0 B10R1.21 CCCCSc1nnc[nH]1 CSC000018370 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.21 CCCNCc1cccs1 CSC000186944 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.21 CCCNCc1ccsc1 CSC000201670 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.21 OCCNCc1ccco1 CSC000200452 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.21 OCCNCc1cccs1 CSC000200436 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.21 OCCNCc1cncs1 CSC011744557 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.12 CCNCc1cccs1 CSC000186918 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.12 CCNCc1ccsc1 CSC000201226 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.12 CCSCc1ccco1 CSC000028914 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.12 OCCSc1cccs1 CSC011305907 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.4 CCCCCSc1nnc[nH]1 CSC000043655 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.4 CCCCNCc1ccco1 CSC000200681 [0,1,0,0,0,0|0,1,0]=2 12 B11R1.4 CCCCNCc1cccs1 CSC000200673 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.4 CCCCNCc1ccsc1 CSC000200702 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.4 COCCNCc1ccsc1 CSC000200155 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.4 COCCNCc1nccs1 CSC011447500 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.4 OCCCNCc1ccco1 CSC000200620 [0,1,0,0,0,0|1,1,0]=3 17 B11R1.4 OCCCNCc1cccs1 CSC000187002 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.4 OCCCNCc1ccsc1 CSC000200639 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.25 CCC(=O)NCc1ccco1 CSC000157649 [0,1,0,0,0,0|1,1,1]=4 20 B11R1.25 CCC(C)NCc1ccco1 CSC000199867 [0,1,0,0,0,0|1,1,0]=3 21 B11R1.25 CCC(C)NCc1cccs1 CSC000187011 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.25 CCC(C)NCc1ccsc1 CSC000199887 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.25 CNC(=O)NCc1cccs1 CSC000233839 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.27 CCCCSc1nnc(s1)N CSC000188649 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.27 CCCNCc1cc(cs1)Br CSC000201691 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.27 CCCNCc1ccc(o1)Br CSC000201683 [0,1,0,0,0,0|1,1,0]=3 27 B11R1.27 CCCNCc1ccc(o1)C CSC000201666 [0,1,0,0,0,0|1,1,0]=3 28 B11R1.27 CCCNCc1ccc(s1)C CSC000186950 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.27 Cc1ccc(o1)CNCCO CSC000186668 [0,1,0,0,0,0|2,1,0]=4 30 B11R1.27 Cc1ccc(s1)CNCCO CSC000186996 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.27 OCCNCc1ccc(o1)Br CSC000200515 [0,1,0,0,0,0|2,1,0]=4 32 B11R1.29 CC(NCCN)c1ccco1 CSC011203454 [0,1,0,0,0,0|2,1,0]=4 33 B11R1.29 CC(NCCO)c1nccs1 CSC012004386 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.29 CCCNC(=O)c1ccco1 CSC000161707 [0,1,0,0,0,0|1,1,1]=4 35 B11R1.29 CCCNC(=O)c1cccs1 CSC000161765 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.29 CCCOC(=O)c1ccco1 CSC000169940 [0,1,0,0,0,0|1,1,1]=4 37 B11R1.29 OCCNC(=O)c1cccs1 CSC000158953 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.30 CCNC(=O)Cc1cccs1 CSC000160099 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.30 CCOC(=O)Cc1cccs1 CSC000172993 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.30 CN(CCO)Cc1ccco1 CSC011309430 [0,1,0,0,0,0|2,1,0]=4 41 B11R1.30 