0 B15R1.889 CC1=C(C=C(C=C1)C(=O)CCC(=O)O)Cl PH010432 [0,0,0,0,0,0|1,1,0]=2 1 B15R1.889 CC1=CC=C(C=C1C)C(=O)NCC(=O)O PH006908 [0,0,0,0,0,0|3,0,0]=3 2 B15R1.889 O=C(O)/C=C/C(=O)C1=CC(=C(C=C1)Cl)Cl L306835 [0,0,0,0,0,0|0,2,2]=4 3 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)F PH014108 [1,0,0,0,0,0|3,0,0]=4 4 B14R1.149 O=C(O)CCC(=O)C1=CC(=CC=C1)F PH009958 [1,0,0,0,0,0|0,0,0]=1 5 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(=C1)O PH007900 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Cl R537748 [1,0,0,0,0,0|1,1,0]=3 7 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Br PH005212 [1,0,0,0,0,0|2,1,0]=4 8 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Cl PH000535 [1,0,0,0,0,0|2,1,0]=4 9 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Br S82261 [1,0,0,0,0,0|2,1,0]=4 10 B14R1.678 CC1=CC=C(C=C1)/C(=C\CC(=O)O)/C T195170 [1,0,0,0,0,0|2,0,1]=4 11 B14R1.678 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O JRD0202 [1,0,0,0,0,0|1,0,2]=4 12 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)N R548197 [1,0,0,0,0,0|3,0,0]=4 13 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O T195227 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Br R169897 [1,0,0,0,0,0|2,1,0]=4 15 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Cl R648221 [1,0,0,0,0,0|2,1,0]=4 16 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)N PH010085 [1,0,0,0,0,0|3,0,0]=4 17 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O PH002256 [1,0,0,0,0,0|1,0,0]=2 18 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)Br PH010535 [1,0,0,0,0,0|0,1,2]=4 19 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)F JRD0699 [1,0,0,0,0,0|0,0,2]=3 20 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O T136271 [1,0,0,0,0,0|1,0,0]=2 21 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br R169889 [1,0,0,0,0,0|1,1,0]=3 22 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl S658049 [1,0,0,0,0,0|1,1,0]=3 23 B14R1.678 O=C(O)CSC(=S)C1=CC=C(C=C1)O PH007939 [1,0,0,0,0,0|2,1,0]=4 24 B14R1.687 CC1=CC=C(C=C1C)CCCC(=O)O S714461 [1,0,0,0,0,0|2,0,1]=4 25 B14R1.687 CC1=CC=C(C=C1C)OCCC(=O)O PH009804 [1,0,0,0,0,0|3,0,0]=4 26 B16R1.1063 CC1=CC=C(C=C1C)S(=O)(=O)CCC(=O)O CDS016281 [0,1,0,0,0,0|3,0,0]=4 27 B16R2.2864 O=C1CCN(CC1)C2=CC(=C(C=C2)F)F CBR00454 [0,0,0,1,0,0|3,0,0]=4 28 B14R1.685 CC(=O)CC(=O)C1=CC(=C(C=C1)C)C PH011723 [0,0,0,0,1,0|3,0,0]=4 29 B14R1.685 CC(=O)CC(=O)C1=CC=C(C(=C1)Cl)Cl PH002890 [0,0,0,0,1,0|1,2,0]=4 30 B16R1.1036 CC1=C(C=C(C=C1)NC(=O)CCC(=O)O)C S703184 [0,0,0,0,0,1|2,0,0]=3 31 B16R1.1036 CC1=C(C=C(C=C1)NC(=O)CCC(=O)O)F R944513 [0,0,0,0,0,1|1,0,0]=2 32 B16R1.1036 CC1=CC(=CC=C1Br)NC(=O)CCC(=O)O S921831 [0,0,0,0,0,1|1,1,0]=3 33 B16R1.1036 CC1=CC=C(C=C1Cl)NC(=O)CCC(=O)O S878030 [0,0,0,0,0,1|1,1,0]=3 34 B16R1.1036 O=C(O)/C=C/C(=O)NC1=CC=C(C(=C1)Cl)F S922293 [0,0,0,0,0,1|0,1,2]=4 35 B16R1.1036 O=C(O)CCC(=O)NC1=CC(=C(C=C1)Cl)Cl S703753 [0,0,0,0,0,1|0,2,0]=3 36 B16R1.1036 O=C(O)CCC(=O)NC1=CC(=C(C=C1)F)F L130052 [0,0,0,0,0,1|0,0,0]=1 37 B13R1.45 C(=C/C(=O)C1=CC=CC=C1)\C(=O)O R152099 [2,0,0,0,0,0|0,0,2]=4 38 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [2,0,0,0,0,0|1,0,0]=3 39 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [2,0,0,0,0,0|2,0,0]=4 40 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [2,0,0,0,0,0|1,0,1]=4 41 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [2,0,0,0,0,0|0,0,0]=2 43 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 R738832 [2,0,0,0,0,0|2,0,0]=4 44 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F S349917 [2,0,0,0,0,0|1,0,1]=4 45 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)F L481998 [2,0,0,0,0,0|1,0,1]=4 46 