0 B8R1.8 C1C=CC=C1CC#N 44131 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.8 C=CCn1ccnc1 L11053 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.8 CCCc1ccco1 B21703 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CCCc1cccs1 L03052 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CCCc1nccs1 A11574 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 CSCc1ccco1 B21691 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 c1c(nc[nH]1)CC#N H32992 [0,0,0,0,0,0|0,0,4]=4 7 B8R1.8 c1c(nc[nH]1)CCN L09198 [0,0,0,0,0,0|0,0,2]=2 8 B8R1.8 c1cc([nH]c1)\C=N\O L18959 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.8 c1cc(sc1)CC#N A15047 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.8 c1cc(sc1)CCN A10920 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 c1cc(sc1)CCO B21562 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 c1cn(cn1)CC#N H66012 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.8 c1cscc1CC#N A12805 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.8 c1cscc1CCO L15138 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 c1ncn(n1)CCN H35442 [0,0,0,0,0,0|1,0,1]=2 16 B7R1.1 C(c1[nH]nnn1)Cl H61643 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 C1C=CC=C1CO 39257 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 CCC1=CC=CC1 39253 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.1 CCC1=CC=CC1 H27592 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 CCC1=CC=CC1 H27618 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 CCC1=CC=CC1 H27769 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 CCc1[nH]ccn1 B24090 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 CCc1ccco1 A15520 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.1 CCc1cccs1 A13372 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 COc1ccco1 A15593 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 COc1cccs1 A10455 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 COc1ccsc1 B21940 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 CSc1c[nH]cn1 H63990 [1,0,0,0,0,0|1,0,2]=4 29 B7R1.1 CSc1cccs1 A11763 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 C[Mn]C1=CC=CC1 47125 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 c1c(nc[nH]1)CO L20182 [1,0,0,0,0,0|1,0,2]=4 32 B7R1.1 c1c(scn1)C=O H60138 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.1 c1cc([nH]c1)C#N L15330 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.1 c1cc([nH]c1)C=O A12838 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 c1cc(oc1)CN B23975 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.1 c1cc(oc1)CO A10968 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 c1cc(oc1)CS B22380 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 c1cc(sc1)CN A11700 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.1 c1cc(sc1)CO A15768 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 c1cscc1CBr H61497 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 c1cscc1CN H61487 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.1 c1cscc1CO L01935 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 c1ncn(n1)CCl H33830 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.7 CCCc1cc(n[nH]1)N H50969 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.7 CCCc1cc(n[nH]1)N H51024 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.12 