0 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.8 O=C=NC1=CC=NC=C1 BB01-6559 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [0,1,0,0,0,0|1,1,0]=3 8 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [0,1,0,0,0,0|0,0,0]=1 9 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.40 NNC(=S)NC1=CC=CC=C1 BB12-2786 [0,1,0,0,0,0|2,1,0]=4 14 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,1,0,0,0,0|1,1,0]=3 15 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 BB12-2255 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 BB53-1496 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 BB53-1859 [0,1,0,0,0,0|2,0,1]=4 20 B11R2.10 CC1=NC2=CC=CC=C2O1 BB12-1505 [0,0,0,1,0,0|2,0,0]=3 21 B11R2.10 O=C1NC2=CC=CC=C2N1 BB12-1666 [0,0,0,1,0,0|2,0,0]=3 22 B11R2.10 S=C1NC2=NC=CC=C2O1 BB12-2264 [0,0,0,1,0,0|2,1,0]=4 23 B11R2.10 SC1=NC2=NC=CC=C2O1 BB12-1574 [0,0,0,1,0,0|2,1,0]=4 24 B9R1.6 NC(=S)C1=CC=NC=C1 BB12-3482 [0,0,0,0,1,0|2,1,0]=4 25 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [0,0,0,0,1,0|2,1,0]=4 26 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.13 N=C(N)CC1=CC=CS1 BB12-3709 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.13 O=C(O)CN1C=CN=C1 BB01-4993 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [0,0,0,0,0,1|1,1,0]=3 30 B11R1.91 NC(=S)COC1=CC=CN=C1 BB20-4557 [0,0,0,0,0,1|2,1,0]=4 31 B11R1.91 O=C(Cl)CSC1=NC=CC=C1 BB12-3011 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,0,0,0,0,1|0,0,0]=1 33 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.1 O\N=C\C1=CC=C(F)C=C1 BB12-1509 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.10 CC1=CC(\C=N\O)=CC=C1 BB20-3238 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [1,1,0,0,0,0|0,0,1]=3 44 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [0,1,0,0,1,0|1,0,0]=3 47 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [0,1,0,0,1,0|1,0,1]=4 48 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [0,1,0,0,1,0|1,0,0]=3 50 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [0,1,0,0,1,0|1,0,0]=3 51 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [0,1,0,0,1,0|1,0,0]=3 52 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB12-2030 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.61 NC1=C(C(=O)O)C=CN=C1 BB12-1728 [0,1,0,0,1,0|1,0,0]=3 54 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 BB12-3503 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.61 O=C(O)C1=CN=CNC1=O BB10-0517 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 BB20-4612 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.113 NC1=CC=CC(B(O)O)=C1 BB12-2221 [0,1,0,0,1,0|1,0,1]=4 58 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB17-0499 [0,1,0,0,1,0|1,0,0]=3 59 B10R1.23 NC(C(=O)O)C1=CC=CS1 BB56-0352 [0,1,0,0,1,0|1,0,0]=3 60 B10R1.54 CC1=CC=C(CC(=O)O)S1 BB56-0024 [0,1,0,0,1,0|1,0,0]=3 61 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 BB56-1329 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 BB53-1661 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [0,1,0,0,0,1|0,0,0]=2 64 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [0,1,0,0,0,1|0,0,0]=2 66 B12R1.21 O=C(O)CSC1=CC=C(Cl)N=N1 BB10-0312 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [0,1,0,0,0,1|0,0,1]=3 68 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,1,0,0,0,1|1,0,0]=3 69 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,1,0,0,0,1|1,0,0]=3 70 B12R1.27 NNC(=O)CSC1=NC=CC=C1 BB12-2576 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,1,0,0,0,1|0,0,0]=2 73 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [0,1,0,0,0,1|0,0,1]=3 74 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [0,1,0,0,0,1|0,0,0]=2 75 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [0,1,0,0,0,1|0,0,0]=2 76 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [0,1,0,0,0,1|0,0,0]=2 77 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [0,1,0,0,0,1|0,0,0]=2 78 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [0,1,0,0,0,1|0,0,0]=2 79 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [0,1,0,0,0,1|0,0,1]=3 80 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [0,1,0,0,0,1|0,0,1]=3 81 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C BB56-0554 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.19 O=C(O)CC1=CC=C(F)C(F)=C1 BB56-0510 [0,2,0,0,0,0|0,0,0]=2 83 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 BB12-4088 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 