0 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB_SC-00565 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB_SC-10958 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 BB_SC-02829 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 BB_SC-11332 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 BB_SC-00668 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 BB_SC-10112 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 BB_SC-11610 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BB_SC-02529 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 BB_SC-11243 [0,0,0,0,0,0|2,1,0]=3 9 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 BB_SC-02514 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 BB_SC-05319 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.59 CC1=NN(C)C=C1C(=O)O BB_SC-05011 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.59 CC1=NN(C)C=C1C(C)N BB_SC-03714 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.59 CN1C=C(Br)C=C1C(=O)O BB_SC-11393 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.22 CC1=CC(C=O)=C(C)N1 BB_SC-05221 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.22 CC1=NN(C)C=C1C=O BB_SC-03694 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.22 CN1C=C(Br)C=C1C=O BB_SC-11392 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB_SC-04749 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.35 CC(=O)C1=CN(C)N=C1 BB_SC-10380 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.35 CC1=CC(C(=O)O)=NO1 BB_SC-09038 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.35 CC1=NC(C(=O)O)=CO1 BB_SC-07364 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.35 CC1=NNC(C(=O)O)=C1 BB_SC-01241 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 CC1=NOC(C(=O)O)=C1 BB_SC-09172 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.35 CN1C=C(C(=O)O)C=N1 BB_SC-06364 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.41 CC(=O)C1=CC=NN1C BB_SC-03698 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.41 CC1=C(C(=O)O)C=NN1 BB_SC-06431 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.41 CN1N=CC=C1C(=O)O BB_SC-06188 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB_SC-03763 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.50 CCN1C=C(C(=O)O)C(C)=N1 BB_SC-06370 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.50 CNC1=NC(C)=C(C(=O)O)S1 BB_SC-10926 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 BB_SC-05879 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 BB_SC-03842 [0,1,0,0,0,0|1,1,0]=3 33 B11R1.225 COC(=O)C1=CC(C)=NN1C BB_SC-11067 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.672 CC(=O)C1=C(C)N(C)C(=S)S1 BB_SC-00564 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.673 CC(=O)C1=C(C)N(C)N=C1C BB_SC-08553 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br BB_SC-09358 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl BB_SC-10153 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O BB_SC-05792 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 BB_SC-06878 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 BB_SC-09506 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 BB_SC-10583 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 BB_SC-06991 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BB_SC-08749 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.166 CC(=O)C1=CC=C(O)C=C1O BB_SC-06691 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BB_SC-10587 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 BB_SC-11357 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.166 CC1=NC(N)=NC=C1C(=O)O BB_SC-08707 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BB_SC-06880 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BB_NC-02592 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.167 CC(=O)C1=CC(O)=CC=C1O BB_SC-06838 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.1 CC1=CC=C(C=O)N1 BB_SC-08168 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.11 CC1=C(C=O)N=CN1 BB_SC-11224 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.11 CC1=C(C=O)SC=C1 BB_SC-02989 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.11 CN1C=CC=C1C=O BB_SC-05503 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.11 CN1N=CC=C1C=O BB_SC-10382 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.18 CC1=CC(=O)OC1=O BB_SC-06526 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.18 CC1=CC(C)=NN1C BB_SC-04032 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [2,0,0,0,0,0|0,1,0]=3 62 B8R1.7 O=C(O)C1=CSC=C1 BB_SC-09202 [2,0,0,0,0,0|1,1,0]=4 63 B10R1.35 CCN1C=C(C=O)C(C)=N1 BB_SC-03695 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.256 CC1=C(C)C(C=O)=C(C)N1 BB_SC-07967 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.256 CC1=NN(C)C(C)=C1C=O BB_SC-02519 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.256 N1C(C)=C(Br)C(C=O)=C1C BB_SC-11122 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.256 N1C(C)=C(I)C(C=O)=C1C BB_SC-11128 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.14 CCC(=O)C1=CN(C)N=C1 BB_SC-11582 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.14 COC(=O)C1=CC(C)=NN1 BB_SC-10065 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.149 COC(=O)C1=C(C)OC=C1 BB_SC-06791 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.192 CC(=O)C1=C(C)NN=C1C BB_SC-03697 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.192 CC1=NOC(C)=C1C(=O)O BB_SC-09511 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.57 COC1=CC(F)=CC=C1C(C)=O BB_SC-04593 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.57 COC1=NC(C)=CC=C1C(=O)O BB_SC-06268 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 BB_SC-04592 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 BB_SC-02796 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.1000 CC(=O)C1C(=O)C=C(C)OC1=O BB_NC-02186 [0,1,0,0,0,1|1,0,1]=4 78 B12R1.1000 CC1=CC(=O)OC(C)=C1C(=O)O BB_NC-00345 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(=O)N1 BB_SC-02371 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(Cl)=N1 BB_SC-11838 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 BB_NC-02804 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.532 CC1=NN(C)C(NC(=O)CN)=C1 BB_SC-11255 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.277 CCCN1C=C(C(C)=O)C(C)=N1 BB_SC-03930 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.1979 CCN1N=C(C)C(C(C)=O)=C1C BB_SC-03696 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.313 CCOC(=O)C1=C(N)SC(C)=C1 BB_SC-03843 [0,2,0,0,0,0|1,1,0]=4 86 B12R1.3443 COC(=O)C1=C(Br)C(C)=NN1C BB_SC-10058 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.3443 COC(=O)C1=C(N)SC(C)=C1C BB_SC-00001 [0,2,0,0,0,0|1,1,0]=4 88 B10R1.61 CC(=O)C1=C(C)C=CC=C1 BB_SC-06871 [0,0,1,1,0,0|1,0,1]=4 89 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [0,0,1,1,0,0|0,0,2]=4 90 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [1,0,0,0,0,1|2,0,0]=4 91 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [1,0,0,0,0,1|1,0,0]=3 92 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [1,0,0,0,0,1|2,0,0]=4 93 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [1,0,0,0,0,1|2,0,0]=4 94 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [1,0,0,0,0,1|2,0,0]=4 95 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [1,0,0,0,0,1|2,0,0]=4 96 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [1,0,0,0,0,1|2,0,0]=4 97 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB_NC-02200 [1,0,0,0,0,1|2,0,0]=4