0 B7R1.1 C#Cc1nccs1 CUR-0144303 [0,0,0,0,0,0|1,1,2]=4 1 B7R1.1 CCC1=NCCO1 CUR-0101578 [0,0,0,0,0,0|1,0,2]=3 2 B7R1.1 CCc1[nH]ccn1 CUR-0101562 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 CCc1cccs1 CUR-0101705 [0,0,0,0,0,0|0,1,0]=1 4 B7R1.1 c1[nH]c(nn1)CN CUR-0122284 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 c1c([nH]cn1)CCl CUR-0120555 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 c1c(cn[nH]1)CN CUR-0019813 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.1 c1c(con1)CN CUR-0100648 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.1 c1c(nc[nH]1)C=O CUR-0101560 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 c1c(nco1)CCl CUR-0008214 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 c1c(ocn1)CN CUR-0161748 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.1 c1cc([nH]c1)C=O CUR-0101556 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.1 c1cc(oc1)C#N CUR-0101548 [0,0,0,0,0,0|1,0,1]=2 13 B7R1.1 c1cc(oc1)C=O CUR-0027369 [0,0,0,0,0,0|1,0,1]=2 14 B7R1.1 c1cc(oc1)CN CUR-0006239 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.1 c1cc(oc1)CO CUR-0018391 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.1 c1cc(oc1)CS CUR-0101724 [0,0,0,0,0,0|1,0,0]=1 17 B7R1.1 c1cc(sc1)C#N CUR-0101678 [0,0,0,0,0,0|1,1,1]=3 18 B7R1.1 c1cc(sc1)C=O CUR-0025426 [0,0,0,0,0,0|1,1,1]=3 19 B7R1.1 c1cc(sc1)CN CUR-0000390 [0,0,0,0,0,0|1,1,0]=2 20 B7R1.1 c1cc(sc1)CO CUR-0023830 [0,0,0,0,0,0|1,1,0]=2 21 B7R1.1 c1cn[nH]c1CN CUR-0011116 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.1 c1cnc([nH]1)C=O CUR-0002735 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.1 c1cnoc1CN CUR-0084598 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.1 c1cocc1C=O CUR-0101559 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 c1conc1CCl CUR-0006498 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 c1csc(n1)CCl CUR-0101254 [0,0,0,0,0,0|2,1,0]=3 27 B7R1.1 c1cscc1C#N CUR-0101677 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 c1cscc1C=O CUR-0026809 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.1 c1cscc1CO CUR-0029172 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 c1nc(no1)CCl CUR-0029212 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.1 c1nc(no1)CN CUR-0014552 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.1 c1nc(on1)CBr CUR-0059734 [0,0,0,0,0,0|3,0,0]=3 33 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [1,0,0,0,0,0|2,0,1]=4 34 B6R1.2 Cc1[nH]ccn1 CUR-0003878 [1,0,0,0,0,0|2,0,0]=3 35 B6R1.2 Cc1cc[nH]n1 CUR-0101477 [1,0,0,0,0,0|2,0,0]=3 36 B6R1.2 Cc1ccco1 CUR-0026171 [1,0,0,0,0,0|0,0,0]=1 37 B6R1.2 Cc1cccs1 CUR-0101571 [1,0,0,0,0,0|0,1,0]=2 38 B6R1.2 Cc1ccno1 CUR-0100786 [1,0,0,0,0,0|1,0,0]=2 39 B6R1.2 Cc1ccsc1 CUR-0006917 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.2 Cc1cscn1 CUR-0101579 [1,0,0,0,0,0|2,0,0]=3 41 B6R1.2 Cn1cccc1 CUR-0101475 [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 Cn1cccn1 CUR-0023331 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 Cn1ccnc1 CUR-0022901 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 c1c[nH]nc1N CUR-0101482 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 c1cc(sc1)Br CUR-0102679 [1,0,0,0,0,0|1,1,0]=3 46 B6R1.2 c1cc(sc1)Cl CUR-0013952 [1,0,0,0,0,0|1,1,0]=3 47 