0 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 BBL023174 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.75 CC(C)OC1=CC=CC=C1CN BBL011262 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.75 COC1=CC=CC=C1CC(C)=O BBL027726 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.41 CCC1=CC=CC=C1N=C=O BBL037655 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.41 CCOC1=CC=CC=C1NN BBL014418 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.41 COC1=C(N=C=S)C=CC=C1 BBL027787 [1,0,0,0,0,0|1,1,1]=4 6 B11R1.41 COC1=CC=CC=C1CCN BBL027693 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.41 COC1=CC=CC=C1N=C=O BBL027367 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.86 CC1=CC=CC=C1NC(N)=S BBL027968 [1,0,0,0,0,0|2,1,0]=4 10 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.86 NC(=S)NC1=CC=CC=C1O BBL008029 [1,0,0,0,0,0|2,1,0]=4 12 B13R1.51 COC1=CC(N)=CC=C1NC(C)=O BBL011778 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.51 COC1=CC(N)=CC=C1OC(F)F BBL038881 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.89 COC1=CC=CC=C1C(N)C(=O)O BBL008183 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 BBL011251 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.91 N#CC1=C(NC(=O)CCl)C=CC=C1 BBL028298 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.380 CC(C)OC1=C(CCN)C=CC=C1 BBL024489 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.589 CC(=O)C1=CC=CC=C1OC(C)C BBL014150 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.589 CC(=O)NC1=CC=CC=C1C(=O)O BBL009698 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.589 CC(=O)NC1=CC=CC=C1[N+](=O)[O-] BBL000675 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.3089 COC1=CC=C(C)C=C1CC(=O)O BBL020368 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.3089 COC1=CC=C(Cl)C=C1CC(=O)O BBL020346 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.3089 COC1=CC=C(N)C=C1NC(C)=O BBL028676 [0,1,0,0,0,0|1,0,0]=2 24 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 BBL027616 [0,0,0,1,0,0|2,0,1]=4 25 B11R1.53 CNC1=NC=CC=C1C(=O)O BBL028242 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BBL036896 [0,0,0,0,1,0|1,0,0]=2 27 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] BBL009976 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.53 COC1=NC=CC=C1C(=O)O BBL011167 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.53 NNC1=CC=CC=C1C(=O)O BBL019027 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 BBL018811 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.53 O=CC1=CC=CC=C1C(=O)O BBL013693 [0,0,0,0,1,0|3,0,0]=4 32 B13R1.90 C(=O)C1=CC=CC=C1OCC(=O)O BBL009148 [0,0,0,0,0,1|3,0,0]=4 33 B13R1.90 COC1=C(NCC(=O)O)C=CC=C1 BBL012004 [0,0,0,0,0,1|2,0,0]=3 34 B13R1.90 COC1=CC=CC=C1OCC(=O)O BBL012084 [0,0,0,0,0,1|1,0,0]=2 35 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)Cl BBL015045 [0,0,0,0,0,1|2,0,0]=3 36 B13R1.90 N#CC1=C(OCC(=O)O)C=CC=C1 BBL038188 [0,0,0,0,0,1|3,0,0]=4 37 B13R1.90 NC(=O)COC1=C(C=O)C=CC=C1 BBL023191 [0,0,0,0,0,1|3,0,0]=4 38 B13R1.90 OC(=O)\C=C\C1=CC=CC=C1OC BBL013998 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.20 COC1=CC=CC=C1CN BBL027680 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.20 COC1=CC=CC=C1NN BBL022185 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.20 O=CC1=CC=CC=C1C=O BBL027435 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.20 [NH3+]NC1=C(OC)C=CC=C1 BBL002895 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.77 COC(=O)C1=CC=CC=C1OC BBL010503 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.121 COC1=CC=CC=C1OCCBr BBL027843 [1,1,0,0,0,0|0,0,1]=3 48 B12R1.121 COC1=CC=CC=C1OCCN BBL001425 [1,1,0,0,0,0|0,0,1]=3 49 B12R1.268 COC1=C(N=C=O)C=C(C)C=C1 BBL104390 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.268 COC1=C(N=C=O)C=C(Cl)C=C1 BBL037656 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 BBL017843 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.124 CC1=C(C(N)C(=O)O)C=CC=C1 BBL022169 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.127 CC(=O)NC1=C(Cl)C=CC(N)=C1 BBL031068 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.127 CC(=O)NC1=CC(N)=CC=C1C BBL023483 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BBL032135 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.224 CC1=C(Cl)C=CC=C1NC(N)=O BBL004957 