0 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 S=C(Cl)OC1=CC=CC=C1 BCP10334 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.20 CC(NC1=CC=C(O)C=C1)=O BCP23431 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 BCP18597 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 BCP16764 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.36 C=C(C(O)=O)C1=CC=CC=C1 BCP01226 [0,1,0,0,0,0|0,0,1]=2 13 B11R1.36 C[C](c1ccccc1)C(=O)O BCP14307 [0,1,0,0,0,0|0,0,1]=2 14 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.157 O=C(O)CC1=CC=CC(C)=N1 BCP08714 [0,1,0,0,0,0|1,0,0]=2 16 B11R2.10 NC1=NC2=CC=CC=C2O1 BCP08019 [0,0,0,1,0,0|2,0,0]=3 17 B11R2.10 NC1CC2=CC=CC=C2C1 BCP06421 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.10 O=C1NC=2C=CC=CC2N1 BCP18291 [0,0,0,1,0,0|2,0,0]=3 19 B11R2.10 O=C1OC2=CC=CN=C2N1 BCP10943 [0,0,0,1,0,0|2,0,0]=3 20 B11R2.238 [C@@H]1(CC2=CC=CC=C2)NC1 BCP18628 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [0,0,0,0,1,0|2,0,0]=3 22 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [0,0,0,0,1,0|1,0,0]=2 24 B9R1.6 OB(O)C1=CC=NC=C1 BCP01192 [0,0,0,0,1,0|2,0,1]=4 25 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [0,0,0,0,1,0|2,0,1]=4 26 B9R1.13 O=C(O)CC1=CN=CN1 BCP18582 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.13 O=C(O)CN1C=CN=C1 BCP18186 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 BCP13684 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.91 [O-][N+](\C=C\C1=CC=CC=C1)=O BCP12490 [0,0,0,0,0,1|1,0,2]=4 30 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.2 OCC1=CN=CN=C1 BCP04747 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.13 BrC1=CN=C(C=N1)C(=O)O BCP04439 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [0,1,0,0,1,0|1,0,1]=4 39 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [0,1,0,0,1,0|1,0,0]=3 40 B10R1.13 NC(C1=CC=C(N)C=C1)=N BCP12270 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.13 O=C(O)C1=CN=C(O)N=C1 BCP11778 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.13 O=[N+](C1=CC=C(I)C=C1)[O-] BCP14439 [0,1,0,0,1,0|1,0,1]=4 45 B10R1.13 O=[N+]([O-])C1=CC=C(N)C=C1 BCP10655 [0,1,0,0,1,0|1,0,1]=4 46 B10R1.13 OB(O)C1=CC=C(S)C=C1 BCP06691 [0,1,0,0,1,0|1,0,1]=4 47 B10R1.13 OC(C1=CC=[N+]([O-])C=C1)=O BCP10688 [0,1,0,0,1,0|1,0,0]=3 48 B10R1.13 OC1=CC=C(B(O)O)C=C1 BCP03521 [0,1,0,0,1,0|1,0,1]=4 49 B10R1.13 OC1=CC=C(C(=S)N)C=C1 BCP12826 [0,1,0,0,1,0|1,1,0]=4 50 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.61 ClC1=C(C(N)=O)C=NC=C1 BCP06914 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [0,1,0,0,1,0|1,0,1]=4 54 B10R1.61 IC1=NC=CN=C1C(=O)O BCP04704 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.61 NC1=C([N+]([O-])=O)C=CC=C1 BCP05324 [0,1,0,0,1,0|1,0,1]=4 56 B10R1.61 NC1=CC=CC=C1B(O)O BCP14682 [0,1,0,0,1,0|1,0,1]=4 57 B10R1.61 O=C(C1=C(N)C=NC=C1)O BCP09357 [0,1,0,0,1,0|1,0,0]=3 58 B10R1.61 O=C(C1=NC=CNC1=O)O BCP03022 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.61 O=C(O)C1=C(C)N=CN=C1 BCP06023 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.61 O=C(O)C=1C=NC=CC1Br BCP05403 [0,1,0,0,1,0|1,0,0]=3 61 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.61 OB(c1ccccc1Br)O BCP11801 [0,1,0,0,1,0|1,0,1]=4 63 B10R1.61 OC(=O)c1ccncc1C BCP06101 [0,1,0,0,1,0|1,0,0]=3 64 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [0,1,0,0,1,0|0,0,0]=2 65 B10R1.113 C1=C(C=CC=C1Br)B(O)O BCP22684 [0,1,0,0,1,0|1,0,1]=4 66 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [0,1,0,0,1,0|2,0,0]=4 67 B10R1.113 ClC1=CC(C(Cl)=O)=NC=C1 BCP15510 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.113 FC1=CC(B(O)O)=CC=C1 BCP13763 [0,1,0,0,1,0|1,0,1]=4 69 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [0,1,0,0,1,0|1,0,0]=3 70 B10R1.113 N=C(C1=CC(Cl)=CC=C1)N BCP17079 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.113 N=C(N)C1=CC=CC(F)=C1 BCP17080 [0,1,0,0,1,0|2,0,0]=4 72 B10R1.113 NC(C1=CC(Cl)=CC=N1)=O BCP11594 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.113 O=C(C1=CC(Cl)=NC=C1)N BCP07880 [0,1,0,0,1,0|2,0,0]=4 76 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [0,1,0,0,1,0|1,0,0]=3 77 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 BCP06806 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.113 O=C1NN=CC(=C1)C(=O)O BCP03769 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.113 