0 B13R1.29 CCCS(=O)(=O)c1ccc(cc1)C CSC000014201 [0,0,1,0,0,0|3,0,0]=4 1 B13R1.149 CC(=O)OCCc1cccc(c1)C CSC009866697 [0,0,1,0,0,0|2,0,1]=4 2 B13R1.149 CC(C)CNCc1cccc(c1)Br CSC000186988 [0,0,1,0,0,0|2,0,0]=3 3 B13R1.149 CC(C)CNCc1cccc(c1)Cl CSC000196289 [0,0,1,0,0,0|2,0,0]=3 4 B13R1.149 CC(O)CNCc1cccc(c1)Br CSC000189066 [0,0,1,0,0,0|3,0,0]=4 5 B13R1.149 CC(O)CNCc1cccc(c1)Br CSC000189066 [0,0,1,0,0,0|3,0,0]=4 6 B13R1.149 CC(O)CNCc1cccc(c1)Cl CSC000189391 [0,0,1,0,0,0|3,0,0]=4 7 B13R1.356 CCOc1cc(ccc1C(=O)C)C CSC000241638 [0,0,1,0,0,0|2,0,1]=4 8 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [1,0,1,0,0,0|2,0,0]=4 9 B12R1.28 CCCCNc1cccc(c1)C CSC000219676 [1,0,1,0,0,0|1,0,0]=3 10 B12R1.28 CCCCOc1cccc(c1)Br CSC011212284 [1,0,1,0,0,0|2,0,0]=4 11 B12R1.28 CCCNCc1cccc(c1)Br CSC000187640 [1,0,1,0,0,0|2,0,0]=4 12 B12R1.28 CCCNCc1cccc(c1)C CSC000196480 [1,0,1,0,0,0|1,0,0]=3 13 B12R1.28 CCCNCc1cccc(c1)Cl CSC000196467 [1,0,1,0,0,0|2,0,0]=4 14 B12R1.28 CCCNCc1cccc(c1)F CSC000196477 [1,0,1,0,0,0|2,0,0]=4 15 B12R1.28 COCCSc1cccc(c1)C CSC000055748 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.28 Cc1cccc(c1)CSCCO CSC011212950 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.28 Cc1cccc(c1)SCCCO CSC011432191 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [1,0,1,0,0,0|1,0,0]=3 19 B12R1.252 CC(C)CNCc1ccccn1 CSC000200742 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.252 CC(C)CNCc1cccnc1 CSC000180878 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.252 CC(C)CNCc1ccncc1 CSC000187584 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.252 CC(C)NCCc1ccccc1 CSC000200190 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.268 CCNc1cc(ccc1OC)C CSC000220794 [1,0,1,0,0,0|2,0,0]=4 24 B14R1.76 CC(C)CCOc1cccc(c1)CO CSC011232713 [0,1,1,0,0,0|1,0,0]=3 25 B14R1.76 COc1cccc(c1)CNCC(C)C CSC000196291 [0,1,1,0,0,0|1,0,0]=3 26 B14R1.76 COc1cccc(c1)CNCC(C)O CSC000196628 [0,1,1,0,0,0|2,0,0]=4 27 B14R1.147 CC(C)(N)CNCc1cccc(c1)Br CSC015073334 [0,1,1,0,0,0|2,0,0]=4 28 B14R1.147 CC(C)(N)CNCc1cccc(c1)Cl CSC015073458 [0,1,1,0,0,0|2,0,0]=4 29 B14R1.149 CC(C)NCC(C)c1cccc(c1)Br CSC012486089 [0,1,1,0,0,0|2,0,0]=4 30 B14R1.154 CC(C)CNCc1cccc(c1Cl)Cl CSC000201406 [0,1,1,0,0,0|2,0,0]=4 31 B14R1.687 CC(C)CNCc1ccc(c(c1)Cl)Cl CSC000196287 [0,1,1,0,0,0|2,0,0]=4 32 B14R1.687 CC(C)NCCc1ccc(c(c1)Br)F CSC011698149 [0,1,1,0,0,0|2,0,0]=4 33 B14R1.6072 CC(C)CNCc1cc(ccc1Br)F CSC011232855 [0,1,1,0,0,0|2,0,0]=4 34 B14R1.6072 CC(C)CNCc1cc(ccc1F)Cl CSC011388432 [0,1,1,0,0,0|2,0,0]=4 35 B14R1.6072 CC(C)NCCc1cc(ccc1F)Br CSC011698152 [0,1,1,0,0,0|2,0,0]=4 36 B14R2.1801 COc1ccc2c(c1)CCCC2=O CSC000211529 [1,1,0,0,0,0|1,0,1]=4 37 B14R2.22 CC1CCN(C1)c2cc(ccn2)C CSC015452535 [0,0,1,1,0,0|2,0,0]=4 38 B14R2.22 CC1CCN(C1)c2cccc(n2)C CSC015452536 [0,0,1,1,0,0|2,0,0]=4 39 B14R2.22 CC1CCN(C1)c2ccnc(c2)C CSC015452537 [0,0,1,1,0,0|2,0,0]=4 40 B14R2.268 CC1CC1NCc2cccc(c2)Br CSC011669061 [0,0,1,1,0,0|2,0,0]=4 41 B12R1.105 CC(C)CNCc1ccc(o1)C CSC000201420 [0,0,1,0,1,0|2,0,0]=4 42 B12R1.105 CC(C)CNCc1ccc(s1)C CSC000186987 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.130 CC(C)CNCc1cccn1C CSC000215835 [0,0,1,0,1,0|2,0,0]=4 44 B12R1.130 CC(C)CNCc1sccc1C CSC000186991 [0,0,1,0,1,0|2,0,0]=4 45 B14R1.148 CC(C)CCNCc1cccc(c1)Br CSC000196079 [0,0,1,0,0,1|1,0,0]=3 46 B14R1.148 CC(C)CCNCc1cccc(c1)Cl CSC000196081 [0,0,1,0,0,1|1,0,0]=3 47 B14R1.148 CC(C)CNCCc1cccc(c1)Cl CSC000202866 [0,0,1,0,0,1|1,0,0]=3 48 B14R1.148 CC(C)NCCCc1cccc(c1)Cl CSC011691588 [0,0,1,0,0,1|1,0,0]=3 49 B14R1.148 CC(C)NCCOc1cccc(c1)Br CSC000223891 [0,0,1,0,0,1|2,0,0]=4 50 B14R1.148 CC(C)NCCOc1cccc(c1)Cl CSC000223892 [0,0,1,0,0,1|2,0,0]=4