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [2,0,0,0,0,0|1,0,1]=4 47 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [2,0,0,0,0,0|0,1,1]=4 48 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [2,0,0,0,0,0|0,1,1]=4 49 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [2,0,0,0,0,0|1,1,0]=4 50 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [2,0,0,0,0,0|1,1,0]=4 51 B15R1.65 COC1=CC(=CC=C1)C(=O)CCC(=O)O R580244 [1,1,0,0,0,0|1,0,0]=3 52 B15R1.133 COC(=O)CNC(=O)C1=CC=CC(=C1)N CDS021041 [1,1,0,0,0,0|2,0,0]=4 53 B15R1.8420 CC1=CC=C(C(=C1)C(=O)CCC(=O)O)C S346829 [1,1,0,0,0,0|1,0,0]=3 54 B15R1.5 CCC1=CC=C(C=C1)C(=O)CCC(=O)O PH011458 [1,1,0,0,0,0|1,0,0]=3 55 B15R1.5 CSC1=CC=C(C=C1)C(=O)CCC(=O)O JRD0829 [1,1,0,0,0,0|1,0,0]=3 56 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)Br R944742 [1,1,0,0,0,0|0,1,0]=3 57 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)C R944726 [1,1,0,0,0,0|1,0,0]=3 58 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)Cl JRD0348 [1,1,0,0,0,0|0,1,0]=3 59 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)F R944734 [1,1,0,0,0,0|0,0,0]=2 60 B15R1.132 COC(=O)CNC(=O)C1=CC=C(C=C1)N CDS020835 [1,1,0,0,0,0|2,0,0]=4 61 B15R1.880 CC(CC(=O)O)C(=O)C1=CC=C(C=C1)Cl PH011094 [1,1,0,0,0,0|0,1,0]=3 62 B15R1.880 O=C(O)CC(Br)C(=O)C1=CC=C(C=C1)F PH005192 [1,1,0,0,0,0|0,0,0]=2 63 B15R1.881 C[C@@H](NC(=O)C1=CC=C(C=C1)Cl)C(=O)O PH010774 [1,1,0,0,0,0|1,1,0]=4 64 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O S195006 [1,1,0,0,0,0|2,0,0]=4 65 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O S271373 [1,1,0,0,0,0|2,0,0]=4 66 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)O L497967 [1,1,0,0,0,0|1,0,0]=3 67 B15R1.5822 CC1=CC=C(C(=C1)C)C(=O)CCC(=O)O S346810 [1,1,0,0,0,0|1,0,0]=3 68 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl OTV000038 [1,1,0,0,0,0|1,1,0]=4 69 B17R1.96182 O=C(O)CCC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S703788 [0,1,0,0,0,1|0,2,0]=4 70 B17R1.4640 COC1=C(C=C(C=C1)C(=O)CCC(=O)O)OC R155799 [0,2,0,0,0,0|2,0,0]=4 71 B17R1.4175 CC1=C(C(=C(C(=C1)C(=O)CCC(=O)O)C)C)C S468649 [0,2,0,0,0,0|2,0,0]=4 72 B15R2.7494 O=C1CCS(=O)(=O)C2=CC=C(C=C12)F T325031 [1,0,0,1,0,0|1,0,1]=4 73 B15R2.3 O=C1CCC(=NN1)C2=CC=C(C=C2)F R818518 [1,0,0,1,0,0|2,0,0]=4 74 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Br PH010989 [1,0,0,0,1,0|1,1,0]=4 75 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [1,0,0,0,1,0|1,1,0]=4 76 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [1,0,0,0,1,0|1,1,0]=4 77 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Br R436674 [1,0,0,0,1,0|0,1,1]=4 78 B13R1.510 NC(C(=O)O)C1=CC=C(C(=C1)F)F CDS022248 [0,0,0,0,2,0|1,0,1]=4 79 B15R1.120 CC1=CC=NC(=C1)NC(=O)CCC(=O)O S701114 [1,0,0,0,0,1|2,0,0]=4 80 B15R1.120 CC1=NC(=CC=C1)NC(=O)CCC(=O)O S878014 [1,0,0,0,0,1|2,0,0]=4 81 B15R1.120 O=C(O)/C=C/C(=O)NC1=CC=CC(=C1)F S732311 [1,0,0,0,0,1|0,0,2]=4 82 B15R1.120 O=C(O)CCC(=O)NC1=CC(=CC=C1)Cl R457426 [1,0,0,0,0,1|0,1,0]=3 83 B15R1.111 O=C(O)/C=C/C(=O)NC1=CC=C(C=C1)F S692905 [1,0,0,0,0,1|0,0,2]=4 84 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)Br S704431 [1,0,0,0,0,1|0,1,0]=3 85 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)F S702811 [1,0,0,0,0,1|0,0,0]=2 86 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)I S719420 [1,0,0,0,0,1|0,1,0]=3 87 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)O OTV000102 [1,0,0,0,0,1|1,0,0]=3 88 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)F R169609 [1,0,0,0,0,1|0,0,0]=2 89 B17R1.1066 CC1=C(C=C(C=C1)NC(=O)CCCC(=O)O)C S703842 [0,0,0,0,0,2|2,0,0]=4 90 B17R1.1066 CC1=CC(=CC=C1Br)NC(=O)CCCC(=O)O S921777 [0,0,0,0,0,2|1,1,0]=4 91 B17R1.1066 O=C(O)CCCC(=O)NC1=CC(=C(C=C1)Cl)Cl S703877 [0,0,0,0,0,2|0,2,0]=4