0 B9R1.35 CC(=O)c1ccc(s1)Br CUR-0103517 [0,0,0,0,0,0|1,1,0]=2 1 B9R1.35 CC(=O)c1ccc(s1)Cl CUR-0102625 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 Cc1[nH]cc(n1)C(=O)O CUR-0024930 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 Cc1cc(n[nH]1)C(=O)O CUR-0101256 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 Cc1cc(no1)C(=O)O CUR-0016233 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 Cc1cc(on1)C(=O)O CUR-0004080 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 Cc1cc(sc1)C(=O)O CUR-0102193 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 Cc1ccc(o1)C(=O)C CUR-0101867 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.35 Cc1ccc(s1)C(=O)O CUR-0102192 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 Cc1nc(cs1)C(=O)O CUR-0001372 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 Cc1ncc(s1)C(=O)O CUR-0015967 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 Cn1ccc(n1)C(=O)Cl CUR-0098254 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 c1c([nH][nH]c1=O)C(=O)O CUR-0099000 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O CUR-0027703 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 c1c(csc1C(=O)O)Br CUR-0103552 [0,0,0,0,0,0|2,1,0]=3 15 B9R1.35 c1c(csc1C(=O)O)O CUR-0019310 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 c1c(nc(o1)N)C(=O)O CUR-0006701 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 c1c(nc(s1)N)C(=O)N CUR-0098734 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 c1c(sc(n1)N)[N+](=O)[O-] CUR-0102247 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 c1cc(oc1C(=O)O)Br CUR-0011302 [0,0,0,0,0,0|0,2,0]=2 20 B9R1.35 c1cc(sc1C(=O)Cl)Br CUR-0096600 [0,0,0,0,0,0|1,1,0]=2 21 B9R1.35 c1cc(sc1C(=O)Cl)Cl CUR-0040008 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.35 c1cc(sc1C(=O)O)Cl CUR-0102670 [0,0,0,0,0,0|0,0,0]=0 23 B8R1.1 CCc1ccc(s1)C CUR-0101897 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.1 Cc1ccc(o1)C=O CUR-0005618 [1,0,0,0,0,0|1,1,0]=3 25 B8R1.1 Cc1ccc(s1)C=O CUR-0101894 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.1 Cn1ccc(n1)C=O CUR-0029180 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 c1c(csc1C=O)Br CUR-0103281 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.1 c1cc(oc1C=O)Br CUR-0102965 [1,0,0,0,0,0|0,2,0]=3 29 B8R1.1 c1cc(sc1C=O)Br CUR-0103280 [1,0,0,0,0,0|0,1,0]=2 30 B8R1.1 c1cc(sc1C=O)Cl CUR-0102289 [1,0,0,0,0,0|0,0,0]=1 31 B8R1.1 c1cc(sc1CCl)Cl CUR-0004445 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 B(c1ccco1)(O)O CUR-0101693 [1,0,0,0,0,0|1,1,1]=4 33 B8R1.7 B(c1cccs1)(O)O CUR-0101911 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.7 C1C=CCC1C(=O)O CUR-0017055 [1,0,0,0,0,0|1,0,2]=4 35 B8R1.7 CC(=O)c1ccc[nH]1 CUR-0101124 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 CC(=O)c1ccco1 CUR-0101070 [1,0,0,0,0,0|1,1,0]=3 37 B8R1.7 CC(=O)c1cccs1 CUR-0101065 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.7 CC(=O)c1ccsc1 CUR-0101893 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 CC(=O)c1nccs1 CUR-0101903 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.7 c1[nH]nc(n1)C(=O)O CUR-0101706 