0 B5R1.1 C1C=CCO1 CUR-0017724 [0,0,0,0,0,0|1,0,2]=3 1 B5R1.1 C1CCNC1 CUR-0027320 [0,0,0,0,0,0|0,0,4]=4 2 B5R1.1 C1COC=C1 CUR-0023942 [0,0,0,0,0,0|1,0,2]=3 3 B5R1.1 c1[nH]cnn1 CUR-0013962 [0,0,0,0,0,0|2,0,0]=2 4 B5R1.1 c1[nH]nnn1 CUR-0010468 [0,0,0,0,0,0|3,0,0]=3 5 B5R1.1 c1c[nH]nc1 CUR-0027742 [0,0,0,0,0,0|1,0,0]=1 6 B5R1.1 c1cc[nH]c1 CUR-0101433 [0,0,0,0,0,0|0,0,0]=0 7 B5R1.1 c1ccoc1 CUR-0017577 [0,0,0,0,0,0|1,0,0]=1 8 B5R1.1 c1ccsc1 CUR-0023526 [0,0,0,0,0,0|1,0,0]=1 9 B5R1.1 c1cnc[nH]1 CUR-0006831 [0,0,0,0,0,0|1,0,0]=1 10 B5R1.1 c1cnn[nH]1 CUR-0101439 [0,0,0,0,0,0|2,0,0]=2 11 B5R1.1 c1cnoc1 CUR-0101437 [0,0,0,0,0,0|1,0,1]=2 12 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [0,1,0,0,0,0|1,0,1]=3 13 B6R1.2 C1CC(=O)NC1 CUR-0017206 [0,1,0,0,0,0|0,0,3]=4 14 B6R1.2 C1CNC(=O)N1 CUR-0017995 [0,1,0,0,0,0|1,0,2]=4 15 B6R1.2 C1CNC(=O)N1 CUR-0101499 [0,1,0,0,0,0|1,0,2]=4 16 B6R1.2 C1CNC(=S)N1 CUR-0101624 [0,1,0,0,0,0|1,0,2]=4 17 B6R1.2 C1COC(=O)N1 CUR-0101507 [0,1,0,0,0,0|1,0,2]=4 18 B6R1.2 C1CSC(=N)N1 CUR-0101395 [0,1,0,0,0,0|1,0,2]=4 19 B6R1.2 Cc1[nH]ccn1 CUR-0003878 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 Cc1[nH]nnn1 CUR-0101485 [0,1,0,0,0,0|3,0,0]=4 21 B6R1.2 Cc1cc[nH]n1 CUR-0101477 [0,1,0,0,0,0|1,0,0]=2 22 B6R1.2 Cc1ccco1 CUR-0026171 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 Cc1cccs1 CUR-0101571 [0,1,0,0,0,0|1,0,0]=2 24 B6R1.2 Cc1ccno1 CUR-0100786 [0,1,0,0,0,0|1,0,1]=3 25 B6R1.2 Cc1ccsc1 CUR-0006917 [0,1,0,0,0,0|1,0,0]=2 26 B6R1.2 Cc1cscn1 CUR-0101579 [0,1,0,0,0,0|1,0,1]=3 27 B6R1.2 Cn1cccc1 CUR-0101475 [0,1,0,0,0,0|0,0,0]=1 28 B6R1.2 Cn1cccn1 CUR-0023331 [0,1,0,0,0,0|1,0,0]=2 29 B6R1.2 Cn1ccnc1 CUR-0022901 [0,1,0,0,0,0|1,0,0]=2 30 B6R1.2 c1([nH]nnn1)N CUR-0015205 [0,1,0,0,0,0|3,0,0]=4 31 B6R1.2 c1[nH]nc(n1)N CUR-0003118 [0,1,0,0,0,0|2,0,0]=3 