CS-0097709 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.11 CN1N=CC=C1CN CS-0053823 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.11 NCC1=C(Br)C=CS1 CS-0271059 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.11 NCC1=C(Cl)C=CS1 CS-0053372 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.11 NCC1=C(Cl)C=CS1 CS-0063152 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.11 OCC1=C(Br)N=CS1 CS-W021101 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.11 OCC1=C(Cl)N=CS1 CS-0378464 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.1 CC1=NC=C(CCO)C=C1 CS-0152786 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.1 CCCC1=CN=C(Cl)N=C1 CS-0045944 [0,1,0,0,0,1|1,0,1]=4 306 B10R1.1 NCCC1=CC=C(Br)C=C1 CS-W009109 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.1 NCCC1=CC=C(O)C=C1 CS-W007606 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.1 NCCC1=CC=C(O)C=C1 CS-W017539 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.1 NNCC1=CN=C(Cl)C=C1 CS-0529787 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.1 OCCC1=CC=C(Cl)N=C1 CS-0040781 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.15 CCC(N)C1=CC=NC=C1 CS-0197312 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.15 CCC(N)C1=CN=CC=C1 CS-0324734 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.15 NC(CO)C1=CC=NC=C1 CS-0089931 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.15 NCC(N)C1=CC=CC=C1 CS-0156509 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.15 NCC(O)C1=NC=CC=C1 CS-0070461 [0,1,0,0,0,1|1,0,1]=4 316 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CS-W016520 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.15 NC[C@H](O)C1=CC=CN=C1 CS-W021131 [0,1,0,0,0,1|1,0,0]=3 319 B10R1.15 N[C@H](CO)C1=CC=NC=C1 CS-0135383 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.17 CCCCC1=CC=NC=C1 CS-0186972 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.17 CCNCC1=CC=CN=C1 CS-0088368 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.17 NCCCC1=CC=NC=C1 CS-W005333 [0,1,0,0,0,1|1,0,0]=3 323 B10R1.17 NCCCC1=CN=CC=C1 CS-0158399 [0,1,0,0,0,1|1,0,0]=3 324 B10R1.17 NCCCC1=NC=CC=C1 CS-0006435 [0,1,0,0,0,1|1,0,1]=4 325 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.17 NCCOC1=CC=CC=C1 CS-W002257 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.17 NCCOC1=CN=CC=C1 CS-W003824 [0,1,0,0,0,1|1,0,0]=3 328 B10R1.18 NC(=O)CC1=CC=CN=C1 CS-0008758 [0,1,0,0,0,1|1,0,1]=4 329 B10R1.18 NC(=O)CC1=CC=NC=C1 CS-0216228 [0,1,0,0,0,1|1,0,1]=4 330 B10R1.130 CC1=NN(CCN)C(C)=N1 CS-0080034 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.11 CCOC(=O)C1=CN=CN1 CS-W002941 [0,2,0,0,0,0|1,0,1]=4 332 B10R1.27 N[C@H](CO)CC1=CNC=N1 CS-W014949 [0,2,0,0,0,0|0,0,2]=4 333 B10R1.29 CC1=NC=CN1CCCN CS-0152772 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.66 O=C(O)CCC1=CC=CN1 CS-W021754 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.66 O=C(O)CCC1=CN=CN1 CS-0038274 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.66 O=C(O)CCC1=CN=CS1 CS-0159433 [0,2,0,0,0,0|2,0,0]=4 337 B8R1.2 NCC1=CC=CN=C1 CS-W019701 [0,0,1,1,0,0|1,0,1]=4 338 B8R1.2 NCC1=CC=NC=C1 CS-W005997 [0,0,1,1,0,0|1,0,1]=4 339 B8R1.2 NCC1=CC=NC=C1 CS-W007632 [0,0,1,1,0,0|1,0,1]=4 340 B8R1.2 NCC1=CC=NC=N1 CS-0048728 [0,0,1,1,0,0|0,0,2]=4 341 B8R1.2 NCC1=NC=NC=C1 CS-W018555 [0,0,1,1,0,0|0,0,2]=4 342 B8R1.2 N\N=C1\C=CN=CN1 CS-0106397 [0,0,1,1,0,0|1,0,1]=4 343 B8R1.5 NC1=C(N)N=CC=N1 CS-W003425 [0,0,1,1,0,0|1,0,1]=4 344 B8R1.5 NC1=CC=CN=C1N CS-D1498 [0,0,1,1,0,0|0,0,2]=4 345 B8R1.4 NC1=CN=CC(N)=C1 CS-W005805 [0,0,1,1,0,0|0,0,2]=4 346 B8R1.4 NC1=CN=CC(N)=N1 CS-0099508 [0,0,1,1,0,0|1,0,1]=4 347 B8R1.4 NC1=CN=CC(N)=N1 CS-W006706 [0,0,1,1,0,0|1,0,1]=4 348 B8R1.4 O=C1CCNC(=O)N1 CS-W013642 [0,0,1,1,0,0|2,0,0]=4 349 B10R2.7 C1=CC2=C(C=C1)NCC2 CS-W009145 [0,0,0,1,0,1|2,0,0]=4 350 B10R2.7 C1=CC2=C(C=N1)NCC2 CS-W021490 [0,0,0,1,0,1|1,0,0]=3 351 B10R2.7 C1=CC2=C(CCC2)N=C1 CS-W001977 [0,0,0,1,0,1|2,0,0]=4 352 B10R2.7 C1=CN=C2CCNC2=C1 CS-0008635 [0,0,0,1,0,1|1,0,1]=4 353 B10R2.7 C1=CN=C2NCCC2=C1 CS-B0149 [0,0,0,1,0,1|1,0,0]=3 354 B10R2.7 C1=NC=C2CCNC2=C1 CS-0197578 [0,0,0,1,0,1|1,0,0]=3 355 B10R2.7 C1=NC=C2CCNC2=C1 CS-0271920 [0,0,0,1,0,1|1,0,0]=3 356 B10R2.7 C1=NC=C2NCCC2=C1 CS-0157264 [0,0,0,1,0,1|1,0,0]=3 357 B10R2.2 SC1CN2C=NC=[N+]2C1 CS-W006177 [0,1,0,1,0,0|2,0,0]=4 358 B10R2.14 N=C1NC(C2CC2)=CS1 CS-0044021 [0,1,0,1,0,0|2,0,0]=4 359 B10R2.14 NC1=NN=C(C2CC2)N1 CS-0199435 [0,1,0,1,0,0|2,0,0]=4 360 B10R2.136 C1=CN(C2CNC2)C=N1 CS-W020483 [0,1,0,1,0,0|2,0,0]=4