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 c1c(cn[nH]1)C(=O)O CUR-0018646 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 c1c(n[nH]n1)C(=O)O CUR-0100737 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 c1c(nc[nH]1)C(=O)O CUR-0120304 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 c1c(nco1)C(=O)O CUR-0013579 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 c1c(ncs1)C(=O)O CUR-0008354 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 c1c(nns1)C(=O)O CUR-0004828 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 c1c(nsn1)C(=O)O CUR-0099141 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 c1c(ocn1)C(=O)O CUR-0019436 [1,0,0,0,0,0|1,1,0]=3 49 B8R1.7 c1c(snn1)C(=O)O CUR-0015233 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.7 c1c[nH]nc1C(=O)N CUR-0029107 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 c1cc([nH]c1)C(=O)O CUR-0007828 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.7 c1cc(oc1)C(=N)N CUR-0101053 [1,0,0,0,0,0|2,1,0]=4 53 B8R1.7 c1cc(oc1)C(=O)Cl CUR-0101970 [1,0,0,0,0,0|1,1,0]=3 54 B8R1.7 c1cc(oc1)C(=O)O CUR-0018564 [1,0,0,0,0,0|0,1,0]=2 55 B8R1.7 c1cc(sc1)C(=N)N CUR-0101042 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 c1cc(sc1)C(=O)O CUR-0004913 [1,0,0,0,0,0|0,0,0]=1 57 B8R1.7 c1cn[nH]c1C(=O)O CUR-0013253 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 c1cnoc1C(=O)O CUR-0021415 [1,0,0,0,0,0|1,1,0]=3 59 B8R1.7 c1cocc1C(=O)Cl CUR-0031259 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 c1cocc1C(=O)O CUR-0017945 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 c1cscc1C(=O)N CUR-0074435 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.7 c1cscc1C(=O)O CUR-0002431 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.14 COC(=O)c1ccc(s1)N CUR-0020578 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.14 COC(=O)c1cnc(s1)N CUR-0102569 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.14 COC(=O)c1csc(n1)N CUR-0102571 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.14 c1cc(sc1C(=O)NN)Cl CUR-0074429 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.31 CCc1ccc(o1)C(=O)O CUR-0010824 [0,1,0,0,0,0|1,1,0]=3 68 B10R1.31 CNc1nc(cs1)C(=O)O CUR-0098923 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.31 CNc1ncc(s1)C(=O)O CUR-0006466 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.31 c1cc(sc1C=O)[N+](=O)[O-] CUR-0102555 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.55 Cc1ccc(s1)S(=O)(=O)Cl CUR-0099829 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.55 c1cc(sc1S(=O)(=O)Cl)Br CUR-0103964 [0,1,0,0,0,0|1,1,1]=4 73 B10R1.55 c1cc(sc1S(=O)(=O)Cl)Cl CUR-0103666 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.58 Cc1c(cc(o1)C(=O)O)Br CUR-0060278 [0,1,0,0,0,0|1,1,0]=3 75 B10R1.58 Cc1cc(nn1C)C(=O)O CUR-0102139 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.59 Cc1c(sc(n1)C)C(=O)O CUR-0102557 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.59 Cc1c(sc(n1)N)C(=O)C CUR-0090387 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.59 Cc1cc(c(o1)C)C(=O)O CUR-0023384 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.59 