32 B6R1.2 c1c(cn[nH]1)Br CUR-0028319 [0,1,0,0,0,0|1,0,0]=2 33 B6R1.2 c1c(cn[nH]1)N CUR-0003042 [0,1,0,0,0,0|1,0,0]=2 34 B6R1.2 c1c(con1)N CUR-0100627 [0,1,0,0,0,0|1,0,1]=3 35 B6R1.2 c1c(nsn1)Cl CUR-0099633 [0,1,0,0,0,0|2,0,1]=4 36 B6R1.2 c1c[nH]nc1N CUR-0101482 [0,1,0,0,0,0|1,0,0]=2 37 B6R1.2 c1cc(sc1)Br CUR-0102679 [0,1,0,0,0,0|1,0,0]=2 38 B6R1.2 c1cc(sc1)Cl CUR-0013952 [0,1,0,0,0,0|1,0,0]=2 39 B6R1.2 c1cc(sc1)I CUR-0103583 [0,1,0,0,0,0|1,0,0]=2 40 B6R1.2 c1cnc([nH]1)S CUR-0010371 [0,1,0,0,0,0|1,0,0]=2 41 B6R1.2 c1coc(=S)[nH]1 CUR-0096935 [0,1,0,0,0,0|1,0,0]=2 42 B6R1.2 c1coc(n1)N CUR-0003564 [0,1,0,0,0,0|1,0,1]=3 43 B6R1.2 c1cocc1Br CUR-0102292 [0,1,0,0,0,0|1,0,0]=2 44 B6R1.2 c1conc1N CUR-0101483 [0,1,0,0,0,0|1,0,1]=3 45 B6R1.2 c1csc(n1)Br CUR-0013712 [0,1,0,0,0,0|1,0,1]=3 46 B6R1.2 c1csc(n1)N CUR-0023749 [0,1,0,0,0,0|1,0,1]=3 47 B6R1.2 c1cscc1Br CUR-0102678 [0,1,0,0,0,0|1,0,0]=2 48 B6R1.2 c1cscc1F CUR-0098914 [0,1,0,0,0,0|1,0,0]=2 49 B6R1.2 c1cscc1N CUR-0103243 [0,1,0,0,0,0|1,0,0]=2 50 B6R1.2 c1nnc(o1)N CUR-0009126 [0,1,0,0,0,0|2,0,1]=4 51 B6R1.2 c1nnc(s1)Cl CUR-0000896 [0,1,0,0,0,0|2,0,1]=4 52 B6R1.2 c1nncn1N CUR-0096691 [0,1,0,0,0,0|2,0,0]=3 53 B4R0.2 C=CCC#N CUR-0014589 [0,0,1,0,0,0|0,0,3]=4 54 B4R0.2 C=CCCBr CUR-0002027 [0,0,1,0,0,0|1,0,2]=4 55 B4R0.2 C=CCCI CUR-0000685 [0,0,1,0,0,0|1,0,2]=4 56 B4R0.2 C=CCCO CUR-0101449 [0,0,1,0,0,0|1,0,2]=4 57 B4R0.2 C=CCNN CUR-0101265 [0,0,1,0,0,0|1,0,1]=3 58 B4R0.2 C=CCNN CUR-0122500 [0,0,1,0,0,0|1,0,1]=3 59 B4R0.2 CC=CC#N CUR-0028876 [0,0,1,0,0,0|0,0,3]=4 60 B4R0.2 CCOC=C CUR-0100764 [0,0,1,0,0,0|1,0,2]=4 61 B4R0.2 C\C=C\C#N CUR-0101432 [0,0,1,0,0,0|0,0,3]=4 62 B4R0.2 C\C=C\C=O CUR-0001472 [0,0,1,0,0,0|1,0,1]=3 63 B4R1.1 C1CNC1 CUR-0026397 [0,0,0,0,1,0|0,0,3]=4 64 B6R1.1 C1CC=COC1 CUR-0027513 [0,0,0,0,0,1|1,0,2]=4 