0 B7R1.1 c1c(ncs1)C#N A2Z00096042 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 c1c[nH]nc1CO A2Z00038634 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.1 c1cc([nH]c1)CN A2Z00061420 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.1 c1cnoc1CO A2Z00096001 [0,0,0,0,0,0|1,0,2]=3 4 B7R1.1 c1cocc1C#N A2Z00085490 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 c1csc(n1)CN A2Z00061547 [0,0,0,0,0,0|2,1,1]=4 6 B7R1.1 c1cscc1C=O A2Z00050189 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,0,0,0|1,0,1]=3 8 B6R1.2 C1CC(=O)OC1 A2Z00038638 [1,0,0,0,0,0|0,0,3]=4 9 B6R1.2 C1COC(=O)N1 A2Z00096076 [1,0,0,0,0,0|1,0,2]=4 10 B6R1.2 Cc1cscn1 A2Z00097343 [1,0,0,0,0,0|2,0,1]=4 11 B6R1.2 c1c([nH]cn1)N A2Z00050362 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 c1c[nH]nc1N A2Z00096057 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 c1cn[nH]c1N A2Z00050166 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 c1cnc([nH]1)Cl A2Z00096586 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.1 Cc1cnc(o1)CN A2Z00046154 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.1 Cc1cnc(o1)CO A2Z00096381 [0,1,0,0,0,0|1,0,2]=4 18 B8R1.1 Cn1cc(cn1)C=O A2Z00097396 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.1 c1cc(oc1C=O)I A2Z00064077 [0,1,0,0,0,0|0,0,0]=1 20 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [0,1,0,0,0,0|0,1,0]=2 21 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [0,1,0,0,0,0|1,1,0]=3 22 B8R1.7 CC(c1cccs1)O A2Z00094291 [0,1,0,0,0,0|0,1,2]=4 23 B8R1.7 c1c(ncs1)C(=O)N A2Z00050185 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.7 c1c(non1)C(=O)O A2Z00050422 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [0,1,0,0,0,0|0,0,0]=1 28 B8R1.7 c1cc(sc1)C(=S)N A2Z00038399 [0,1,0,0,0,0|0,2,0]=3 29 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.8 c1cc(sc1)CCBr A2Z00096130 [0,1,0,0,0,0|1,1,1]=4 31 B8R1.8 c1cc(sc1)CCO A2Z00095929 [0,1,0,0,0,0|0,1,2]=4 32 B8R1.8 c1cc(sc1)N=C=O A2Z00096018 [0,1,0,0,0,0|0,1,1]=3 33 B8R1.11 Cc1c(c[nH]n1)C=O A2Z00095923 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.11 Cc1c(cn[nH]1)C=O A2Z00050363 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.11 Cc1c(ocn1)C=O A2Z00096249 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.11 c1c(c(on1)C=O)Cl A2Z00050343 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.2 CCc1ccncc1 A2Z00096081 [0,0,0,0,0,1|2,0,1]=4 38 B8R1.2 COc1cnccn1 A2Z00085431 [0,0,0,0,0,1|3,0,0]=4 39 B8R1.2 CSc1ccccc1 A2Z00096090 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.2 c1cc(cnc1)CN A2Z00093433 [0,0,0,0,0,1|2,0,1]=4 41 B8R1.2 c1ccc(cc1)CN A2Z00095042 [0,0,0,0,0,1|2,0,1]=4 42 B8R1.2 c1ccnc(c1)NN A2Z00097841 [0,0,0,0,0,1|3,0,0]=4 43 B8R1.2 c1cnc(nc1)C#N A2Z00085536 [0,0,0,0,0,1|2,0,1]=4 44 B8R1.2 c1cnccc1C#N A2Z00085470 [0,0,0,0,0,1|2,0,1]=4 45 B5R0.3 COC(=O)C=C A2Z00093487 [1,0,1,0,0,0|0,0,1]=3 46 B5R1.1 C1COC=C1 A2Z00050496 [2,0,0,0,0,0|0,0,2]=4 47 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [1,1,0,0,0,0|1,0,1]=4 48 B7R1.2 Cc1cc(no1)N A2Z00085614 [1,1,0,0,0,0|1,0,1]=4 49 B7R1.2 Cc1cc(on1)N A2Z00095967 [1,1,0,0,0,0|2,0,0]=4 50 B7R1.2 Cc1cc(on1)[O-] A2Z00050433 [1,1,0,0,0,0|1,0,1]=4 51 B7R1.2 Cc1cc(sc1)Br A2Z00050301 [1,1,0,0,0,0|1,1,0]=4 52 B7R1.2 c1c([nH]c(=O)s1)O A2Z00096718 [1,1,0,0,0,0|1,1,0]=4 53 B7R1.2 