c1(c(sc(n1)Br)Br)C(=O)O CUR-0098829 [0,1,0,0,0,0|2,1,0]=4 80 B10R1.59 c1(c(sc(n1)Cl)Cl)C(=O)O CUR-0098830 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.59 c1(c(sc(n1)N)Cl)C(=O)O CUR-0120248 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)Cl CUR-0098186 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O CUR-0006781 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.194 CC(=O)c1csc(c1Cl)Cl CUR-0153402 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.194 Cc1c(scc1C(=O)O)C CUR-0087545 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.23 C=C(CC(=O)O)C(=O)O CUR-0014634 [0,0,1,0,0,0|3,0,0]=4 87 B10R1.13 CC(=O)c1ccc(cc1)Br CUR-0021132 [0,0,0,0,0,1|2,1,0]=4 88 B10R1.13 CC(=O)c1ccc(cc1)Cl CUR-0003490 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.13 CC(=O)c1ccc(cc1)F CUR-0101069 [0,0,0,0,0,1|2,1,0]=4 90 B10R1.13 CC(=O)c1ccc(cc1)I CUR-0103903 [0,0,0,0,0,1|2,1,0]=4 91 B10R1.13 CC(=O)c1ccc(cc1)N CUR-0019746 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.13 CC(=O)c1ccc(cc1)O CUR-0102066 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.13 Cc1ccc(cc1)C(=O)C CUR-0102036 [0,0,0,0,0,1|3,0,0]=4 94 B10R1.13 Cc1ccc(cc1)C(=O)Cl CUR-0102507 [0,0,0,0,0,1|3,0,0]=4 95 B10R1.13 Cc1ccc(cc1)C(=O)N CUR-0074413 [0,0,0,0,0,1|3,0,0]=4 96 B10R1.13 Cc1ccc(cc1)C(=O)O CUR-0027993 [0,0,0,0,0,1|2,0,0]=3 97 B10R1.13 Cc1ccc(cn1)C(=O)O CUR-0027045 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.13 Cc1cnc(cn1)C(=O)O CUR-0012913 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.13 c1c(cnc(n1)C(=O)O)Cl CUR-0097342 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.13 c1c(ncc(=O)[nH]1)C(=O)O CUR-0029012 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] CUR-0023947 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.13 c1cc(=O)[nH]nc1C(=O)O CUR-0000641 [0,0,0,0,0,1|2,0,0]=3 103 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CUR-0101019 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.13 c1cc(ccc1C(=O)Cl)F CUR-0031249 [0,0,0,0,0,1|2,1,0]=4 105 B10R1.13 c1cc(ccc1C(=O)N)F CUR-0027144 [0,0,0,0,0,1|2,1,0]=4 106 B10R1.13 c1cc(ccc1C(=O)N)N CUR-0102073 [0,0,0,0,0,1|3,0,0]=4 107 B10R1.13 c1cc(ccc1C(=O)O)Br CUR-0103454 [0,0,0,0,0,1|1,1,0]=3 108 B10R1.13 c1cc(ccc1C(=O)O)Cl CUR-0026281 [0,0,0,0,0,1|1,0,0]=2 109 B10R1.13 c1cc(ccc1C(=O)O)F CUR-0017879 [0,0,0,0,0,1|1,1,0]=3 110 B10R1.13 c1cc(ccc1C(=O)O)I CUR-0103911 [0,0,0,0,0,1|1,1,0]=3 111 B10R1.13 c1cc(ccc1C(=O)O)N CUR-0100805 [0,0,0,0,0,1|2,0,0]=3 112 B10R1.13 c1cc(ccc1C(=O)O)O CUR-0018863 [0,0,0,0,0,1|2,0,0]=3 113 B10R1.13 c1cc(ccc1C(=O)O)S CUR-0102495 [0,0,0,0,0,1|2,0,0]=3 114 B10R1.13 c1cc(ccc1C(=O)[O-])N CUR-0100802 [0,0,0,0,0,1|2,0,1]=4 115 B10R1.13 c1cc(ccc1C(=S)N)Cl CUR-0102889 [0,0,0,0,0,1|2,1,0]=4 116 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl CUR-0011704 [0,0,0,0,0,1|2,0,1]=4 117 B10R1.13 c1cc(ncc1Br)C(=O)O CUR-0096819 [0,0,0,0,0,1|1,1,0]=3 118 B10R1.13 c1cc(ncc1C(=N)N)Cl CUR-0101050 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.13 c1cc(ncc1C(=O)O)Br CUR-0103474 [0,0,0,0,0,1|1,1,0]=3 120 B10R1.13 c1cc(ncc1C(=O)O)Cl CUR-0028761 [0,0,0,0,0,1|1,0,0]=2 121 B10R1.13 c1cc(ncc1C(=O)O)N CUR-0021314 [0,0,0,0,0,1|2,0,0]=3 122 B10R1.13 c1cc(ncc1O)C(=O)O CUR-0097393 [0,0,0,0,0,1|2,0,0]=3 123 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl CUR-0012514 [0,0,0,0,0,1|2,0,1]=4 124 B10R1.54 Cc1nc(cs1)CC(=O)O CUR-0023806 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.54 Cc1ncc(s1)CC(=O)O CUR-0096202 [0,0,0,0,0,1|2,0,0]=3 126 B10R1.54 Cn1ccc(n1)CC(=O)O CUR-0153597 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.54 c1c(nc(s1)N)CC(=O)O CUR-0102570 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.54 c1cc(sc1CC(=O)O)Cl CUR-0083266 [0,0,0,0,0,1|0,0,0]=1 129 B10R1.113 B(c1cccc(c1)Cl)(O)O CUR-0100032 [0,0,0,0,0,1|2,0,1]=4 130 B10R1.113 CC(=O)c1cccc(c1)Br CUR-0103428 [0,0,0,0,0,1|2,1,0]=4 131 B10R1.113 CC(=O)c1cccc(c1)F CUR-0018015 [0,0,0,0,0,1|2,1,0]=4 132 B10R1.113 CC(=O)c1cccc(c1)N CUR-0010147 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.113 Cc1cccc(c1)C(=O)O CUR-0015235 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.113 Cc1nccc(n1)C(=O)O CUR-0009402 [0,0,0,0,0,1|2,0,0]=3 135 B10R1.113 c1c(cncc1Br)C(=O)O CUR-0002080 [0,0,0,0,0,1|1,1,0]=3 136 B10R1.113 c1c(cncc1Cl)C(=O)O CUR-0066629 [0,0,0,0,0,1|1,0,0]=2 137 B10R1.113 c1c(cncc1F)C(=O)O CUR-0102154 [0,0,0,0,0,1|1,1,0]=3 138 B10R1.113 c1c(cncc1N)C(=O)O CUR-0096743 [0,0,0,0,0,1|2,0,0]=3 139 B10R1.113 c1c[nH]c(=O)cc1C(=O)O CUR-0005948 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.113 c1cc([nH]c(=O)c1)C(=O)O CUR-0009965 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.113 c1cc(c[n+](c1)[O-])C(=O)O CUR-0102121 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.113 c1cc(cc(c1)Br)C(=O)O CUR-0103455 [0,0,0,0,0,1|1,1,0]=3 143 B10R1.113 c1cc(cc(c1)Cl)C(=N)N CUR-0101044 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl CUR-0031250 [0,0,0,0,0,1|2,0,0]=3 145 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CUR-0100781 [0,0,0,0,0,1|1,0,0]=2 146 B10R1.113 c1cc(cc(c1)F)C(=O)O CUR-0007255 [0,0,0,0,0,1|1,1,0]=3 147 B10R1.113 c1cc(cc(c1)I)C(=O)O CUR-0103912 [0,0,0,0,0,1|1,1,0]=3 148 B10R1.113 c1cc(cc(c1)N)C(=O)O CUR-0015990 [0,0,0,0,0,1|2,0,0]=3 149 B10R1.113 c1cc(cc(c1)N)C(=O)O CUR-0102937 [0,0,0,0,0,1|2,0,0]=3 150 B10R1.113 c1cc(cc(c1)O)C(=O)O CUR-0025257 [0,0,0,0,0,1|2,0,0]=3 151 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CUR-0026548 [0,0,0,0,0,1|1,0,0]=2 152 B10R1.113 c1cnc(cc1Br)C(=O)O CUR-0096748 [0,0,0,0,0,1|1,1,0]=3 153 B10R1.113 c1cnc(cc1C(=N)N)Cl CUR-0100932 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.113 c1cnc(cc1C(=O)O)Br CUR-0096756 [0,0,0,0,0,1|1,1,0]=3 155 B10R1.113 c1cnc(cc1C(=O)O)Cl CUR-0028687 [0,0,0,0,0,1|1,0,0]=2 156 B10R1.113 c1cnc(cc1Cl)C(=O)O CUR-0023063 [0,0,0,0,0,1|1,0,0]=2 157 B10R1.113 c1cnc(cc1I)C(=O)O CUR-0096747 [0,0,0,0,0,1|1,1,0]=3 158 B10R1.113 c1cnc(cc1O)C(=O)O CUR-0074136 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl CUR-0100795 [0,0,0,0,0,1|2,0,1]=4 160 B7R0.4 C\C=C\C=C/C(=O)O CUR-0101700 [1,0,1,0,0,0|1,0,0]=3 161 B7R0.4 C\C=C\C=C\C(=O)O CUR-0100842 [1,0,1,0,0,0|1,0,0]=3 162 B7R1.1 CCc1cccs1 CUR-0101705 [2,0,0,0,0,0|1,0,1]=4 163 