0 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 COCSc1ccccc1 CSC000000817 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.17 CSCCc1ccncc1 CSC015420737 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.3 CCN(CC#C)c1ccccc1 CSC000224038 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.30 CC(NCCO)c1ccccn1 CSC000713832 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.30 CN(CCCN)c1ccccc1 CSC000211881 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.34 CCC(=O)N(C)c1ccccc1 CSC000158323 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.34 COC(=O)C(O)c1ccccc1 CSC000150732 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.34 COC(=O)[C@@H](O)c1ccccc1 CSC009815906 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.34 COC(=O)[C@H](O)c1ccccc1 CSC009815907 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.34 NNC(=O)C(O)c1ccccc1 CSC011203043 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.39 CCCS(=O)(=O)c1ccccc1 CSC000031128 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [0,0,0,0,0,1|2,0,1]=4 36 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [0,0,0,0,0,1|2,0,1]=4 37 B12R1.32 CNCC(=O)Nc1ccccc1 CSC000168086 [0,0,0,0,0,1|1,0,1]=3 38 B12R1.32 CNCC(=O)Nc1cccnc1 CSC011225664 [0,0,0,0,0,1|2,0,1]=4 39 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.7 CCS(=O)(=O)c1ccccc1 CSC000031125 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.7 CNS(=O)(=O)c1ccccc1 CSC000165098 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [1,1,0,0,0,0|0,0,0]=2 43 B11R1.22 CNC(=O)c1ccc(cc1)C CSC000159850 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.22 CNC(=O)c1ccc(cc1)Cl CSC000159809 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.22 CNC(=O)c1ccc(cc1)F CSC000159806 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.23 CNC(=O)c1cccc(c1)Br CSC000155082 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.23 CNC(=O)c1cccc(c1)C CSC000159928 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.23 CNC(=O)c1cccc(c1)Cl CSC000159822 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.23 CNC(=O)c1cccc(c1)F CSC000159920 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.23 CNC(=O)c1cccc(c1)I CSC000155084 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.23 CNC(=O)c1cccc(c1)O CSC000159807 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.36 CN(C)C(=O)c1ccccc1 CSC000159565 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.17 CCCOc1ccccc1Br CSC000174042 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.17 CCCOc1ccccc1C CSC000169983 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.17 CCCOc1ccccc1F CSC000173322 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.17 CCCSc1ccccc1Br CSC000230854 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.17 CCNCc1ccccc1F CSC000201217 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.28 CC#CCNc1ccccc1 CSC011641403 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.28 CCCCNc1ccccn1 CSC000156416 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.28 CCCNCc1ccccn1 CSC000201641 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.28 CCCNCc1cccnc1 CSC000180834 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.28 CCCNCc1ccncc1 CSC000180873 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.28 COCCOc1ccccc1 CSC000757042 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.28 COCCSc1ccccc1 CSC025761232 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.28 COCCSc1ccccn1 CSC000024487 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.28 CSCCOc1ccccc1 CSC000148400 [1,1,0,0,0,0|1,0,0]=3 103 B11R1.28 N#CCCSc1ccccc1 CSC000172086 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br CSC000168009 [0,1,0,0,0,1|1,0,1]=4 116 B13R1.19 CNCC(=O)Nc1ccc(cc1)F CSC000168088 [0,1,0,0,0,1|1,0,1]=4 117 B13R1.19 CNCC(=O)Nc1ccc(cc1)I CSC000168082 [0,1,0,0,0,1|1,0,1]=4 118 B13R1.20 CNCC(=O)Nc1cccc(c1)Br CSC000168061 [0,1,0,0,0,1|1,0,1]=4 119 B13R1.20 CNCC(=O)Nc1cccc(c1)C CSC000168055 [0,1,0,0,0,1|1,0,1]=4 120 B13R1.44 CCCCN(C)Cc1ccccc1 CSC000006983 [0,1,0,0,0,1|2,0,0]=4 121 B13R1.44 