0 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(=O)O SC-49168 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O SC-52624 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.686 N[C@@H](CC1=CC=C(Br)C(F)=C1)C(=O)O SC-65541 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.686 N[C@@H](CC1=CC=C(Br)C(F)=C1)C(=O)O SC-65542 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.686 N[C@H](CC1=CC=C(O)C(O)=C1)C(=O)O SC-70884 [0,0,0,0,0,0|0,0,0]=0 5 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 SC-10870 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O SC-10523 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O SC-09927 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O SC-10814 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 SC-46145 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 SC-49726 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.133 O=C([O-])C(=O)CC1=CC=C(O)C=C1 SC-87615 [1,0,0,0,0,0|1,0,2]=4 12 B13R1.133 [C@H](N)(CC1=CC=C(O)C=C1)C(N)=O SC-09966 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O SC-10792 [1,0,0,0,0,0|0,0,0]=1 14 B13R1.511 CC1=C(Cl)C=CC(CCC(=O)O)=C1 SC-30412 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.511 CC1=C(O)C=CC(\C=C\C(=O)O)=C1 SC-41260 [1,0,0,0,0,0|1,0,2]=4 16 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1Br SC-42409 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1Cl SC-42204 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.511 CC1=CC=C(OCC(=O)O)C=C1C SC-58300 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(O)C=C1 SC-41152 [1,0,0,0,0,0|1,0,2]=4 20 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(F)=C1 SC-39213 [1,0,0,0,0,0|1,0,2]=4 21 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(I)=C1 SC-39644 [1,0,0,0,0,0|1,0,2]=4 22 B15R1.8394 N[C@@H](CC1=CC(F)=C(F)C=C1F)C(=O)O SC-21051 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.510 NC(C(=O)O)C1=CC(Cl)=C(O)C=C1 SC-59430 [0,0,0,0,1,0|1,0,0]=2 24 B13R1.510 NC(C(=O)O)C1=CC=C(O)C(Br)=C1 SC-59439 [0,0,0,0,1,0|1,0,0]=2 25 B13R1.510 NC(C(=O)O)C1=CC=C(O)C(O)=C1 SC-59504 [0,0,0,0,1,0|0,0,0]=1 26 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 SC-34731 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SC-18497 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 SC-50222 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.21 N=C(N)CCC1=CC=C(O)C=C1 SC-41086 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SC-25794 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 SC-48863 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SC-46688 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 SC-25724 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SC-65982 [2,0,0,0,0,0|0,0,2]=4 35 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SC-21936 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SC-22789 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SC-24697 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O SC-11174 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O SC-11181 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O SC-11171 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SC-10967 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.49 NC(CO)CC1=CC=C(Br)C=C1 SC-41015 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SC-13098 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.49 NC(CO)CC1=CC=C(F)C=C1 SC-36515 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.49 NC(CO)CC1=CC=C(F)C=C1 SC-41337 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 SC-48755 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.50 NC(CO)CC1=CC=CC(Cl)=C1 SC-52701 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 SC-73698 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 SC-73734 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SC-13620 [2,0,0,0,0,0|0,0,0]=2 51 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SC-28105 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 SC-54326 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SC-50193 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 SC-80962 [2,0,0,0,0,0|0,0,2]=4 55 B12R1.385 CC1=CC=C(CCC=O)C=C1Br SC-42166 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.385 O=CCCC1=CC=C(F)C(Cl)=C1 SC-31403 [2,0,0,0,0,0|2,0,0]=4 57 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 SC-10586 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.536 C=C[C@@H](CC1=CC=C(F)C=C1)C(=O)O SC-31413 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.536 C=C[C@H](CC1=CC=C(F)C=C1)C(=O)O SC-31479 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.6049 NC(CC1=C(Cl)C=C(Cl)C=C1)C(=O)O SC-10602 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.6049 NC(CC1=CC=C(F)C=C1F)C(=O)O SC-03440 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.75 COC1=CC(C[C@@H](N)C(=O)O)=CC=C1 