65 B6R1.1 C1CCC=CC1 CUR-0022869 [0,0,0,0,0,1|1,0,2]=4 66 B6R1.1 c1ccncc1 CUR-0022962 [0,0,0,0,0,1|0,0,1]=2 67 B6R1.1 c1ccncc1 CUR-0027966 [0,0,0,0,0,1|0,0,1]=2 68 B6R1.1 c1ccncc1 CUR-0101574 [0,0,0,0,0,1|0,0,1]=2 69 B6R1.1 c1cnccn1 CUR-0101472 [0,0,0,0,0,1|0,0,1]=2 70 B3R0.1 C(=O)C=O CUR-0024623 [1,0,1,0,0,0|2,0,0]=4 71 B3R0.1 C(=O)NN CUR-0101193 [1,0,1,0,0,0|2,0,0]=4 72 B3R0.1 C=CC#N CUR-0023863 [1,0,1,0,0,0|0,0,2]=4 73 B3R0.1 C=CCBr CUR-0014802 [1,0,1,0,0,0|1,0,1]=4 74 B3R0.1 C=CCCl CUR-0002102 [1,0,1,0,0,0|1,0,1]=4 75 B3R0.1 C=CCI CUR-0024817 [1,0,1,0,0,0|1,0,1]=4 76 B3R0.1 C=CCN CUR-0009493 [1,0,1,0,0,0|0,0,1]=3 77 B3R0.1 C=CCO CUR-0101427 [1,0,1,0,0,0|1,0,1]=4 78 B3R0.1 CNC=O CUR-0012781 [1,0,1,0,0,0|1,0,1]=4 79 B5R0.1 CC(=O)OC=C CUR-0001318 [0,1,1,0,0,0|1,0,1]=4 80 B5R0.1 C\C(=C\C#N)\N CUR-0009988 [0,1,1,0,0,0|1,0,1]=4 81 B5R0.1 C\C=C\C(=O)O CUR-0100765 [0,1,1,0,0,0|1,0,1]=4 82 B5R0.2 C=CCCCN CUR-0089890 [0,1,1,0,0,0|0,0,2]=4 83 B5R0.3 COC(=O)C=C CUR-0018588 [0,1,1,0,0,0|1,0,1]=4 84 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [0,1,0,0,0,1|1,0,1]=4 85 B7R1.3 Cc1ccccn1 CUR-0005465 [0,1,0,0,0,1|0,0,1]=3 86 B7R1.3 Cc1cccnc1 CUR-0100815 [0,1,0,0,0,1|0,0,1]=3 87 B7R1.3 Cc1ccncc1 CUR-0027079 [0,1,0,0,0,1|0,0,1]=3 88 B7R1.3 Cc1cnccn1 CUR-0100916 [0,1,0,0,0,1|0,0,1]=3 89 B7R1.3 c1c(cncn1)Br CUR-0004760 [0,1,0,0,0,1|0,0,1]=3 90 B7R1.3 c1c(cncn1)I CUR-0026023 [0,1,0,0,0,1|0,0,1]=3 91 B7R1.3 c1c(cnnn1)Br CUR-0100868 [0,1,0,0,0,1|1,0,1]=4 92 B7R1.3 c1cc(=O)[nH]nc1 CUR-0115206 [0,1,0,0,0,1|0,0,0]=2 93 B7R1.3 c1cc(cnc1)Br CUR-0009235 [0,1,0,0,0,1|0,0,1]=3 94 B7R1.3 c1cc(cnc1)F CUR-0101564 [0,1,0,0,0,1|0,0,1]=3 95 B7R1.3 c1cc(cnc1)N CUR-0019682 [0,1,0,0,0,1|0,0,1]=3 96 B7R1.3 c1cc(cnc1)O CUR-0101555 [0,1,0,0,0,1|0,0,1]=3 97 B7R1.3 c1cc(nnc1)S CUR-0097040 [0,1,0,0,0,1|0,0,1]=3 