B6R1.2 c1cc(sc1)I CUR-0103583 [1,0,0,0,0,0|1,1,0]=3 48 B6R1.2 c1cnc([nH]1)S CUR-0010371 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 c1coc(=S)[nH]1 CUR-0096935 [1,0,0,0,0,0|2,0,0]=3 50 B6R1.2 c1coc(n1)N CUR-0003564 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 c1cocc1Br CUR-0102292 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 c1conc1N CUR-0101483 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 c1csc(n1)Br CUR-0013712 [1,0,0,0,0,0|2,1,0]=4 54 B6R1.2 c1csc(n1)N CUR-0023749 [1,0,0,0,0,0|2,1,0]=4 55 B6R1.2 c1cscc1Br CUR-0102678 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 c1cscc1F CUR-0098914 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 c1cscc1N CUR-0103243 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 c1nnc(o1)N CUR-0009126 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.1 CCc1ccc(s1)C CUR-0101897 [0,1,0,0,0,0|0,1,0]=2 60 B8R1.1 CCc1nnc(o1)N CUR-0099277 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.1 COC1=CC(=O)NC1 CUR-0099929 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 Cc1cc(n[nH]1)CCl CUR-0100596 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.1 Cc1cc(n[nH]1)CO CUR-0029223 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 Cc1cc(no1)CCl CUR-0101986 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.1 Cc1cc(no1)CN CUR-0100814 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.1 Cc1cc(on1)CBr CUR-0046550 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.1 Cc1ccc(o1)C=O CUR-0005618 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.1 Cc1ccc(s1)C=O CUR-0101894 [0,1,0,0,0,0|1,1,1]=4 69 B8R1.1 Cc1csc(n1)CN CUR-0013862 [0,1,0,0,0,0|2,1,0]=4 70 B8R1.1 Cc1nc(cs1)CBr CUR-0153526 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.1 Cc1nc(cs1)CCl CUR-0015710 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.1 Cc1nc(cs1)CCl CUR-0102304 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.1 Cc1nc(on1)CCl CUR-0026719 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.1 Cc1nc(on1)CN CUR-0029005 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 Cc1nc(on1)CN CUR-0082645 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.1 Cc1nnc(o1)CCl CUR-0025144 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.1 Cc1nnc(o1)CN CUR-0083371 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.1 Cn1cc(nc1)CO CUR-0073128 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.1 c1c(csc1C=O)Br CUR-0103281 [0,1,0,0,0,0|1,1,1]=4 80 B8R1.1 c1c(nc(s1)N)CO CUR-0100722 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.1 c1cc(oc1C#N)Br CUR-0011234 [0,1,0,0,0,0|1,0,1]=3 82 B8R1.1 c1cc(oc1C#N)I CUR-0134322 [0,1,0,0,0,0|1,0,1]=3 83 B8R1.1 c1cc(oc1C=O)Br CUR-0102965 [0,1,0,0,0,0|1,0,1]=3 84 B8R1.1 c1cc(sc1C=O)Br CUR-0103280 [0,1,0,0,0,0|1,1,1]=4 85 B8R1.1 c1cc(sc1C=O)Cl CUR-0102289 [0,1,0,0,0,0|1,1,1]=4 86 B8R1.1 c1cc(sc1CCl)Cl CUR-0004445 [0,1,0,0,0,0|1,1,0]=3 87 B8R1.7 B(c1ccco1)(O)O CUR-0101693 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.7 B(c1cccs1)(O)O CUR-0101911 [0,1,0,0,0,0|2,1,0]=4 89 B8R1.7 CC(=O)c1ccc[nH]1 CUR-0101124 [0,1,0,0,0,0|1,0,1]=3 90 B8R1.7 CC(=O)c1ccco1 CUR-0101070 [0,1,0,0,0,0|0,0,1]=2 91 B8R1.7 CC(=O)c1cccs1 CUR-0101065 [0,1,0,0,0,0|0,1,1]=3 92 B8R1.7 CC(=O)c1ccsc1 CUR-0101893 