0 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 BB32-2687 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 BB31-8661 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.252 OB(O)C1=CC2=C(C=CS2)S1 BB31-3103 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.400 NC1=NC2=C(C=C(C(=O)O)S2)S1 BB52-1747 [0,1,0,0,0,0|3,0,0]=4 4 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 BB01-3299 [0,1,0,0,0,0|2,0,0]=3 5 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 BB51-1025 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O BB32-1298 [0,0,1,0,0,0|0,0,2]=3 7 B11R1.124 CCSC1=CC=C(C(=O)O)S1 BB05-3105 [0,0,1,0,0,0|1,0,2]=4 8 B13R2.430 CC(=O)C1=CN=C2NC=CC2=C1 BB31-4861 [0,0,0,0,0,1|2,0,1]=4 9 B13R2.430 NC(=O)C1=CC2=C(C=C1)NC=C2 BB31-5526 [0,0,0,0,0,1|3,0,0]=4 10 B13R2.430 O=C(O)C1=CC2=C(C=CS2)N=C1 BB31-0546 [0,0,0,0,0,1|1,0,0]=2 11 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 BB31-2354 [0,0,0,0,0,1|1,1,0]=3 12 B13R2.430 O=C(O)C1=CN=C2C=NNC2=C1 BB31-1244 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.430 O=C(O)C1=CN=C2NC=NC2=C1 BB31-4285 [0,0,0,0,0,1|2,0,1]=4 14 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 BB31-1646 [0,0,0,0,0,1|1,0,1]=3 15 B13R2.430 O=C(O)C1=NC=C2NN=CC2=C1 BB31-1260 [0,0,0,0,0,1|2,0,1]=4 16 B13R2.430 OB(O)C1=CC2=C(C=C1)SC=C2 BB31-6709 [0,0,0,0,0,1|2,0,1]=4 17 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 BB32-0448 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 BB32-1130 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 BB52-4124 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 BB31-5523 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.435 NC(=S)C1=CC2=C(C=CC=C2)N1 BB32-3186 [0,0,0,0,0,1|2,1,0]=4 22 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 BB32-0944 [0,0,0,0,0,1|1,0,0]=2 23 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 BB31-4928 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.435 O=C(O)C1=CC2=C(CCCC2)N1 BB31-1705 [0,0,0,0,0,1|1,0,2]=4 25 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 BB32-1633 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 BB31-4743 [0,0,0,0,0,1|2,0,1]=4 27 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 BB31-5215 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 BB31-3273 [0,0,0,0,0,1|2,0,1]=4 29 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 BB51-0827 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.543 O=C(O)CC1=CN2C=CSC2=N1 BB54-4168 [0,0,0,0,0,1|1,0,1]=3 31 B10R1.31 CSC1=CC=C(C(=O)O)S1 BB31-4118 [1,0,1,0,0,0|1,0,1]=4 32 B10R1.31 N#CC1=CNC(C(=O)O)=C1 BB31-7046 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.31 O=CC1=CC=C(C(=O)O)S1 BB51-1200 [1,0,1,0,0,0|2,0,0]=4 34 B14R2.601 CC1=CC2=C(C=C(C(=O)O)C=C2)N1 BB32-3744 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.601 CC1=CC2=C(C=C(C(=O)O)SC2)S1 BB51-1593 [0,1,0,0,0,1|1,0,1]=4 36 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)N1 BB32-2930 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)S1 BB52-0734 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 BB52-0994 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.624 CC1=C(C(=O)O)C=C2NC=CC2=C1 BB31-0472 [0,1,0,0,0,1|2,0,0]=4 40 B14R2.624 O=C(O)C1=C(Cl)C=C2C=CNC2=C1 BB31-1499 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.624 O=C(O)C1=C(Cl)C=C2NC=CC2=C1 BB32-0971 [0,1,0,0,0,1|2,0,0]=4 42 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=C2 BB31-6236 [0,1,0,0,0,1|1,1,0]=4 43 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=N2 BB31-7655 [0,1,0,0,0,1|2,0,0]=4 44 B14R2.966 COC(=O)C1=CC2=C(C=N1)SC=C2 BB32-1763 [0,1,0,0,0,1|0,0,1]=3 45 B14R2.966 COC(=O)C1=CC=C2C=CNC2=C1 BB52-6145 [0,1,0,0,0,1|2,0,0]=4 46 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 BB31-0212 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.966 COC(=O)C1=NC2=C(C=CN2)C=C1 BB31-1271 [0,1,0,0,0,1|1,0,1]=4 48 B14R2.966 COC(=O)C1=NC=C2NC=CC2=C1 BB31-2613 [0,1,0,0,0,1|1,0,1]=4 49 B14R2.5719 CC1=CNC2=C1C=CC(C(=O)O)=C2 BB31-3949 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.5719 CC1=CSC2=C1CSC(C(=O)O)=C2 BB51-1594 [0,1,0,0,0,1|1,0,1]=4 51 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CN=C21 BB31-7266 [0,1,0,0,0,1|1,0,1]=4 52 B14R2.5998 O=C(O)C1=C(Cl)C2=C(C=CN2)C=C1 BB31-9467 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.5998 O=C(O)C1=C(Cl)C2=C(C=CS2)N=C1 BB31-7387 [0,1,0,0,0,1|1,0,0]=3 54 B14R2.5998 O=C(O)C1=CN=C2SC=CN2C1=O BB52-1709 [0,1,0,0,0,1|1,0,1]=4 55 B14R2.5998 O=C(O)C1=CNC2=C(SC=C2)C1=O BB31-7499 [0,1,0,0,0,1|1,0,0]=3 56 B14R2.8824 CC1=C2NC=CC2=CC(C(=O)O)=C1 BB31-3510 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.8824 O=C(O)C1=CC(F)=C2C=CNC2=C1 BB31-4793 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.24358 CC1=CNC2=C1C=C(C(=O)O)C=C2 BB32-3171 