0 B13R2.4825 NC1C(=O)NC2=C(Cl)C=CC=C21 BB12-1523 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O BB01-7339 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.18 CC1=NC2=CC=CC=C2N1C BB01-2782 [1,0,0,0,0,0|2,0,1]=4 3 B12R2.18 CN1C(=S)NC2=CC=CC=C21 BB54-2461 [1,0,0,0,0,0|1,1,0]=3 4 B12R2.18 CN1C2=CC=CC=C2N=C1Cl BB12-1469 [1,0,0,0,0,0|2,0,1]=4 5 B12R2.18 NC1=NC2=CC=CC=C2N1N BB58-3317 [1,0,0,0,0,0|2,0,1]=4 6 B12R2.196 CN1C=CC2=C(N)C=CC=C21 BB26-0150 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.196 ON1N=NC2=C1C=CC=C2Cl BB12-2042 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.202 CC1=C2N=C(S)OC2=CC=C1 BB12-1589 [1,0,0,0,0,0|1,1,1]=4 9 B12R2.202 CC1=C2NC(=O)CC2=CC=C1 BB12-1576 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.202 CC1=C2OC(N)=NC2=CC=C1 BB17-0771 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.202 CC1=NC2=C(C=CC=C2N)N1 BB54-1298 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.202 O=C1CC2=C(N1)C(Cl)=NC=C2 BB31-3670 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.2151 CC1=C(C=O)NC2=C(Cl)C=CC=C12 BB55-6978 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.2151 CC1=C2N=C(CN)N(C)C2=CC=C1 BB58-2032 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.2151 CC1=C2NC(C=O)=C(C)C2=CC=C1 BB57-0302 [0,1,0,0,0,0|2,0,0]=3 16 B14R2.4220 O=C1NC2=C(Cl)C=CC=C2\C1=N\O BB12-1528 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.8737 CC1=C(Cl)C=CC2=C1NC(=O)C2=O BB55-2377 [0,1,0,0,0,0|1,0,1]=3 18 B14R2.11645 CCC1=C2NC(=O)C(N)C2=CC=C1 BB12-1632 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O BB55-8698 [0,1,0,0,0,0|1,0,1]=3 20 B14R2.28485 CC1=C2C(=CC=C1)C(=O)C(=O)N2C BB12-1594 [0,1,0,0,0,0|1,0,1]=3 21 B14R2.28485 CC1=C2C(=CC=C1)C(N)C(=O)N2C BB12-1614 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.28485 CN1C(=O)C(=O)C2=CC=CC(Br)=C21 BB17-2251 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.28485 CN1C(=O)C(=O)C2=CC=CC(Cl)=C21 BB54-4052 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 BB31-4040 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.225 O=C(O)C(O)C1=CC=CC(Br)=C1 BB31-7632 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 BB55-4997 [0,0,1,0,0,0|2,0,0]=3 27 B12R1.371 CC1=CC=CC=C1NC(=S)NN BB01-7114 [0,0,1,0,0,0|1,1,0]=3 28 B12R1.371 O=C(CS)NC1=C(Cl)C=CC=C1 BB12-3951 [0,0,1,0,0,0|2,1,0]=4 29 B12R1.371 O=C(CS)NC1=C(F)C=CC=C1 BB12-3952 [0,0,1,0,0,0|2,1,0]=4 30 B14R2.8045 CC1=CC=CC2=C1N=C(C)C=C2O BB54-3148 [0,0,0,0,0,1|2,0,1]=4 31 B14R2.28472 NC1=C2NC(=O)C(=O)NC2=CC=C1 BB54-3281 [0,0,0,0,0,1|2,0,1]=4 32 B11R1.159 NC1=CC=CC(C(=O)O)=C1N BB54-3084 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 BB54-4112 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 BB01-2614 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 BB57-1173 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.157 CC1=CC(NC(=N)N)=CC=C1 BB57-2953 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 BB57-2957 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.40 NNC(=O)NC1=CC=CC=C1 BB55-2196 [1,0,1,0,0,0|1,0,0]=3 40 B11R1.40 NNC(=S)NC1=CC=CC=C1 BB12-2786 [1,0,1,0,0,0|1,1,0]=4 41 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB57-1136 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [1,0,1,0,0,0|1,1,0]=4 43 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.86 CC1=C(NC(N)=S)N=CC=C1 BB10-1286 [1,0,1,0,0,0|1,1,0]=4 45 B11R2.1 ON1N=NC2=CC=CC=C21 BB12-2781 [2,0,0,0,0,0|1,0,1]=4 46 B11R2.10 CC1=NC2=CC=CC=C2N1 BB01-2789 [2,0,0,0,0,0|1,0,1]=4 47 B11R2.10 O=C1NC2=CC=CC=C2N1 BB12-1666 [2,0,0,0,0,0|0,0,0]=2 48 B11R2.10 O=C1NC2=CC=CC=C2O1 BB01-7355 [2,0,0,0,0,0|1,0,0]=3 49 B11R2.106 CC1=C2N=NNC2=CC=C1 BB12-3009 [2,0,0,0,0,0|1,0,1]=4 50 B11R2.106 NC1=C2NC=NC2=CC=C1 BB12-1727 [2,0,0,0,0,0|1,0,1]=4 51 