0 B9R1.35 CC(=O)C1=CC(Br)=CN1 CS-0611923 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(=O)C1=COC(C)=N1 CS-0610300 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=NC(C)=CN1 CS-0214967 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC1=CC(C(=O)O)=CO1 CS-0372581 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 CC1=CC(C(N)=O)=NO1 CS-W006577 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 CC1=NSC(C(N)=O)=N1 CS-0626390 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 NC1=CN=C(C(=O)O)S1 CS-0054696 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 O=C(O)C1=CC(O)=CS1 CS-0217303 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 O=C(O)C1=COC(Br)=C1 CS-W023154 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 O=C1C=C(C(=O)O)CC1 CS-0188012 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 O=C1NC(C(=O)O)=CS1 CS-0530108 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CC1=CC(CBr)=NO1 CS-0085258 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.1 CC1=CC(CO)=NO1 CS-W013653 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.1 CC1=CN=C(C=O)O1 CS-0312389 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.1 CC1=CNC(C=O)=C1 CS-0152852 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.1 CC1=CNC(C=O)=N1 CS-0342324 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.1 CC1=COC(C=O)=C1 CS-0055543 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.1 CC1=NN=C(C=O)S1 CS-0197746 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.1 CC1=NN=C(CO)S1 CS-0187970 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.1 CC1=NNC(C=O)=N1 CS-0374120 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.1 CNC1=NNC(C)=C1 CS-0199468 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.1 NC1=NC(CO)=NN1 CS-0046933 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.1 O=CC1=NN=C(Br)S1 CS-0590072 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.7 C[C@H](N)C1=NNC=C1 CS-0608599 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.14 COC(=O)C1=CC(Cl)=CS1 CS-0049036 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.14 COC(=O)C1=CN=C(C)S1 CS-0187478 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.14 COC(=O)C1=CSC(C)=N1 CS-0152802 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.14 COC(=O)C1=NC(C)=NS1 CS-0036182 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.14 COC(=O)C1=NN=C(N)S1 CS-0565600 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.14 COC(=O)C1=NNC(I)=C1 CS-0048975 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.31 CCN1C=NC(C(=O)O)=C1 CS-0466264 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.31 COC1=CSC(C(=O)O)=C1 CS-0434710 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.31 O=CC1=CC(C(=O)O)=CS1 CS-0372656 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.58 CN1N=C(C(=O)O)C=C1Br CS-W007239 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.59 CC(=O)C1=CC(C)=NN1C CS-W019855 [0,1,0,0,0,0|1,0,2]=4 35 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 CS-0082121 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.59 CN1NC(=O)C=C1C(=O)O CS-0101609 [0,1,0,0,0,0|1,0,1]=3 37 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 CS-0464589 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.194 CC1=C(C)C(C(=O)O)=CN1 CS-0910011 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.194 CN1N=CC(C(=O)O)=C1O CS-0300513 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.194 O=C(O)C1=NNC(Br)=C1Cl CS-0608148 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 CS-0052859 [0,0,0,0,0,1|2,0,1]=4 42 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS-0042572 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.13 NC(=O)C1=NC=C(Br)N=C1 CS-0149964 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.13 NC1=CN=C(C(=O)O)N=C1 CS-W022293 [0,0,0,0,0,1|2,0,0]=3 45 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 CS-0101938 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS-W005396 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.54 CC(=O)CC1=NC=C(C)O1 CS-0255939 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.54 CC1=NC=C(CC(=O)O)S1 CS-B1136 [0,0,0,0,0,1|2,0,1]=4 50 B10R1.54 CC1=NOC(CC(=O)O)=N1 CS-0037991 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.54 O=C(O)CC1=CC(Br)=NO1 CS-0642238 [0,0,0,0,0,1|2,0,1]=4 52 B10R1.54 O=C(O)CN1C=C(Br)C=N1 CS-D0543 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.54 O=C(O)CN1C=C(I)N=N1 CS-0109697 [0,0,0,0,0,1|2,0,1]=4 54 B10R1.113 CC(=O)C1=NC=CC(F)=C1 CS-0834797 [0,0,0,0,0,1|3,0,0]=4 55 B7R0.6 O=C(O)\C=C/C(=O)O CS-0015079 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.15 C\C=C(/C#N)C(=O)O CS-0468696 [1,0,1,0,0,0|1,0,1]=4 57 B7R0.15 C\C=C(\CC)C(=O)O