0 B9R1.35 Cc1ncc(s1)C(=O)O BCP05391 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 O=C(C1=CC=C(F)S1)O BCP06836 [0,0,0,0,0,0|0,1,0]=1 3 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BCP11850 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 O=C(O)C1=CC(O)=NO1 BCP08277 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BCP05839 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 O=C(O)C1=NC(Br)=CS1 BCP11583 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.35 OB(O)C1=CC=C(Br)S1 BCP05461 [0,0,0,0,0,0|1,1,1]=3 8 B9R1.35 OC(C1=CON(C)C1)=O BCP10350 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 BrC1=NC(C=O)=CS1 BCP07081 [1,0,0,0,0,0|2,1,0]=4 10 B8R1.1 Cc1cnc(s1)C=O BCP10107 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.1 ClCc1cnc(s1)Cl BCP14042 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.1 O=CC1=CC(Br)=CN1 BCP05404 [1,0,0,0,0,0|2,1,0]=4 13 B8R1.7 C1=C(C(=O)O)C=NO1 BCP10174 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [1,0,0,0,0,0|0,0,0]=1 15 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 O=C(Cl)C1=CC=CO1 BCP14910 [1,0,0,0,0,0|1,1,0]=3 17 B8R1.7 O=C(O)C1=COCC1 BCP10326 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 OC(=O)c1c[nH]nc1 BCP06636 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.14 O=C(OC)C1=CSC(N)=N1 BCP18228 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.31 O=Cc1ccc(s1)B(O)O BCP03647 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.58 OC(C1=CC(Cl)=C(Cl)S1)=O BCP06761 [0,1,0,0,0,0|0,0,0]=1 24 B10R1.194 O=C(C1=C(Cl)C(Cl)=NS1)O BCP00113 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.13 BrC1=CN=C(C=N1)C(=O)O BCP04439 [0,0,0,0,0,1|2,1,0]=4 26 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [0,0,0,0,0,1|1,0,0]=2 27 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [0,0,0,0,0,1|2,0,0]=3 28 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.13 O=C(O)C1=CN=C(O)N=C1 BCP11778 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=N1 BCP09359 [0,0,0,0,0,1|2,0,1]=4 31 B10R1.13 OC(C1=CC=[N+]([O-])C=C1)=O BCP10688 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.54 O=C(O)CC1=CSC(N)=N1 BCP11963 [0,0,0,0,0,1|3,0,0]=4 33 B10R1.54 O=C(O)CC1=CSC(N)=N1 BCP12035 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.113 ClC1=CC(C(Cl)=O)=NC=C1 BCP15510 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [0,0,0,0,0,1|1,1,0]=3 37 B10R1.113 N=C(C1=CC(Cl)=CC=C1)N BCP17079 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.113 N=C(C1=CC(Cl)=NC=C1)N BCP14413 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.113 NC(C1=CC(Cl)=CC=N1)=O BCP11594 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.113 O=C(C1=CC(Cl)=NC=C1)N BCP07880 [0,0,0,0,0,1|2,0,0]=3 43 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 BCP06806 [0,0,0,0,0,1|1,0,0]=2 45 B10R1.113 O=C1NN=CC(=C1)C(=O)O BCP03769 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.113 OC(C1=NC=NC(O)=C1)=O BCP06262 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.113 [O-][N+](C1=NC=CC(Cl)=C1)=O BCP10977 [0,0,0,0,0,1|2,0,1]=4 48 B7R1.1 BrCC1=CC=CS1 BCP05380 [2,0,0,0,0,0|1,0,1]=4 49 B7R1.1 O=CC1=CC=CN1 BCP13856 [2,0,0,0,0,0|1,0,0]=3 50 B7R1.1 O=CC1=CNC=C1 BCP05260 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.1 O=CC1=CNC=N1 BCP04813 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.1 O=CC1=CSC=N1 BCP07009 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.21 O=CC1=CC=C(C=O)O1 BCP14987 [1,1,0,0,0,0|1,1,0]=4 54 B9R1.11 O=C(C1=CNC=C1)OC BCP08156 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.11 O=C(CBr)C1=NC=CS1 BCP07589 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.41 BrC1=CSC=C1C(O)=O BCP07136 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.41 CN1C(C(O)=O)=CN=C1 BCP15504 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.41 O=C(N)C1=CC=CN1N BCP13936 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.41 O=C(O)C1=C(Br)SC=C1 BCP08081 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.3 O=C(O)C1=NC=C(C#N)C=C1 BCP08290 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.3 OC(C1=CC=C(C#C)C=C1)=O BCP20454 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 BCP15174 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.21 OC(C1=CC(N)=C(Br)C=C1)=O BCP05730 [0,1,0,0,0,1|1,1,0]=4 64 B11R1.21 OC(C1=CC=C(I)C(O)=C1)=O BCP09356 [0,1,0,0,0,1|1,1,0]=4 65 B11R1.166 BrC1=C(C(O)=O)C=CC(Cl)=C1 BCP15958 [0,1,0,0,0,1|1,0,0]=3 66 B11R1.166 ClC1=C(C(O)=O)C=CC(Cl)=N1 BCP08665 [0,1,0,0,0,1|1,0,0]=3 67 B11R1.166 ClC1=C(C(O)=O)C=CC(N)=C1 BCP01197 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.166 ClC1=NC(Cl)=CC=C1C(C)=O BCP09337 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.166 FC1=C(C(O)=O)C=CC(C)=C1 BCP09722 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.166 NC1=C(C(O)=O)C=CC(F)=C1 BCP09507 [0,1,0,0,0,1|1,1,0]=4 71 B11R1.166 NC1=CC(Br)=CC=C1C(O)=O BCP14460 [0,1,0,0,0,1|1,1,0]=4 72 B11R1.166 O=C(C1=CC=C(C)N=C1Cl)O BCP09379 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.166 O=C(C1=CN=C(N)C=C1C)O BCP10477 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 BCP14859 [0,1,0,0,0,1|1,0,0]=3 75 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F BCP13399 [0,1,0,0,0,1|1,1,0]=4 76 B11R1.166 OC1=C(C(O)=O)C=CC(N)=C1 BCP18565 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.166 OC1=C(C(O)=O)C=NC(C)=C1 BCP17538 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O BCP12653 [0,1,0,0,0,1|1,0,0]=3 79 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP04087 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP10788 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.23 O=C(C1=NC=CC(C)=C1)OC BCP16377 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.23 O=C(NN)C1=CC(Cl)=CC=N1 BCP12587 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.74 ClC1=CC(=CC(=N1)C(=O)O)C BCP07577 [0,1,0,0,0,1|1,0,0]=3 84 B11R1.74 O=C(C1=CC(Cl)=NC(C)=C1)O BCP11279 [0,1,0,0,0,1|1,0,0]=3 85 B11R1.74 O=C1NC(C=C(N1)C(O)=O)=O BCP09063 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.159 CC1=C(Br)C=CC=C1C(O)=O BCP15096 [0,1,0,0,0,1|1,1,0]=4 87 B11R1.159 ClC1=C(C=CC=C1N)C(O)=O BCP11482 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.159 FC1=C(Br)C=CC=C1C(O)=O BCP06895 [0,1,0,0,0,1|1,1,0]=4 89 B11R1.159 NC1=C(Br)C=CC=C1C(O)=O BCP19780 [0,1,0,0,0,1|1,1,0]=4 90 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1I BCP20542 [0,1,0,0,0,1|1,0,0]=3 91 B11R1.159 O=C(O)C1=CC=CC(N)=C1F BCP01533 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.159 OC(C1=CC=CC(N)=C1Br)=O BCP14102 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.167 BrC=1C=CC(=CC1C(O)=O)F BCP14905 [0,1,0,0,0,1|1,1,0]=4 94 B11R1.167 Brc1cnc(c(c1)C(=O)O)F BCP11547 [0,1,0,0,0,1|1,1,0]=4 95 B11R1.167 CC1=C(C(O)=O)C=C(Br)C=C1 BCP08460 [0,1,0,0,0,1|1,1,0]=4 96 B11R1.167 CC1=C(C(O)=O)C=C(I)C=C1 BCP08718 [0,1,0,0,0,1|1,1,0]=4 97 B11R1.167 CC1=C(N=C(Cl)N=C1)C(O)=O BCP11681 [0,1,0,0,0,1|1,0,0]=3 98 B11R1.167 CC1=CC=C(F)C=C1C(O)=O BCP15139 [0,1,0,0,0,1|1,1,0]=4 99 B11R1.167 CC1=NC=C(C(=N1)C(=O)O)Br BCP12234 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.167 ClC1=NN=C(Cl)C=C1C(O)=O BCP05892 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.167 ClC=1C=CC(=CC1C(O)=O)Br BCP07097 [0,1,0,0,0,1|1,1,0]=4 102 B11R1.167 FC1=CC=C(I)C=C1C(O)=O BCP14014 [0,1,0,0,0,1|1,1,0]=4 103 B11R1.167 O=C(C1=CC(Cl)=CN=C1N)O BCP11520 [0,1,0,0,0,1|1,0,0]=3 104 B11R1.167 O=C(C1=CC(I)=CN=C1N)O BCP11517 [0,1,0,0,0,1|1,1,0]=4 105 B11R1.167 O=C(C1=NC(Cl)=CC=C1Br)O BCP10166 [0,1,0,0,0,1|1,0,0]=3 106 B11R1.167 O=C(O)C1=C(Br)C=NC(Cl)=C1 BCP09378 [0,1,0,0,0,1|1,0,0]=3 107 B11R1.167 O=C(O)C1=C(Cl)N=CC(C)=C1 BCP16113 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.167 O=C(O)C1=CC(F)=CC=C1N BCP16119 [0,1,0,0,0,1|1,1,0]=4 109 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1N BCP03892 [0,1,0,0,0,1|1,0,0]=3 110 B11R1.167 OC=1C=CC(=CC1C(O)=O)N BCP05326 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.266 C(#N)C1=NC=CC(=C1)C(=O)O BCP18492 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.266 O=Cc1cccc(c1)C(=O)O BCP18649 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.15 O=C(OCC)C1=CN=C(Cl)O1 BCP18038 [0,2,0,0,0,0|1,1,0]=4 114 B11R1.225 COC(=O)C1=C(N)C=C(Br)S1 BCP19755 [0,2,0,0,0,0|0,1,0]=3 115 B11R1.175 OC(=O)c1ccc(o1)C(=O)O BCP16192 [0,2,0,0,0,0|1,1,0]=4 116 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [0,0,1,1,0,0|2,0,0]=4 117 B9R1.69 OC1=CC(Cl)=CC=C1I BCP08793 [0,0,1,1,0,0|2,0,0]=4 118 B9R1.2 O=CC1=CC=CC(N)=N1 BCP14417 [1,0,0,0,0,1|2,0,0]=4 119 B9R1.2 O=CC1=NC(Br)=CC=C1 BCP14423 [1,0,0,0,0,1|1,1,0]=4 120 B9R1.13 O=C(O)CC1=CN=CN1 BCP18582 [1,0,0,0,0,1|2,0,0]=4 121 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 BCP18597 [0,0,0,0,0,2|2,0,0]=4 122 B11R1.157 O=C(O)CC1=CC=CC(C)=N1 BCP08714 [0,0,0,0,0,2|2,0,0]=4