0 B7R1.2 BrC1=CC=C(Br)O1 BCP17059 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 CC1=CC=C(C)N1 BCP18596 [0,0,0,0,0,0|0,0,0]=0 2 B7R1.2 CC1=NN=C(C)N1 BCP11310 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.2 CN1N=C(Br)C=C1 BCP14739 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.2 Cn1cc(cn1)I BCP13736 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 Cn1ccc(n1)I BCP17280 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.2 NC1=NC(=CS1)Br BCP11567 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 NC1=NC=C(Br)S1 BCP13550 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.2 NC1=NC=C(C)N1 BCP11475 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 BrC1=COC=C1 BCP10263 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 BrC1=NNC=C1 BCP00001 [1,0,0,0,0,0|2,0,1]=4 11 B6R1.2 CC1=CC=NO1 BCP11243 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.2 CC1=NNC=N1 BCP08231 [1,0,0,0,0,0|2,0,1]=4 13 B6R1.2 CN1N=CN=C1 BCP18633 [1,0,0,0,0,0|2,0,1]=4 14 B6R1.2 Ic1cnc[nH]1 BCP09637 [1,0,0,0,0,0|2,0,0]=3 15 B6R1.2 NC1=CNC=N1 BCP05277 [1,0,0,0,0,0|2,0,1]=4 16 B6R1.2 O=C1OCC=C1 BCP15247 [1,0,0,0,0,0|2,0,1]=4 17 B6R1.2 O=c1[nH]cc[nH]1 BCP13352 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.1 C[N+]1=CN(CC)C=C1 BCP15816 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.1 Cc1cnc(s1)C=O BCP10107 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.1 ClCc1cnc(s1)Cl BCP14042 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.1 ClCc1n[nH]c(=O)[nH]1 BCP05840 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.1 OCC1=NC(Br)=CS1 BCP11559 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.18 CC1=CC(C)=NN1C BCP18636 [0,1,0,0,0,0|1,0,1]=3 24 B8R1.18 C[C]1NC(=O)OC1=O BCP18817 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.18 Cc1nc(N)sc1C BCP18370 [0,1,0,0,0,0|2,0,1]=4 26 B8R1.18 NC1=NC(C)=C(C)S1 BCP14132 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.18 O=C1NC(=O)C(N1)=O BCP20123 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.50 CN1C(I)=CN=C1I BCP16756 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 O=C(C=C)OCC BCP06341 [0,0,1,0,0,0|2,0,1]=4 30 B6R0.2 CC(C)NC(C)=O BCP19527 [0,0,1,0,0,0|1,0,2]=4 31 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,0,1,0,0,0|3,0,0]=4 32 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,0,1,0,0,0|3,0,0]=4 33 B8R1.3 BrC1=CN=C(C)C=C1 BCP13752 [0,0,0,0,0,1|1,0,1]=3 34 B8R1.3 BrC1=CN=C(C)N=C1 BCP10084 [0,0,0,0,0,1|2,0,1]=4 35 B8R1.3 BrC1=NN=C(Br)C=C1 BCP19349 [0,0,0,0,0,1|2,0,1]=4 36 B8R1.3 CC1=CC=C(Cl)N=C1 BCP19250 [0,0,0,0,0,1|1,0,1]=3 37 B8R1.3 CC1=CN=C(C)C=N1 BCP08618 [0,0,0,0,0,1|1,0,1]=3 38 B8R1.3 CC1=CN=C(Cl)C=N1 BCP18846 [0,0,0,0,0,1|2,0,1]=4 39 B8R1.3 ClC1=CN=C(C=C1)I BCP11362 [0,0,0,0,0,1|2,0,1]=4 40 B8R1.3 FC1=CC=C(C)N=C1 BCP05119 [0,0,0,0,0,1|1,0,1]=3 