0 B13R2.10 Cc1nnc(o1)c2ccccc2 CSC000011779 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.10 Cc1noc(n1)c2ccccc2 CSC000073341 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,0,1,0,0,0|3,0,0]=4 3 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [0,0,1,0,0,0|1,0,0]=2 4 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,0,1,0,0,0|2,0,1]=4 5 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [0,0,1,0,0,0|3,0,0]=4 6 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [0,0,1,0,0,0|3,0,0]=4 7 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [0,0,1,0,0,0|3,0,0]=4 8 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,0,1,0,0,0|1,1,0]=3 9 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,0,1,0,0,0|2,0,1]=4 10 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,0,1,0,0,0|3,0,0]=4 12 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [0,0,1,0,0,0|1,0,2]=4 13 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,0,1,0,0,0|2,0,0]=3 14 B12R1.30 CCCOC(=O)c1ccccn1 CSC000169884 [0,0,1,0,0,0|1,0,2]=4 15 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.107 CC(C)NC(=O)c1ccccc1 CSC000157549 [0,0,1,0,0,0|1,0,2]=4 17 B12R1.107 CC(C)OC(=O)c1ccccc1 CSC000170135 [0,0,1,0,0,0|0,0,2]=3 18 B12R1.107 CC(C)OC(=O)c1ccccn1 CSC000169883 [0,0,1,0,0,0|1,0,2]=4 19 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [0,0,1,0,0,0|0,1,2]=4 22 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.252 CC(C)CNCc1ccccn1 CSC000200742 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.252 CC(C)CNCc1cccnc1 CSC000180878 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.252 CC(C)CNCc1ccncc1 CSC000187584 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.252 CC(C)NCCc1ccccc1 CSC000200190 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.252 CC(O)CNCc1cccnc1 CSC000180864 [0,0,1,0,0,0|2,0,0]=3 28 B12R1.252 CC(O)CNCc1ccncc1 CSC000186853 [0,0,1,0,0,0|2,0,0]=3 29 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [1,0,1,0,0,0|1,0,0]=3 30 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [1,0,1,0,0,0|1,0,0]=3 31 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.28 CCCNCc1ccccn1 CSC000201641 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.28 CCCNCc1cccnc1 CSC000180834 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.28 CCCNCc1ccncc1 CSC000180873 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,0,1,0,0,0|0,1,0]=3 37 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,0,1,0,0,0|1,0,0]=3 40 B11R1.28 OCCNCc1ccccn1 CSC000200435 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.28 OCCNCc1ccncc1 CSC000200482 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,0,1,0,0,0|0,1,0]=3 43 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,0,1,0,0,0|0,0,2]=4 44 B11R1.91 CC(C)NCc1ccccn1 CSC000200191 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.91 CC(C)NCc1ccncc1 CSC000200223 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [1,0,1,0,0,0|0,1,0]=3 48 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [1,0,1,0,0,0|2,0,0]=4 49 B13R1.1 CCNC(CC)c1ccc(cc1)Br CSC000231377 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.26 CCC(NCCO)c1ccccc1 CSC000713835 