0 B8R1.7 CC(=O)C1=CC=NN1 CS-0036771 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 CC(=O)C1=CNC=C1 CS-W005542 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 CC(C)C1=NNC=C1 CS-0054479 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 N=C(N)N1C=CC=N1 CS-W017748 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.7 NC(=O)C1=NC=CS1 CS-0030426 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.7 NC(=O)C1=NN=CN1 CS-W021700 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.7 O=C(O)C1=COC=N1 CS-W019634 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 O=C(O)C1=CSC=N1 CS-W009228 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 O=C(O)C1=CSN=N1 CS-0038011 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.7 O=[N+]([O-])C1=NNC=C1 CS-W002457 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 CCC1=NN=CO1 CS-0028803 [1,0,0,0,0,0|1,1,1]=4 14 B7R1.1 COC1=NC=CS1 CS-W005816 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.1 ClCC1=NC=CO1 CS-D0011 [1,0,0,0,0,0|1,1,1]=4 16 B7R1.1 N#CC1=CC=CS1 CS-W004699 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.1 N#CC1=NC=CO1 CS-0103521 [1,0,0,0,0,0|1,1,1]=4 18 B7R1.1 NCC1=CC=CS1 CS-W007649 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 NNC1=NC=CS1 CS-W021702 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 O=CC1=CNC=C1 CS-D1061 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 O=CC1=CNC=N1 CS-D1058 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 O=CC1=COC=C1 CS-M0782 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 O=CC1=CSC=N1 CS-W007683 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.1 O=CC1=NC=CN1 CS-W007321 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.1 OCC1=NC=CS1 CS-0028735 [1,0,0,0,0,0|0,0,2]=3 26 B9R1.11 COC(=O)C1=CN=CO1 CS-0044071 [0,1,0,0,0,0|2,1,0]=4 27 B9R1.11 COC(=O)C1=CN=CS1 CS-M1604 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.11 COC(=O)C1=CNC=C1 CS-W008624 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.11 COC(=O)C1=NC=CN1 CS-W005714 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.11 O=C(CBr)C1=NC=CS1 CS-D0891 [0,1,0,0,0,0|0,0,0]=1 31 B9R1.19 CC(C)(C)C1=NC=CN1 CS-0052549 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.19 CS(=O)(=O)C1=CC=CS1 CS-0053912 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 CS-W017078 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS-0033728 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.35 CC(=O)C1=CSC(N)=N1 CS-0031411 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.35 CC(C)C1=NN=C(N)S1 CS-D0154 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.35 CC1=CC(C(=O)O)=NN1 CS-D1083 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.35 CC1=CC(C(=O)O)=NO1 CS-W007575 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.35 CC1=CC=C(C(=O)O)S1 CS-W004720 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.35 CC1=CSC(C(=O)O)=N1 CS-W008124 [0,1,0,0,0,0|1,0,0]=2 41 B9R1.35 CC1=NC(C(=O)O)=CO1 CS-0061380 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.35 N=C1NN=C(C(=O)O)N1 CS-W004714 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.35 NC(=O)C1=CC=C(Br)S1 CS-W015353 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.35 NC(=O)C1=CSC(Br)=N1 CS-0054970 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS-B0139 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS-W005615 [0,1,0,0,0,0|2,1,0]=4 47 B9R1.35 O=C(O)C1=CN=C(Br)S1 CS-D0331 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CS-B1388 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.35 O=C(O)C1=COC(Cl)=N1 CS-W021675 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.35 O=C(O)C1=NC(Br)=CS1 CS-W006047 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.41 CC1=C(C(=O)O)N=CS1 CS-W004929 