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N BBL002359 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.233 CC(=O)NC1=CC=C(N)C=C1Cl BBL034240 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 BBL002053 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl BBL011217 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.371 O=C(CCl)NC1=CC=CC=C1Br BBL013421 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.371 O=C(CCl)NC1=CC=CC=C1I BBL029683 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 BBL023200 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.46 COC1=CC=C(N)C=C1[N+](=O)[O-] BBL002666 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.87 COC1=C(C(=O)Cl)C=CC=C1C BBL012044 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.87 COC1=C(C(=O)O)C=CC=C1C BBL002640 [0,1,0,0,1,0|1,0,0]=3 67 B14R1.840 COC1=CC=CC=C1C(=O)CC(C)=O BBL036991 [0,1,0,0,0,1|1,0,0]=3 68 B14R1.863 COC(=O)COC1=CC=CC=C1C=O BBL012653 [0,1,0,0,0,1|2,0,0]=4 69 B14R1.863 COC1=CC=CC=C1OCC(=O)NN BBL014290 [0,1,0,0,0,1|1,0,0]=3 70 B14R1.863 COC1=CC=CC=C1OCC(O)CO BBL009981 [0,1,0,0,0,1|0,0,2]=4 71 B14R1.1600 COC1=CC(C)=CC=C1OCC(=O)O BBL023553 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.1865 COC1=CC=C(Cl)C=C1\C=C\C(=O)O BBL002763 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.3135 COC1=C(OC(C)C(=O)O)C=CC=C1 BBL014313 [0,1,0,0,0,1|1,0,0]=3 74 B14R1.4522 CC(=O)C1=C(OCC(N)=O)C=CC=C1 BBL016565 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.4522 CC(C)C1=C(OCC(=O)O)C=CC=C1 BBL015072 [0,1,0,0,0,1|2,0,0]=4 76 B14R1.101 COC1=C(OC(C)C)C=CC(C=O)=C1 BBL013683 [0,2,0,0,0,0|1,0,1]=4 77 B14R1.101 COC1=C(OC(C)C)C=CC(CN)=C1 BBL008929 [0,2,0,0,0,0|1,0,1]=4 78 B14R1.101 COC1=CC(C=O)=CC=C1OC(C)=O BBL013704 [0,2,0,0,0,0|0,0,0]=2 79 B14R1.3417 COC(=O)NC1=C(OC)C=C(N)C=C1 BBL003384 [0,2,0,0,0,0|1,0,0]=3 80 B14R1.483 CCOC1=CC=CC=C1NC(=O)CCl BBL009400 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.965 CCC1=C(NC(=O)CCCl)C=CC=C1 BBL022643 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.965 CNCC(=O)NC1=C(OC)C=CC=C1 BBL011163 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.965 COC1=C(NC(=O)CCCl)C=CC=C1 BBL022624 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.965 COC1=C(NC(=O)CCN)C=CC=C1 BBL031402 [0,2,0,0,0,0|1,0,0]=3 85 B14R1.965 CSC1=C(NC(=O)CCCl)C=CC=C1 BBL015649 [0,2,0,0,0,0|1,1,0]=4 86 B14R1.2178 CCC1=CC=CC(C)=C1NC(=O)CCl BBL007583 [0,2,0,0,0,0|2,0,0]=4 87 B14R1.12200 COC1=C(Cl)C=C(Cl)C=C1CC(=O)O BBL021815 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.744 COC(=O)C1=C(NC(C)=O)C=CC=C1 BBL005358 [0,2,0,0,0,0|1,0,0]=3 89 B14R1.6721 CCOC1=CC=C(Br)C=C1CC(=O)O BBL020347 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.2180 COC1=C(OC(C)C)C(CN)=CC=C1 BBL033571 [0,2,0,0,0,0|1,0,1]=4 91 B14R1.3723 COC1=C(OC(C)C)C=C(C=O)C=C1 BBL016310 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBL011791 [0,0,1,1,0,0|2,0,0]=4 93 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [1,0,0,1,0,0|1,0,0]=3 94 B12R2.315 COC1=CC=CC2=C1C=CN2 BBL010878 [1,0,0,1,0,0|2,0,0]=4 95 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BBL015172 [0,0,0,1,0,1|2,0,0]=4 96 B14R2.781 CC(=O)C1COC2=C(C=CC=C2)O1 BBL028620 [0,0,0,1,0,1|0,0,0]=2 97 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BBL028382 [0,0,0,1,0,1|2,0,0]=4 98 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 BBL001421 [0,0,0,1,0,1|1,0,0]=3 99 B14R2.11625 COC1=C(OCC2CO2)C=CC=C1 BBL011260 [0,0,0,1,0,1|0,0,2]=4 100 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 BBL011299 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.741 NC1CCC2=CC=CC=C2NC1=O BBL011254 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br BBL010024 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.8053 CC(=O)N1CCC2=CC=CC(N)=C21 BBL025809 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.29365 CC1=CC(=O)OC2=CC(O)=CC=C12 BBL000531 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [1,0,0,0,1,0|0,0,0]=2 106 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [1,0,0,0,1,0|1,0,0]=3 107 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [1,0,0,0,1,0|2,0,0]=4 108 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [1,0,0,0,1,0|1,0,1]=4 110 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.61 O=C(O)C1=CC=CN=C1O BBL001459 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [1,0,0,0,1,0|1,0,0]=3