0 B9R1.41 CC1=C(C(=O)O)C=CO1 CS-0095991 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.41 CC1=C(C(=O)O)N=CS1 CS-W004929 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 CC1=C(C(=O)O)NC=C1 CS-0036145 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.41 CC1=C(C(=O)O)OC=C1 CS-0059276 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.41 CC1=C(C(=O)O)OC=N1 CS-W008834 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.41 CC1=NNC=C1C(=O)O CS-D0839 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.41 CN1C=CN=C1C(=O)O CS-W004706 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.41 NC(=O)C1=CSC=C1Br CS-0086828 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS-W005652 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 CC(=O)C1=CC=NN1 CS-0036771 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.7 CC(=O)C1=CNC=C1 CS-W005542 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 NC(=O)C1=NC=CS1 CS-0030426 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 NC(=O)C1=NN=CN1 CS-W021700 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 O=C(O)C1=COC=N1 CS-W019634 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.7 O=C(O)C1=CSC=N1 CS-W009228 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.11 CC1=NNC=C1C=O CS-W019932 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.11 CN1C=CN=C1C=O CS-W009259 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.11 N#CC1=CC=CN1N CS-0052647 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.59 CC1=C(C(=O)O)OC(Br)=C1 CS-0102950 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.149 COC(=O)C1=C(Br)SC=C1 CS-W018777 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.149 COC(=O)C1=C(C)N=CS1 CS-W002405 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.149 COC(=O)C1=C(Cl)C=CS1 CS-W017390 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.149 COC(=O)C1=C(N)SC=C1 CS-W007343 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.149 COC(=O)C1=CN=CN1C CS-W016465 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.149 COC(=O)C1=CNN=C1C CS-W022835 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.149 COC(=O)C1=COC=C1Br CS-0101706 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.149 COC(=O)C1=CSC=C1Br CS-0030445 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.61 CC(=O)C1=C(F)C=NC=C1 CS-W021221 [0,0,0,0,0,1|2,0,0]=3 31 B10R1.61 CC(=O)C1=C(O)C=NC=C1 CS-B0938 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.61 CC(=O)C1=CC=CC=C1F CS-W020096 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.61 CC(=O)C1=CC=CC=C1N CS-D1191 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.61 CC1=CC=CC=C1C(N)=S CS-W018110 [0,0,0,0,0,1|2,1,0]=4 35 B10R1.61 CC1=CC=CN=C1C(=O)O CS-0063141 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CS-0094470 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.61 NC(=O)C1=CC=CN=C1N CS-M0989 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.61 NC(=O)C1=CC=NC=C1N CS-W005498 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.61 NC1=NC=CC=C1C(=O)O CS-W008765 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS-D0803 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.61 O=C(O)C1=CC=CC=C1Cl CS-B1789 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.61 O=C(O)C1=CC=CC=C1I CS-D0909 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.61 O=C(O)C1=CC=CNC1=O CS-W018547 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.61 O=C(O)C1=CNC=CC1=O CS-W007951 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 CS-0042748 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [0,0,0,0,0,1|2,0,0]=3 47 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS-W013353 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.113 CC(=O)C1=CC=CC(F)=C1 CS-D1392 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS-D0743 [0,0,0,0,0,1|1,0,0]=2 50 B10R1.113 CC(=O)C1=NC(N)=NC=C1 CS-0031410 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS-W021257 [0,0,0,0,0,1|2,0,1]=4 52 B10R1.113 CC1=NC(N(=O)=O)=CC=C1 CS-0044032 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.113 O=C(O)C1=CC=CC(I)=C1 CS-W009273 [0,0,0,0,0,1|3,0,0]=4 54 B7R1.1 O=CC1=CNC=C1 CS-D1061 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.1 O=CC1=CNC=N1 CS-D1058 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.1 O=CC1=COC=C1 CS-M0782 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.1 O=CC1=CSC=N1 CS-W007683 [2,0,0,0,0,0|1,0,1]=4 58 B7R1.1 O=CC1=NC=CN1 CS-W007321 [2,0,0,0,0,0|1,0,0]=3 59 B7R1.4 CN1C=CN=C1Cl CS-0101166 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.4 CN1C=CNC1=N CS-W004745 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.4 CN1C=NC=C1I CS-W006750 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.4 CN1N=CC=C1O CS-W008402 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.11 COC(=O)C1=CN=CO1 CS-0044071 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.11 COC(=O)C1=CN=CS1 CS-M1604 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.11 COC(=O)C1=CNC=C1 CS-W008624 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.11 COC(=O)C1=NC=CN1 CS-W005714 [1,1,0,0,0,0|1,0,0]=3 67 B9R1.11 O=C(CBr)C1=NC=CS1 CS-D0891 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.19 CS(=O)(=O)C1=CC=CS1 CS-0053912 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS-0033728 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.35 CC(=O)C1=CSC(N)=N1 CS-0031411 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.35 CC1=CC=C(C(=O)O)S1 CS-W004720 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.35 NC(=O)C1=CC=C(Br)S1 CS-W015353 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS-B0139 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS-W005615 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.14 CCN1C=CN=C1C=O CS-W005603 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.22 CC1=CC(C)=C(C=O)N1 CS-W007816 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.53 CCC1=NC=CN=C1C(C)=O CS-0096817 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.53 COC1=C(C(=O)O)C=CC=N1 CS-W019566 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.53 COC1=NC=CC=C1C(C)=O CS-W021206 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.53 CSC1=CC=CC=C1C(=O)O CS-W017800 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.53 