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.713 CCC(NC(C)C)c1ccccc1 CSC000712692 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.11 CC(CO)NC(=O)c1ccccc1 CSC011241097 [0,1,1,0,0,0|1,0,1]=4 53 B13R1.11 CCC(C)OC(=O)c1ccccc1 CSC000062829 [0,1,1,0,0,0|1,0,1]=4 54 B13R1.14 CCC(C)NCc1ccc(cc1)Br CSC000187027 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.14 CCC(C)NCc1ccc(cc1)C CSC000189136 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.14 CCC(C)NCc1ccc(cc1)Cl CSC000180880 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.14 CCC(C)NCc1ccc(cc1)F CSC000180881 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.14 C[C@H](CN)NCc1ccc(cc1)Br CSC013509881 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.15 CC(CO)NCc1cccc(c1)Br CSC000714187 [0,1,1,0,0,0|1,0,0]=3 60 B13R1.15 CCC(C)NCc1cccc(c1)Br CSC000187015 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.15 CCC(C)NCc1cccc(c1)C CSC000223451 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.15 CCC(C)NCc1cccc(c1)Cl CSC000215858 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.15 C[C@H](CN)NCc1cccc(c1)Br CSC013509982 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.42 CCCC(C)NCc1ccccc1 CSC000196585 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.254 CC(C)(CO)NCc1ccccc1 CSC000186973 [0,1,1,0,0,0|1,0,0]=3 66 B13R1.254 CC(C)(CO)NCc1cccnc1 CSC000186871 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.254 CC(C)(CO)NCc1ccncc1 CSC000186974 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.254 CCC(C)(C)NCc1ccccc1 CSC011200195 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.351 CC(C)C(C)NCc1ccccc1 CSC000196735 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.417 CCC(CC)NCc1ccccc1 CSC000196522 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.417 CCC(CO)NCc1ccccc1 CSC000180821 [0,1,1,0,0,0|1,0,0]=3 72 B13R1.417 CCC(CO)NCc1ccccn1 CSC000200874 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.417 CCC(CO)NCc1cccnc1 CSC000186815 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.417 CCC(CO)NCc1ccncc1 CSC000180862 [0,1,1,0,0,0|2,0,0]=4 75 B13R1.417 CC[C@@H](CO)NCc1ccccc1 CSC000700121 [0,1,1,0,0,0|1,0,0]=3 76 B13R1.528 CCC(C)NCc1ccccc1Br CSC000223441 [0,1,1,0,0,0|2,0,0]=4 77 B13R1.528 CCC(C)NCc1ccccc1C CSC000215861 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.528 CCC(C)NCc1ccccc1Cl CSC000215857 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.528 CCC(C)NCc1ccccc1F CSC000215860 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.528 C[C@H](CN)NCc1ccccc1Br CSC013509883 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.17 CCCOC(=O)c1ccc(cc1)C CSC000170177 [0,1,1,0,0,0|0,0,2]=4 82 B13R1.17 CCCOC(=O)c1ccc(cc1)F CSC000169908 [0,1,1,0,0,0|0,0,2]=4 83 B13R1.17 CCCOC(=O)c1ccc(cc1)O CSC000169887 [0,1,1,0,0,0|0,0,2]=4 84 B13R1.18 CCCOC(=O)c1cccc(c1)Cl CSC000170060 [0,1,1,0,0,0|0,0,2]=4 85 B13R1.24 CC(NCCCO)c1ccccc1 CSC000185500 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.24 CCCNCC(C)c1ccccc1 CSC000201663 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.45 CC(C)COC(=O)c1ccccc1 CSC000005832 [0,1,1,0,0,0|0,0,2]=4 88 B13R1.45 CC(C)NCC(O)c1ccccc1 CSC000227977 [0,1,1,0,0,0|2,0,0]=4 89 