0 B8R1.1 BrC1=NC(C=O)=CS1 BCP07081 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.1 Cc1cnc(s1)C=O BCP10107 [0,0,0,0,0,0|1,1,0]=2 2 B8R1.1 O=CC1=CC(Br)=CN1 BCP05404 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 BrCC1=CC=CS1 BCP05380 [1,0,0,0,0,0|1,1,1]=4 4 B7R1.1 BrCC1=CC=NO1 BCP11397 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.1 CCC1=CC=CN1 BCP04114 [1,0,0,0,0,0|2,0,1]=4 6 B7R1.1 ClCC1=NC=CO1 BCP11468 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.1 NCC1=CC=NO1 BCP11419 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 NCC1=NC=CO1 BCP04231 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.1 NCC1=NC=CO1 BCP16393 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.1 O=CC1=CC=CN1 BCP13856 [1,0,0,0,0,0|1,0,0]=2 11 B7R1.1 O=CC1=CNC=C1 BCP05260 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.1 O=CC1=CNC=N1 BCP04813 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.1 O=CC1=CSC=N1 BCP07009 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.1 OCC1=CC=NO1 BCP11418 [1,0,0,0,0,0|1,0,2]=4 15 B7R1.1 OCc1cnco1 BCP16363 [1,0,0,0,0,0|1,0,2]=4 16 B7R1.2 BrC1=CC=C(Br)O1 BCP17059 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.2 CC1=CC=C(C)N1 BCP18596 [1,0,0,0,0,0|1,0,1]=3 18 B7R1.2 CN1N=C(Br)C=C1 BCP14739 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.2 Cn1ccc(n1)I BCP17280 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 NC1=NC=C(C)N1 BCP11475 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.21 O=CC1=CC=C(C=O)O1 BCP14987 [0,1,0,0,0,0|0,0,1]=2 23 B9R1.21 OCC1=CC=C(CO)O1 BCP14976 [0,1,0,0,0,0|0,0,2]=3 24 B9R1.23 O=CC1=NC(C)=C(C)N1 BCP07178 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.35 Cc1ncc(s1)C(=O)O BCP05391 [0,1,0,0,0,0|1,1,0]=3 26 B9R1.35 Cc1nnc(o1)C([O-])=O BCP12476 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [0,1,0,0,0,0|0,1,0]=2 28 B9R1.35 O=C(C1=CC=C(F)S1)O BCP06836 [0,1,0,0,0,0|1,1,0]=3 29 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BCP11850 [0,1,0,0,0,0|1,1,0]=3 30 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BCP05839 [0,1,0,0,0,0|1,1,0]=3 31 B9R1.35 O=C(O)C1=NC(Br)=CS1 BCP11583 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.35 OC(C1=CON(C)C1)=O BCP10350 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.1 CC1=CC=C(C=N1)C=O BCP04829 [0,0,0,0,0,1|1,0,0]=2 34 B9R1.1 O=CC1=CC=C(I)C=C1 BCP05912 [0,0,0,0,0,1|2,0,0]=3 35 B9R1.1 O=CC1=CN=C(C)N=C1 BCP03539 [0,0,0,0,0,1|2,0,0]=3 36 B9R1.1 O=CC1=CN=C(C=C1)Br BCP04709 [0,0,0,0,0,1|2,0,0]=3 37 B9R1.1 O=CC1=CN=C(Cl)N=C1 BCP25163 [0,0,0,0,0,1|3,0,0]=4 38 B9R1.1 O=CC1=NC=C(Br)C=C1 BCP14421 [0,0,0,0,0,1|2,0,0]=3 39 B9R1.1 O=CC1=NC=C(F)C=C1 BCP10413 [0,0,0,0,0,1|2,0,0]=3 40 B9R1.1 OCC1=CC=C(C)N=C1 BCP15437 [0,0,0,0,0,1|1,0,2]=4 41 B9R1.2 CC1=CN=CC(CCl)=C1 BCP15251 [0,0,0,0,0,1|2,0,1]=4 42 B9R1.2 CC1=NC=CC(=C1)C#N BCP19217 [0,0,0,0,0,1|2,0,1]=4 43 B9R1.2 O=CC1=CC=CC(N)=N1 BCP14417 [0,0,0,0,0,1|2,0,0]=3 44 B9R1.2 O=CC1=NC(Br)=CC=C1 BCP14423 [0,0,0,0,0,1|2,0,0]=3 45 B9R1.2 OCC1=CC(C)=CN=C1 BCP16511 [0,0,0,0,0,1|1,0,2]=4 46 B6R0.1 O=C(C=C)OCC BCP06341 [1,0,1,0,0,0|0,0,1]=3 47 B6R0.2 CC(OC(C)=O)=O BCP20665 [1,0,1,0,0,0|1,0,1]=4 48 B6R0.4 O=C(O)\C=C\CBr BCP11140 [1,0,1,0,0,0|1,0,1]=4 49 B6R1.2 CC1=CC=NO1 BCP11243 [2,0,0,0,0,0|1,0,0]=3 50 B6R1.2 O=C1OCC=C1 BCP15247 [2,0,0,0,0,0|0,0,1]=3 51 B6R1.2 O=c1[nH]cc[nH]1 BCP13352 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [1,1,0,0,0,0|0,1,0]=3 53 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.7 O=C(Cl)C1=CC=CO1 BCP14910 [1,1,0,0,0,0|0,0,0]=2 55 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.11 CN1C(C=O)=CC=N1 BCP03858 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.3 OCC1=CC=C(C=O)C=C1 BCP07175 [0,1,0,0,0,1|1,0,0]=3 59 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] BCP10982 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.25 CC1=CC(O)=CC=C1C=O BCP10259 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.25 O=CC1=CC=C(Br)C=C1O BCP00254 [0,1,0,0,0,1|2,0,0]=4 65 B10R1.25 O=CC1=CC=C(O)C=C1Cl BCP16836 [0,1,0,0,0,1|2,0,0]=4 66 B10R1.176 ClC1=C(Br)C=CC(C=O)=C1 BCP14717 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BCP00880 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.176 O=Cc1cnc(c(c1)C)Cl BCP08525 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.30 BrC1=CC=C(Cl)C=C1C=O BCP05871 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.30 BrC1=CC=C(F)C=C1C=O BCP14475 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.30 C1=C(C(=CC=C1F)O)C=O BCP18438 [0,1,0,0,0,1|2,0,0]=4 72 B10R1.30 O=CC1=CC(Cl)=NC=C1Br BCP06090 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [0,1,0,0,0,1|1,0,0]=3 74 B10R1.113 ClC1=CC(C(Cl)=O)=NC=C1 BCP15510 [0,1,0,0,0,1|2,0,0]=4 75 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [0,1,0,0,0,1|2,0,0]=4 76 B10R1.113 NC(C1=CC(Cl)=CC=N1)=O BCP11594 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [0,1,0,0,0,1|1,0,0]=3 78 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.113 O=C(C1=CC(Cl)=NC=C1)N BCP07880 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 BCP06806 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.172 COC1=NC=CC(=N1)C=O BCP10050 [0,1,0,0,0,1|1,0,0]=3 83 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [0,1,0,0,0,1|1,0,0]=3 84 B10R1.31 O=Cc1ccc(s1)B(O)O BCP03647 [0,2,0,0,0,0|1,1,0]=4 85 B10R1.58 OC(C1=CC(Cl)=C(Cl)S1)=O BCP06761 [0,2,0,0,0,0|1,1,0]=4 86 B10R1.55 FC(F)(F)C1=CC=C(C)O1 BCP11258 [0,2,0,0,0,0|1,0,1]=4 87 B8R1.3 BrC1=CN=C(C)C=C1 BCP13752 [0,0,1,1,0,0|2,0,0]=4 88 B8R1.3 FC1=CC=C(C)N=C1 BCP05119 [0,0,1,1,0,0|2,0,0]=4 89 B8R1.3 NC1=CC=C(C)N=C1 BCP05413 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.3 O=C1C=NC(C)=CN1 BCP16191 [0,0,1,1,0,0|2,0,0]=4 92 B8R1.3 OC1=CC=C(Br)C=C1 BCP17755 [0,0,1,1,0,0|2,0,0]=4 93 B8R1.3 OC1=CC=C(I)C=C1 BCP14445 [0,0,1,1,0,0|2,0,0]=4