O=[N+](C1=CC(F)=CC=C1)[O-] BCP16131 [0,1,0,0,1,0|1,0,1]=4 80 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 BCP18660 [0,1,0,0,1,0|1,0,1]=4 81 B10R1.113 OC(C1=NC=NC(O)=C1)=O BCP06262 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.113 Oc1cccc(c1)B(O)O BCP03518 [0,1,0,0,1,0|1,0,1]=4 83 B10R1.23 O=C(O)[C@@H](N)C1=CSC=C1 BCP11604 [0,1,0,0,1,0|1,0,0]=3 84 B10R1.23 O=C(O)[C](N)C1=CSC=C1 BCP11589 [0,1,0,0,1,0|1,0,1]=4 85 B10R1.23 OC(=O)C(=O)C1=CC=CO1 BCP12669 [0,1,0,0,1,0|1,0,1]=4 86 B10R1.54 O=C(O)CC1=CSC(N)=N1 BCP11963 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.54 O=C(O)CC1=CSC(N)=N1 BCP12035 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 BCP19200 [0,1,0,0,0,1|1,0,1]=4 89 B12R1.27 O=C(CCC1=CC=CC=C1)CBr BCP00253 [0,1,0,0,0,1|1,0,0]=3 90 B12R1.27 O=C(OCC1=CC=CC=C1)CO BCP10145 [0,1,0,0,0,1|0,0,0]=2 91 B12R1.43 N[C](CC1=CC=CC=C1)C(O)=O BCP16807 [0,1,0,0,0,1|0,0,0]=2 92 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [0,1,0,0,0,1|0,0,0]=2 93 B12R1.107 N[C](c1ccccc1)CC(=O)O BCP12759 [0,1,0,0,0,1|0,0,0]=2 94 B12R1.107 O=[N+](CC(C1=CC=CC=C1)=O)[O-] BCP06401 [0,1,0,0,0,1|1,0,1]=4 95 B12R1.226 BrC1=CC(CCC(O)=O)=CC=C1 BCP15306 [0,1,0,0,0,1|0,0,0]=2 96 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl BCP04483 [0,1,0,0,0,1|0,0,0]=2 97 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 BCP15472 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.19 C1=C(C=CC(=C1Cl)O)NC(C)=O BCP20088 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.19 OC1=CC(CC(C)=O)=CC=C1O BCP28119 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 BCP05934 [0,2,0,0,0,0|0,0,0]=2 101 B12R1.49 BrC1=CC=C(CC(OC)=O)C=C1 BCP16335 [0,2,0,0,0,0|0,0,0]=2 102 B12R1.49 O=C(CC)NC1=CC=C(O)C=C1 BCP10463 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 BCP08999 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 BCP11098 [0,2,0,0,0,0|0,0,0]=2 105 B12R1.225 ClC1=CC([C@@H](C(O)=O)N)=CC=C1 BCP19868 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.225 ClC1=CC([C](C(O)=O)N)=CC=C1 BCP19872 [0,2,0,0,0,0|0,0,1]=3 107 B12R1.225 ClC1=CC([C](C(O)=O)N)=CC=C1 BCP19873 [0,2,0,0,0,0|0,0,1]=3 108 B12R1.50 NC1=CC(NC(CC)=O)=CC=C1 BCP19520 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.371 CC1=C(NC(OC)=O)C=NC=C1 BCP13436 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 BCP17205 [0,2,0,0,0,0|0,0,0]=2 111 B12R1.127 BrC1=C(CC(O)=O)C=C(Br)C=C1 BCP11411 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.127 O=C(O)CC1=CC(C)=CC=C1C BCP29307 [0,2,0,0,0,0|0,0,0]=2 113 B10R1.66 O=C(O)CCC1=CSC=C1 BCP20489 [0,0,1,1,0,0|1,0,1]=4 114 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|0,0,2]=4 115 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|2,0,0]=4 116 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|2,0,0]=4 117 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,1,0,0|1,0,1]=4 118 B10R2.7 C=12C=CC=CC1OBO2 BCP15959 [1,0,0,1,0,0|2,0,0]=4 119 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|1,0,1]=4 120 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [0,0,0,1,0,1|1,0,0]=3 121 B12R2.24 OC1=CC2=CC=CC=C2N=C1 BCP20129 [0,0,0,1,0,1|1,0,1]=4 122 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 BCP10942 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.606 O=C1OC2=CC=C(Cl)C=C2N1 BCP07916 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 BCP15804 [0,1,0,1,0,0|1,1,0]=4 125 B12R2.18 N[C@@H]1[C](O)Cc2c1cccc2 BCP01236 [0,1,0,1,0,0|1,0,1]=4 126 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BCP15996 [0,1,0,1,0,0|1,0,1]=4 127 B12R2.18 O[C@@H]1[C](N)C2=C(C=CC=C2)C1 BCP01235 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.202 FC1=CC=CC=2CC(NC21)=O BCP05932 [0,1,0,1,0,0|1,0,0]=3 129 B12R2.202 O=C1NC2=C(C1)C(Br)=CC=C2 BCP05909 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.7 C1=C(C(=O)O)C=NO1 BCP10174 [0,0,0,0,2,0|2,0,0]=4 131 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [0,0,0,0,2,0|1,0,0]=3 132 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [0,0,0,0,2,0|1,0,0]=3 133 B8R1.7 O=C(Cl)C1=CC=CO1 BCP14910 [0,0,0,0,2,0|2,0,0]=4 134 B8R1.7 OC(=O)c1c[nH]nc1 BCP06636 [0,0,0,0,2,0|2,0,0]=4 135 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [0,0,0,0,2,0|2,0,0]=4 136 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [0,0,0,0,2,0|2,0,0]=4 137 B12R1.252 O=C(O)CCCC1=CC=CC=C1 BCP10715 [0,0,0,0,0,2|0,0,0]=2