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 BB52-0581 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 BB31-5807 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 BB32-1371 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 BB52-5905 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.450 NC1=C(C(=O)O)SC2=NC=CN=C21 BB32-2983 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)S1 BB31-8559 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.972 COC(=O)C1=CC2=CC=CN=C2S1 BB32-0535 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 BB31-7591 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 BB31-0318 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.4529 CC1=CC2=C(N=C1)NC(C(=O)O)=C2 BB31-5257 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 BB32-2611 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 BB31-4369 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 BB31-4948 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)N1 BB31-4833 [0,1,0,0,0,1|1,0,0]=3 73 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 BB31-2334 [0,1,0,0,0,1|1,0,0]=3 74 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 BB31-6840 [0,1,0,0,0,1|1,0,0]=3 75 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 BB31-6928 [0,1,0,0,0,1|1,0,0]=3 76 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 BB31-7332 [0,1,0,0,0,1|1,0,0]=3 77 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)C=C2N1 BB31-5024 [0,1,0,0,0,1|1,0,0]=3 78 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 BB31-1436 [0,1,0,0,0,1|1,0,0]=3 79 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 BB31-9359 [0,1,0,0,0,1|1,0,0]=3 80 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2N1 BB52-8433 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2N1 BB52-8434 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 BB31-3400 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 BB32-0840 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BB52-6028 [0,1,0,0,0,1|1,0,0]=3 85 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 BB32-0067 [0,1,0,0,0,1|1,0,0]=3 86 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 BB31-6787 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 BB31-0220 [0,1,0,0,0,1|1,0,0]=3 88 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BB52-6029 [0,1,0,0,0,1|1,0,0]=3 89 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 BB52-6030 [0,1,0,0,0,1|1,0,0]=3 90 B14R2.5615 CC1=CSC2=NC(CC(=O)O)=CN12 BB54-4139 [0,1,0,0,0,1|1,0,1]=4 91 B14R2.648 CC1=CC2=C(C=C(C(=O)O)N2C)S1 BB51-1044 [0,2,0,0,0,0|2,0,0]=4 92 B14R2.648 CN1C(C(=O)O)=CC2=C1C=C(Br)S2 BB51-1040 [0,2,0,0,0,0|2,0,0]=4 93 B14R2.10815 COC(=O)C1=CC2=C(C=C(Br)O2)N1 BB51-1068 [0,2,0,0,0,0|2,0,0]=4 94 B14R2.10815 COC(=O)C1=CC2=C(C=C(Br)S2)N1 BB51-1179 [0,2,0,0,0,0|2,0,0]=4 95 B14R2.10815 COC(=O)C1=CC2=C(C=C(Cl)S2)N1 BB51-1181 [0,2,0,0,0,0|2,0,0]=4 96 B14R2.839 CCOC(=O)C1=CC2=C(C=CO2)N1 BB51-1065 [0,2,0,0,0,0|2,0,0]=4 97 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 BB51-1178 [0,2,0,0,0,0|2,0,0]=4 98 B14R2.970 COC(=O)C1=CC2=C(C=CO2)N1C BB01-6714 [0,2,0,0,0,0|2,0,0]=4 99 B14R2.970 COC(=O)C1=CC2=C(C=CS2)N1C BB01-6710 [0,2,0,0,0,0|2,0,0]=4 100 B14R2.10637 COC(=O)C1=CC2=C(CCC2=O)N1 BB31-8881 [0,2,0,0,0,0|1,0,1]=4 101 B14R2.10637 COC(=O)C1=CC2=C(N1)C(Br)=CS2 BB31-8874 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 BB31-0809 [0,0,1,0,1,0|0,0,1]=3 103 B12R1.264 O=C(O)C(=O)NCC1=CC=CO1 BB52-9133 [0,0,1,0,0,1|1,1,0]=4 104 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 BB32-2985 [1,0,0,0,0,1|1,0,0]=3 105 B12R2.32 O=CC1=CC2=CC=CN=C2S1 BB32-2422 [1,0,0,0,0,1|2,0,0]=4 106 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 BB31-3916 [1,0,0,0,0,1|2,0,0]=4 107 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 BB31-0189 [1,0,0,0,0,1|1,0,0]=3 108 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 BB32-3418 [1,0,0,0,0,1|1,0,0]=3 109 B12R2.44 O=CC1=NC=C2NC=CC2=C1 BB31-1647 [1,0,0,0,0,1|1,0,1]=4 110 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 BB31-3819 [1,0,0,0,0,1|1,0,1]=4 111 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BB51-1488 [0,0,0,0,0,2|2,0,0]=4 112 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 BB31-9318 [0,0,0,0,0,2|1,0,1]=4 113 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 BB31-4766 [0,0,0,0,0,2|2,0,0]=4 114 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 BB31-4784 [0,0,0,0,0,2|2,0,0]=4 115 B14R2.781 O=C(O)C1=CC2=CN=CC=C2N=C1 BB31-0243 [0,0,0,0,0,2|1,0,1]=4 116 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)NC=C2 BB32-2108 [0,0,0,0,0,2|2,0,0]=4 117 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OC=C2 BB31-5580 [0,0,0,0,0,2|1,1,0]=4 118 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 BB52-0905 [0,0,0,0,0,2|2,0,0]=4