B7R1.1 c1c(nc[nH]1)C=O CUR-0101560 [2,0,0,0,0,0|2,0,0]=4 164 B7R1.1 c1cc([nH]c1)C=O CUR-0101556 [2,0,0,0,0,0|1,0,0]=3 165 B7R1.1 c1cc(oc1)C=O CUR-0027369 [2,0,0,0,0,0|0,1,0]=3 166 B7R1.1 c1cc(oc1)CO CUR-0018391 [2,0,0,0,0,0|0,1,1]=4 167 B7R1.1 c1cc(sc1)C#N CUR-0101678 [2,0,0,0,0,0|1,0,1]=4 168 B7R1.1 c1cc(sc1)C=O CUR-0025426 [2,0,0,0,0,0|0,0,0]=2 169 B7R1.1 c1cc(sc1)CN CUR-0000390 [2,0,0,0,0,0|1,0,1]=4 170 B7R1.1 c1cc(sc1)CO CUR-0023830 [2,0,0,0,0,0|0,0,1]=3 171 B7R1.1 c1cnc([nH]1)C=O CUR-0002735 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.1 c1cocc1C=O CUR-0101559 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.1 c1cscc1C=O CUR-0026809 [2,0,0,0,0,0|2,0,0]=4 174 B7R1.2 C1=CC(=O)NC1=O CUR-0011255 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [2,0,0,0,0,0|1,1,0]=4 176 B7R1.2 Cc1ccc(s1)C CUR-0012643 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.21 c1cc(oc1CO)C=O CUR-0101881 [1,1,0,0,0,0|1,1,0]=4 178 B9R1.22 C(=O)c1c(nc(s1)Cl)Cl CUR-0012054 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.11 COC(=O)c1c[nH]cn1 CUR-0008809 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.11 c1cc(oc1)C(=O)CCl CUR-0055851 [1,1,0,0,0,0|1,1,0]=4 181 B9R1.11 c1cc(oc1)C(=O)NN CUR-0101020 [1,1,0,0,0,0|1,1,0]=4 182 B9R1.11 c1cc(sc1)C(=O)NN CUR-0101092 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.11 c1cc(sc1)\C(=N\O)\N CUR-0099565 [1,1,0,0,0,0|1,0,0]=3 184 B9R1.19 c1cc(sc1)S(=O)(=O)Cl CUR-0015500 [1,1,0,0,0,0|1,0,1]=4 185 B9R1.41 Cc1c([nH]cn1)C(=O)O CUR-0121727 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.41 Cc1c(nco1)C(=O)O CUR-0013719 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.41 Cc1c(scn1)C(=O)O CUR-0020343 [1,1,0,0,0,0|1,0,0]=3 188 B9R1.41 Cc1c(snn1)C(=O)O CUR-0016330 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.41 Cc1cc[nH]c1C(=O)O CUR-0091141 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.41 Cc1ccoc1C(=O)O CUR-0004502 [1,1,0,0,0,0|0,1,0]=3 191 B9R1.41 Cc1cscc1C(=O)O CUR-0027759 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.41 Cn1cccc1C(=O)O CUR-0004269 [1,1,0,0,0,0|1,0,0]=3 193 B9R1.41 c1csc(c1Br)[N+](=O)[O-] CUR-0094296 [1,1,0,0,0,0|1,0,1]=4 194 B9R1.41 c1csc(c1F)C(=O)O CUR-0014406 [1,1,0,0,0,0|0,0,0]=2 195 B11R1.3 COc1ccc(cc1)C(=O)O CUR-0006365 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.3 COc1ccc(cn1)C(=O)O CUR-0102458 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.3 COc1ccc(nc1)C(=O)O CUR-0015881 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.3 COc1ccc(nn1)C(=O)O CUR-0084158 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.3 CSc1ccc(cc1)C(=O)O CUR-0102825 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.3 c1cc(ccc1C#N)C(=O)O CUR-0100759 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.3 c1cc(ccc1C(=O)O)NN CUR-0087478 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.3 c1cc(ccc1C=O)C(=O)O CUR-0102349 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.3 c1cc(ccc1CN)C(=O)O CUR-0000478 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl CUR-0103315 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl CUR-0103237 