0 B11R1.23 CCC(=O)N1CCCC(C1)C CSC000158584 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.23 COC(=O)C1CCCC(C1)C CSC012174915 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.23 COC(=O)c1cccc(c1)C CSC000149472 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.23 COC(=O)c1cccc(n1)C CSC000741576 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.23 COC(=O)c1ccnc(c1)C CSC012001301 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.23 COC(=O)c1ccnc(n1)C CSC000054160 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 COC(=O)C1=CCCCC1 CSC011219632 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.15 COC(=O)C1CCCCC1 CSC000148678 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.15 COC(=O)C1CCCCO1 CSC011625642 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.15 COC(=O)C1CCCOC1 CSC011744426 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.15 COC(=O)C1COCCO1 CSC011294760 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.15 COC(=O)N1CCCCC1 CSC000235962 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.113 CC1CCCN(C1)C(=O)C CSC000158579 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.17 CCNC(=O)C1CN(CCO1)C CSC015379595 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.17 COCC(=O)N1CCCC(C1)C CSC000158593 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.225 CN(C)C(=O)C1CN(CCO1)C CSC015299113 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.367 COC(=O)c1ccc(=O)n(c1)C CSC000054066 [0,1,0,0,0,0|0,0,3]=4 17 B12R1.367 COC(=O)c1ccc(=O)n(n1)C CSC011315517 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.435 CCN1CCOC(C1)C(=O)NC CSC015314913 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.55 CCC(=O)NCCCN(C)C CSC000159970 [0,0,1,0,0,0|2,0,1]=4 20 B12R2.1596 COC(=O)C1CC2CCC1C2 CSC000222203 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.14 COC(=O)C1CCC(C1)C CSC010443940 [0,0,0,0,1,0|1,0,1]=3 22 B10R1.14 COC(=O)c1ccc(o1)C CSC000151062 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.14 COC(=O)c1ccc(s1)C CSC000150765 [0,0,0,0,1,0|2,0,1]=4 24 B10R1.14 COC(=O)c1ccn(n1)C CSC000698609 [0,0,0,0,1,0|1,0,1]=3 25 B10R1.14 COC(=O)c1cn(cn1)C CSC000752664 [0,0,0,0,1,0|1,0,2]=4 26 B10R1.14 COC(=O)c1cnn(n1)C CSC012184621 [0,0,0,0,1,0|2,0,0]=3 27 B10R1.14 COC(=O)c1coc(c1)C CSC012017277 [0,0,0,0,1,0|2,0,1]=4 28 B10R1.14 COC(=O)c1coc(n1)C CSC000067300 [0,0,0,0,1,0|3,0,0]=4 29 B10R1.149 CNC(=O)C1CCCN1C CSC000054904 [0,0,0,0,1,0|1,0,2]=4 30 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [0,0,0,0,1,0|1,0,2]=4 31 B10R1.149 COC(=O)c1ccoc1C CSC000198963 [0,0,0,0,1,0|2,0,1]=4 32 B10R1.149 COC(=O)c1ccsc1C CSC012003538 [0,0,0,0,1,0|2,0,1]=4 33 B10R1.149 COC(=O)c1cn[nH]c1C