41 B8R1.3 NC1=CC=C(C)N=C1 BCP05413 [0,0,0,0,0,1|1,0,1]=3 42 B8R1.3 NC=1C=CC(=CN1)C BCP16835 [0,0,0,0,0,1|1,0,1]=3 43 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [0,0,0,0,0,1|1,0,0]=2 44 B8R1.3 O=C1C=CC(N)=CN1 BCP05414 [0,0,0,0,0,1|2,0,0]=3 45 B8R1.3 O=C1C=NC(C)=CN1 BCP16191 [0,0,0,0,0,1|2,0,0]=3 46 B8R1.3 OC1=CC=C(Br)C=C1 BCP17755 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.3 OC1=CC=C(I)C=C1 BCP14445 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.3 SC1=CC=C(N)C=C1 BCP18598 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.4 BrC1=CC=NC(O)=C1 BCP01174 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.4 BrC1=CN=CC(Br)=C1 BCP07788 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.4 BrC1=NC=NC(=C1)C BCP06890 [0,0,0,0,0,1|3,0,0]=4 52 B8R1.4 C1=C(C=NC=C1Cl)O BCP10855 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.4 CC1=CC=CC(N)=C1 BCP15285 [0,0,0,0,0,1|2,0,0]=3 54 B8R1.4 CC1=CN=CC(Cl)=N1 BCP04702 [0,0,0,0,0,1|1,0,1]=3 55 B8R1.4 Cc1ccnc(c1)N BCP05096 [0,0,0,0,0,1|2,0,0]=3 56 B8R1.4 ClC1=CN=CC(Br)=C1 BCP04458 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.4 ClC1=CN=CC(Cl)=C1 BCP05054 [0,0,0,0,0,1|3,0,0]=4 58 B8R1.4 FC1=CC=NC(Cl)=C1 BCP05875 [0,0,0,0,0,1|3,0,0]=4 59 B8R1.4 FC1=CN=CC(Br)=C1 BCP04824 [0,0,0,0,0,1|3,0,0]=4 60 B8R1.4 FC1=NC(F)=CC=N1 BCP07954 [0,0,0,0,0,1|2,0,1]=4 61 B8R1.4 Fc1cccc(n1)Br BCP14733 [0,0,0,0,0,1|2,0,1]=4 62 B8R1.4 IC1=CC(Br)=NC=C1 BCP10632 [0,0,0,0,0,1|3,0,0]=4 63 B8R1.4 IC1=CC(Cl)=NC=C1 BCP13110 [0,0,0,0,0,1|3,0,0]=4 64 B8R1.4 IC1=CC(F)=NC=C1 BCP01627 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.4 NC1=CC(F)=CC=C1 BCP13758 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.4 NC1=CN=CC(Cl)=C1 BCP11400 [0,0,0,0,0,1|3,0,0]=4 67 B8R1.4 NC1=NC(N)=CN=C1 BCP04701 [0,0,0,0,0,1|2,0,1]=4 68 B8R1.4 SC1=CC=CC(N)=C1 BCP18600 [0,0,0,0,0,1|3,0,0]=4 69 B5R1.1 C1=CCNC1 BCP09734 [2,0,0,0,0,0|0,0,2]=4 70 B5R1.1 C1=NNC=N1 BCP20885 [2,0,0,0,0,0|2,0,0]=4 71 B5R1.1 N1N=NC=C1 BCP18903 [2,0,0,0,0,0|2,0,0]=4 72 B5R1.1 S1N=CC=C1 BCP05147 [2,0,0,0,0,0|1,0,1]=4 73 B7R1.1 BrCC1=CC=CS1 BCP05380 [1,1,0,0,0,0|1,0,0]=3 74 B7R1.1 BrCC1=CC=NO1 BCP11397 [1,1,0,0,0,0|2,0,0]=4 75 B7R1.1 CCC1=CC=CN1 BCP04114 [1,1,0,0,0,0|0,0,0]=2 76 B7R1.1 ClCC1=CN=CN1 BCP14266 [1,1,0,0,0,0|1,0,0]=3 77 B7R1.1 ClCC1=NC=CO1 BCP11468 [1,1,0,0,0,0|1,0,1]=4 78 B7R1.1 NCC1=CC=NO1 BCP11419 [1,1,0,0,0,0|2,0,0]=4 79 B7R1.1 NCC1=NC=CO1 BCP04231 [1,1,0,0,0,0|1,0,1]=4 80 B7R1.1 NCC1=NC=CO1 BCP16393 [1,1,0,0,0,0|1,0,1]=4 81 B7R1.1 NCC1=NC=CS1 BCP10504 [1,1,0,0,0,0|1,0,1]=4 82 B7R1.1 O=CC1=CC=CN1 BCP13856 [1,1,0,0,0,0|0,0,1]=3 83 B7R1.1 OCC1=CC=NO1 BCP11418 [1,1,0,0,0,0|2,0,0]=4 84 B7R1.1 OCc1cnco1 BCP16363 [1,1,0,0,0,0|2,0,0]=4 85 B7R1.4 BrC1=C(Br)SC=C1 BCP01021 [1,1,0,0,0,0|2,0,0]=4 86 B7R1.4 Cn1nccc1C BCP18637 [1,1,0,0,0,0|1,0,0]=3 