BB56-0268 [0,2,0,0,0,0|0,0,0]=2 85 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BB56-0239 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.49 CC1=CC=C(NC(=O)CS)C=C1 BB12-3950 [0,2,0,0,0,0|1,1,0]=4 87 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB17-0336 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [0,2,0,0,0,0|0,0,0]=2 89 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 BB12-3948 [0,2,0,0,0,0|1,1,0]=4 90 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 BB12-1100 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.106 O=S(=O)(Cl)CC1=CC=C(F)C=C1 BB01-5030 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.233 CC(=O)NC1=C(N)C=C(Br)C=C1 BB12-1697 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.233 CC(=O)NC1=C(N)C=C(C)C=C1 BB12-1696 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O BB12-2649 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.233 CC(=O)NC1=CC=C(N)C=C1Cl BB12-4714 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1F BB56-2547 [0,2,0,0,0,0|0,0,0]=2 97 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl BB56-2649 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 BB17-0243 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.124 CC1=CC=CC=C1C(N)C(=O)O BB56-0340 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 BB56-0238 [0,2,0,0,0,0|0,0,0]=2 101 B12R1.124 NC(C(=O)O)C1=CC=CC=C1F BB56-0262 [0,2,0,0,0,0|0,0,0]=2 102 B12R1.50 O=C(CCl)NC1=CC(I)=CC=C1 BB17-1406 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.371 N\C(CC1=C(Cl)C=CC=C1)=N/O BB01-3932 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.371 O=C(CS)NC1=C(Cl)C=CC=C1 BB12-3951 [0,2,0,0,0,0|1,1,0]=4 105 B12R1.371 O=C(CS)NC1=C(F)C=CC=C1 BB12-3952 [0,2,0,0,0,0|1,1,0]=4 106 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 BB20-1618 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 BB12-5051 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.127 CC(=O)NC1=C(N)C=CC(C)=C1 BB12-1695 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BB17-2624 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.127 CC1=CC=C(C)C(CC(=O)O)=C1 BB56-0458 [0,2,0,0,0,0|0,0,0]=2 111 B12R1.127 CC1=CC=C(Cl)C(CC(=O)O)=C1 BB56-1010 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 BB17-0870 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.224 CC(=O)NC1=CC=CC(N)=C1C BB17-0584 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.1009 CC(=O)NC1=C(C)C=CC=C1C BB12-5091 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.101 CC1=CC(CC(=O)O)=CC(F)=C1 BB56-2546 [0,2,0,0,0,0|0,0,0]=2 116 B12R1.101 CC1=NC(CC(=O)O)=CC(O)=N1 BB12-2024 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.119 O=S(=O)(Cl)CC1=CC(F)=CC=C1 BB01-5032 [0,2,0,0,0,0|1,0,1]=4 118 B12R2.24 O=C1COC2=CC=CN=C2N1 BB12-2193 [0,0,0,1,0,1|2,0,0]=4 119 B12R2.24 O=C1CSC2=CC=CC=C2N1 BB20-4697 [0,0,0,1,0,1|1,0,0]=3 120 B12R2.24 S=C1COC2=CC=CC=C2N1 BB10-0259 [0,0,0,1,0,1|1,1,0]=4 121 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 BB12-2735 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 BB56-2371 [0,1,0,1,0,0|1,0,0]=3 123 B12R2.606 CC1=CC2=CC(N)=CC=C2O1 BB12-1929 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 BB12-2964 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 BB12-1457 [0,1,0,1,0,0|1,0,0]=3 126 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 BB12-1458 [0,1,0,1,0,0|1,0,0]=3 127 B12R2.606 NC1=CC=C2NC(O)=NC2=C1 BB26-0788 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.606 NC1=NC2=CC=C(Cl)C=C2O1 BB12-3087 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 BB12-2723 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.606 O=C1NC2=CC=C(F)C=C2O1 BB12-1459 [0,1,0,1,0,0|1,0,0]=3 131 B12R2.606 OC1=NC2=CC=C(F)C=C2N1 BB17-0211 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [0,1,0,1,0,0|1,0,1]=4 133 B12R2.95 CC1(C)CC2=CC=CC=C2O1 BB12-2136 [0,1,0,1,0,0|1,0,1]=4 134 B12R2.202 CC1=C2N=C(S)OC2=CC=C1 BB12-1589 [0,1,0,1,0,0|1,1,0]=4 135 B12R2.202 CC1=C2OC(N)=NC2=CC=C1 BB17-0771 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.202 CC1=CC2=CC=CC(N)=C2O1 BB12-1928 [0,1,0,1,0,0|1,0,1]=4 137 B12R2.202 SC1=NC2=C(O1)C(Cl)=CC=C2 BB12-1564 [0,1,0,1,0,0|1,1,0]=4 138 B8R1.7 O=C(O)C1=CNN=C1 BB01-4399 [0,0,0,0,2,0|2,0,0]=4 139 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [0,0,0,0,2,0|2,0,0]=4 140 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [0,0,0,0,0,2|0,0,0]=2