B13R1.22 CC1=CC=CC(N(C)C(=O)CCl)=C1 BB01-6629 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.642 COC1=CC=CC(C(O)C(=O)O)=C1 BB31-5338 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.40 CC1=C(Cl)C=CC=C1NC(=O)CBr BB17-0223 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.40 CC1=C(F)C=CC=C1NC(=O)CBr BB17-0282 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.40 CC1=C(NC(=O)CCl)C=CC=C1Br BB17-1404 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1O BB12-3041 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.470 CC1=C(NC(=O)\C=N\O)C=CC=C1 BB12-1558 [0,1,1,0,0,0|0,0,1]=3 58 B13R1.470 O=C(\C=N\O)NC1=C(Cl)C=CC=C1 BB12-1535 [0,1,1,0,0,0|1,0,1]=4 59 B13R1.470 O=C(\C=N\O)NC1=C(F)C=CC=C1 BB12-1448 [0,1,1,0,0,0|1,0,1]=4 60 B13R1.696 CNC(=O)C(=O)C1=C(C)C=CC=C1 BB12-1629 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.2679 CC1=CC(Cl)=CC=C1NC(=O)CBr BB17-0229 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.2679 CC1=CC(F)=CC=C1NC(=O)CBr BB17-0279 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.2679 CCC(=O)NC1=C(C)C=C(N)C=C1 BB32-2258 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.2679 NNC(=O)NC1=CC=C(Cl)C=C1Cl BB12-2782 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.2872 CC1=CC=C(Cl)C=C1NC(=O)CBr BB17-0220 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.2872 CC1=CC=C(F)C=C1NC(=O)CBr BB17-0290 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.4928 CC1=C(NC(=O)CBr)C(Cl)=CC=C1 BB17-0278 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.4928 CC1=CC=CC(C)=C1NC(=O)CBr BB17-0285 [0,1,1,0,0,0|2,0,0]=4 69 B13R2.45 CN1C(C=O)=CC2=CC=CC=C21 BB12-2226 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2N1 BB01-2135 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.135 O=CC1C(=O)NC2=CC=CC=C21 BB55-6124 [1,1,0,0,0,0|1,0,1]=4 72 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 BB57-2349 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3028 CN1C(=O)OC2=CC=C(N)C=C21 BB57-6507 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.3028 NC1C(=O)NC2=CC=C(Cl)C=C21 BB12-1579 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1O BB58-3099 [1,1,0,0,0,0|1,0,0]=3 76 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 BB12-1449 [1,1,0,0,0,0|1,0,1]=4 77 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 BB12-1567 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 BB12-2126 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.4856 CC1=C2C(=O)C(=O)NC2=CC=C1 BB55-7561 [1,1,0,0,0,0|1,0,1]=4 80 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 BB55-7560 [1,1,0,0,0,0|1,0,1]=4 81 B13R2.5190 CN1C(=O)CC2=CC(Br)=CC=C21 BB12-1851 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.5190 CN1C(=O)OC2=CC(N)=CC=C21 BB57-7094 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O BB55-2378 [1,1,0,0,0,0|1,0,1]=4 84 B13R2.9 CC1=C2NC=C(C=O)C2=CC=C1 BB57-4234 [1,1,0,0,0,0|1,0,1]=4 85 B13R2.54 CC1=C2N=C(CO)NC2=CC=C1 BB58-1840 [1,1,0,0,0,0|0,0,2]=4 86 B13R2.54 CC1=C2N=C(NN)NC2=CC=C1 BB12-1586 [1,1,0,0,0,0|1,0,1]=4 87 B13R2.581 CCC1=C2NC(=O)CC2=CC=C1 BB17-0212 [1,1,0,0,0,0|1,0,0]=3 88 B13R2.3050 CC1=CC=C2NC(C)=NC2=C1C BB58-1925 [1,1,0,0,0,0|1,0,1]=4 89 B13R2.5397 CC1=CC2=C(NC(=S)N2)C(C)=C1 BB57-4971 [1,1,0,0,0,0|0,1,0]=3 90 B15R2.13463 CC1=C2NC(C(N)=O)=C(C)C2=CC=C1 BB58-1348 [0,2,0,0,0,0|2,0,0]=4 91 B15R2.37842 CC1=C2C(=CC=C1)\C(=N\O)C(=O)N2C BB12-1609 [0,2,0,0,0,0|1,0,0]=3 92 B15R2.59799 CC1=CC(Br)=CC2=C1N(C)C(=O)C2=O BB54-5323 [0,2,0,0,0,0|1,0,1]=4 93 B13R2.369 NC1CC2=CC=CC=C2NC1=O BB55-4907 [0,0,1,1,0,0|2,0,0]=4 94 B13R1.528 CC1=C(NCC(=O)NN)C=CC=C1 BB12-2612 [0,0,1,0,0,1|1,0,0]=3 95 B13R2.32 O=C1C=CC2=C(C=CC=C2)N1O BB58-1194 [1,0,0,0,0,1|1,0,0]=3 96 B13R2.328 O=C1N=[N+]([O-])C2=CC=CC=C2N1 BB12-1595 [1,0,0,0,0,1|0,0,2]=4