0 B14R1.160 CC1=C(C(=O)CCC(=O)O)C=CC=C1 1506005 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.160 O=C(O)CCC(=O)C1=C(F)C=CC=C1 1506016 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl 1506035 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=N1 1367727 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.45 CC(=O)CCC(=O)C1=CC=CN=C1 1367728 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.45 CC(=O)CCC(=O)C1=CC=NC=C1 1367729 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 1043510 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.45 O=C(O)CCC(=O)C1=CC=CN=C1 1781557 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 1045437 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 1045468 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.45 O=C(O)CNC(=O)C1=NC=CN=C1 1375472 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 7110952594 [1,0,0,0,0,0|0,0,2]=3 12 B13R1.158 CC1=C(CCCC(=O)O)C=CC=C1 1505993 [1,0,0,0,0,0|1,0,1]=3 13 B13R1.158 NC(=O)CCCC1=CC=CC=C1Cl 6641981 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.158 O=C(O)CCCC1=C(Cl)C=CC=C1 1506022 [1,0,0,0,0,0|1,0,1]=3 15 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 1506001 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl 7020671251 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.674 C=CCNC(=O)C1=C(Br)C=CC=C1 0115540215 [1,0,0,0,0,0|3,0,0]=4 18 B15R1.5815 CCC(=O)NNC(=O)C1=CC=CC=C1O 1014886 [0,1,0,0,0,0|3,0,0]=4 19 B15R1.5815 NNC(=O)CNC(=O)C1=CC=CC=C1Cl 1220652 [0,1,0,0,0,0|3,0,0]=4 20 B15R1.5822 CC1=CC(C)=C(C(=O)CCC(=O)O)C=C1 1501192 [0,1,0,0,0,0|1,0,0]=2 21 B15R1.5822 O=C(O)CNC(=O)C1=C(Cl)C=C(Cl)C=C1 7012350676 [0,1,0,0,0,0|2,0,0]=3 22 B15R1.8020 O=C(O)CCS(=O)(=O)C1=C(Cl)C=CC=C1 1218985 [0,1,0,0,0,0|2,0,0]=3 23 B15R1.8420 O=C(O)CCC(=O)C1=CC(Cl)=CC=C1O 4341666 [0,1,0,0,0,0|0,0,0]=1 24 B15R1.8420 O=C(O)\C=C\C(=O)C1=CC(Cl)=CC=C1Cl 1506065 [0,1,0,0,0,0|1,0,2]=4 25 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 7013890552 [0,0,0,1,0,0|2,0,0]=3 26 B15R2.6 O=C(O)CCC1=NC=C2C=CC=CN21 1146058 [0,0,0,1,0,0|3,0,0]=4 27 B15R2.6 O=C(O)CCC1=NN=C2C=CC=CN21 1148643 [0,0,0,1,0,0|3,0,0]=4 28 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C21 1368585 [0,0,0,1,0,0|3,0,0]=4 29 B15R2.308 O=C1CCC(C2=C(F)C=CC=C2)=NN1 1901306 [0,0,0,1,0,0|3,0,0]=4 30 B15R2.308 O=C1CCC(C2=C(O)C=CC=C2)=NN1 1901307 [0,0,0,1,0,0|2,0,0]=3 31 B15R2.308 O=C1CCC(C2=CC=CC=C2Cl)=NN1 1901305 [0,0,0,1,0,0|3,0,0]=4 32 B15R2.629 O=C(O)CN1CC2=CC=CC=C2C1=O 1195778 [0,0,0,1,0,0|2,0,0]=3 33 B15R2.629 O=C(O)CN1NC2=CC=CC=C2C1=O 3463564 [0,0,0,1,0,0|2,0,0]=3 34 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O 3461563 [0,0,0,1,0,0|1,1,0]=3 35 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 2933498 [0,0,0,1,0,0|0,0,2]=3 36 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(=O)S1 7116990200 [0,0,0,1,0,0|2,0,1]=4 37 B15R2.14951 O=C1CC(C(=O)O)CC2=CC=CC=C12 2049301 [0,0,0,1,0,0|1,0,0]=2 38 B13R1.201 NC(CC(=O)O)C1=C(Cl)C=CC=C1 7216070020 [0,0,0,0,1,0|2,0,1]=4 39 B15R1.256 CC1=C(NC(=O)CCC(=O)O)C=CC=C1 7111550144 [0,0,0,0,0,1|1,0,0]=2 40 B15R1.256 NC1=C(NC(=O)CCC(=O)O)C=CC=C1 2368006 [0,0,0,0,0,1|1,0,0]=2 41 B15R1.256 