CCCCC1=CC=CC1 H27576 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.12 CCCCC1=CCC=C1 A16719 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.12 CCCCc1ccco1 A13376 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.12 CCCCc1cccs1 A12740 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.12 CCCCc1ccsc1 H55795 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.12 CCCCn1ccnc1 L07793 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.12 c1cn(cn1)CCCN A14169 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.13 c1cc(sc1)CC(=O)N L19221 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.13 c1cc(sc1)CC(=S)N H58178 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.33 Cc1c(scn1)CCO A13567 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.8 C1CCC(=CC1)CCN L08261 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.8 CCCc1ccccc1 B21468 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.8 CCOc1cnccn1 B25219 [0,0,0,0,0,1|2,0,1]=4 60 B9R1.8 CNCc1cccnc1 H50262 [0,0,0,0,0,1|3,0,0]=4 61 B9R1.8 c1cc(cnc1)CC#N B24964 [0,0,0,0,0,1|1,0,2]=4 62 B9R1.8 c1cc(cnc1)CCN L16311 [0,0,0,0,0,1|1,0,0]=2 63 B9R1.8 c1ccc(cc1)CCBr A12528 [0,0,0,0,0,1|3,0,0]=4 64 B9R1.8 c1ccc(cc1)CCCl L04891 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.8 c1ccc(cc1)CCN A13402 [0,0,0,0,0,1|2,0,0]=3 66 B9R1.8 c1ccc(cc1)CCO A15241 [0,0,0,0,0,1|3,0,0]=4 67 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [0,0,0,0,0,1|3,0,0]=4 68 B9R1.8 c1ccc(cc1)CNN H54916 [0,0,0,0,0,1|3,0,0]=4 69 B9R1.8 c1ccc(cc1)CON A17393 [0,0,0,0,0,1|3,0,0]=4 70 B9R1.8 c1ccc(cc1)CON L13601 [0,0,0,0,0,1|3,0,0]=4 71 B9R1.8 c1ccnc(c1)CCN L05627 [0,0,0,0,0,1|1,0,1]=3 72 B9R1.8 c1ccnc(c1)CCO B23579 [0,0,0,0,0,1|2,0,1]=4 73 B9R1.8 c1cnc(cn1)CCS A13045 [0,0,0,0,0,1|1,0,1]=3 74 B9R1.8 c1cnccc1CC#N B25095 [0,0,0,0,0,1|1,0,2]=4 75 B9R1.8 c1cnccc1CC#N H64588 [0,0,0,0,0,1|1,0,2]=4 76 B9R1.8 c1cnccc1CCN H27545 [0,0,0,0,0,1|1,0,0]=2 77 B9R1.8 c1cnccc1CCO L13780 [0,0,0,0,0,1|2,0,0]=3 78 B6R0.6 CCC\C=C\C=O A11513 [1,0,1,0,0,0|2,0,0]=4 79 B6R0.1 CCCC(=O)C=C L07660 [1,0,1,0,0,0|2,0,0]=4 80 B6R0.1 CCC\C(=N\O)\N H50888 [1,0,1,0,0,0|2,0,0]=4 81 B6R1.2 CC1=CC=CC1 H27241 [2,0,0,0,0,0|2,0,0]=4 82 B6R1.2 CC1=CCC=C1 H27464 [2,0,0,0,0,0|2,0,0]=4 83 B6R1.2 Cc1[nH]ccn1 A17063 [2,0,0,0,0,0|2,0,0]=4 84 B6R1.2 Cc1[nH]nnn1 H60248 [2,0,0,0,0,0|2,0,0]=4 85 B6R1.2 Cc1c[nH]cn1 B24139 [2,0,0,0,0,0|0,0,2]=4 86 B6R1.2 Cc1c[nH]cn1 L20184 [2,0,0,0,0,0|0,0,2]=4 87 B6R1.2 Cc1c[nH]nc1 A18083 [2,0,0,0,0,0|2,0,0]=4 88 B6R1.2 Cc1ccco1 B23692 [2,0,0,0,0,0|2,0,0]=4 89 B6R1.2 Cc1cccs1 A12736 [2,0,0,0,0,0|2,0,0]=4 90 B6R1.2 Cc1ccsc1 A13394 [2,0,0,0,0,0|2,0,0]=4 91 B6R1.2 Cc1cncs1 L15879 [2,0,0,0,0,0|1,0,0]=3 92 B6R1.2 Cc1cscn1 A15428 [2,0,0,0,0,0|1,0,1]=4 93 B6R1.2 Cn1ccnc1 A12575 [2,0,0,0,0,0|2,0,0]=4 94 B6R1.2 Cn1cncn1 L18337 [2,0,0,0,0,0|1,0,1]=4 95 B6R1.2 c1([nH]nnn1)N B24018 [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 c1c(cn[nH]1)N H28921 [2,0,0,0,0,0|2,0,0]=4 97 B6R1.2 c1c(scn1)Br H55387 [2,0,0,0,0,0|2,0,0]=4 98 B6R1.2 c1cnc([nH]1)N H25999 [2,0,0,0,0,0|2,0,0]=4 99 B6R1.2 c1nnc(s1)N L01244 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.1 CCc1[nH]cc(n1)C A15798 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.1 CCc1cc(n[nH]1)N H50782 