98 B7R1.3 c1cc[n+](cc1)[O-] CUR-0003254 [0,1,0,0,0,1|0,0,1]=3 99 B7R1.3 c1cc[nH]c(=O)c1 CUR-0101554 [0,1,0,0,0,1|0,0,0]=2 100 B7R1.3 c1ccc(cc1)Br CUR-0101195 [0,1,0,0,0,1|1,0,0]=3 101 B7R1.3 c1ccc(cc1)Cl CUR-0027821 [0,1,0,0,0,1|1,0,0]=3 102 B7R1.3 c1ccc(cc1)F CUR-0101403 [0,1,0,0,0,1|1,0,0]=3 103 B7R1.3 c1ccc(cc1)I CUR-0025654 [0,1,0,0,0,1|1,0,0]=3 104 B7R1.3 c1ccc(cc1)N CUR-0004820 [0,1,0,0,0,1|1,0,0]=3 105 B7R1.3 c1ccc(cc1)N CUR-0101212 [0,1,0,0,0,1|1,0,0]=3 106 B7R1.3 c1ccc(cc1)O CUR-0014170 [0,1,0,0,0,1|1,0,0]=3 107 B7R1.3 c1ccc(cc1)S CUR-0028213 [0,1,0,0,0,1|1,0,0]=3 108 B7R1.3 c1ccnc(c1)Br CUR-0027498 [0,1,0,0,0,1|0,0,1]=3 109 B7R1.3 c1ccnc(c1)Cl CUR-0025795 [0,1,0,0,0,1|0,0,1]=3 110 B7R1.3 c1ccnc(c1)F CUR-0001564 [0,1,0,0,0,1|0,0,1]=3 111 B7R1.3 c1ccnc(c1)N CUR-0014738 [0,1,0,0,0,1|0,0,1]=3 112 B7R1.3 c1ccnc(c1)S CUR-0101115 [0,1,0,0,0,1|0,0,1]=3 113 B7R1.3 c1cnc(cn1)Cl CUR-0011494 [0,1,0,0,0,1|0,0,1]=3 114 B7R1.3 c1cnc(cn1)N CUR-0026531 [0,1,0,0,0,1|0,0,1]=3 115 B7R1.3 c1cnc(nc1)N CUR-0016913 [0,1,0,0,0,1|0,0,1]=3 116 B7R1.3 c1cnc(nc1)S CUR-0101701 [0,1,0,0,0,1|0,0,1]=3 117 B7R1.3 c1cnccc1Br CUR-0024741 [0,1,0,0,0,1|0,0,1]=3 118 B7R1.3 c1cnccc1Cl CUR-0000753 [0,1,0,0,0,1|0,0,1]=3 119 B7R1.3 c1cnccc1Cl CUR-0101201 [0,1,0,0,0,1|0,0,1]=3 120 B7R1.3 c1cnccc1N CUR-0006858 [0,1,0,0,0,1|0,0,1]=3 121 B7R1.3 c1cnnc(n1)N CUR-0015994 [0,1,0,0,0,1|1,0,1]=4 122 B7R1.1 C#Cc1nccs1 CUR-0144303 [0,2,0,0,0,0|1,0,1]=4 123 B7R1.1 CCc1[nH]ccn1 CUR-0101562 [0,2,0,0,0,0|1,0,0]=3 124 B7R1.1 CCc1cccs1 CUR-0101705 [0,2,0,0,0,0|1,0,0]=3 125 B7R1.1 c1[nH]c(nn1)CN CUR-0122284 [0,2,0,0,0,0|2,0,0]=4 126 B7R1.1 c1[nH]nc(n1)C#N CUR-0101250 [0,2,0,0,0,0|2,0,0]=4 127 B7R1.1 c1c([nH]cn1)CCl CUR-0120555 [0,2,0,0,0,0|1,0,0]=3 128 B7R1.1 c1c(cn[nH]1)CN CUR-0019813 [0,2,0,0,0,0|1,0,0]=3 