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.7 CC(=O)c1nccs1 CUR-0101903 [0,1,0,0,0,0|1,1,1]=4 94 B8R1.7 CC(C)c1[nH]ccn1 CUR-0101685 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.7 CC(c1ncon1)N CUR-0022606 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.7 C[C@@H](c1cnco1)N CUR-0153543 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.7 c1c(ocn1)C(=O)O CUR-0019436 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.7 c1cc([nH]c1)C(=O)O CUR-0007828 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.7 c1cc(oc1)C(=N)N CUR-0101053 [0,1,0,0,0,0|1,0,1]=3 100 B8R1.7 c1cc(oc1)C(=O)Cl CUR-0101970 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.7 c1cc(oc1)C(=O)O CUR-0018564 [0,1,0,0,0,0|1,0,1]=3 102 B8R1.7 c1cc(sc1)C(=N)N CUR-0101042 [0,1,0,0,0,0|1,1,1]=4 103 B8R1.7 c1cc(sc1)C(=O)O CUR-0004913 [0,1,0,0,0,0|1,1,1]=4 104 B8R1.7 c1cnoc1C(=O)O CUR-0021415 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.8 CNCc1c[nH]nn1 CUR-0153391 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.8 CNCc1ccco1 CUR-0097176 [0,1,0,0,0,0|0,0,0]=1 107 B8R1.8 c1c(nc[nH]1)CCN CUR-0001249 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.8 c1c(nc[nH]1)CCN CUR-0103145 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.8 c1c(ncs1)CCN CUR-0027383 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.8 c1cc(sc1)CC#N CUR-0101414 [0,1,0,0,0,0|0,1,1]=3 111 B8R1.8 c1cc(sc1)CCCl CUR-0025864 [0,1,0,0,0,0|0,1,0]=2 112 B8R1.8 c1cc(sc1)CCN CUR-0024737 [0,1,0,0,0,0|0,1,0]=2 113 B8R1.8 c1cc(sc1)CCO CUR-0101927 [0,1,0,0,0,0|0,1,0]=2 114 B8R1.8 c1cc(sc1)N=C=O CUR-0030121 [0,1,0,0,0,0|1,1,1]=4 115 B8R1.8 c1ccn(c1)CCN CUR-0098345 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.8 c1ccn(c1)CCO CUR-0065799 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.8 c1cn(cn1)CCN CUR-0099311 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.8 c1cnc([nH]1)CCO CUR-0046668 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.8 c1cnn(c1)CCBr CUR-0091737 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.8 c1cnn(c1)CCCl CUR-0002430 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.8 c1cocc1CCN CUR-0000916 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.8 c1conc1CCN CUR-0087053 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.8 c1csc(n1)CCN CUR-0098678 [0,1,0,0,0,0|1,1,0]=3 124 B8R1.8 c1csc(n1)CCO CUR-0094997 [0,1,0,0,0,0|1,1,0]=3 125 B8R1.8 c1cscc1CCN CUR-0014064 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.8 c1nc(no1)CCN CUR-0017896 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.8 c1nc(no1)CCN CUR-0087626 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.8 c1nc(on1)CCN CUR-0023178 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.8 c1ncn(n1)CCBr CUR-0019206 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.8 c1ncn(n1)CCN CUR-0100677 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.8 c1ncn(n1)CCN CUR-0103319 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.11 CNc1nccn1C CUR-0083787 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.11 Cc1c([nH]cn1)CO CUR-0121777 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.11 Cc1c(nco1)CCl CUR-0023322 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.11 Cc1ccsc1C=O CUR-0101892 [0,1,0,0,0,0|1,1,1]=4 