CN(CCO)Cc1cncs1 CSC012662799 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.172 CC(C)CNCc1ccco1 CSC000200082 [0,1,0,0,0,0|1,1,0]=3 43 B11R1.172 CC(C)CNCc1cccs1 CSC000187049 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.172 CC(C)CNCc1ccsc1 CSC000201423 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.172 CC(C)CNCc1nccs1 CSC011381110 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.172 CC(O)CNCc1ccco1 CSC000202024 [0,1,0,0,0,0|1,1,0]=3 47 B11R1.172 CC(O)CNCc1cccs1 CSC000186852 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.172 CC(O)CNCc1ccsc1 CSC000202043 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.180 CCCNCc1cccn1C CSC000215833 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.180 CCCNCc1sccc1C CSC000189075 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.180 Cc1ccsc1CNCCO CSC000189083 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.180 Cn1cccc1CNCCO CSC000215827 [0,1,0,0,0,0|3,0,0]=4 53 B11R2.385 C(NC1CC1)c2cccs2 CSC000201566 [0,0,0,1,0,0|1,0,0]=2 54 B11R2.385 C(NC1CC1)c2ccsc2 CSC000201601 [0,0,0,1,0,0|3,0,0]=4 55 B11R2.385 C(NC1CC1)c2cncs2 CSC011446948 [0,0,0,1,0,0|2,0,0]=3 56 B11R2.385 C(NC1CC1)c2nccs2 CSC011697626 [0,0,0,1,0,0|2,0,0]=3 57 B11R1.28 CCCCNc1ccccc1 CSC000211623 [0,0,0,0,0,1|2,0,0]=3 58 B11R1.28 CCCCNc1ccccn1 CSC000156416 [0,0,0,0,0,1|2,0,0]=3 59 B11R1.28 CCCCOc1ccccc1 CSC011212283 [0,0,0,0,0,1|2,0,0]=3 60 B11R1.28 CCCCSc1ncccn1 CSC000002571 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.28 CCCNCc1ccccn1 CSC000201641 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.28 CCCNCc1cccnc1 CSC000180834 [0,0,0,0,0,1|2,0,0]=3 63 B11R1.28 CCCNCc1ccncc1 CSC000180873 [0,0,0,0,0,1|2,0,0]=3 64 B11R1.28 CCCSCc1ccccc1 CSC000006446 [0,0,0,0,0,1|2,0,0]=3 65 B11R1.28 COCCOc1ccccc1 CSC000757042 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.28 COCCSc1ccccc1 CSC025761232 [0,0,0,0,0,1|3,0,0]=4 67 B11R1.28 COCCSc1ccccn1 CSC000024487 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.28 CSCCCc1ccccc1 CSC000051364 [0,0,0,0,0,1|2,0,0]=3 69 B11R1.28 CSCCOc1ccccc1 CSC000148400 [0,0,0,0,0,1|3,0,0]=4 70 B11R1.28 OCCCOc1ccccc1 CSC011215863 [0,0,0,0,0,1|3,0,0]=4 71 B11R1.28 OCCNCc1ccccc1 CSC000180844 [0,0,0,0,0,1|3,0,0]=4 72 B11R1.28 OCCNCc1ccccn1 CSC000200435 [0,0,0,0,0,1|3,0,0]=4 73 B11R1.28 OCCNCc1ccncc1 CSC000200482 [0,0,0,0,0,1|3,0,0]=4 74 B11R1.28 OCCSCc1ccccc1 CSC011205989 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.8 CCSc1cccs1 CSC009829625 [2,0,0,0,0,0|1,0,0]=3 76 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,1,1,0,0,0|0,1,1]=4 77 B10R1.11 CCNC(=O)c1cccs1 CSC000160180 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.16 CCCCn1cc(cn1)Br CSC011400202 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.16 CCCCn1cc(cn1)I CSC012073163 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.16 CCNCc1cc(cs1)Br CSC000201283 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.16 CCNCc1ccc(s1)C CSC000189073 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.16 CCNCc1ccc(s1)Cl CSC000185262 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.16 CCNCc1nc(cs1)C CSC011401589 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.27 CNC(=O)Cc1cccs1 CSC000159811 