0 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 CS-0155126 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.58 CN1N=C(C(=O)O)C=C1Br CS-W007239 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.23 CC1=C(Br)SC(CO)=N1 CS-0564326 [1,0,0,0,0,0|1,1,1]=4 3 B9R1.23 CC1=C(C)OC(C=O)=C1 CS-0312628 [1,0,0,0,0,0|1,1,0]=3 4 B9R1.23 CC1=NC(C=O)=CN1C CS-0374115 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 CC(=O)C1=CC(Br)=CN1 CS-0611923 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC(=O)C1=CC=C(N)S1 CS-0541697 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 CC(=O)C1=CN=C(Cl)S1 CS-0060854 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 CC(=O)C1=NC(C)=CN1 CS-0214967 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 CC1=CC(C(=O)O)=CO1 CS-0372581 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.35 CC1=CC(C(N)=O)=NO1 CS-W006577 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC1=NSC(C(N)=O)=N1 CS-0626390 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 C[C@@H](O)C1=CC(Br)=CS1 CS-0309241 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.35 C[C@@H](O)C1=CC=C(Br)S1 CS-0263721 [1,0,0,0,0,0|1,1,1]=4 14 B9R1.35 NC1=CN=C(C(=O)O)S1 CS-0054696 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.35 O=C(O)C1=CC(O)=CS1 CS-0217303 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.35 O=C(O)C1=COC(Br)=C1 CS-W023154 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.35 O=C1C=C(C(=O)O)CC1 CS-0188012 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.35 O=C1NC(C(=O)O)=CS1 CS-0530108 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.48 CN1C=C(C(=O)O)C=C1C=O CS-0641764 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.226 COC(=O)C1=CC(Br)=C(Br)N1 CS-0213462 [0,1,0,0,0,0|2,1,0]=4 21 B11R1.226 COC(=O)C1=CN(C)C(Br)=N1 CS-0473444 [0,1,0,0,0,0|2,1,0]=4 22 B11R1.226 COC(=O)C1=NC(C)=C(Br)S1 CS-0054976 [0,1,0,0,0,0|1,1,0]=3 23 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 CS-0130960 [0,0,0,0,0,1|1,0,0]=2 24 B11R1.21 CC1=C(N)N=CC(C(=O)O)=C1 CS-0029961 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.21 CC1=C(O)C=C(C(N)=O)C=C1 CS-0824758 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.21 CC1=CC(C(=O)O)=NC=C1F CS-0534611 [0,0,0,0,0,1|1,1,0]=3 27 B11R1.21 CC1=CC([N+](=O)[O-])=CC=C1Cl CS-0010836 [0,0,0,0,0,1|2,0,1]=4 28 B11R1.21 NC(=O)C1=CC=C(Cl)C(N)=C1 CS-0127989 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=C1 CS-0225990 [0,0,0,0,0,1|2,1,0]=4 30 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 CS-W012469 [0,0,0,0,0,1|2,1,0]=4 31 B11R1.21 NC1=C(I)C=C(C(=O)O)C=N1 CS-0135759 [0,0,0,0,0,1|2,1,0]=4 32 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 CS-0071735 [0,0,0,0,0,1|2,1,0]=4 33 B11R1.21 O=C(O)C1=CC=C(F)C(=O)N1 CS-0136303 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 CS-0534085 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 CS-0232178 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.74 NC(=O)C1=CC(Cl)=CC(Cl)=C1 CS-0206081 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.74 NC1=CC(Cl)=CC(C(=O)O)=C1 CS-W021836 [0,0,0,0,0,1|2,0,0]=3 38 B8R1.1 CC1=CN=C(C=O)O1 CS-0312389 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.1 CC1=CNC(C=O)=C1 CS-0152852 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.1 CC1=CNC(C=O)=N1 CS-0342324 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.1 CC1=COC(C=O)=C1 CS-0055543 [2,0,0,0,0,0|0,1,0]=3 42 B8R1.1 O=CC1=CN=C(Cl)N1 CS-0626324 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.14 COC(=O)C1=CC(Cl)=CS1 CS-0049036 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.14 