136 B8R1.11 Cn1c(ccn1)CN CUR-0029110 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.11 Cn1cccc1C=O CUR-0101671 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.11 Cn1ccnc1CCl CUR-0000771 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.11 Cn1ccnc1CN CUR-0003271 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.11 Cn1ccnc1CN CUR-0101295 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.11 Cn1ccnc1CO CUR-0025223 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.11 Cn1ccnc1CO CUR-0101247 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.11 Cn1cncc1CN CUR-0101303 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.11 Cn1cncc1CO CUR-0101138 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.1 CCC(=O)OCC CUR-0101621 [0,0,1,0,0,0|1,0,2]=4 146 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [0,0,1,0,0,0|1,0,2]=4 147 B6R0.6 CCCCOC=C CUR-0002040 [0,0,1,0,0,0|2,0,1]=4 148 B6R0.6 CCO\C=C\C#N CUR-0101565 [0,0,1,0,0,0|2,0,1]=4 149 B6R0.6 CC\C=C\CCO CUR-0007913 [0,0,1,0,0,0|0,0,2]=3 150 B6R0.9 COC(C=C)OC CUR-0011769 [0,0,1,0,0,0|1,0,2]=4 151 B8R1.2 C#Cc1ccccc1 CUR-0028923 [0,0,0,0,0,1|1,0,2]=4 152 B8R1.2 C=Cc1ccccc1 CUR-0016228 [0,0,0,0,0,1|1,0,2]=4 153 B8R1.2 C=Cc1ccccn1 CUR-0101649 [0,0,0,0,0,1|1,0,2]=4 154 B8R1.2 C=Cc1ccncc1 CUR-0007620 [0,0,0,0,0,1|1,0,2]=4 155 B8R1.2 CCc1ccccc1 CUR-0101653 [0,0,0,0,0,1|1,0,0]=2 156 B8R1.2 CNc1ccccc1 CUR-0101656 [0,0,0,0,0,1|2,0,0]=3 157 B8R1.2 COC1CCC=CO1 CUR-0002189 [0,0,0,0,0,1|1,0,2]=4 158 B8R1.2 COc1ccccc1 CUR-0026843 [0,0,0,0,0,1|2,0,0]=3 159 B8R1.2 COc1ccncc1 CUR-0101402 [0,0,0,0,0,1|2,0,0]=3 160 B8R1.2 CSc1ccccc1 CUR-0101870 [0,0,0,0,0,1|2,0,0]=3 161 B8R1.2 c1c(cncn1)CO CUR-0046551 [0,0,0,0,0,1|3,0,0]=4 162 B8R1.2 c1cc(cnc1)C#N CUR-0019652 [0,0,0,0,0,1|2,0,1]=4 163 B8R1.2 c1cc(cnc1)C=O CUR-0007220 [0,0,0,0,0,1|2,0,1]=4 164 B8R1.2 c1cc(cnc1)CCl CUR-0002750 [0,0,0,0,0,1|2,0,0]=3 165 B8R1.2 c1cc(cnc1)CN CUR-0027066 [0,0,0,0,0,1|2,0,0]=3 166 B8R1.2 c1cc(cnc1)CO CUR-0101674 [0,0,0,0,0,1|2,0,0]=3 167 B8R1.2 c1ccc(cc1)C#N CUR-0014272 [0,0,0,0,0,1|2,0,1]=4 168 B8R1.2 c1ccc(cc1)C=O CUR-0027632 [0,0,0,0,0,1|2,0,1]=4 169 B8R1.2 c1ccc(cc1)CBr CUR-0024935 [0,0,0,0,0,1|2,0,0]=3 170 B8R1.2 c1ccc(cc1)CCl CUR-0014141 [0,0,0,0,0,1|2,0,0]=3 171 B8R1.2 c1ccc(cc1)CN CUR-0009810 [0,0,0,0,0,1|2,0,0]=3 172 B8R1.2 c1ccc(cc1)CN CUR-0101294 [0,0,0,0,0,1|2,0,0]=3 173 B8R1.2 c1ccc(cc1)CO CUR-0002024 [0,0,0,0,0,1|2,0,0]=3 174 B8R1.2 c1ccc(cc1)CS CUR-0005953 [0,0,0,0,0,1|2,0,0]=3 175 B8R1.2 c1ccc(cc1)NN CUR-0008900 [0,0,0,0,0,1|3,0,0]=4 176 B8R1.2 c1ccc(cc1)NN CUR-0101278 [0,0,0,0,0,1|3,0,0]=4 177 B8R1.2 c1ccnc(c1)C#N CUR-0017142 [0,0,0,0,0,1|2,0,1]=4 178 B8R1.2 c1ccnc(c1)C=O CUR-0011586 [0,0,0,0,0,1|2,0,1]=4 179 B8R1.2 c1ccnc(c1)CCl CUR-0006464 [0,0,0,0,0,1|2,0,0]=3 180 B8R1.2 c1ccnc(c1)CN CUR-0101659 [0,0,0,0,0,1|2,0,0]=3 181 B8R1.2 c1ccnc(c1)CO CUR-0101669 [0,0,0,0,0,1|2,0,0]=3 182 B8R1.2 c1ccnc(c1)NN CUR-0101675 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.2 c1cnc(cn1)C#N CUR-0014188 [0,0,0,0,0,1|2,0,1]=4 184 B8R1.2 c1cnc(nc1)C#N CUR-0004515 [0,0,0,0,0,1|2,0,1]=4 185 B8R1.2 c1cnccc1C#N CUR-0026031 [0,0,0,0,0,1|2,0,1]=4 186 B8R1.2 c1cnccc1C=O CUR-0023499 [0,0,0,0,0,1|2,0,1]=4 187 B8R1.2 c1cnccc1CCl CUR-0005638 [0,0,0,0,0,1|2,0,0]=3 