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.27 COC(=O)Cc1cccs1 CSC000173319 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.29 CCNCc1sccc1C CSC000186935 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.66 CC(=O)NCc1cccs1 CSC000154743 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.66 CC(C)NCc1nccs1 CSC011447379 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.66 CC(C)SCc1ccco1 CSC000028915 [1,1,0,0,0,0|1,1,0]=4 91 B12R1.1 CCCCOc1ccc(cc1)Br CSC011212269 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.1 CCCCOc1ccc(cc1)C CSC011212278 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.1 CCCCOc1ccc(cc1)Cl CSC000237964 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.1 CCCCOc1ccc(cc1)I CSC000230682 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.1 CCCCSc1ccc(cc1)C CSC000015701 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.1 CCCNCc1ccc(cc1)Br CSC000186942 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.1 CCCNCc1ccc(cc1)C CSC000186941 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.1 CCCNCc1ccc(cc1)Cl CSC000180872 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [0,1,0,0,0,1|1,0,0]=3 100 B12R1.8 CCCCCSc1ccccc1 CSC000048317 [0,1,0,0,0,1|1,0,0]=3 101 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.8 CCCCNCc1ccccn1 CSC000200672 [0,1,0,0,0,1|1,0,0]=3 103 B12R1.8 CCCCNCc1cccnc1 CSC000200674 [0,1,0,0,0,1|1,0,0]=3 104 B12R1.8 CCCCNCc1ccncc1 CSC000200698 [0,1,0,0,0,1|1,0,0]=3 105 B12R1.8 CCOCCSc1ccccn1 CSC000006452 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.8 CCSCCCc1ccccc1 CSC000053059 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.8 COCCNCc1ccncc1 CSC000200151 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.8 OCCCNCc1ccccn1 CSC000200612 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.27 CCC(N)CNc1ccccn1 CSC011915201 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.28 CCCCNc1cccc(c1)C CSC000219676 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.28 CCCCOc1cccc(c1)Br CSC011212284 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.28 CCCNCc1cccc(c1)Br CSC000187640 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.28 CCCNCc1cccc(c1)C CSC000196480 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.28 CCCNCc1cccc(c1)Cl CSC000196467 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.28 CCCNCc1cccc(c1)F CSC000196477 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.252 CC(C)CNCc1ccccn1 CSC000200742 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.252 CC(C)CNCc1cccnc1 CSC000180878 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.252 CC(C)CNCc1ccncc1 CSC000187584 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.252 CC(C)NCCc1ccccc1 CSC000200190 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.252 CC(O)CNCc1cccnc1 CSC000180864 [0,1,0,0,0,1|2,0,0]=4 127 B12R1.252 CC(O)CNCc1ccncc1 CSC000186853 [0,1,0,0,0,1|2,0,0]=4 128 B12R1.267 CCCCOc1ccccc1C CSC011212280 [0,1,0,0,0,1|2,0,0]=4 129 B12R1.267 CCCNCc1ccccc1C CSC000196471 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.267 CCCNCc1ccccc1Cl CSC000196458 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.7 CCCCCSc1nnc(s1)N CSC011226786 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.7 