0 B10R1.59 CC1=C(C(=O)O)OC(Br)=N1 O10680 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.59 CC1=C(C(=O)O)OC(I)=N1 O10805 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.59 CC1=CN(N)C(C(N)=O)=C1 P11521 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.59 CC1=NC(C(=O)O)=C(Br)S1 AT26863 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.59 CC1=NN(C)C(C(=O)[O-])=N1 AT21352 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.59 CN1C=C(C(=O)O)C(Cl)=N1 AT10390 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.59 CN1NC(=O)C=C1C(=O)O D72123 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.22 CC1=CC(CN)=C(C)N1 D77198 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.22 CC1=CN(C)N=C1C=O AT14213 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.22 CC1=NC(Cl)=C(C=O)N1 AT26175 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.22 CC1=NN(C)C(C=O)=N1 AT21381 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.22 CN1C=C(C=O)C(Cl)=N1 AT14259 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.22 CN1N=C(Br)C=C1C=O 97705 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 CC(=O)C1=CC(N)=NN1 P14350 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.35 CC1=CC([C@H](C)O)=NO1 AT19829 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.41 CC(=O)C1=NC=NN1C AT12450 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.41 CC1=C(C(=N)N)N=CO1 58495 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.41 CC1=C(C(=O)O)C=NS1 AT21135 [1,0,0,0,0,0|2,1,0]=4 24 B11R1.225 CC1=NN(C)C=C1C(=O)NN D86060 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.225 COC(=O)C1=C(Br)OC(C)=C1 D76216 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.225 COC(=O)C1=C(O)N=C(C)S1 E10181 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.225 COC(=O)C1=CN(C)N=C1Br AT10394 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.673 CC(=O)C1=C(Cl)N(C)N=C1C AT26240 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.673 CC(=O)C1=C(O)[C@H](C)OC1=O W15603 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.74 CC(=O)C1=NC(Cl)=NC(Cl)=C1 91060 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.74 CC1=CC(C(=O)O)=CC(F)=N1 AT21700 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.74 CC1=NC(Br)=NC(C(=O)O)=C1 AT21615 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1N AC9826 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O AT21120 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.166 CC1=C(C(=O)O)N=CC(Cl)=N1 AT24109 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 O10299 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.167 CC(=O)C1=C(C)N=CC(N)=C1 O10300 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.167 CC(=O)C1=CC(Br)=CN=C1O AT20305 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.167 CC(=O)C1=CC(Cl)=CN=C1O AT20998 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.167 CC(=O)C1=CC(F)=CN=C1O AT21104 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.167 CC1=C(C(=O)O)C=C(N)N=C1 AT18131 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=N1 AT24032 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.167 CC1=CN=C(Cl)C=C1C(=O)O AT21681 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.1 CC1=CC(C=O)=NS1 F14135 [2,0,0,0,0,0|1,1,0]=4 47 B8R1.1 CC1=COC(C=O)=C1 P11782 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.11 CC1=C(C=O)C=NO1 AT19886 [2,0,0,0,0,0|1,0,0]=3 50 B8R1.11 CC1=NOC=C1C=O C77412 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.18 CC1=NC(C)=C(Br)O1 AT18671 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [2,0,0,0,0,0|1,1,0]=4 53 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.32 COC1=NN(C)C=C1C=O AT14018 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.35 COC1=NN(C)C(C=O)=C1 AT20107 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.14 CCC(=O)C1=NOC(N)=C1 88478 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.31 COC1=NSC(C(C)=O)=C1 AT11832 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.194 CC(=O)C1=C(F)N(C)N=C1 E73005 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.39 COC1=NSC=C1C(C)=O AT11831 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.149 COC(=O)C1=C(Cl)NC=C1 AT16177 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.452 CC1=C(C(=O)O)C=NC(CO)=N1 AT18297 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.1703 COC(=O)C1=C(C)N=C(Cl)C=N1 55087 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.1703 COC(=O)C1=NC=C(O)C=C1C AC8222 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.46 COC1=C(C(C)=O)C=C(C)C=N1 D74378 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.46 COC1=CC=C(C)N=C1C(C)=O AT25055 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.354 COC(=O)C1=C(Br)C=NC(C)=C1 AC9248 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.354 COC(=O)C1=C(C)C=NC(N)=C1 AT18126 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.608 COC(=O)C1=CC(CO)=CN1C AT25480 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.313 CCOC(=O)C1=C(C)N=C(C)N1 AT10446 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.3443 COC(=O)C1=C(C)OC(C)=C1Br D76215 [0,2,0,0,0,0|0,0,0]=2 71 B10R2.32 O=C1CCC2=C1N=CO2 AT24635 [1,0,0,1,0,0|1,0,0]=3 72 B10R2.32 O=C1CCC2=C1N=CS2 AT24601 [1,0,0,1,0,0|1,1,0]=4 73 B10R2.32 O=C1CCC2=C1OC=C2 D74775 [1,0,0,1,0,0|2,0,0]=4 74 B10R2.32 O=C1CCC2=C1OC=N2 AT24607 [1,0,0,1,0,0|2,0,0]=4 75 B10R2.32 O=C1CCC2=C1SC=N2 AT24604 [1,0,0,1,0,0|2,0,0]=4 76 B10R2.32 O=C1CCN2N=CC=C12 D73593 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.612 O=C1CCC2=C1C=CC(Br)=N2 D72218 [0,0,0,1,0,1|2,0,0]=4 78 B12R2.612 O=C1CCC2=CC(Cl)=NC=C12 AT11786 [0,0,0,1,0,1|2,0,0]=4 79 B12R2.202 O=C1NCCC2=C1C=C(Br)N2 D75872 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.202 O=C1NCCC2=C1C=C(I)N2 D75873 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.8 CC1=CC(C=O)=NC(C)=N1 P20556 [1,0,0,0,0,1|1,0,0]=3 82 B10R1.8 CCC1=CC(C)=CC(C)=C1 T73084 [1,0,0,0,0,1|1,0,1]=4 83 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [1,0,0,0,0,1|2,0,0]=4 84 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [1,0,0,0,0,1|2,0,0]=4 85 B10R1.13 CC(=O)C1=CN=C(N)N=C1 O10258 [1,0,0,0,0,1|2,0,0]=4