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.1 CCc1cc(n[nH]1)N H51026 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.1 CCc1ccc(s1)C B22640 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.1 CCc1nnc(s1)N L06915 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.1 Cc1nnc(o1)CN H50162 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [1,1,0,0,0,0|1,0,1]=4 107 B8R1.7 CC(C)c1[nH]ccn1 A13307 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.7 CC(C1=CCC=C1)O L19681 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.7 CC(c1cccs1)N H26052 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.7 C[C@H](c1cccs1)O H26936 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.7 c1cc([nH]c1)C(=S)N H58042 [1,1,0,0,0,0|1,0,1]=4 114 B8R1.11 CCc1c[nH]nc1N H63199 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.11 Cc1c(ocn1)CO H52399 [1,1,0,0,0,0|2,0,0]=4 116 B8R1.11 Cc1c(scn1)CO H61900 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.11 Cc1ccsc1CN L18094 [1,1,0,0,0,0|2,0,0]=4 118 B8R1.11 Cn1cncc1C=O H27338 [1,1,0,0,0,0|1,0,1]=4 119 B8R1.11 c1csc(c1CN)Br H66245 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.1 CCCc1cnc(nc1)Cl H27409 [0,1,0,0,0,1|1,0,1]=4 121 B10R1.1 CCCc1cnc(nc1)S H27239 [0,1,0,0,0,1|1,0,1]=4 122 B10R1.1 c1cc(ccc1CCN)Br H63706 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.1 c1cc(ccc1CCN)Cl H63081 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.1 c1cc(ccc1CCN)F H61791 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.1 c1cc(ccc1CCN)N L15782 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.1 c1cc(ccc1CCN)O A12220 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.4 CCCc1c(nccn1)C B22013 [0,1,0,0,0,1|1,0,1]=4 128 B10R1.4 Cc1ccccc1CCN H28320 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.10 c1cc(cc(c1)F)CCN H64762 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.15 CC(CN)c1ccccc1 H36338 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.15 c1ccc(cc1)C(CN)O H63932 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.17 CCNCc1cccnc1 H51120 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.17 CCNCc1ccncc1 L13714 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.17 CNCCc1ccccn1 H50190 [0,1,0,0,0,1|1,0,1]=4 138 B10R1.17 c1ccc(cc1)CCCN L03023 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.17 c1ccc(cc1)NCCN L03786 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.17 c1ccc(cc1)OCCN A12225 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.18 CC(C)Cc1cccnc1 B22080 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.18 CC(C)Cc1cnccn1 A10245 [0,1,0,0,0,1|1,0,1]=4 143 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [0,1,0,0,0,1|1,0,1]=4 144 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [0,1,0,0,0,1|1,0,1]=4 145 B10R1.18 c1cnccc1CC(=O)N B24734 [0,1,0,0,0,1|1,0,1]=4 146 B10R1.130 Cc1c(sc(n1)S)CCO H61668 [0,2,0,0,0,0|2,0,0]=4 147 B8R1.2 c1cc(cnc1)CN B23634 [0,0,1,1,0,0|1,0,1]=4 148 B8R1.2 c1cnccc1CN L06345 [0,0,1,1,0,0|1,0,1]=4 149 B8R1.2 c1cncnc1CN H32582 [0,0,1,1,0,0|0,0,2]=4 150 B8R1.5 c1cc(c(nc1)N)N A14618 [0,0,1,1,0,0|0,0,2]=4 151 B8R1.4 C1CNC(=O)NC1=O L01918 [0,0,1,1,0,0|2,0,0]=4 152 B10R2.7 c1cc2c(nc1)CCC2 H25896 [0,0,0,1,0,1|2,0,0]=4 153 B10R2.7 c1cc2c(nc1)NCC2 H64551 [0,0,0,1,0,1|1,0,0]=3 154 B10R2.7 c1ccc2c(c1)CCN2 A11000 [0,0,0,1,0,1|2,0,0]=4