188 B8R1.2 c1cnccc1CN CUR-0101658 [0,0,0,0,0,1|2,0,0]=3 189 B8R1.2 c1cnccc1CO CUR-0101670 [0,0,0,0,0,1|2,0,0]=3 190 B8R1.2 c1cnccc1NN CUR-0097304 [0,0,0,0,0,1|3,0,0]=4 191 B5R0.1 CC(=O)OC=C CUR-0001318 [1,0,1,0,0,0|1,0,0]=3 192 B5R0.1 C\C=C\C(=O)O CUR-0100765 [1,0,1,0,0,0|1,0,1]=4 193 B5R0.2 C(C=CCO)O CUR-0100969 [1,0,1,0,0,0|1,0,1]=4 194 B5R0.2 C(\C=C/CO)O CUR-0101515 [1,0,1,0,0,0|1,0,1]=4 195 B5R0.2 CCO\C=C\C CUR-0101289 [1,0,1,0,0,0|0,0,1]=3 196 B5R0.2 CC\C=C/C#N CUR-0101476 [1,0,1,0,0,0|1,0,1]=4 197 B5R0.2 CC\C=C/CO CUR-0101504 [1,0,1,0,0,0|0,0,1]=3 198 B5R0.3 COC(=O)C=C CUR-0018588 [1,0,1,0,0,0|1,0,1]=4 199 B5R1.1 C1C=CCO1 CUR-0017724 [2,0,0,0,0,0|0,0,2]=4 200 B5R1.1 C1COC=C1 CUR-0023942 [2,0,0,0,0,0|0,0,2]=4 201 B5R1.1 c1c[nH]nc1 CUR-0027742 [2,0,0,0,0,0|2,0,0]=4 202 B5R1.1 c1cc[nH]c1 CUR-0101433 [2,0,0,0,0,0|1,0,0]=3 203 B5R1.1 c1ccoc1 CUR-0017577 [2,0,0,0,0,0|0,0,0]=2 204 B5R1.1 c1ccsc1 CUR-0023526 [2,0,0,0,0,0|0,1,0]=3 205 B5R1.1 c1cnc[nH]1 CUR-0006831 [2,0,0,0,0,0|2,0,0]=4 206 B5R1.1 c1cnoc1 CUR-0101437 [2,0,0,0,0,0|1,0,0]=3 207 B7R0.4 C\C=C\C=C/C(=O)O CUR-0101700 [0,1,1,0,0,0|0,0,1]=3 208 B7R0.4 C\C=C\C=C\C(=O)O CUR-0100842 [0,1,1,0,0,0|0,0,1]=3 209 B7R1.2 C1=CC(=O)NC1=O CUR-0011255 [1,1,0,0,0,0|2,0,0]=4 210 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [1,1,0,0,0,0|1,0,0]=3 211 B7R1.2 Cc1cc(=O)[nH][nH]1 CUR-0101081 [1,1,0,0,0,0|2,0,0]=4 212 B7R1.2 Cc1cc(n[nH]1)C CUR-0012171 [1,1,0,0,0,0|2,0,0]=4 213 B7R1.2 Cc1cc(n[nH]1)N CUR-0013118 [1,1,0,0,0,0|2,0,0]=4 214 B7R1.2 Cc1cc(no1)N CUR-0024529 [1,1,0,0,0,0|1,0,0]=3 215 B7R1.2 Cc1cc(on1)C CUR-0101566 [1,1,0,0,0,0|1,0,0]=3 216 B7R1.2 Cc1cc(on1)N CUR-0022581 [1,1,0,0,0,0|2,0,0]=4 217 B7R1.2 Cc1cc(sn1)N CUR-0102387 [1,1,0,0,0,0|2,0,0]=4 218 B7R1.2 Cc1ccc(o1)C CUR-0101561 [1,1,0,0,0,0|0,0,0]=2 219 B7R1.2 Cc1ccc(s1)C CUR-0012643 [1,1,0,0,0,0|0,1,0]=3 220 B7R1.2 Cc1cnc(s1)N CUR-0101725 [1,1,0,0,0,0|1,1,0]=4 221 B7R1.2 Cc1coc(n1)N CUR-0010957 [1,1,0,0,0,0|2,0,0]=4 222 B7R1.2 Cc1csc(n1)Br CUR-0099044 [1,1,0,0,0,0|2,0,0]=4 223 B7R1.2 Cc1csc(n1)N CUR-0099540 [1,1,0,0,0,0|2,0,0]=4 224 B7R1.2 Cc1csc(n1)S CUR-0101982 [1,1,0,0,0,0|2,0,0]=4 225 B7R1.2 Cn1cc(cn1)I CUR-0001879 [1,1,0,0,0,0|2,0,0]=4 226 B7R1.2 Cn1cc(cn1)N CUR-0010797 [1,1,0,0,0,0|2,0,0]=4 227 B7R1.2 Cn1cc(cn1)N CUR-0100632 [1,1,0,0,0,0|2,0,0]=4 228 B7R1.2 Cn1cc(cn1)O CUR-0006197 [1,1,0,0,0,0|2,0,0]=4 229 B7R1.4 Cc1c(c[nH]n1)Br CUR-0100170 [1,1,0,0,0,0|2,0,0]=4 230 B7R1.4 Cc1nccn1C CUR-0101394 [1,1,0,0,0,0|2,0,0]=4 231 B7R1.4 c1csc(c1Br)Br CUR-0018312 [1,1,0,0,0,0|1,1,0]=4 232 B9R1.1 CCc1ccc(cc1)N CUR-0101815 [0,1,0,0,0,1|1,0,0]=3 233 B9R1.1 CCc1ccc(cc1)O CUR-0101831 [0,1,0,0,0,1|1,0,0]=3 234 B9R1.1 CCc1ccc(nc1)C CUR-0101818 [0,1,0,0,0,1|1,0,0]=3 235 B9R1.1 CNc1ccc(cc1)O CUR-0022262 [0,1,0,0,0,1|2,0,0]=4 236 B9R1.1 CNc1ccc(cc1)O CUR-0101222 [0,1,0,0,0,1|2,0,0]=4 237 B9R1.1 COc1ccc(cc1)Cl CUR-0048268 [0,1,0,0,0,1|2,0,0]=4 238 B9R1.1 COc1ccc(cc1)F CUR-0101887 [0,1,0,0,0,1|2,0,0]=4 239 B9R1.1 COc1ccc(cc1)I CUR-0103822 [0,1,0,0,0,1|2,0,0]=4 240 B9R1.1 COc1ccc(cc1)N CUR-0100837 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.1 COc1ccc(cc1)O CUR-0028796 [0,1,0,0,0,1|2,0,0]=4 242 B9R1.1 COc1ccc(cc1)S CUR-0102143 [0,1,0,0,0,1|2,0,0]=4 243 B9R1.1 COc1ccc(cn1)N CUR-0003326 [0,1,0,0,0,1|2,0,0]=4 