0 B14R2.8239 CC1=CC=C2N=C(C)C(=O)NC2=C1 BB51-0034 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.8239 CC1=CC=C2OC(C)C(=O)NC2=C1 BB51-0721 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.8239 CC1=NC2=CC=C(Cl)C=C2NC1=O BB51-0033 [0,0,0,0,0,0|2,1,0]=3 3 B14R2.8239 O=C1NC2=C(C=C(F)C=C2)NC1=O BB32-3579 [0,0,0,0,0,0|1,0,1]=2 4 B13R2.155 CC1=CC=C2C=CC(O)=CC2=C1 BB31-4440 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.155 FC1=NC=C2C=CC(Br)=CC2=C1 BB31-6327 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=N1 BB31-0461 [1,0,0,0,0,0|1,1,1]=4 7 B13R2.155 O=C1C=CC2=C(N=C(Cl)C=C2)N1 BB31-3066 [1,0,0,0,0,0|1,1,0]=3 8 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 BB31-2544 [1,0,0,0,0,0|0,1,2]=4 9 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)C1 BB31-4546 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 BB32-2803 [1,0,0,0,0,0|0,0,2]=3 11 B13R2.155 O=C1CSC2=C(C=C(Br)C=C2)N1 BB31-7151 [1,0,0,0,0,0|1,1,1]=4 12 B13R2.155 O=C1N=CC2=C(C=C(Br)C=C2)N1 BB31-7113 [1,0,0,0,0,0|1,1,0]=3 13 B13R2.155 OC1=CC=C2C=CC(Cl)=CC2=C1 BB31-7817 [1,0,0,0,0,0|1,1,1]=4 14 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 BB32-2025 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.369 CC1=CC2=CC=CC=C2C=C1O BB31-5686 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.369 CC1=NC2=CC=CC=C2C=C1Cl BB31-0296 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br BB32-2439 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br BB31-7389 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br BB31-7203 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.3683 BrC1=CC=C2C=C(I)C=CC2=C1 BB32-1777 [1,0,0,0,0,0|2,1,0]=4 21 B13R2.3683 BrC1=CN=C2C=C(I)C=CC2=C1 BB32-0044 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.3683 ClC1=CN=C2C=C(Br)C=CC2=C1 BB31-1088 [1,0,0,0,0,0|1,1,1]=4 23 B13R2.3683 FC1=CC=C2C=C(Br)C=NC2=C1 BB32-1201 [1,0,0,0,0,0|1,0,1]=3 24 B13R2.3683 FC1=CN=C2C=C(Br)C=CC2=C1 BB31-2087 [1,0,0,0,0,0|1,1,1]=4 25 B13R2.3683 NC1=CN=C2C=C(Br)C=CC2=C1 BB31-1580 [1,0,0,0,0,0|1,1,1]=4 26 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 BB32-1301 [1,0,0,0,0,0|1,1,0]=3 27 B13R2.3683 OC1=CC=C2C=C(Cl)C=NC2=C1 BB31-1518 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 BB31-1684 [1,0,0,0,0,0|1,0,0]=2 29 B15R2.1754 N#CC1=CC2=C(C=C(O)C=C2)OC1=O BB31-3987 [0,1,0,0,0,0|3,0,0]=4 30 B15R2.1754 O=CC1=CC2=C(C=C(Cl)C=C2)NC1=O BB31-6918 [0,1,0,0,0,0|0,1,1]=3 31 B15R2.1824 O=CC1=CC2=CC(F)=CC=C2N=C1Cl BB52-1721 [0,1,0,0,0,0|3,0,0]=4 32 B15R2.62227 CC1=CC2=C(C=C1C)NC(=O)C(=O)N2 BB31-4296 [0,1,0,0,0,0|2,0,1]=4 33 B15R2.62227 CC1=NC2=CC(C)=C(C)C=C2NC1=O BB51-0032 [0,1,0,0,0,0|3,0,0]=4 34 B15R2.62227 OC1=CC2=CC(Br)=C(O)C=C2C=C1Br BB31-0884 [0,1,0,0,0,0|3,0,0]=4 35 B15R2.63893 CC1=C(C)C2=CC=C(O)C=C2OC1=O BB52-0834 [0,1,0,0,0,0|3,0,0]=4 36 B15R2.63893 CC1=C(Cl)C(=O)OC2=CC(O)=CC=C21 BB52-0881 [0,1,0,0,0,0|3,0,0]=4 37 B15R2.63893 CC1=C(F)C(=O)OC2=CC(O)=CC=C21 BB52-0421 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 BB31-1106 [0,0,1,0,0,0|1,0,2]=4 39 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 BB32-2874 [0,0,0,0,1,0|3,0,0]=4 40 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 BB31-7518 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.50 NNC(=O)NC1=CC=CC(F)=C1 BB31-0577 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.233 NC1=C(CC(=O)O)C=CC(Cl)=C1 BB31-3653 [1,0,1,0,0,0|0,1,1]=4 43 B12R2.24 FC1=CC2=CC=CC=C2N=C1 BB32-1722 [2,0,0,0,0,0|1,0,1]=4 44 B12R2.24 FC1=NC2=CC=CC=C2C=C1 BB31-4902 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.24 IC1=CC2=CC=CC=C2N=C1 BB31-6878 [2,0,0,0,0,0|1,0,1]=4 