CS-0825044 [1,0,1,0,0,0|2,0,0]=4 58 B7R1.1 O=CC1=CC=NO1 CS-0342261 [2,0,0,0,0,0|1,0,1]=4 59 B7R1.1 O=CC1=NOC=C1 CS-0053739 [2,0,0,0,0,0|1,0,0]=3 60 B7R1.1 OCC1=NSC=C1 CS-0380031 [2,0,0,0,0,0|1,0,1]=4 61 B7R1.2 CC1=CC(I)=NN1 CS-W021944 [2,0,0,0,0,0|1,0,0]=3 62 B7R1.2 NC1=NNC(F)=C1 CS-0050485 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.21 OCC1=CC(CO)=NN1 CS-0204869 [1,1,0,0,0,0|0,0,1]=3 64 B9R1.23 CC1=C(C)OC(C=O)=C1 CS-0312628 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.23 CC1=NC(C=O)=CN1C CS-0374115 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.11 O=C(CO)C1=CC=CO1 CS-0320794 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.19 CC(C)(O)C1=NNC=C1 CS-0619585 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.41 CC1=C(C(=O)O)N=CS1 CS-W004929 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.41 CC1=C(C(=O)O)N=NS1 CS-0035819 [1,1,0,0,0,0|1,0,1]=4 70 B9R1.41 CC1=NNN=C1C(=O)O CS-0147322 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.41 CC1=NSN=C1C(=O)O CS-0633875 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.41 NC(=O)C1=NNC=C1Br CS-0619824 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.41 NC(=O)C1=NNC=C1Cl CS-0623096 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.41 O=C(O)C1=C(I)C=CS1 CS-0095507 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.41 O=C(O)C1=CNN=C1Br CS-0058282 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.41 O=C(O)C1=NNC=C1F CS-0254908 [1,1,0,0,0,0|0,0,0]=2 77 B9R1.41 O=C(O)C1=NNC=C1I CS-0018758 [1,1,0,0,0,0|0,0,0]=2 78 B9R1.41 O=C(O)C1=NOC=C1Br CS-0636520 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.41 O=C(O)C1=NSN=C1Br CS-0634245 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.3 COC1=CC=C(C(N)=O)N=C1 CS-0082328 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.3 O=C(O)C1=CN=C(CCl)C=C1 CS-0447014 [0,1,0,0,0,1|1,0,1]=4 82 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 CS-0130960 [0,1,0,0,0,1|1,0,1]=4 83 B11R1.21 CC1=CC(C(=O)O)=NC=C1F CS-0534611 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=C1 CS-0225990 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 CS-0534085 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.22 COC(=O)C1=CN=C(N)C=N1 CS-0049007 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.166 CC1=CN=C(C(=O)O)C(=O)N1 CS-0373007 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 CS-0051359 [0,1,0,0,0,1|1,0,0]=3 89 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br CS-0041189 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.166 O=C1CC(O)=C(C(=O)O)N=N1 CS-0047274 [0,1,0,0,0,1|1,0,1]=4 91 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 CS-W007184 [0,1,0,0,0,1|1,0,1]=4 92 B11R1.23 COC(=O)C1=CC(C)=CC=C1 CS-0008741 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.23 COC(=O)C1=NN=CC(Cl)=C1 CS-0653812 [0,1,0,0,0,1|1,0,1]=4 94 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 CS-0129038 [0,1,0,0,0,1|1,0,0]=3 95 B11R1.159 CN1C=NC=C(C(=O)O)C1=O CS-0533816 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.167 CC1=NC=C(N)C(C(=O)O)=C1 CS-0053917 [0,1,0,0,0,1|1,0,1]=4 97 B11R1.266 COC1=CC(C(=O)O)=CN=N1 CS-0050176 [0,1,0,0,0,1|0,0,1]=3 98 B11R1.266 COC1=CN=CC(C(C)=O)=C1 CS-0155105 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.266 COC1=NC=NC(C(=O)O)=C1 CS-W022509 [0,1,0,0,0,1|0,0,1]=3 100 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 CS-0171512 [0,1,0,0,0,1|1,0,1]=4 101 B11R1.15 CCOC(=O)C1=NOC(I)=C1 CS-0340215 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.44 COC(=O)C1=CC(CO)=CN1 CS-0099238 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.226 COC(=O)C1=CN(C)C(Br)=N1 CS-0473444 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.865 COC(=O)C1=C(Br)N(C)C=N1 CS-0541656 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.865 COC(=O)C1=NOC(C)=C1Br CS-0061153 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.48 CN1C=C(C(=O)O)C=C1C=O CS-0641764 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.50 CN1N=C(CO)C=C1C(=O)O CS-0910007 [0,2,0,0,0,0|0,0,2]=4 108 B11R1.175 CC(=O)C1=CSC(C(=O)O)=C1 CS-0542501 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.175 CC(C)C1=NN=C(C(=O)O)O1 CS-0290855 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.175 CC(C)N1C=NC(C(=O)O)=C1 CS-0446618 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.175 O=C(O)C1=CC(C(F)F)=CS1 CS-0640695 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.2 O=CC1=CC(=O)NC=C1 CS-0006441 [1,0,0,0,0,1|2,0,0]=4 113 B9R1.2 O=CC1=NC=CC(F)=C1 CS-W006870 [1,0,0,0,0,1|2,0,0]=4 114 B9R1.13 CC(=O)NC1=NNC=C1 CS-0206105 [1,0,0,0,0,1|1,0,0]=3 115 B9R1.13 O=C(O)CC1=CNN=C1 CS-0029585 [1,0,0,0,0,1|2,0,0]=4 116 B11R1.20 O=C(O)CC1=NNC(=O)C=C1 CS-0199664 [0,0,0,0,0,2|1,0,0]=3