CCCCCSc1nnc(s1)N CSC011226786 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.7 CCCCNCc1cc(cs1)Br CSC000200721 [0,2,0,0,0,0|0,0,0]=2 134 B12R1.7 CCCCNCc1cc(cs1)Cl CSC012567566 [0,2,0,0,0,0|0,0,0]=2 135 B12R1.7 CCCCNCc1ccc(o1)Br CSC000200717 [0,2,0,0,0,0|0,1,0]=3 136 B12R1.7 CCCCNCc1ccc(o1)C CSC000200697 [0,2,0,0,0,0|0,1,0]=3 137 B12R1.7 CCCCNCc1ccc(s1)C CSC000200708 [0,2,0,0,0,0|0,0,0]=2 138 B12R1.7 CCCCNCc1ccc(s1)Cl CSC000224965 [0,2,0,0,0,0|0,0,0]=2 139 B12R1.7 CNCCNCc1cc(cs1)Br CSC011700153 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.7 CNCCNCc1ccc(s1)Br CSC012055149 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.7 CNCCNCc1ccc(s1)Cl CSC011700148 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.7 COCCNCc1cc(cs1)Cl CSC012567553 [0,2,0,0,0,0|1,0,0]=3 143 B12R1.7 COCCNCc1ccc(o1)Br CSC000200170 [0,2,0,0,0,0|1,1,0]=4 144 B12R1.7 COCCNCc1ccc(s1)C CSC000200161 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.7 COCCNCc1ccc(s1)Cl CSC000223817 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.7 Cc1ccc(o1)CNCCCO CSC000200636 [0,2,0,0,0,0|1,1,0]=4 147 B12R1.7 Cc1ccc(s1)CNCCCO CSC000187596 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.7 OCCCNCc1cc(cs1)Br CSC000200656 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.7 OCCCNCc1cc(cs1)Cl CSC012567602 [0,2,0,0,0,0|1,0,0]=3 150 B12R1.7 OCCCNCc1ccc(o1)Br CSC000200652 [0,2,0,0,0,0|1,1,0]=4 151 B12R1.7 OCCCNCc1ccc(s1)Cl CSC000224903 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.35 CCCCNC(=O)c1ccco1 CSC000159049 [0,2,0,0,0,0|0,1,1]=4 153 B12R1.35 CCCCNC(=O)c1cccs1 CSC000159062 [0,2,0,0,0,0|0,0,1]=3 154 B12R1.35 COCCNC(=O)c1cccs1 CSC000157858 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.35 OCCCNC(=O)c1cccs1 CSC000191963 [0,2,0,0,0,0|1,0,1]=4 156 B12R1.37 CCCCCNCc1ccco1 CSC000199926 [0,2,0,0,0,0|0,1,0]=3 157 B12R1.37 CCCCCNCc1cccs1 CSC000186957 [0,2,0,0,0,0|0,0,0]=2 158 B12R1.37 CCCCCNCc1ccsc1 CSC000199941 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.37 CNCCCNCc1cccs1 CSC000215878 [0,2,0,0,0,0|0,0,0]=2 160 B12R1.37 CNCCCNCc1ccsc1 CSC000216245 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.37 COCCCNCc1ccco1 CSC000200569 [0,2,0,0,0,0|0,1,0]=3 162 B12R1.37 COCCCNCc1cccs1 CSC000200563 [0,2,0,0,0,0|0,0,0]=2 163 B12R1.37 COCCCNCc1ccsc1 CSC000200587 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.37 CSCCCNCc1ccsc1 CSC011832304 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.37 CSCCCNCc1cscn1 CSC011930459 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.37 OCCCCNCc1ccco1 CSC011521240 [0,2,0,0,0,0|0,1,0]=3 167 B12R1.37 OCCCCNCc1cccs1 CSC000186801 [0,2,0,0,0,0|0,0,0]=2 168 B12R1.37 OCCCCNCc1ccsc1 CSC011832343 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.51 CCCC(=O)NCc1ccco1 CSC000157646 [0,2,0,0,0,0|0,1,1]=4 170 B12R1.51 CCOC(=O)CCc1ccco1 CSC011212575 [0,2,0,0,0,0|0,1,1]=4 171 B12R1.51 CCOC(=O)CSc1cccs1 CSC011243805 [0,2,0,0,0,0|1,0,1]=4 172 B12R1.53 CCCNC(=O)Cc1cccs1 CSC000161705 [0,2,0,0,0,0|0,0,1]=3 173 B12R1.53 OCCNC(=O)Cc1cccs1 CSC000158875 [0,2,0,0,0,0|1,0,1]=4 174 B12R1.255 CC(C)CCNCc1ccco1 CSC000200831 [0,2,0,0,0,0|0,1,0]=3 175 B12R1.255 CC(C)CCNCc1cccs1 CSC000200825 [0,2,0,0,0,0|0,0,0]=2 176 B12R1.255 CC(C)CCNCc1ccsc1 