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.41 CC1=C(C(=O)O)NC=C1 CS-0036145 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.41 CC1=C(C(=O)O)OC=C1 CS-0059276 [0,1,0,0,0,0|2,1,0]=4 54 B9R1.41 CN1C=CN=C1C(=O)O CS-W004706 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.41 NC(=O)C1=C(N)NC=N1 CS-M3470 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [0,0,0,0,0,1|1,0,0]=2 57 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.6 CC(=O)C1=NC=CC=N1 CS-W003508 [0,0,0,0,0,1|1,0,0]=2 59 B9R1.6 CC(C)C1=CC=CC=N1 CS-W019396 [0,0,0,0,0,1|2,0,1]=4 60 B9R1.6 CC(N)C1=NC=CC=C1 CS-M2153 [0,0,0,0,0,1|2,0,1]=4 61 B9R1.6 CC(N)C1=NC=CC=C1 CS-W023139 [0,0,0,0,0,1|2,0,1]=4 62 B9R1.6 C[C@@H](O)C1=NC=CC=C1 CS-0040476 [0,0,0,0,0,1|1,0,2]=4 63 B9R1.6 C[C@H](N)C1=CC=CN=C1 CS-0044516 [0,0,0,0,0,1|2,0,1]=4 64 B9R1.6 N=C(N)C1=NC=CC=N1 CS-M1221 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.6 N=C(N)C1=NC=CN=C1 CS-0018934 [0,0,0,0,0,1|3,0,0]=4 66 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [0,0,0,0,0,1|2,0,0]=3 67 B9R1.6 O=C(O)C1=NC=CN=C1 CS-M0892 [0,0,0,0,0,1|2,0,0]=3 68 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [0,0,0,0,0,1|3,0,0]=4 69 B9R1.13 CC(=O)NC1=NC=CS1 CS-0095600 [0,0,0,0,0,1|0,0,0]=1 70 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,0,1,0,0,0|2,0,0]=4 71 B6R1.2 BrC1=NN=CS1 CS-W007546 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 CC1=CC=CS1 CS-W011331 [2,0,0,0,0,0|1,0,0]=3 73 B6R1.2 CC1=COC=N1 CS-0028372 [2,0,0,0,0,0|2,0,0]=4 74 B6R1.2 CC1=NN=CO1 CS-W018813 [2,0,0,0,0,0|1,1,0]=4 75 B6R1.2 CC1=NNC=N1 CS-M1664 [2,0,0,0,0,0|2,0,0]=4 76 B6R1.2 CN1C=CC=N1 CS-W023191 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.1 CC1=CC=C(C=O)S1 CS-W018539 [1,1,0,0,0,0|1,0,0]=3 78 B8R1.1 NC1=NC=C(C=O)S1 CS-W019930 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.1 O=CC1=CC(Br)=CS1 CS-W005050 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.1 O=CC1=CC(I)=CS1 CS-0041659 [1,1,0,0,0,0|1,0,0]=3 81 B8R1.1 O=CC1=CSC(Br)=N1 CS-W010715 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.1 OCC1=NC=C(Br)S1 CS-0042631 [1,1,0,0,0,0|0,0,2]=4 83 B8R1.8 CCCC1=NC=CN1 CS-W013667 [1,1,0,0,0,0|1,0,1]=4 84 B8R1.8 CNCC1=CC=CS1 CS-W018825 [1,1,0,0,0,0|1,0,1]=4 85 B8R1.8 OCCC1=CC=CS1 CS-W020421 [1,1,0,0,0,0|1,0,1]=4 86 B8R1.11 CN1C=CN=C1C=O CS-W009259 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS-D0744 [0,1,0,0,0,1|1,0,0]=3 89 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 CS-W021203 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.13 CC(=O)C1=CNC(=N)C=C1 CS-0044041 [0,1,0,0,0,1|1,0,1]=4 92 B10R1.13 CC(=O)C1=CNC(=O)C=C1 CS-W003737 [0,1,0,0,0,1|1,0,1]=4 93 B10R1.13 CC(=O)C1=NC=C(C)C=C1 CS-0005383 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-0043751 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS-0007012 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.13 CS(=O)C1=NC=C(Br)C=N1 CS-0096057 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS-W022386 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 CS-D1204 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS-W008708 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS-W018782 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS-W016216 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS-W005396 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS-B0945 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.15 COC(=O)C1=CC=CC=N1 CS-W005458 [0,1,0,0,0,1|1,0,0]=3 105 B10R1.15 COC(=O)C1=CN=CN=C1 CS-D0147 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.15 COC(=O)C1=NC=CN=C1 CS-0080007 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.15 NNC(=O)C1=NC=NC=C1 CS-W022945 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.15 O=C(CBr)C1=CN=CC=C1 CS-W010052 