B13R1.47 CCOC(=O)C(O)c1ccccc1 CSC000174076 [0,1,1,0,0,0|2,0,0]=4 90 B13R1.47 CCOC(=O)[C@@H](O)c1ccccc1 CSC009816355 [0,1,1,0,0,0|2,0,0]=4 91 B13R1.47 CCOC(=O)[C@H](O)c1ccccc1 CSC009816354 [0,1,1,0,0,0|2,0,0]=4 92 B13R1.674 CCCOC(=O)c1ccccc1F CSC000170101 [0,1,1,0,0,0|0,0,2]=4 93 B13R1.132 CC(C)OC(=O)c1ccc(cc1)C CSC000170176 [0,1,1,0,0,0|0,0,2]=4 94 B13R1.132 CC(C)OC(=O)c1ccc(cc1)F CSC000169907 [0,1,1,0,0,0|0,0,2]=4 95 B13R1.147 CC(C)OC(=O)c1cccc(c1)Cl CSC000170059 [0,1,1,0,0,0|0,0,2]=4 96 B13R1.147 CC(C)OC(=O)c1cccc(c1)O CSC000169911 [0,1,1,0,0,0|0,0,2]=4 97 B13R1.201 CC(C)OC(=O)c1ccccc1Br CSC000169877 [0,1,1,0,0,0|0,0,2]=4 98 B13R1.201 CC(C)OC(=O)c1ccccc1Cl CSC000169880 [0,1,1,0,0,0|0,0,2]=4 99 B13R1.201 CC(C)OC(=O)c1ccccc1F CSC000170100 [0,1,1,0,0,0|0,0,2]=4 100 B13R1.201 CC(C)OC(=O)c1ccccc1O CSC000169923 [0,1,1,0,0,0|0,0,2]=4 101 B13R1.149 CC(C)CNCc1cccc(c1)Br CSC000186988 [0,1,1,0,0,0|2,0,0]=4 102 B13R1.149 CC(C)CNCc1cccc(c1)Cl CSC000196289 [0,1,1,0,0,0|2,0,0]=4 103 B13R1.149 CC(O)CNCc1cccc(c1)Br CSC000189066 [0,1,1,0,0,0|1,0,0]=3 104 B13R1.149 CC(O)CNCc1cccc(c1)Br CSC000189066 [0,1,1,0,0,0|1,0,0]=3 105 B13R1.149 CC(O)CNCc1cccc(c1)Cl CSC000189391 [0,1,1,0,0,0|1,0,0]=3 106 B13R1.158 CC(C)CNCc1ccccc1C CSC000196292 [0,1,1,0,0,0|2,0,0]=4 107 B13R1.158 CC(C)CNCc1ccccc1Cl CSC000196285 [0,1,1,0,0,0|2,0,0]=4 108 B13R1.158 CC(C)CNCc1ccccc1F CSC000186672 [0,1,1,0,0,0|2,0,0]=4 109 B13R1.158 CC(O)CNCc1ccccc1Br CSC000196636 [0,1,1,0,0,0|1,0,0]=3 110 B13R1.158 CC(O)CNCc1ccccc1C CSC000196629 [0,1,1,0,0,0|1,0,0]=3 111 B13R1.158 CC(O)CNCc1ccccc1Cl CSC000196624 [0,1,1,0,0,0|1,0,0]=3 112 B13R1.158 CC(O)CNCc1ccccc1F CSC000186673 [0,1,1,0,0,0|1,0,0]=3 113 B13R1.513 CC(C)CNCc1ccc(cc1)Br CSC000186981 [0,1,1,0,0,0|2,0,0]=4 114 B13R1.513 CC(C)CNCc1ccc(cc1)C CSC000180877 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.513 CC(C)CNCc1ccc(cc1)Cl CSC000180838 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.513 CC(C)CNCc1ccc(cc1)F CSC000180839 [0,1,1,0,0,0|2,0,0]=4 117 B13R1.513 CC(O)CNCc1ccc(cc1)Br CSC000187449 [0,1,1,0,0,0|1,0,0]=3 118 B13R1.513 CC(O)CNCc1ccc(cc1)Br CSC000187449 [0,1,1,0,0,0|1,0,0]=3 119 B13R1.513 CC(O)CNCc1ccc(cc1)C CSC000188770 [0,1,1,0,0,0|1,0,0]=3 120 B13R1.513 CC(O)CNCc1ccc(cc1)Cl CSC000186849 [0,1,1,0,0,0|1,0,0]=3 121 B13R1.513 CC(O)CNCc1ccc(cc1)F CSC000186854 [0,1,1,0,0,0|1,0,0]=3 122 B13R1.718 CC(CO)CNCc1ccccc1 CSC011493029 [0,1,1,0,0,0|1,0,0]=3 123 B13R1.718 OCC(O)CNCc1ccccc1 CSC000157146 [0,1,1,0,0,0|1,0,0]=3 124 B13R1.3523 CC(C)(O)CNCc1ccccc1 CSC000697163 [0,1,1,0,0,0|1,0,0]=3 125 B13R2.2382 C(NCc1ccccc1)C2CC2 CSC000186374 [0,0,1,1,0,0|2,0,0]=4 126 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,0,1,0,1,0|1,1,0]=4 127 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,0,1,0,1,0|2,0,0]=4 128 B11R1.172 CC(O)CNCc1ccco1 CSC000202024 [0,0,1,0,1,0|2,0,0]=4 129 B11R1.172 CC(O)CNCc1cccs1 CSC000186852 [0,0,1,0,1,0|2,0,0]=4 130 B11R1.172 CC(O)CNCc1ccsc1 CSC000202043 [0,0,1,0,1,0|2,0,0]=4 131 B13R1.337 CC(C)CCNCc1ccccc1 CSC000196072 [0,0,1,0,0,1|2,0,0]=4 132 B13R1.337 CC(C)NCCCc1ccccc1 CSC000200232 [0,0,1,0,0,1|2,0,0]=4 133 B13R2.64 C1CCC(C1)Oc2ccccc2 CSC000702741 [1,0,0,0,0,1|2,0,0]=4