46 B12R2.24 NC1=CC2=CC=CC=C2N=C1 BB52-6146 [2,0,0,0,0,0|1,0,1]=4 47 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 BB31-0331 [2,0,0,0,0,0|1,0,0]=3 48 B14R2.134 COC1=CC2=C(C=C1)N=CC(=O)N2 BB32-2749 [1,1,0,0,0,0|2,0,0]=4 49 B14R2.4513 CN1C(=O)C=NC2=C1C=C(Br)C=C2 BB31-6765 [1,1,0,0,0,0|1,1,0]=4 50 B14R2.4513 O=C1C=CC2=CC=C(F)C(Br)=C2N1 BB31-0050 [1,1,0,0,0,0|0,0,0]=2 51 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(S)=C2 BB31-2060 [1,1,0,0,0,0|2,0,0]=4 52 B14R2.29365 CC1=CC=C2C(O)=CC(=O)NC2=N1 BB31-8938 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.29365 CC1=NC2=CC(F)=CC=C2C(Cl)=C1 BB31-5919 [1,1,0,0,0,0|1,0,1]=4 54 B14R2.29365 O=C1C=C(Cl)C2=C(C=C(O)C=C2)O1 BB96-0849 [1,1,0,0,0,0|2,0,0]=4 55 B14R2.29365 O=C1C=C(O)C2=C(C=C(F)C=C2)O1 BB31-8180 [1,1,0,0,0,0|1,0,0]=3 56 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 BB52-1464 [1,1,0,0,0,0|1,1,0]=4 57 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O BB31-5802 [1,1,0,0,0,0|1,0,1]=4 58 B14R2.1128 O=C1NC2=C(C=CC=C2)C=C1CO BB31-7473 [1,1,0,0,0,0|0,0,0]=2 59 B14R2.1128 O=CC1=CC2=C(C=CC=C2)OC1=O BB52-7366 [1,1,0,0,0,0|1,0,1]=4 60 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O BB31-5796 [1,1,0,0,0,0|1,0,0]=3 61 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BB31-1316 [1,1,0,0,0,0|1,0,1]=4 62 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O BB32-0539 [1,1,0,0,0,0|1,0,0]=3 63 B14R2.2332 C=CC1=CC=C2C=C(O)C=CC2=C1 BB31-2043 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.2332 CCC1=CC=C2C=C(O)C=CC2=C1 BB31-3917 [1,1,0,0,0,0|2,0,0]=4 65 B14R2.2332 NCC1=CC=C2C=C(O)C=CC2=C1 BB31-3902 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.2332 OCC1=CC=C2C=C(F)C=CC2=N1 BB31-3257 [1,1,0,0,0,0|2,0,0]=4 67 B14R2.29369 OC1=CC=C2C=C(Br)C=CC2=C1F BB32-2847 [1,1,0,0,0,0|1,1,0]=4 68 B14R2.8737 CC1=CC=C2C(=O)C(=O)NC2=C1C BB52-1466 [0,1,0,0,1,0|1,0,1]=4 69 B14R2.8737 O=C1NC2=C(C=CC(F)=C2F)C1=O BB31-3043 [0,1,0,0,1,0|0,0,1]=3 70 B14R2.8737 O=C1NC2=C(Cl)C(Cl)=CC=C2C1=O BB52-1470 [0,1,0,0,1,0|0,1,1]=4 71 B14R2.27750 O=C1NC2=CC(Br)=CC(Br)=C2C1=O BB32-0420 [0,1,0,0,1,0|0,1,1]=4 72 B16R2.37660 COC1=CC2=C(C=C1)C=C(C=O)C(=O)N2 BB31-0194 [0,2,0,0,0,0|1,0,1]=4 73 B14R2.4529 CC(=O)C1=CC2=C(C=C(Br)C=C2)O1 BB31-9406 [0,0,1,1,0,0|1,1,0]=4 74 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 BB31-7591 [0,0,1,1,0,0|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 BB32-2611 [0,0,1,1,0,0|1,1,0]=4 76 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 BB31-4369 [0,0,1,1,0,0|1,0,0]=3 77 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 BB31-4948 [0,0,1,1,0,0|2,0,0]=4 78 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(F)C=C1 BB31-5933 [0,0,1,1,0,0|0,0,2]=4 79 B14R2.8620 O=C1NC2=C(Br)C=CC(F)=C2C1=O BB31-1065 [0,0,1,1,0,0|1,0,1]=4 80 B12R2.132 O=C1N=CC2=C1C=C(I)C=C2 BB31-7444 [1,0,0,0,1,0|1,1,0]=4 81 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 BB32-3138 [1,0,0,0,1,0|1,1,0]=4 82 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 BB32-2243 [1,0,0,0,1,0|2,0,0]=4 83 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 BB32-3305 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.606 FC1=CC=C2N=C(S)NC2=C1 BB52-8605 [1,0,0,0,1,0|1,1,0]=4 85 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O BB31-7685 [1,0,0,0,1,0|1,0,1]=4 86 B12R2.612 CC1=NNC2=C1C=CC(F)=C2 BB31-3058 [1,0,0,0,1,0|2,0,0]=4 87 B12R2.612 NC1=CC2=C(C=C1)C(O)=NN2 BB32-2957 [1,0,0,0,1,0|2,0,0]=4 88 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 BB31-6674 [1,0,0,0,1,0|1,0,1]=4 89 B14R2.738 CC1=NC2=CC=CC=C2NC(=O)C1 BB52-1545 [1,0,0,0,0,1|2,0,0]=4