COC(=O)C1=CN=C(C)S1 CS-0187478 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.14 COC(=O)C1=NC(C)=NS1 CS-0036182 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.31 C#CC1=CC=C(C(=O)O)O1 CS-0201371 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.31 CCN1C=NC(C(=O)O)=C1 CS-0466264 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.31 COC1=CSC(C(=O)O)=C1 CS-0434710 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.194 CC1=C(C)C(C(=O)O)=CN1 CS-0910011 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.48 CC1=CC(C(=O)O)=CC=C1CN CS-1174475 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.48 COC1=C(C)N=C(C(=O)O)C=C1 CS-0195565 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.48 COC1=C(I)N=C(C(=O)O)C=C1 CS-0308400 [0,1,0,0,0,1|1,1,0]=4 53 B12R1.56 C#CC1=CC(C(=O)O)=CC=C1Cl CS-0609314 [0,1,0,0,0,1|1,0,1]=4 54 B12R1.56 CC1=CC=C(C(=O)O)C=C1CN CS-0774295 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.232 CC1=NC(C)=C(C(N)=O)N=C1Cl CS-M2227 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.232 O=C(O)C1=CC(Cl)=C(F)C=C1Cl CS-0566239 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.367 COC(=O)C1=CC(Cl)=C(C)N=C1 CS-0774343 [0,1,0,0,0,1|1,0,0]=3 58 B12R1.367 COC(=O)C1=CC=C(Cl)C(C)=C1 CS-0131366 [0,1,0,0,0,1|1,0,0]=3 59 B12R1.367 COC(=O)C1=CN=C(O)C(C)=C1 CS-0454754 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.367 COC(=O)C1=NC(Cl)=C(O)C=C1 CS-0534528 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.893 CC1=C(Br)C(C(=O)O)=CC=C1F CS-0572378 [0,1,0,0,0,1|1,1,0]=4 62 B12R1.893 CC1=C(Br)C(C)=C(C(=O)O)C=N1 CS-0070292 [0,1,0,0,0,1|1,1,0]=4 63 B12R1.893 NC1=C(C(=O)O)C=NC(Cl)=C1F CS-0343122 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(Cl)C=C1 CS-0193548 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1F CS-0186786 [0,1,0,0,0,1|1,1,0]=4 66 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O CS-W017815 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 CS-0157721 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(Cl)=C1 CS-0193871 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.11 CC1=CC(C#N)=CC(C(=O)O)=C1 CS-0036278 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.11 CCC1=CC(C(=O)O)=CC(F)=C1 CS-0641634 [0,1,0,0,0,1|1,1,0]=4 71 B12R1.11 COC1=CC(C(=O)O)=NC(Cl)=N1 CS-0643019 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.11 O=C(O)C1=CC(F)=CC(CO)=C1 CS-0157687 [0,1,0,0,0,1|1,1,0]=4 73 B12R1.358 COC(=O)C1=CC(C)=CC(Cl)=C1 CS-0311080 [0,1,0,0,0,1|1,0,0]=3 74 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=N1 CS-0216275 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.511 CC1=C(Cl)C=C(F)C=C1C(=O)O CS-0161097 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.511 CC1=C(Cl)C=C(I)C=C1C(=O)O CS-0651302 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.511 CC1=CC(C(=O)O)=C(F)C(Cl)=N1 CS-0636339 [0,1,0,0,0,1|1,0,0]=3 78 B12R1.511 NC1=CC(Cl)=CC(C(=O)O)=C1O CS-0267968 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.511 O=C(O)C1=CC(F)=CC(Cl)=C1Br CS-0531482 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.314 CCOC(=O)C1=CC(C)=C(C)N1 CS-0151792 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.362 COC(=O)C1=C(O)C(Br)=C(C)S1 CS-0441291 [0,2,0,0,0,0|2,0,0]=4 82 B12R2.252 O=C(O)C1=CC2=C(CCC2)N1 CS-0030015 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.8 CC1=CC(C=O)=CC(Br)=N1 CS-0615307 [1,0,0,0,0,1|1,1,0]=4 84 B10R1.8 O=CC1=CC(I)=CC(Cl)=C1 CS-0517108 [1,0,0,0,0,1|2,0,0]=4 85 B10R1.54 CC1=NC=C(CC(=O)O)S1 CS-B1136 [1,0,0,0,0,1|2,0,0]=4 86 B12R1.19 CC1=CC(CC(=O)O)=CN=C1Cl CS-0651514 [0,0,0,0,0,2|1,0,0]=3