CNCCC(=O)Nc1ccccc1 CSC011384505 [0,1,0,0,0,1|1,0,1]=4 122 B13R1.135 CC(Oc1ccccc1)C(=O)NN CSC000188956 [0,1,0,0,0,1|1,0,1]=4 123 B13R1.135 CNC(=O)C(C)Oc1ccccc1 CSC000159945 [0,1,0,0,0,1|0,0,1]=3 124 B13R1.135 CNC(=O)[C@@H](N)Cc1ccccc1 CSC011422888 [0,1,0,0,0,1|1,0,1]=4 125 B13R1.135 COC(=O)C(C)Sc1ccccc1 CSC000148442 [0,1,0,0,0,1|1,0,1]=4 126 B13R1.348 CN(C)CC(=O)Nc1ccccc1 CSC000167966 [0,1,0,0,0,1|1,0,1]=4 127 B13R1.470 CNCC(=O)Nc1ccccc1C CSC000168062 [0,1,0,0,0,1|1,0,1]=4 128 B13R1.470 CNCC(=O)Nc1ccccc1F CSC000168117 [0,1,0,0,0,1|1,0,1]=4 129 B13R1.1 CCNC(CC)c1ccc(cc1)Br CSC000231377 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.26 CCC(NCCO)c1ccccc1 CSC000713835 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.532 COC(C(=O)NN)c1ccccc1 CSC011327395 [0,2,0,0,0,0|1,0,1]=4 132 B13R1.713 CC(=O)N[C@@H](CO)c1ccccc1 CSC011995718 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.713 CCC(NC(C)C)c1ccccc1 CSC000712692 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.17 CC(NCCN)c1ccc(cc1)Br CSC011367360 [0,2,0,0,0,0|2,0,0]=4 135 B13R1.17 CC(NCCN)c1ccc(cc1)I CSC011367598 [0,2,0,0,0,0|2,0,0]=4 136 B13R1.17 CC(NCCO)c1ccc(cc1)F CSC000222785 [0,2,0,0,0,0|2,0,0]=4 137 B13R1.17 CNCCN(C)c1ccc(cn1)Br CSC011706682 [0,2,0,0,0,0|2,0,0]=4 138 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Br CSC000153805 [0,2,0,0,0,0|2,0,0]=4 139 B13R1.132 CC(NC(=O)C)c1ccc(cc1)C CSC011237556 [0,2,0,0,0,0|2,0,0]=4 140 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Cl CSC000153794 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.452 CCNC(C)c1ccc(cc1)OC CSC000737452 [0,2,0,0,0,0|2,0,0]=4 142 B13R1.18 CC(NCCN)c1cccc(c1)Br CSC011367362 [0,2,0,0,0,0|2,0,0]=4 143 B13R1.18 CC(NCCO)c1cccc(c1)Cl CSC000713799 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.18 CNCCN(C)c1cncc(c1)Br CSC014501591 [0,2,0,0,0,0|2,0,0]=4 145 B13R1.22 COC(=O)C(C)c1cccc(c1)Br CSC010077029 [0,2,0,0,0,0|1,0,1]=4 146 B13R1.11 CC(NC(=O)CN)c1ccccc1 CSC000168438 [0,2,0,0,0,0|2,0,0]=4 147 B13R1.11 CCC(=O)NC(C)c1ccccc1 CSC000158022 [0,2,0,0,0,0|1,0,1]=4 148 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 CSC011908461 [0,2,0,0,0,0|1,0,1]=4 149 B13R1.11 CCC(=O)OC(C)c1ccccc1 CSC000000838 [0,2,0,0,0,0|1,0,1]=4 150 B13R1.11 CNC(=O)CC(C)c1ccccc1 CSC000002954 [0,2,0,0,0,0|0,0,0]=2 151 B13R1.11 COC(=O)CC(C)c1ccccc1 CSC000000072 [0,2,0,0,0,0|1,0,0]=3 152 B13R1.11 COC(=O)NC(C)c1ccccc1 CSC000235971 [0,2,0,0,0,0|1,0,1]=4 153 B13R1.24 CC(CNCCO)c1ccccc1 CSC000200478 [0,2,0,0,0,0|0,0,0]=2 154 B13R1.24 CC(NCCCO)c1ccccc1 CSC000185500 [0,2,0,0,0,0|1,0,0]=3 155 B13R1.24 CC(NCCCO)c1ccccn1 CSC000189390 [0,2,0,0,0,0|2,0,0]=4 156 B13R1.24 CC(NCCCO)c1cccnc1 CSC000186675 [0,2,0,0,0,0|2,0,0]=4 157 B13R1.24 CCCNCC(C)c1ccccc1 CSC000201663 [0,2,0,0,0,0|0,0,0]=2 158 B13R1.45 CC(C)NCC(C)c1ccccc1 CSC000200219 [0,2,0,0,0,0|0,0,0]=2 159 B13R1.45 CC(C)NCC(O)c1ccccc1 CSC000227977 [0,2,0,0,0,0|1,0,0]=3 160 B13R1.45 CC(CNC(=O)C)c1ccccc1 CSC000154521 [0,2,0,0,0,0|0,0,0]=2 161 B13R1.674 CC(NCCN)c1ccccc1Br CSC011367381 [0,2,0,0,0,0|2,0,0]=4 162 B13R1.674 CNCCN(C)c1ccncc1Br CSC013404672 [0,2,0,0,0,0|2,0,0]=4 163 B13R1.674 CNCCN(C)c1ncccc1Br CSC011706710 [0,2,0,0,0,0|2,0,0]=4 164 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 CSC010273344 [0,2,0,0,0,0|1,0,1]=4 165 B13R1.708 COC(=O)C(C)(C)c1ccccc1 CSC000148643 [0,2,0,0,0,0|1,0,1]=4 166 B13R1.352 C[C@@H](NS(=O)(=O)C)c1ccccc1 CSC011909438 [0,2,0,0,0,0|2,0,0]=4 167 B13R1.464 CCNC(C)c1ccccc1OC CSC000229086 [0,2,0,0,0,0|2,0,0]=4 168 B13R2.26 CCCN1Cc2ccccc2C1 CSC015376979 [0,0,0,1,0,1|2,0,0]=4 169 B13R2.64 C(N1CCCC1)c2ccccc2 CSC000174533 [0,0,0,1,0,1|2,0,0]=4 170 B13R2.64 C1CCC(C1)Nc2ccccn2 CSC000156706 [0,0,0,1,0,1|2,0,0]=4 171 B13R2.64 C1CCC(C1)Oc2ccccc2 CSC000702741 [0,0,0,1,0,1|1,0,0]=3 172 B13R2.64 C1C[C@@H](CN1)Nc2ccccn2 CSC010291599 [0,0,0,1,0,1|1,0,0]=3 173 B13R2.444 CC(Nc1ccccc1)C2CC2 CSC011230787 [0,0,0,1,0,1|1,0,0]=3 174 B13R2.1613 CCN1CCCc2c1cccc2 CSC000014527 [0,1,0,1,0,0|2,0,0]=4 175 B13R1.42 CCCC(C)NCc1ccccc1 CSC000196585 [0,0,0,0,0,2|1,0,0]=3 176 B13R1.42 CCCC(O)CSc1ccccc1 CSC012179918 [0,0,0,0,0,2|2,0,0]=4