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.21 Cc1cc(cnc1O)C(=O)O CUR-0122261 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.21 Cc1ccc(cc1C)C(=O)O CUR-0101094 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.21 Cc1ccc(cc1F)C(=O)O CUR-0102484 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.21 Cc1ccc(cc1N)C(=O)O CUR-0102399 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O CUR-0097368 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.21 Cn1cc(ccc1=O)C(=O)O CUR-0100799 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.21 c1c(c[nH]c(=O)c1Br)C(=O)O CUR-0118495 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.21 c1c(c[nH]c(=O)c1O)C(=O)O CUR-0133091 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O CUR-0022761 [0,1,0,0,0,1|1,0,0]=3 215 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O CUR-0102935 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.21 c1c(cnc(c1O)Br)C(=O)O CUR-0096884 [0,1,0,0,0,1|1,1,0]=4 217 B11R1.21 c1c(cnc(c1O)I)C(=O)O CUR-0096871 [0,1,0,0,0,1|1,1,0]=4 218 B11R1.21 c1c(cnc(c1O)N)C(=O)O CUR-0096885 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CUR-0013670 [0,1,0,0,0,1|1,0,0]=3 220 B11R1.21 c1cc(c(cc1C(=O)O)F)F CUR-0014526 [0,1,0,0,0,1|1,1,0]=4 221 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl CUR-0102886 [0,1,0,0,0,1|1,0,0]=3 222 B11R1.21 c1cc(c(cc1C(=O)O)N)N CUR-0102431 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.21 c1cc(c(cc1C(=O)O)N)N CUR-0103230 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.22 CCC(=O)c1ccc(cc1)Cl CUR-0102828 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.22 COC(=O)c1ccc(=O)[nH]n1 CUR-0098363 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.22 COC(=O)c1ccc(cc1)Cl CUR-0012989 [0,1,0,0,0,1|1,0,0]=3 227 B11R1.22 COC(=O)c1ccc(cc1)N CUR-0024682 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.22 COC(=O)c1ccc(cc1)O CUR-0102420 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.22 COC(=O)c1ccc(nc1)Br CUR-0052587 [0,1,0,0,0,1|1,1,0]=4 230 B11R1.22 COC(=O)c1ccc(nn1)O CUR-0123349 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.22 COC(=O)c1cnc(cn1)Cl CUR-0023255 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.22 Cc1ccc(cc1)C(=O)OC CUR-0027548 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CUR-0020469 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.22 c1cc(ccc1C(=O)CN)Cl CUR-0021793 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.22 c1cc(ccc1C(=O)NN)Cl CUR-0012709 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.22 c1cc(ccc1\C(=N\O)\N)Cl CUR-0107657 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.166 Cc1ccc(c(=O)[nH]1)C(=O)O CUR-0023118 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CUR-0102364 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.166 c1cc(c(cc1Br)N)C(=O)O CUR-0099981 [0,1,0,0,0,1|1,1,0]=4 240 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl CUR-0101026 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CUR-0103278 [0,1,0,0,0,1|1,0,0]=3 242 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O CUR-0102881 [0,1,0,0,0,1|1,0,0]=3 243 