CSC011998119 [0,0,0,0,1,0|3,0,0]=4 34 B10R1.149 COC(=O)c1cnnn1C CSC012184884 [0,0,0,0,1,0|2,0,0]=3 35 B10R1.149 COC(=O)c1cocc1C CSC009857685 [0,0,0,0,1,0|2,0,1]=4 36 B10R1.149 COC(=O)c1csnc1C CSC000106640 [0,0,0,0,1,0|3,0,0]=4 37 B12R1.50 COC(=O)CN1CCCC(C1)C CSC000224321 [0,0,0,0,0,1|2,0,1]=4 38 B12R1.1658 CCC(=O)N1CCCN(CC1)C CSC000161551 [0,0,0,0,0,1|2,0,1]=4 39 B12R1.1658 CNC(=O)N1CCCN(CC1)C CSC011191371 [0,0,0,0,0,1|2,0,1]=4 40 B9R0.8 COC(=O)N(C)CCCN CSC000739217 [1,0,1,0,0,0|1,0,1]=4 41 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [1,0,1,0,0,0|1,0,1]=4 42 B9R0.55 CN(C)CCCNC(=O)C CSC000159965 [1,0,1,0,0,0|1,0,1]=4 43 B9R0.47 CNCCCN(C)C(=O)C CSC012025734 [1,0,1,0,0,0|1,0,1]=4 44 B11R0.145 CNC(=O)C(=O)NCCN(C)C CSC016346673 [0,1,1,0,0,0|2,0,0]=4 45 B11R0.176 COCC(=O)NCCCN(C)C CSC000159979 [0,1,1,0,0,0|1,0,1]=4 46 B11R0.70 COCCN(C)CCC(=O)OC CSC011397890 [0,1,1,0,0,0|0,0,2]=4 47 B11R1.15 CCNC(=O)C1CCN(C1)C CSC015427873 [0,1,0,0,1,0|1,0,1]=4 48 B11R1.15 CCOC(=O)c1ccn(n1)C CSC011997104 [0,1,0,0,1,0|1,0,1]=4 49 B11R1.15 CCOC(=O)c1cnn(c1)C CSC000725471 [0,1,0,0,1,0|1,0,1]=4 50 B11R1.44 CCn1ccc(n1)C(=O)OC CSC000092671 [0,1,0,0,1,0|1,0,1]=4 51 B11R1.225 COC(=O)c1cn(nc1C)C CSC011990797 [0,1,0,0,1,0|1,0,1]=4 52 B11R1.225 COC(=O)c1nn(cc1Br)C CSC009813075 [0,1,0,0,1,0|1,0,1]=4 53 B11R1.225 COC(=O)c1nn(cc1Cl)C CSC000082617 [0,1,0,0,1,0|1,0,1]=4 54 B11R1.225 COC(=O)c1nn(cc1I)C CSC010124786 [0,1,0,0,1,0|1,0,1]=4 55 B11R1.226 COC(=O)C1CN(C(=O)C1)C CSC000696109 [0,1,0,0,1,0|0,0,2]=4 56 B11R1.226 COC(=O)c1cc(n(n1)C)Br CSC010367948 [0,1,0,0,1,0|1,0,1]=4 57 B11R1.226 COC(=O)c1cc(n(n1)C)C CSC011435826 [0,1,0,0,1,0|1,0,1]=4 58 B11R1.314 CN(C)C(=O)C1CCN(C1)C CSC016050356 [0,1,0,0,1,0|1,0,1]=4 59 B11R1.865 COC(=O)C1CCN(C1=O)C CSC010883586 [0,1,0,0,1,0|0,0,2]=4 60 B11R1.865 COC(=O)c1cnn(c1C)C CSC011213188 [0,1,0,0,1,0|1,0,1]=4 61 B11R1.866 COC(=O)C1CCC(C1)(C)C CSC015445278 [0,1,0,0,1,0|1,0,1]=4 62 B11R1.59 CCn1nccc1C(=O)OC CSC012185918 [0,1,0,0,1,0|1,0,1]=4 63 B11R1.199 CCOC(=O)c1cccn1C CSC000170828 [0,1,0,0,1,0|0,0,2]=4 64 B11R1.199 CCOC(=O)c1ccnn1C CSC011581699 [0,1,0,0,1,0|1,0,1]=4 65 B11R1.875 COC(=O)c1c(cnn1C)Br CSC011203551 [0,1,0,0,1,0|1,0,1]=4 66 B11R1.875 COC(=O)c1c(cnn1C)Cl CSC011203424 [0,1,0,0,1,0|1,0,1]=4 67 B11R1.875 COC(=O)c1c(cnn1C)I CSC010000105 [0,1,0,0,1,0|1,0,1]=4 68 B13R1.1463 COCC(=O)N1CCCN(CC1)C CSC000161556 [0,1,0,0,0,1|1,0,1]=4 69 B13R1.543 COC(=O)C1CCCN(C1)C(=O)C CSC000240869 [0,2,0,0,0,0|0,0,2]=4 70 B13R2.5190 CC1CCc2c(sc(=O)n2C)C1 CSC015236301 [0,0,0,1,0,1|2,0,0]=4 71 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [1,0,0,0,1,0|1,0,1]=4 72 B11R1.40 COC(=O)C=C1CCCCC1 CSC011528868 [1,0,0,0,0,1|1,0,1]=4