0 B9R0.5 CCCCCC(=O)CCC 22454 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.5 CCOC(=O)CCCCBr 00403 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCOC(=O)CNCCN 09645 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.1 CCNC(=O)NCCN 24079 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.6 COC(=O)CCCCBr 26743 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.6 COC(=O)CCCCCl 27779 [1,0,0,0,0,0|1,0,2]=4 6 B10R0.2 CCOC(=O)CC(=O)OCC 14055 [0,1,0,0,0,0|1,0,1]=3 7 B10R0.2 CCOC(=O)OC(=O)OCC 24544 [0,1,0,0,0,0|2,0,0]=3 8 B10R0.2 CCOC(=O)\C=C(/N)OCC 24125 [0,1,0,0,0,0|1,0,0]=2 9 B10R0.19 CCOC(=O)C(N)CCSC 08457 [0,1,0,0,0,0|1,0,2]=4 10 B10R0.19 CCOC(=O)[C@@H](N)CCCN 12090 [0,1,0,0,0,0|1,0,2]=4 11 B10R0.19 CCOC(=O)[C@@H](N)CCSC 03103 [0,1,0,0,0,0|1,0,2]=4 12 B10R0.19 CCOC(=O)[C@H](N)CCSC 03104 [0,1,0,0,0,0|1,0,2]=4 13 B10R1.11 CCNC(=O)[C@@H]1CCCN1 06199 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.11 CCOC(=O)C1=CNN=C1 29434 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.11 CCOC(=O)C1=COC=C1 26941 [0,0,0,1,0,0|1,0,2]=4 16 B10R1.11 CCOC(=O)C1=COC=N1 18190 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.11 CCOC(=O)C1=CSC=N1 17790 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.11 CCOC(=O)C1=NOC=C1 14403 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.11 CCOC(=O)[C@@H]1CCCN1 12100 [0,0,0,1,0,0|1,0,1]=3 20 B10R1.11 CCOC(=O)[C@H]1CCCN1 06622 [0,0,0,1,0,0|1,0,1]=3 21 B7R0.3 COC(=O)CCCBr 27605 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.3 COC(=O)CCCN 31340 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.7 CCOC(=O)C=[N+]=[N-] 31540 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.7 CCOC(=O)CCBr 26742 [2,0,0,0,0,0|1,0,0]=3 25 B7R0.7 CCOC(=O)CCN 06221 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.7 CCOC(=O)CNC 12102 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.7 CCO[PH](=O)OCC 12722 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 C\C=C\C=C\C(=O)O 01526 [2,0,0,0,0,0|0,0,2]=4 29 B9R0.35 CCC[C@H](N)C(=O)OCC 16306 [1,1,0,0,0,0|0,0,1]=3 30 B9R0.35 CCOC(=O)C(=O)OCC 27207 [1,1,0,0,0,0|1,0,0]=3 31 B9R0.35 CCOC(=O)C(Br)CCBr 17964 [1,1,0,0,0,0|1,0,1]=4 32 B9R0.48 CCOC(=O)CCC(C)C 22392 [1,1,0,0,0,0|0,0,1]=3 33 B11R0.62 CCOC(=O)CCC(=O)OCC 27213 [0,2,0,0,0,0|1,0,1]=4 34 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 08898 [0,2,0,0,0,0|0,0,2]=4 35 B11R0.1 CCOC(=O)CC(=O)CC(C)C 17743 [0,2,0,0,0,0|0,0,1]=3 36 B11R0.177 CCOC(=O)C(=O)C(=O)OCC 29977 [0,2,0,0,0,0|1,0,0]=3 37 B11R0.177 CCOC(=O)C(C)C(=O)OCC 22035 [0,2,0,0,0,0|1,0,1]=4 38 B11R0.177 CCOC(=O)C(N)C(=O)OCC 27328 [0,2,0,0,0,0|1,0,1]=4 39 B9R1.11 COC(=O)C1CCCN1 08465 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.11 COC(=O)[C@@H]1CCCN1 03130 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.11 COC(=O)[C@H]1CCCN1 03131 [1,0,0,1,0,0|1,0,1]=4 42 B11R1.16 CCOC(=O)C1CNCCN1 28723 [0,1,0,1,0,0|1,0,1]=4 43 B11R1.16 CCOC(=O)N1CCNCC1 26970 [0,1,0,1,0,0|1,0,1]=4 44 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 23303 [0,1,0,1,0,0|0,0,2]=4 45 B11R1.199 CCOC(=O)C1=C(C)N=CS1 28940 [0,1,0,1,0,0|1,0,1]=4 46 B11R1.199 CCOC(=O)C1=C(C)NC=C1 27907 [0,1,0,1,0,0|0,0,2]=4 47 B11R1.199 CCOC(=O)C1=C(C)NC=N1 24122 [0,1,0,1,0,0|1,0,1]=4 48 B11R1.199 CCOC(=O)C1=C(C)OC=N1 26098 [0,1,0,1,0,0|1,0,1]=4 49 B11R1.199 CCOC(=O)C1=C(C)ON=C1 25766 [0,1,0,1,0,0|1,0,1]=4 50 B11R1.199 CCOC(=O)C1=CON=C1C 17527 [0,1,0,1,0,0|1,0,1]=4 51 B11R1.15 CCOC(=O)C1=CSC(C)=N1 29995 [0,1,0,1,0,0|1,0,1]=4 52 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 06693 [0,1,0,1,0,0|1,0,1]=4