CSC1=NC=CC=C1C(=O)O CS-0063888 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.53 O=C(O)C1=CC=CC=C1CO CS-0028786 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.156 CC(=O)C1=C(O)C=CC=C1O CS-W019984 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.156 CC1=C(C(=O)O)C(Br)=CC=C1 CS-W007644 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.156 CC1=C(C(=O)O)C(F)=CC=C1 CS-W004739 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O CS-M3425 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 CS-W005743 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.159 CC(=O)C1=CC=CC(N)=C1O CS-W019401 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br CS-0096140 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.159 CC1=C(C(=O)O)C=CN=C1Cl CS-0040466 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.159 CC1=C(O)C=CC=C1C(=O)O CS-W019788 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.159 O=C(O)C1=CC=CC(=O)N1O CS-W019344 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS-W005109 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.166 CC(=O)C1=CC=C(Br)C=C1Cl CS-W019153 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1O CS-0040210 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.166 CC1=CC(Br)=CN=C1C(=O)[O-] CS-0039787 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS-W018148 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O CS-W008346 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.166 CC1=CC(F)=CC=C1C(=O)O CS-0020153 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 CS-M0222 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 CS-W005413 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 CS-W007495 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Br CS-0031412 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.167 CC(=O)C1=CC(F)=CC=C1C CS-0086807 [0,1,0,0,0,1|1,0,0]=3 105 B11R1.167 CC(=O)C1=CC(N)=CC=C1F CS-W007111 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 CS-W019672 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=N1 CS-0061187 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CS-W007887 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.222 CNC(=O)C1=CC=CC=C1O CS-B1147 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS-W022806 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.222 COC(=O)C1=C(I)C=NC=C1 CS-W022833 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.222 COC(=O)C1=CC=CC=C1Br CS-W007744 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.222 COC(=O)C1=CC=CC=C1Cl CS-B1788 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.222 COC(=O)C1=CC=CC=C1F CS-W018052 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.222 COC(=O)C1=CC=CC=C1I CS-W007334 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.222 COC(=O)C1=CC=CC=C1S CS-W017801 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.222 COC(=O)C1=CC=CN=C1Br CS-0096861 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.222 COC(=O)C1=CC=CN=C1F CS-D0953 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.222 COC(=O)C1=CC=CN=C1O CS-0097361 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.222 COC(=O)C1=CC=NC=C1Br CS-W004946 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.222 COC(=O)C1=CC=NC=C1Cl CS-0038405 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.222 COC(=O)C1=NC=CC=C1F CS-0044449 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS-W005607 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 CS-W016243 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.21 CC(=O)C1=CC=C(O)C(Br)=C1 CS-0042105 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS-W022384 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.21 CC1=CC(C(=O)O)=CC=C1N CS-W018121 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.21 CC1=CC=C(C(=O)O)C=C1C CS-W018150 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.23 COC(=O)C1=CC(F)=CC=C1 CS-W019585 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS-W004679 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 CS-B1792 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.23 COC(=O)C1=CC=CC(O)=C1 CS-B0668 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.23 COC(=O)C1=CN=CC(C)=N1 CS-0061379 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS-M1028 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS-D1409 [0,1,0,0,0,1|1,0,0]=3 136 B11R1.23 COC(=O)C1=NC(F)=CC=C1 CS-W005576 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS-W004981 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.23 COC(=O)C1=NC=CC(C)=C1 CS-0040863 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 CS-W012301 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 CS-0041765 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 CS-0030557 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.266 COC1=CC(C(C)=O)=CC=C1 CS-W020599 [0,1,0,0,0,1|1,0,0]=3 143 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 CS-0067117 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.59 COC(=O)C1=C(OC)C=CS1 CS-0042414 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 CS-0038238 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.225 COC(=O)C1=CC(Br)=CN1C CS-0037227 [0,2,0,0,0,0|0,0,0]=2 147 B11R1.199 CCOC(=O)C1=CN=CN1N CS-0061593 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.865 COC(=O)C1=CN=C(S)N1C CS-0035773 [0,2,0,0,0,0|1,0,0]=3 149 B11R1.875 COC(=O)C1=C(C)SC=C1N CS-0101074 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.2 CNC1=CC=CC(Br)=C1 CS-W004947 [0,0,1,1,0,0|1,0,1]=4 151 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [0,0,1,1,0,0|0,0,2]=4 152 B9R1.15 CC1=CC=CC=C1NN CS-W007773 [0,0,1,1,0,0|2,0,0]=4 153 B9R1.15 CNC1=CC=CC=C1F CS-W013511 [0,0,1,1,0,0|1,0,1]=4 154 B9R1.15 CNC1=CC=CC=C1N CS-W015729 [0,0,1,1,0,0|1,0,1]=4 155 B9R1.15 CNC1=CN=CC=C1C CS-M3532 [0,0,1,1,0,0|2,0,0]=4 156 B9R2.3 C1=CN2CCN=C2N1 CS-0071413 [1,0,0,1,0,0|2,0,0]=4 157 B11R2.1 O=C1OCC2=NC=CC=C12 CS-0030457 [0,0,0,1,0,1|2,0,0]=4 158 B11R2.106 O=C1CCCC2=C1C=CO2 CS-W017761 [0,1,0,1,0,0|2,0,0]=4 159 B11R2.106 O=C1N=CNN2C=CC=C12 CS-0037388 [0,1,0,1,0,0|1,0,1]=4 160 B11R1.86 CC(=O)CC1=CC=CC=C1Cl CS-0043797 [0,0,0,0,0,2|2,0,0]=4 161 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS-B0132 [0,0,0,0,0,2|2,0,0]=4