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O CUR-0102961 [0,1,0,0,0,1|1,1,0]=4 244 B11R1.166 c1cc(c(cc1F)F)C(=O)O CUR-0100963 [0,1,0,0,0,1|1,1,0]=4 245 B11R1.166 c1cc(c(cc1N)O)C(=O)O CUR-0021932 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.166 c1cc(c(cc1O)O)C(=O)O CUR-0102479 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.166 c1cc(nc(c1C(=O)O)N)O CUR-0155202 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.645 C(=C/1\C(=O)NC(=O)S1)/C(=O)O CUR-0009550 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.645 Cc1c(sc(n1)C)CC(=O)O CUR-0099702 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.23 CNC(=O)c1cccc(n1)Cl CUR-0016165 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.23 COC(=O)c1cc(ccn1)Cl CUR-0102887 [0,1,0,0,0,1|1,0,0]=3 252 B11R1.23 COC(=O)c1cccc(c1)N CUR-0100451 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.23 COC(=O)c1cccc(c1)O CUR-0022488 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.23 COC(=O)c1ccnc(c1)Cl CUR-0102885 [0,1,0,0,0,1|1,0,0]=3 255 B11R1.23 Cc1cccc(n1)C(=O)OC CUR-0100349 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr CUR-0025784 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN CUR-0019833 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO CUR-0027853 [0,1,0,0,0,1|1,0,0]=3 259 B11R1.23 c1cc(cc(c1)Cl)\C(=N\O)\N CUR-0097981 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CUR-0102368 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.74 Cc1cc(cc(n1)C)C(=O)O CUR-0096192 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O CUR-0002192 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O CUR-0022666 [0,1,0,0,0,1|1,0,0]=3 264 B11R1.74 c1c(cc(cc1O)O)C(=O)O CUR-0015548 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O CUR-0000173 [0,1,0,0,0,1|1,0,0]=3 266 B11R1.74 c1c(cc(nc1N)Cl)C(=O)O CUR-0101363 [0,1,0,0,0,1|1,0,0]=3 267 B11R1.74 c1c(cc(nc1O)O)C(=O)O CUR-0004170 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.159 Cc1c(cncc1Br)C(=O)O CUR-0096828 [0,1,0,0,0,1|1,1,0]=4 269 B11R1.159 Cc1c(cncc1Cl)C(=O)O CUR-0096827 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.159 Cc1c(cncc1N)C(=O)O CUR-0096829 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O CUR-0002149 [0,1,0,0,0,1|1,0,0]=3 272 B11R1.167 Cc1ccc(c(c1)C(=O)O)N CUR-0102395 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.167 Cc1ccc(c(c1)C(=O)O)O CUR-0011392 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O CUR-0103316 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl CUR-0103834 [0,1,0,0,0,1|1,1,0]=4 276 B11R1.167 c1cc(c(cc1Br)C(=O)O)N CUR-0097180 [0,1,0,0,0,1|1,1,0]=4 277 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl CUR-0103279 [0,1,0,0,0,1|1,0,0]=3 278 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N CUR-0102883 [0,1,0,0,0,1|1,0,0]=3 279 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O CUR-0102897 [0,1,0,0,0,1|1,0,0]=3 280 B11R1.167 c1cc(c(cc1I)C(=O)O)N CUR-0103972 [0,1,0,0,0,1|1,1,0]=4 281 B11R1.167 c1cc(c(cc1N)C(=O)O)O CUR-0018613 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.266 CNc1cc(cnc1)C(=O)O CUR-0096751 