87 B7R1.4 IC1=C(I)N=CN1 BCP17505 [1,1,0,0,0,0|2,0,0]=4 88 B7R1.4 OC1=CC=N[N]1C BCP17282 [1,1,0,0,0,0|1,0,1]=4 89 B7R1.4 SC1=NC=CN1C BCP02147 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.1 CC1=CC=C(C=N1)C=O BCP04829 [0,1,0,0,0,1|0,0,2]=4 91 B9R1.1 COC1=CN=C(Br)C=C1 BCP04838 [0,1,0,0,0,1|1,0,1]=4 92 B9R1.1 ClC1=CC=C(CN)C=N1 BCP19252 [0,1,0,0,0,1|1,0,1]=4 93 B9R1.1 NCC1=NC=C(C)N=C1 BCP14024 [0,1,0,0,0,1|1,0,1]=4 94 B9R1.1 OCC1=CC=C(C)N=C1 BCP15437 [0,1,0,0,0,1|0,0,1]=3 95 B9R1.1 OCC1=CC=C(S)C=C1 BCP18396 [0,1,0,0,0,1|2,0,0]=4 96 B9R1.69 BrC1=CN(C)C(C=C1)=O BCP06442 [0,1,0,0,0,1|2,0,0]=4 97 B9R1.69 CC1=C(I)C=CC(C)=C1 BCP09622 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.69 CC1=CC=C(F)C(Br)=N1 BCP06450 [0,1,0,0,0,1|1,0,1]=4 99 B9R1.69 CC1=CC=C(I)C(Br)=C1 BCP18601 [0,1,0,0,0,1|2,0,0]=4 100 B9R1.69 Cc1ccc(c(n1)C)N BCP10992 [0,1,0,0,0,1|1,0,1]=4 101 B9R1.69 ClC1=NC(C)=CN=C1C BCP03019 [0,1,0,0,0,1|1,0,1]=4 102 B9R1.69 IC1=CC(F)=NC=C1C BCP06899 [0,1,0,0,0,1|1,0,1]=4 103 B9R1.69 NC1=CC(C)=NC=C1Br BCP20478 [0,1,0,0,0,1|1,0,1]=4 104 B9R1.69 NC1=NC(C)=CC=C1N BCP07640 [0,1,0,0,0,1|1,0,1]=4 105 B9R1.69 NC1=NC=C(C)C=C1N BCP10192 [0,1,0,0,0,1|1,0,1]=4 106 B9R1.69 O=C1C=C(O)C(Cl)=CN1 BCP05824 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.69 O=C1NC(C=CN1C)=O BCP07466 [0,1,0,0,0,1|2,0,0]=4 108 B9R1.69 SC1=CC=C(C)C=C1C BCP08967 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.2 CC1=CN=CC(CCl)=C1 BCP15251 [0,1,0,0,0,1|1,0,0]=3 110 B9R1.2 CC1=NC=CC(=C1)C#N BCP19217 [0,1,0,0,0,1|1,0,1]=4 111 B9R1.2 CCC1=CC(N)=NC=C1 BCP14171 [0,1,0,0,0,1|2,0,0]=4 112 B9R1.2 CNC1=CC=CC(Cl)=N1 BCP10999 [0,1,0,0,0,1|1,0,1]=4 113 B9R1.2 COC1=CC=NC(Cl)=C1 BCP09377 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.2 COC1=NC=CC(I)=C1 BCP10195 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.2 COC1=NC=CC(N)=C1 BCP05654 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.2 ClC1=NC=CC(CN)=C1 BCP01584 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.2 ClC1=NC=CC(CN)=C1 BCP17040 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.2 FC1=CC=CC(CBr)=N1 BCP17087 [0,1,0,0,0,1|1,0,1]=4 119 B9R1.2 NC1=NC(=CN=C1)OC BCP09100 [0,1,0,0,0,1|1,0,1]=4 120 B9R1.2 OCC1=CC(C)=CN=C1 BCP16511 [0,1,0,0,0,1|1,0,0]=3 121 B9R1.3 CC1=C(I)C(Br)=CC=C1 BCP18602 [0,1,0,0,0,1|2,0,0]=4 122 B9R1.34 CC1=CC(Br)=NC(Br)=C1 BCP17323 [0,1,0,0,0,1|2,0,0]=4 123 B9R1.34 IC1=CC(F)=NC(C)=C1 BCP14882 [0,1,0,0,0,1|1,0,1]=4 124 B9R1.21 OCC1=CC=C(CO)O1 BCP14976 [0,2,0,0,0,0|1,0,0]=3 125 B9R1.23 O=CC1=NC(C)=C(C)N1 BCP07178 [0,2,0,0,0,0|1,0,1]=4 126 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [0,2,0,0,0,0|1,0,1]=4 127 B7R1.3 CC1=CC=CC=C1 BCP16202 [0,0,1,1,0,0|1,0,1]=4 128 B7R1.3 O=C1C=CN=CN1 BCP04213 [0,0,1,1,0,0|2,0,0]=4 129 B9R2.39 O=C1[C@@H]2C[C@@H](C=C2)N1 BCP07500 [0,0,0,1,0,1|1,0,1]=4