129 B7R1.1 c1c(con1)CN CUR-0100648 [0,2,0,0,0,0|1,0,1]=4 130 B7R1.1 c1c(nc[nH]1)C=O CUR-0101560 [0,2,0,0,0,0|1,0,0]=3 131 B7R1.1 c1c(nco1)CCl CUR-0008214 [0,2,0,0,0,0|1,0,1]=4 132 B7R1.1 c1c(nn[nH]1)C#N CUR-0058103 [0,2,0,0,0,0|2,0,0]=4 133 B7R1.1 c1c(ocn1)CN CUR-0161748 [0,2,0,0,0,0|1,0,1]=4 134 B7R1.1 c1cc([nH]c1)C=O CUR-0101556 [0,2,0,0,0,0|0,0,0]=2 135 B7R1.1 c1cc(oc1)C#N CUR-0101548 [0,2,0,0,0,0|1,0,0]=3 136 B7R1.1 c1cc(oc1)C=O CUR-0027369 [0,2,0,0,0,0|1,0,0]=3 137 B7R1.1 c1cc(oc1)CN CUR-0006239 [0,2,0,0,0,0|1,0,0]=3 138 B7R1.1 c1cc(oc1)CO CUR-0018391 [0,2,0,0,0,0|1,0,0]=3 139 B7R1.1 c1cc(oc1)CS CUR-0101724 [0,2,0,0,0,0|1,0,0]=3 140 B7R1.1 c1cc(sc1)C#N CUR-0101678 [0,2,0,0,0,0|1,0,0]=3 141 B7R1.1 c1cc(sc1)C=O CUR-0025426 [0,2,0,0,0,0|1,0,0]=3 142 B7R1.1 c1cc(sc1)CN CUR-0000390 [0,2,0,0,0,0|1,0,0]=3 143 B7R1.1 c1cc(sc1)CO CUR-0023830 [0,2,0,0,0,0|1,0,0]=3 144 B7R1.1 c1cn[nH]c1CN CUR-0011116 [0,2,0,0,0,0|1,0,0]=3 145 B7R1.1 c1cnc([nH]1)C=O CUR-0002735 [0,2,0,0,0,0|1,0,0]=3 146 B7R1.1 c1cnoc1CN CUR-0084598 [0,2,0,0,0,0|1,0,1]=4 147 B7R1.1 c1cocc1C=O CUR-0101559 [0,2,0,0,0,0|1,0,0]=3 148 B7R1.1 c1conc1CCl CUR-0006498 [0,2,0,0,0,0|1,0,1]=4 149 B7R1.1 c1csc(n1)CCl CUR-0101254 [0,2,0,0,0,0|1,0,1]=4 150 B7R1.1 c1cscc1C#N CUR-0101677 [0,2,0,0,0,0|1,0,0]=3 151 B7R1.1 c1cscc1C=O CUR-0026809 [0,2,0,0,0,0|1,0,0]=3 152 B7R1.1 c1cscc1CO CUR-0029172 [0,2,0,0,0,0|1,0,0]=3 153 B7R1.2 C1=CC(=O)NC1=O CUR-0011255 [0,2,0,0,0,0|0,0,0]=2 154 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [0,2,0,0,0,0|1,0,0]=3 155 B7R1.2 C1C(=N)NC(=O)S1 CUR-0096040 [0,2,0,0,0,0|1,0,1]=4 156 B7R1.2 C1C(=O)CNC1=O CUR-0122247 [0,2,0,0,0,0|0,0,2]=4 157 B7R1.2 C1C(=O)NC(=O)N1 CUR-0101582 [0,2,0,0,0,0|1,0,1]=4 158 B7R1.2 C1C(=O)NC(=S)S1 CUR-0102016 [0,2,0,0,0,0|1,0,1]=4 159 B7R1.2 C1CC(=O)NC1=O