SC-10833 [1,1,0,0,0,0|0,0,0]=2 63 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 SC-10832 [1,1,0,0,0,0|0,0,0]=2 64 B14R1.75 N#CC1=CC(CC(N)C(=O)O)=CC=C1 SC-10577 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.75 N#CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 SC-10576 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.135 COC(=O)C(N)CC1=CC=CC(O)=C1 SC-41627 [1,1,0,0,0,0|0,0,0]=2 67 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O SC-03442 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1C SC-42247 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1O SC-28078 [1,1,0,0,0,0|0,0,0]=2 70 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O SC-17540 [1,1,0,0,0,0|0,0,2]=4 71 B14R1.685 CC1=CC(C(N)CC(=O)O)=CC=C1Br SC-59674 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.685 CC1=CC(C(N)CC(=O)O)=CC=C1Cl SC-59675 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.685 CC1=CC(C(N)CC(=O)O)=CC=C1O SC-59280 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.685 NC(CC(=O)O)C1=CC(O)=C(O)C=C1 SC-59349 [1,1,0,0,0,0|0,0,0]=2 75 B14R1.685 NC(CC(=O)O)C1=CC=C(Cl)C(Cl)=C1 SC-23914 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.685 NC(CC(=O)O)C1=CC=C(F)C(Br)=C1 SC-59212 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.685 NC(CC(=O)O)C1=CC=C(F)C(Cl)=C1 SC-59286 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.685 NC(CC(=O)O)C1=CC=C(F)C(F)=C1 SC-59274 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.685 NC(CC(=O)O)C1=CC=C(O)C(Br)=C1 SC-59294 [1,1,0,0,0,0|1,0,0]=3 80 B14R1.685 NC(CC(=O)O)C1=CC=C(O)C(Cl)=C1 SC-59288 [1,1,0,0,0,0|1,0,0]=3 81 B14R1.833 COC(=O)CCC1=CC=C(C)C(Br)=C1 SC-42554 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.833 COC(=O)CCC1=CC=C(Cl)C(C)=C1 SC-30753 [1,1,0,0,0,0|2,0,0]=4 83 B14R1.833 COC(=O)\C=C\C1=CC=C(O)C(O)=C1 SC-88492 [1,1,0,0,0,0|0,0,2]=4 84 B14R1.3653 CCC1=CC=C(CCC(=O)O)C=C1N SC-13182 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.6036 O=C(O)CCC1=CC(F)=C(F)C=C1F SC-30575 [1,1,0,0,0,0|2,0,0]=4 86 B14R1.6059 O=C(O)CCC1=C(F)C(F)=C(F)C=C1 SC-30822 [1,1,0,0,0,0|2,0,0]=4 87 B14R1.6059 O=C(O)CCC1=CC=C(F)C(Cl)=C1F SC-42499 [1,1,0,0,0,0|2,0,0]=4 88 B14R1.15552 O=C(O)\C=C\C1=CC(O)=C(O)C(O)=C1 SC-38771 [1,1,0,0,0,0|0,0,2]=4 89 B14R1.41 COC1=CC(C(N)C(=O)O)=CC=C1O SC-59455 [0,1,0,0,1,0|0,0,0]=2 90 B14R1.41 COC1=CC(C(O)C(=O)O)=CC=C1O SC-87649 [0,1,0,0,1,0|1,0,0]=3 91 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1Br SC-59410 [0,1,0,0,1,0|1,0,0]=3 92 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1C SC-59508 [0,1,0,0,1,0|1,0,0]=3 93 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1Cl SC-59412 [0,1,0,0,1,0|1,0,0]=3 94 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1F SC-59494 [0,1,0,0,1,0|1,0,0]=3 95 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1O SC-12441 [0,1,0,0,1,0|0,0,0]=2 96 B14R1.6038 CC1=CC(C)=C(C)C=C1C(N)C(=O)O SC-59407 [0,1,0,0,1,0|2,0,0]=4 97 B14R1.6038 NC(C(=O)O)C1=CC(O)=C(O)C=C1O SC-59413 [0,1,0,0,1,0|0,0,0]=2 98 B14R1.15551 CC1=CC(C(N)C(=O)O)=CC(C)=C1O SC-59522 [0,1,0,0,1,0|1,0,0]=3 99 B14R1.15551 NC(C(=O)O)C1=CC(Br)=C(O)C(Br)=C1 SC-59429 [0,1,0,0,1,0|1,0,0]=3 100 B14R1.15551 NC(C(=O)O)C1=CC(Cl)=C(O)C(Cl)=C1 SC-59406 [0,1,0,0,1,0|1,0,0]=3 101 B14R1.15551 NC(C(=O)O)C1=CC(O)=C(O)C(O)=C1 SC-59506 [0,1,0,0,1,0|0,0,0]=2 102 B16R1.11361 N[C@H](CC(=O)O)CC1=CC(F)=C(F)C=C1F SC-74028 [0,1,0,0,0,1|2,0,0]=4 103 B16R1.1058 N[C@@H](CC1=CC([N+](=O)[O-])=C(O)C=C1)C(=O)O SC-09982 [0,2,0,0,0,0|0,0,1]=3 104 B14R2.4529 O=C(O)C1CC2=C(C=C(Br)C=C2)C1 SC-65934 [1,0,0,1,0,0|2,0,0]=4 105 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 SC-35973 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SC-46704 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 SC-70190 [1,0,0,0,1,0|1,0,0]=3 108 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 SC-05814 [1,0,0,0,1,0|1,0,0]=3 109 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 SC-75645 [1,0,0,0,1,0|2,0,0]=4 110 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 SC-53438 [1,0,0,0,1,0|1,0,0]=3 111 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 SC-51353 [1,0,0,0,1,0|1,0,0]=3 112 B12R1.225 CC(C(=O)O)C1=CC=CC(Br)=C1 SC-65900 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.225 CC(C(=O)O)C1=CC=CC(F)=C1 SC-50176 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 SC-62949 [1,0,0,0,1,0|0,0,0]=2 115 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SC-69334 [1,0,0,0,1,0|2,0,0]=4 116 B14R1.698 CC(CC1=CC=C(O)C=C1)NC(=O)O SC-60631 [1,0,0,0,0,1|1,0,0]=3 117 B14R1.698 NC(CC(=O)O)CC1=CC=C(Cl)C=C1 SC-20837 [1,0,0,0,0,1|1,0,0]=3 118 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 SC-A1249 [1,0,0,0,0,1|1,0,0]=3 119 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 SC-A1246 [1,0,0,0,0,1|1,0,0]=3 120 B14R1.687 O=C(O)CCCC1=CC=C(O)C(O)=C1 SC-51735 [1,0,0,0,0,1|0,0,0]=2