244 B9R1.1 COc1ncc(cn1)Cl CUR-0097341 [0,1,0,0,0,1|2,0,0]=4 245 B9R1.1 CSc1ccc(cc1)N CUR-0102131 [0,1,0,0,0,1|2,0,0]=4 246 B9R1.1 Cc1ccc(cc1)CCl CUR-0102151 [0,1,0,0,0,1|2,0,0]=4 247 B9R1.1 Cc1ccc(cc1)CN CUR-0101819 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.1 Cc1ccc(cc1)OC CUR-0101834 [0,1,0,0,0,1|2,0,0]=4 249 B9R1.1 Cc1cnc(cn1)CCl CUR-0022147 [0,1,0,0,0,1|2,0,0]=4 250 B9R1.1 Cc1cnc(cn1)CN CUR-0015138 [0,1,0,0,0,1|2,0,0]=4 251 B9R1.1 Cc1cnc(cn1)CO CUR-0083373 [0,1,0,0,0,1|2,0,0]=4 252 B9R1.1 c1cc(ccc1CBr)Br CUR-0103921 [0,1,0,0,0,1|2,0,0]=4 253 B9R1.1 c1cc(ccc1CBr)F CUR-0103233 [0,1,0,0,0,1|2,0,0]=4 254 B9R1.1 c1cc(ccc1CCl)Br CUR-0048248 [0,1,0,0,0,1|2,0,0]=4 255 B9R1.1 c1cc(ccc1CCl)Cl CUR-0100970 [0,1,0,0,0,1|2,0,0]=4 256 B9R1.1 c1cc(ccc1CCl)F CUR-0100845 [0,1,0,0,0,1|2,0,0]=4 257 B9R1.1 c1cc(ccc1CCl)N CUR-0101273 [0,1,0,0,0,1|2,0,0]=4 258 B9R1.1 c1cc(ccc1CN)Br CUR-0103189 [0,1,0,0,0,1|2,0,0]=4 259 B9R1.1 c1cc(ccc1CN)Cl CUR-0102174 [0,1,0,0,0,1|2,0,0]=4 260 B9R1.1 c1cc(ccc1CN)F CUR-0005028 [0,1,0,0,0,1|2,0,0]=4 261 B9R1.1 c1cc(ccc1CN)N CUR-0038242 [0,1,0,0,0,1|2,0,0]=4 262 B9R1.1 c1cc(ccc1CN)O CUR-0100730 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.1 c1cc(ncc1CCl)Cl CUR-0011333 [0,1,0,0,0,1|2,0,0]=4 264 B9R1.2 CCc1cc(ncn1)Br CUR-0017866 [0,1,0,0,0,1|1,0,0]=3 265 B9R1.2 CCc1cc(ncn1)Cl CUR-0097045 [0,1,0,0,0,1|1,0,0]=3 266 B9R1.2 COc1cccc(c1)N CUR-0007825 [0,1,0,0,0,1|2,0,0]=4 267 B9R1.2 COc1cccc(c1)O CUR-0013270 [0,1,0,0,0,1|2,0,0]=4 268 B9R1.2 COc1ccnc(c1)N CUR-0096839 [0,1,0,0,0,1|2,0,0]=4 269 B9R1.2 COc1ccnc(n1)Cl CUR-0029215 [0,1,0,0,0,1|2,0,0]=4 270 B9R1.2 CSc1cccc(c1)N CUR-0102130 [0,1,0,0,0,1|2,0,0]=4 271 B9R1.2 Cc1cccc(c1)CCl CUR-0102150 [0,1,0,0,0,1|2,0,0]=4 272 B9R1.2 Cc1nccc(n1)CN CUR-0028918 [0,1,0,0,0,1|2,0,0]=4 273 B9R1.2 c1cc(cc(c1)Br)CBr CUR-0103920 [0,1,0,0,0,1|2,0,0]=4 274 B9R1.2 c1cc(cc(c1)Br)CN CUR-0101379 [0,1,0,0,0,1|2,0,0]=4 275 B9R1.2 c1cc(cc(c1)Cl)CBr CUR-0103527 [0,1,0,0,0,1|2,0,0]=4 276 B9R1.2 c1cc(cc(c1)Cl)CCl CUR-0102628 [0,1,0,0,0,1|2,0,0]=4 277 B9R1.2 c1cc(cc(c1)F)CBr CUR-0100972 [0,1,0,0,0,1|2,0,0]=4 278 B9R1.2 c1cc(cc(c1)F)CCl CUR-0009113 [0,1,0,0,0,1|2,0,0]=4 279 B9R1.2 c1cc(cc(c1)N)CO CUR-0101851 [0,1,0,0,0,1|2,0,0]=4 280 B9R1.2 c1cc(cc(c1)O)CO CUR-0101863 [0,1,0,0,0,1|2,0,0]=4 281 B9R1.2 c1cc(nc(c1)N)CN CUR-0153389 [0,1,0,0,0,1|2,0,0]=4 282 B9R1.6 CC(=C)c1ccccc1 CUR-0101783 [0,1,0,0,0,1|1,0,1]=4 283 B9R1.6 CC(=O)c1ccccc1 CUR-0002350 [0,1,0,0,0,1|1,0,1]=4 284 B9R1.6 CC(=O)c1ccccn1 CUR-0017575 [0,1,0,0,0,1|1,0,1]=4 285 B9R1.6 CC(=O)c1cccnc1 CUR-0009551 [0,1,0,0,0,1|1,0,1]=4 286 B9R1.6 CC(=O)c1ccncc1 CUR-0002628 [0,1,0,0,0,1|1,0,1]=4 287 B9R1.6 CC(=O)c1cnccn1 CUR-0011618 [0,1,0,0,0,1|1,0,1]=4 288 B9R1.6 CC(c1ccccc1)Br CUR-0009957 [0,1,0,0,0,1|1,0,0]=3 289 B9R1.6 CC(c1ccccc1)N CUR-0006791 [0,1,0,0,0,1|1,0,0]=3 290 B9R1.6 CC(c1ccccn1)N CUR-0097687 [0,1,0,0,0,1|1,0,0]=3 291 B9R1.6 CC(c1cccnc1)Cl CUR-0095151 [0,1,0,0,0,1|1,0,0]=3 292 B9R1.6 CC(c1ccncc1)Cl CUR-0026970 [0,1,0,0,0,1|1,0,0]=3 293 B9R1.6 CN(C)c1ccccc1 CUR-0003058 [0,1,0,0,0,1|2,0,0]=4 294 B9R1.6 CN(C)c1ccncc1 CUR-0012964 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.6 C[C@@H](c1ccccc1)N CUR-0100794 [0,1,0,0,0,1|1,0,0]=3 296 B9R1.6 C[C@H](c1ccccc1)N CUR-0019064 [0,1,0,0,0,1|1,0,0]=3 297 B9R1.8 CCNc1ccccc1 CUR-0000606 [0,1,0,0,0,1|1,0,0]=3 298 B9R1.8 CCOC1CCC=CO1 CUR-0101924 [0,1,0,0,0,1|0,0,2]=4 299 B9R1.8 CCOc1ccccc1 CUR-0022022 [0,1,0,0,0,1|1,0,0]=3 300 B9R1.8 CCSc1ccccc1 CUR-0102116 [0,1,0,0,0,1|1,0,0]=3 301 B9R1.8 CNCc1ccccc1 CUR-0014590 [0,1,0,0,0,1|1,0,0]=3 302 B9R1.8 CNCc1cccnc1 CUR-0029160 [0,1,0,0,0,1|1,0,0]=3 303 B9R1.8 CNCc1ccncc1 CUR-0029135 [0,1,0,0,0,1|1,0,0]=3 304 B9R1.8 CNCc1cnccn1 CUR-0014979 [0,1,0,0,0,1|1,0,0]=3 305 B9R1.8 c1ccc(cc1)CC#N CUR-0026888 [0,1,0,0,0,1|1,0,1]=4 306 B9R1.8 c1ccc(cc1)CC=O CUR-0101800 [0,1,0,0,0,1|1,0,1]=4 307 B9R1.8 c1ccc(cc1)CCBr CUR-0103169 [0,1,0,0,0,1|1,0,0]=3 308 B9R1.8 c1ccc(cc1)CCCl CUR-0006599 [0,1,0,0,0,1|1,0,0]=3 309 B9R1.8 c1ccc(cc1)CCN CUR-0101814 [0,1,0,0,0,1|1,0,0]=3 310 B9R1.8 c1ccc(cc1)CCO CUR-0012636 [0,1,0,0,0,1|1,0,0]=3 311 B9R1.8 c1ccc(cc1)CNN CUR-0008775 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.8 c1ccc(cc1)CON CUR-0102606 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.8 c1ccnc(c1)CC#N CUR-0100818 [0,1,0,0,0,1|1,0,1]=4 314 B9R1.8 c1ccnc(c1)CNN CUR-0004430 [0,1,0,0,0,1|2,0,0]=4 315 B9R1.8 c1cnccc1CCN CUR-0097215 [0,1,0,0,0,1|1,0,0]=3 316 B9R1.8 c1cnccc1CNN CUR-0019570 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.15 CCc1ccccc1N CUR-0101239 [0,1,0,0,0,1|1,0,0]=3 318 B9R1.15 CNc1c(cccn1)N CUR-0100740 [0,1,0,0,0,1|2,0,0]=4 319 B9R1.15 COc1c(nccn1)Cl CUR-0009970 [0,1,0,0,0,1|2,0,0]=4 320 B9R1.15 COc1ccccc1Br CUR-0103202 [0,1,0,0,0,1|2,0,0]=4 321 B9R1.15 COc1ccccc1F CUR-0101889 [0,1,0,0,0,1|2,0,0]=4 322 B9R1.15 COc1ccccc1I CUR-0103823 [0,1,0,0,0,1|2,0,0]=4 323 B9R1.15 COc1ccccc1N CUR-0026684 [0,1,0,0,0,1|2,0,0]=4 324 B9R1.15 COc1ccccc1N CUR-0101258 [0,1,0,0,0,1|2,0,0]=4 325 B9R1.15 COc1ccccc1O CUR-0101859 [0,1,0,0,0,1|2,0,0]=4 326 B9R1.15 COc1cccnc1I CUR-0103830 [0,1,0,0,0,1|2,0,0]=4 327 B9R1.15 CSc1ccccc1N CUR-0102129 [0,1,0,0,0,1|2,0,0]=4 328 B9R1.15 Cc1ccccc1CCl CUR-0000197 [0,1,0,0,0,1|2,0,0]=4 329 B9R1.15 Cc1ccccc1OC CUR-0101827 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.15 c1cc(c(nc1)CN)F CUR-0085564 [0,1,0,0,0,1|2,0,0]=4 331 B9R1.15 c1ccc(c(c1)CBr)Br CUR-0103922 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.15 c1ccc(c(c1)CBr)F CUR-0103234 [0,1,0,0,0,1|2,0,0]=4 333 B9R1.15 c1ccc(c(c1)CCl)Cl CUR-0100771 [0,1,0,0,0,1|2,0,0]=4 334 B9R1.15 c1ccc(c(c1)CN)Cl CUR-0102172 [0,1,0,0,0,1|2,0,0]=4 335 B9R1.15 c1ccc(c(c1)CN)F CUR-0101874 [0,1,0,0,0,1|2,0,0]=4 336 B9R1.15 c1ccc(c(c1)CN)N CUR-0101838 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.15 c1ccc(c(c1)CO)N CUR-0101848 [0,1,0,0,0,1|2,0,0]=4 338 B9R1.15 c1ccc(c(c1)CO)O CUR-0101860 [0,1,0,0,0,1|2,0,0]=4 339 B9R1.7 CCCc1[nH]cc(n1)C CUR-0098579 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.7 CCCn1cc(cn1)N CUR-0024958 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.7 COCc1cc(no1)N CUR-0120754 [0,2,0,0,0,0|1,0,0]=3 342 B9R1.7 COCc1csc(n1)N CUR-0027363 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.7 CSCc1nnc(o1)N CUR-0099278 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.7 Cc1cc([nH]n1)CCN CUR-0121742 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.7 Cc1cc(no1)CCCl CUR-0004593 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.7 Cc1cc(on1)CCCl CUR-0022078 [0,2,0,0,0,0|1,0,0]=3 347 B9R1.7 Cc1cc(on1)CCN CUR-0098362 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.7 Cc1cc(on1)CCO CUR-0098557 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.7 Cc1ccc(o1)CNC CUR-0101277 [0,2,0,0,0,0|0,0,0]=2 350 B9R1.7 Cc1csc(n1)CCN CUR-0098677 [0,2,0,0,0,0|1,1,0]=4 351 B9R1.7 Cc1nc(on1)CCN CUR-0100618 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.7 Cc1nc(on1)CNC CUR-0100694 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.7 Cc1nnc(o1)CNC CUR-0043805 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.21 CCc1cc(on1)CCl CUR-0000841 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.21 CCc1cc(on1)CN CUR-0018002 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.21 CCc1nc(no1)CCl CUR-0014537 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.21 c1cc(oc1CN)CO CUR-0013378 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.21 c1cc(oc1CO)C=O CUR-0101881 [0,2,0,0,0,0|1,0,0]=3 359 B9R1.21 c1cc(sc1CBr)C#N CUR-0098371 [0,2,0,0,0,0|1,1,0]=4 360 B9R1.21 c1cc(sc1CN)C#N CUR-0098558 [0,2,0,0,0,0|1,1,0]=4 361 B9R1.23 Cc1c(oc(n1)CCl)C CUR-0001674 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.35 CC(=O)c1ccc(s1)Br CUR-0103517 [0,2,0,0,0,0|0,1,1]=4 363 B9R1.35 CC(=O)c1ccc(s1)Cl CUR-0102625 [0,2,0,0,0,0|0,1,1]=4 364 B9R1.35 Cc1ccc(o1)C(=O)C CUR-0101867 [0,2,0,0,0,0|0,0,1]=3 365 B9R1.35 Cc1nc(on1)C(C)Cl CUR-0015598 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.35 Cc1nnc(o1)C(C)Cl CUR-0003191 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.35 c1cc(oc1C(=O)O)Br CUR-0011302 [0,2,0,0,0,0|1,0,1]=4 368 B9R1.11 CC(c1cccs1)NC CUR-0011737 [0,2,0,0,0,0|0,1,0]=3 369 B9R1.11 c1cc(oc1)C(=O)CCl CUR-0055851 [0,2,0,0,0,0|0,0,1]=3 370 B9R1.11 c1cc(oc1)C(=O)NN CUR-0101020 [0,2,0,0,0,0|1,0,1]=4 371 B9R1.11 c1cscc1C(CN)O CUR-0086315 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.19 CC(C)(c1[nH]ccn1)O CUR-0120310 [0,2,0,0,0,0|2,0,0]=4 373 B9R1.19 CC(C)(c1ccon1)N CUR-0026519 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.41 CC(C)n1c(ccn1)N CUR-0008801 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.41 Cc1ccoc1C(=O)O CUR-0004502 [0,2,0,0,0,0|1,0,1]=4 376 B9R1.12 c1cc(sc1)CN=C=O CUR-0043228 [0,2,0,0,0,0|0,1,1]=4 377 B9R1.12 c1cnn(c1)CCC=O CUR-0122556 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.12 c1cnn(c1)CCCN CUR-0028867 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.12 c1cnn(c1)CCNN CUR-0036510 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.13 CC(=O)Cc1ccco1 CUR-0101861 [0,2,0,0,0,0|0,0,0]=2 381 B9R1.13 CC(=O)Nc1cccs1 CUR-0098267 [0,2,0,0,0,0|0,1,1]=4 382 B9R1.13 c1cc(sc1)CC(=O)Cl CUR-0031290 [0,2,0,0,0,0|0,1,1]=4 383 B9R1.13 c1cc(sc1)CC(=O)O CUR-0013133 [0,2,0,0,0,0|0,1,1]=4 384 B9R1.33 Cn1c(ccn1)CCCl CUR-0012885 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.33 Cn1c(ccn1)CCO CUR-0023919 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.14 CCn1cccc1C=O CUR-0032264 [0,2,0,0,0,0|2,0,0]=4 387 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [0,0,1,1,0,0|0,0,2]=4 388 B7R1.3 c1cc(cnc1)O CUR-0101555 [0,0,1,1,0,0|1,0,1]=4 389 B7R1.3 c1ccc(cc1)O CUR-0014170 [0,0,1,1,0,0|0,0,2]=4 390 B9R2.3 c1c2c([nH]n1)CSC2 CUR-0153426 [0,1,0,1,0,0|2,0,0]=4 391 B9R2.3 c1cn2c(n1)NCC2 CUR-0098741 [0,1,0,1,0,0|2,0,0]=4