CUR-0005450 [0,2,0,0,0,0|0,0,2]=4 160 B7R1.2 Cc1cc(=O)[nH][nH]1 CUR-0101081 [0,2,0,0,0,0|1,0,0]=3 161 B7R1.2 Cc1cc(n[nH]1)C CUR-0012171 [0,2,0,0,0,0|1,0,0]=3 162 B7R1.2 Cc1cc(n[nH]1)N CUR-0013118 [0,2,0,0,0,0|1,0,0]=3 163 B7R1.2 Cc1cc(no1)N CUR-0024529 [0,2,0,0,0,0|1,0,1]=4 164 B7R1.2 Cc1cc(on1)C CUR-0101566 [0,2,0,0,0,0|1,0,1]=4 165 B7R1.2 Cc1cc(on1)N CUR-0022581 [0,2,0,0,0,0|1,0,1]=4 166 B7R1.2 Cc1cc(sn1)N CUR-0102387 [0,2,0,0,0,0|1,0,1]=4 167 B7R1.2 Cc1ccc(o1)C CUR-0101561 [0,2,0,0,0,0|1,0,0]=3 168 B7R1.2 Cc1ccc(s1)C CUR-0012643 [0,2,0,0,0,0|1,0,0]=3 169 B7R1.2 Cc1cnc(s1)N CUR-0101725 [0,2,0,0,0,0|1,0,1]=4 170 B7R1.2 Cc1coc(n1)N CUR-0010957 [0,2,0,0,0,0|1,0,1]=4 171 B7R1.2 Cc1csc(n1)Br CUR-0099044 [0,2,0,0,0,0|1,0,1]=4 172 B7R1.2 Cc1csc(n1)N CUR-0099540 [0,2,0,0,0,0|1,0,1]=4 173 B7R1.2 Cc1csc(n1)S CUR-0101982 [0,2,0,0,0,0|1,0,1]=4 174 B7R1.2 Cn1cc(cn1)I CUR-0001879 [0,2,0,0,0,0|1,0,0]=3 175 B7R1.2 Cn1cc(cn1)N CUR-0010797 [0,2,0,0,0,0|1,0,0]=3 176 B7R1.2 Cn1cc(cn1)N CUR-0100632 [0,2,0,0,0,0|1,0,0]=3 177 B7R1.2 Cn1cc(cn1)O CUR-0006197 [0,2,0,0,0,0|1,0,0]=3 178 B7R1.2 c1(nc([nH]n1)S)N CUR-0101752 [0,2,0,0,0,0|2,0,0]=4 179 B7R1.2 c1c(nc(s1)Br)Br CUR-0100574 [0,2,0,0,0,0|1,0,1]=4 180 B7R1.2 c1c(sc(n1)Br)Br CUR-0006343 [0,2,0,0,0,0|1,0,1]=4 181 B7R1.4 Cc1c(c[nH]n1)Br CUR-0100170 [0,2,0,0,0,0|1,0,0]=3 182 B7R1.4 Cc1nccn1C CUR-0101394 [0,2,0,0,0,0|1,0,0]=3 183 B7R1.4 Cn1ccnc1S CUR-0016488 [0,2,0,0,0,0|1,0,0]=3 184 B7R1.4 Cn1cnnc1S CUR-0101739 [0,2,0,0,0,0|2,0,0]=4 185 B7R1.4 c1(c(n[nH]n1)Br)Br CUR-0121035 [0,2,0,0,0,0|2,0,0]=4 186 B7R1.4 c1[nH]c(c(n1)Br)Br CUR-0100573 [0,2,0,0,0,0|1,0,0]=3 187 B7R1.4 c1[nH]c(c(n1)Br)Cl CUR-0121747 [0,2,0,0,0,0|1,0,0]=3 188 B7R1.4 c1[nH]c(c(n1)Cl)Cl CUR-0102084 [0,2,0,0,0,0|1,0,0]=3 189 B7R1.4 c1csc(c1Br)Br CUR-0018312 [0,2,0,0,0,0|1,0,0]=3