c1cc(sc1Cl)Cl A2Z00097497 [1,1,0,0,0,0|1,1,0]=4 54 B9R1.1 Cc1ccc(cn1)C=O A2Z00096051 [0,1,0,0,0,1|1,0,0]=3 55 B9R1.1 c1cc(ccc1C=O)F A2Z00093477 [0,1,0,0,0,1|1,0,0]=3 56 B9R1.1 c1cc(ccc1C=O)O A2Z00093449 [0,1,0,0,0,1|1,0,0]=3 57 B9R1.2 c1cc(cc(c1)O)C=O A2Z00093516 [0,1,0,0,0,1|1,0,0]=3 58 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [0,1,0,0,0,1|1,0,0]=3 59 B9R1.6 c1cc(cnc1)C(=O)Cl A2Z00046508 [0,1,0,0,0,1|1,0,0]=3 60 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [0,1,0,0,0,1|2,0,0]=4 61 B9R1.6 c1cnc(cn1)C(=O)O A2Z00085941 [0,1,0,0,0,1|1,0,0]=3 62 B9R1.6 c1cnccc1C(=S)N A2Z00098301 [0,1,0,0,0,1|1,1,0]=4 63 B9R1.15 Cc1c(nccn1)C=O A2Z00050351 [0,1,0,0,0,1|1,0,0]=3 64 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [0,1,0,0,0,1|1,0,0]=3 65 B9R1.15 c1ccc(c(c1)C=O)O A2Z00038632 [0,1,0,0,0,1|1,0,0]=3 66 B9R1.23 Cc1c(nc([nH]1)C=O)C A2Z00050350 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.35 CC(=O)c1ccc(o1)Br A2Z00062313 [0,2,0,0,0,0|0,0,0]=2 68 B9R1.35 Cc1cc(n[nH]1)C(=O)O A2Z00046525 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.35 Cc1cc(ns1)C(=O)O A2Z00050333 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.35 Cc1cnc(o1)C(=O)O A2Z00050346 [0,2,0,0,0,0|1,0,0]=3 71 B9R1.35 Cc1ncc(s1)C(=O)O A2Z00073992 [0,2,0,0,0,0|1,1,0]=4 72 B9R1.35 c1c([nH][nH]c1=O)C(=O)O A2Z00050177 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.35 c1c([nH]nc1O)C(=O)O A2Z00050449 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.35 c1c(n[nH]c1O)C(=O)O A2Z00096273 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.35 c1c(nc(s1)Cl)C(=O)O A2Z00085550 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.35 c1c(nc(s1)N)C(=O)O A2Z00085471 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [0,2,0,0,0,0|0,0,0]=2 78 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [0,2,0,0,0,0|0,1,0]=3 79 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.11 c1cc(oc1)C(=O)NN A2Z00053062 [0,2,0,0,0,0|0,0,0]=2 82 B9R1.11 c1cc(sc1)C(=O)CCl A2Z00057069 [0,2,0,0,0,0|0,1,0]=3 83 B9R1.11 c1cc(sc1)C(=O)NN A2Z00051543 [0,2,0,0,0,0|0,1,0]=3 84 B9R1.19 c1cc(sc1)S(=O)(=O)Cl A2Z00040063 [0,2,0,0,0,0|1,1,0]=4 85 B9R1.41 CC(=O)c1c(ncs1)Br A2Z00050247 [0,2,0,0,0,0|1,1,0]=4 86 B9R1.41 Cc1c(ocn1)C(=O)O A2Z00049433 [0,2,0,0,0,0|1,0,0]=3 87 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [0,2,0,0,0,0|0,1,0]=3 88 B9R1.41 Cn1c(ccn1)C(=O)O A2Z00096177 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.41 c1csc(c1O)C(=O)N A2Z00061416 [0,2,0,0,0,0|0,1,0]=3 90 B9R1.12 c1cc([nH]c1)\C=C\C=O A2Z00094927 [0,2,0,0,0,0|1,0,0]=3 91 B9R1.12 c1cc(oc1)\C=C\C=O A2Z00094719 [0,2,0,0,0,0|0,0,0]=2 92 B9R1.12 c1cc(sc1)\C=C\C#N A2Z00094589 [0,2,0,0,0,0|1,1,0]=4 93 B9R1.13 c1c(ncs1)CC(=O)O A2Z00061633 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.13 c1c[nH]nc1CC(=O)O A2Z00050347 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [0,2,0,0,0,0|0,0,0]=2 96 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [0,2,0,0,0,0|0,1,0]=3 97 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [0,2,0,0,0,0|0,1,0]=3 98 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [0,2,0,0,0,0|0,1,0]=3 99 B9R1.13 c1cn[nH]c1CC(=O)O A2Z00096237 [0,2,0,0,0,0|2,0,0]=4 100 B7R1.3 c1cc(cnc1)O A2Z00096077 [0,0,1,1,0,0|1,0,0]=3 101 B7R1.3 c1ccc(cc1)O A2Z00038639 [0,0,1,1,0,0|1,0,0]=3