CSC000200849 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.372 CCCCNCc1cccn1C CSC000215829 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.372 CCCCNCc1sccc1Br CSC011541509 [0,2,0,0,0,0|0,0,0]=2 179 B12R1.372 CCCCNCc1sccc1C CSC000200699 [0,2,0,0,0,0|0,0,0]=2 180 B12R1.372 CNCCNCc1sccc1Br CSC012759244 [0,2,0,0,0,0|1,0,0]=3 181 B12R1.372 CNCCNCc1sccc1Cl CSC013333270 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.372 COCCNCc1cccn1C CSC000215913 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.372 COCCNCc1sccc1C CSC000200152 [0,2,0,0,0,0|1,0,0]=3 184 B12R1.372 Cc1ccsc1CNCCCO CSC000187024 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.477 CSC(C)CNCc1cccs1 CSC011705980 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.477 OCC(O)CSCc1nccs1 CSC012728625 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.15 CCC(C)NC(=O)c1cccs1 CSC000157944 [0,2,0,0,0,0|1,0,1]=4 188 B12R1.26 CC(CO)NCc1ccc(s1)Cl CSC011303919 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.26 CCC(C)NCc1cc(cs1)Br CSC000199905 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.26 CCC(C)NCc1cc(cs1)Cl CSC012567554 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.26 CCC(C)NCc1ccc(o1)Br CSC000199901 [0,2,0,0,0,0|1,1,0]=4 192 B12R1.26 CCC(C)NCc1ccc(o1)C CSC000199884 [0,2,0,0,0,0|1,1,0]=4 193 B12R1.26 CCC(C)NCc1ccc(s1)C CSC000189193 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.26 CCC(C)NCc1ccc(s1)Cl CSC000223448 [0,2,0,0,0,0|1,0,0]=3 195 B12R1.26 C[C@H](CN)NCc1ccc(s1)Br CSC013510081 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.26 C[C@H](CN)NCc1ccc(s1)Cl CSC013510077 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.196 CC(C)(CO)NCc1cccs1 CSC000186870 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.196 CCC(C)(C)NCc1ccco1 CSC000737464 [0,2,0,0,0,0|1,1,0]=4 199 B12R1.196 CCC(C)(C)NCc1cccs1 CSC000737463 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.196 CCS(=O)(=O)NCc1cccs1 CSC000180766 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.297 CCC(CC)NCc1ccco1 CSC000201718 [0,2,0,0,0,0|1,1,0]=4 202 B12R1.297 CCC(CO)NCc1ccco1 CSC000200879 [0,2,0,0,0,0|1,1,0]=4 203 B12R1.297 CCC(CO)NCc1cccs1 CSC000186814 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.353 CCC(C)NCc1cccn1C CSC000215836 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.353 CCC(C)NCc1sccc1C CSC000187017 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.353 C[C@H](CN)NCc1sccc1Br CSC013509996 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.353 C[C@H](CN)NCc1sccc1Cl CSC013510053 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.29 CC(NCCN)c1cc(cs1)Br CSC014222237 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.29 CC(NCCN)c1ccc(s1)Br CSC011393364 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.29 CC(NCCN)c1ccc(s1)Cl CSC011367530 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.29 CCCNC(=O)c1ccc(s1)Br CSC000152264 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.31 CN(CCN)Cc1cc(cs1)Br CSC011501975 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.31 CN(CCN)Cc1cc(cs1)Cl CSC012567920 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.31 CN(CCN)Cc1ccc(s1)Br CSC011293298 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.31 