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.266 CNc1ccnc(c1)C(=O)O CUR-0031485 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.266 COc1cc(ccn1)C(=O)O CUR-0009205 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.266 COc1cccc(c1)C(=O)O CUR-0021267 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.266 COc1ccnc(c1)C(=O)O CUR-0096749 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.266 CSc1cccc(c1)C(=O)O CUR-0075606 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.266 c1cc(cc(c1)C(=O)O)C#N CUR-0102296 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.266 c1cnc(cc1C(=O)O)C#N CUR-0095302 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.15 CCOC(=O)c1cnc(s1)N CUR-0012967 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.44 CNc1ncc(s1)C(=O)OC CUR-0026071 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.44 COC(=O)c1cc(oc1)CCl CUR-0000327 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.44 COC(=O)c1ccc(o1)CCl CUR-0097582 [0,2,0,0,0,0|0,1,0]=3 294 B11R1.225 COC(=O)c1c(cc(s1)I)N CUR-0099562 [0,2,0,0,0,0|0,1,0]=3 295 B11R1.225 Cc1cc(c(s1)C(=O)OC)O CUR-0023970 [0,2,0,0,0,0|1,0,0]=3 296 B11R1.175 CC(=O)c1ccc(s1)C(=O)O CUR-0102851 [0,2,0,0,0,0|1,0,0]=3 297 B11R1.175 c1cc(oc1C(=O)O)[N+](=O)[O-] CUR-0022470 [0,2,0,0,0,0|1,1,0]=4 298 B11R1.175 c1cc(sc1C(=O)O)[N+](=O)[O-] CUR-0102914 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.6 c1cc(cnc1)C(=O)O CUR-0021553 [0,0,1,1,0,0|2,0,0]=4 300 B9R1.6 c1ccc(cc1)C(=O)O CUR-0005654 [0,0,1,1,0,0|2,0,0]=4 301 B9R1.6 c1ccnc(c1)C(=O)O CUR-0005772 [0,0,1,1,0,0|2,0,0]=4 302 B9R1.6 c1ccnc(c1)C(=O)O CUR-0102605 [0,0,1,1,0,0|2,0,0]=4 303 B9R1.69 c1cc(c(cc1Cl)N)S CUR-0011544 [0,0,1,1,0,0|2,0,0]=4 304 B9R1.69 c1cc(c(cc1Cl)O)Cl CUR-0102673 [0,0,1,1,0,0|2,0,0]=4 305 B9R1.2 Cc1cccc(c1)C=O CUR-0023642 [1,0,0,0,0,1|2,0,0]=4 306 B9R1.2 Cc1cccc(n1)C=O CUR-0101809 [1,0,0,0,0,1|2,0,0]=4 307 B9R1.2 c1cc(cc(c1)Br)C=O CUR-0001107 [1,0,0,0,0,1|1,1,0]=4 308 B9R1.2 c1cc(cc(c1)Cl)C=O CUR-0022345 [1,0,0,0,0,1|1,0,0]=3 309 B9R1.2 c1cc(cc(c1)F)C=O CUR-0022907 [1,0,0,0,0,1|1,1,0]=4 310 B9R1.2 c1cc(cc(c1)O)C=O CUR-0101822 [1,0,0,0,0,1|2,0,0]=4 311 B9R1.13 CC(=O)Cc1ccco1 CUR-0101861 [1,0,0,0,0,1|1,1,0]=4 312 B9R1.13 CC(=O)Nc1cccs1 CUR-0098267 [1,0,0,0,0,1|1,0,0]=3 313 B9R1.13 c1cc(sc1)CC(=O)Cl CUR-0031290 [1,0,0,0,0,1|1,0,0]=3 314 B9R1.13 c1cc(sc1)CC(=O)O CUR-0013133 [1,0,0,0,0,1|0,0,0]=2 315 B9R1.13 c1ccn(c1)CC(=O)O CUR-0001669 [1,0,0,0,0,1|2,0,0]=4 316 B9R1.13 c1cnn(c1)CC(=O)O CUR-0021146 [1,0,0,0,0,1|2,0,0]=4 317 B9R1.13 c1cnn(c1)CC(=O)O CUR-0101292 [1,0,0,0,0,1|2,0,0]=4 318 B9R1.13 c1cscc1CC(=O)O CUR-0102191 [1,0,0,0,0,1|2,0,0]=4 319 B11R1.20 CC(=O)Nc1ccc(nc1)Cl CUR-0079248 [0,0,0,0,0,2|2,0,0]=4 320 B11R1.20 Cc1ccc(cc1)CC(=O)O CUR-0102360 [0,0,0,0,0,2|2,0,0]=4 321 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl CUR-0103238 [0,0,0,0,0,2|2,0,0]=4 322 B11R1.20 c1cc(ccc1CC(=O)O)Br CUR-0103647 [0,0,0,0,0,2|1,1,0]=4 323 B11R1.20 c1cc(ccc1CC(=O)O)Cl CUR-0102870 [0,0,0,0,0,2|1,0,0]=3 324 B11R1.20 c1cc(ccc1CC(=O)O)F CUR-0102483 [0,0,0,0,0,2|1,1,0]=4 325 B11R1.157 Cc1cccc(c1)CC(=O)O CUR-0102361 [0,0,0,0,0,2|2,0,0]=4