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.61 CC(=O)C1=C(F)C=NC=C1 CS-W021221 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.61 CC(=O)C1=C(O)C=NC=C1 CS-B0938 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.61 CC(=O)C1=CC=CC=C1F CS-W020096 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.61 CC(=O)C1=CC=CC=C1N CS-D1191 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.61 CC1=CC=CN=C1C(=O)O CS-0063141 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.61 NC(=O)C1=CC=CN=C1N CS-M0989 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.61 NC(=O)C1=NC=CNC1=O CS-M1514 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.61 NC1=NC=CC=C1C(=O)O CS-W008765 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.61 NC1=NC=CN=C1C(=O)O CS-W020071 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS-D0803 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.61 O=C(O)C1=NC=CNC1=O CS-W019268 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 CS-0042748 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS-W013353 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.113 CC(=O)C1=CC=CC(F)=C1 CS-D1392 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS-D0743 [0,1,0,0,0,1|1,0,0]=3 125 B10R1.113 CC(=O)C1=NC(N)=NC=C1 CS-0031410 [0,1,0,0,0,1|1,0,0]=3 126 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 CS-0030451 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.113 O=C(O)C1=CC(F)=CN=C1 CS-W016443 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.113 O=C(O)C1=CC(O)=CN=C1 CS-W009148 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 CS-W007003 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS-W006791 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.113 O=C1C=C(C(=O)O)N=CN1 CS-W019789 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.113 O=C1C=NC=C(C(=O)[O-])N1 CS-M0894 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.54 CC(=O)NC1=NC(C)=CS1 CS-W016233 [0,1,0,0,0,1|0,0,0]=2 134 B10R1.11 N#CCC(=O)C1=CC=CN1 CS-0038494 [0,2,0,0,0,0|1,0,1]=4 135 B10R1.11 N#CCC(=O)C1=CC=CO1 CS-W013361 [0,2,0,0,0,0|1,1,0]=4 136 B10R1.14 CC1=NSC(C(=O)NN)=N1 CS-0042198 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.14 CCC(=O)C1=CC=C(Br)S1 CS-0046834 [0,2,0,0,0,0|1,0,0]=3 138 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS-W007392 [0,2,0,0,0,0|1,0,1]=4 139 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS-W022849 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.14 COC(=O)C1=CC=C(C)O1 CS-W005869 [0,2,0,0,0,0|1,1,0]=4 141 B10R1.14 COC(=O)C1=CN(C)C=N1 CS-W023129 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS-W006609 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.14 COC(=O)C1=NC=C(C)S1 CS-W019330 [0,2,0,0,0,0|0,0,0]=2 144 B10R1.14 COC(=O)C1=NNC(=N)N1 CS-W011023 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.149 COC(=O)C1=C(C)N=CS1 CS-W002405 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.149 COC(=O)C1=C(Cl)C=CS1 CS-W017390 [0,2,0,0,0,0|1,0,0]=3 147 B10R1.149 COC(=O)C1=C(Cl)SC=N1 CS-0046259 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.149 COC(=O)C1=NNC=C1Br CS-W019707 [0,2,0,0,0,0|2,0,0]=4 149 B8R1.4 CC1=NC(N)=CN=C1 CS-W005339 [0,0,1,1,0,0|2,0,0]=4 150 B8R1.5 CC1=C(Br)N=CC=C1 CS-W007712 [0,0,1,1,0,0|2,0,0]=4 151 B8R1.5 CC1=C(C)N=CC=C1 CS-W011290 [0,0,1,1,0,0|2,0,0]=4 152 B8R1.5 CC1=NC=CNC1=O CS-W016627 [0,0,1,1,0,0|2,0,0]=4 153 B8R1.2 COC1=CC=CC=N1 CS-W009307 [1,0,0,0,0,1|2,0,0]=4 154 B8R1.2 COC1=CC=CN=N1 CS-W021957 [1,0,0,0,0,1|2,0,0]=4 155 B8R1.2 O=CC1=CC=CC=N1 CS-W007336 [1,0,0,0,0,1|1,0,0]=3 156 B8R1.2 O=CC1=CC=NC=C1 CS-D1135 [1,0,0,0,0,1|2,0,0]=4 157 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [0,0,0,0,0,2|1,0,0]=3 158 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [0,0,0,0,0,2|2,0,0]=4