CN(CCN)Cc1ccc(s1)Cl CSC011293299 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.105 CC(=C)CNCc1ccc(s1)Br CSC011645356 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.105 CC(C)CNCc1cc(cs1)Br CSC000201440 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.105 CC(C)CNCc1cc(cs1)Cl CSC012567555 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.105 CC(C)CNCc1ccc(o1)C CSC000201420 [0,2,0,0,0,0|1,1,0]=4 220 B12R1.105 CC(C)CNCc1ccc(s1)C CSC000186987 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.105 CC(C)CNCc1ccc(s1)Cl CSC000226431 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.105 CC(C)NCCc1ccc(s1)Br CSC011698155 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.105 CC(C)NCCc1ccc(s1)Cl CSC011698154 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.105 CC(O)CNCc1cc(cs1)Br CSC000202060 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.105 CC(O)CNCc1ccc(o1)C CSC000202040 [0,2,0,0,0,0|1,1,0]=4 226 B12R1.105 CC(O)CNCc1ccc(s1)C CSC000186858 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.105 CC(O)CNCc1ccc(s1)Cl CSC000227609 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.54 CC(C)CNC(=O)c1cccs1 CSC000160811 [0,2,0,0,0,0|1,0,1]=4 229 B12R1.54 CC(O)CNC(=O)c1cccs1 CSC000192586 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.99 CCCNS(=O)(=O)c1cccs1 CSC000165448 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.260 CC(C)NC(=O)Cc1cccs1 CSC000157532 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.318 CN(CCN)Cc1sccc1Br CSC011541633 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.318 CN(CCN)Cc1sccc1C CSC011728724 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.318 CN(CCN)Cc1sccc1Cl CSC013337632 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.318 CN(CCO)Cc1sccc1C CSC012544293 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.130 CC(C)CNCc1cccn1C CSC000215835 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.130 CC(C)CNCc1sccc1Br CSC011541501 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.130 CC(C)CNCc1sccc1C CSC000186991 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.130 CC(O)CNCc1sccc1C CSC000189055 [0,2,0,0,0,0|1,0,0]=3 240 B12R2.2057 C(NC1CC1)c2ccccc2 CSC000196367 [0,0,0,1,0,1|2,0,0]=4 241 B12R2.2057 C(Nc1ccccc1)C2CC2 CSC011316272 [0,0,0,1,0,1|2,0,0]=4 242 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [0,0,0,1,0,1|2,0,0]=4 243 B12R2.98 C(C1CCOC1)n2cccn2 CSC011926828 [0,1,0,1,0,0|2,0,0]=4 244 B12R2.6 Brc1cnn(c1)C2CCCC2 CSC011400204 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.6 Clc1cnn(c1)C2CCCC2 CSC015199455 [0,1,0,1,0,0|2,0,0]=4 246 B12R2.6 Clc1csc(n1)N2CCCC2 CSC013181461 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.6 Ic1cnn(c1)C2CCCC2 CSC012073187 [0,1,0,1,0,0|2,0,0]=4 248 B12R2.6 Nc1nc(cs1)C2CCCC2 CSC011717751 [0,1,0,1,0,0|2,0,0]=4 249 B12R2.44 CCN1CCc2sccc2C1 CSC046166121 [0,1,0,1,0,0|1,0,0]=3 250 B12R2.2298 Brc1csc(c1)CNC2CC2 CSC000201624 [0,1,0,1,0,0|1,0,0]=3 251 B12R2.2298 Cc1ccc(s1)CNC2CC2 CSC000201607 [0,1,0,1,0,0|1,0,0]=3 252 B12R2.2074 CC(NC1CC1)c2nccs2 CSC000715598 [0,1,0,1,0,0|2,0,0]=4 253 B12R2.2074 O=C(NC1CC1)c2cccs2 CSC000160682 [0,1,0,1,0,0|1,0,1]=4 254 B12R2.466 Cc1ccsc1CNC2CC2 CSC000201597 [0,1,0,1,0,0|1,0,0]=3