O=C(O)\C=C/C(=O)NC1=C(F)C=CC=C1 7113232008 [0,0,0,0,0,1|1,0,2]=4 42 B15R1.256 O=C(O)\C=C/C(=O)NC1=CC=CC=C1Cl 7010590148 [0,0,0,0,0,1|1,0,2]=4 43 B15R1.256 O=C(O)\C=C\C(=O)NC1=C(O)C=CC=C1 1214718 [0,0,0,0,0,1|0,0,2]=3 44 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 1368234 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.30 O=C(NCCO)C1=CC=CC=C1 1272306 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.252 O=C(O)CCCC1=CC=CN=C1 1780062 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.252 O=C(O)CCNC1=CC=CC=C1 1142576 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.252 O=C(O)CCOC1=CC=CC=C1 0125160240 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.252 O=C(O)CCSC1=CC=CC=C1 7020661248 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.252 O=C(O)CNCC1=CC=CC=C1 1276806 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.252 O=C(O)CNCC1=CC=CC=C1 3037016 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.252 O=C(O)COCC1=CC=CC=C1 2048919 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 1505986 [2,0,0,0,0,0|1,0,1]=4 54 B14R1.149 NC1=CC=CC(C(=O)CCC(=O)O)=C1 1905144 [1,1,0,0,0,0|0,0,0]=2 55 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(Cl)=C1 1506036 [1,1,0,0,0,0|0,0,0]=2 56 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(O)=C1 1901304 [1,1,0,0,0,0|0,0,0]=2 57 B14R1.149 O=C(O)CNC(=O)C1=CC(F)=CC=C1 1045442 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 1904967 [1,1,0,0,0,0|0,0,0]=2 59 B14R1.415 C[C@H](NC(=O)C1=CN=CC=C1)C(=O)O 2674292 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.678 CC(=O)NCC(=O)C1=CC=C(Cl)C=C1 7020542809 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 7013010906 [1,1,0,0,0,0|0,0,0]=2 62 B14R1.678 CC1=CC=C(C(=O)\C=C\C(=O)O)C=C1 7110952593 [1,1,0,0,0,0|0,0,2]=4 63 B14R1.678 NC(CCC(=O)O)C1=CC=C(F)C=C1 2049577 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 1375749 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 1043519 [1,1,0,0,0,0|0,0,0]=2 66 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 1043518 [1,1,0,0,0,0|0,0,0]=2 67 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 1043517 [1,1,0,0,0,0|0,0,0]=2 68 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 7210742318 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.678 O=C(O)\C=C\C(=O)C1=CC=C(Br)C=C1 1324681 [1,1,0,0,0,0|0,0,2]=4 70 B14R1.678 O=C(O)\C=C\C(=O)C1=CC=C(F)C=C1 7110952595 [1,1,0,0,0,0|0,0,2]=4 71 B14R1.813 CC(C)(CCC(=O)O)C1=CC=CC=C1 1043390 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 0112820087 [1,1,0,0,0,0|1,0,0]=3 73 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 0117380193 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.96 COC1=C(CCCC(=O)O)C=CC=C1 1506014 [1,1,0,0,0,0|0,0,1]=3 75 B14R1.96 COC1=C(NCCC(=O)O)C=CC=C1 1142587 [1,1,0,0,0,0|1,0,0]=3 76 B14R1.96 COC1=C(\C=C\CC(=O)O)C=CC=C1 3518411 [1,1,0,0,0,0|0,0,1]=3 77 B14R1.4464 CC1=CC(C)=C(CCCC(=O)O)C=C1 1500793 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.6072 CC1=CC(CCCC(=O)O)=C(C)C=C1 1043356 [1,1,0,0,0,0|1,0,1]=4 79 B16R1.1369 COC1=C(NC(=O)\C=C\C(=O)O)C=CC=C1 0123240111 [0,1,0,0,0,1|0,0,2]=4 80 B16R1.7488 CC1=CC=C(C)C(NC(=O)CCC(=O)O)=C1 7110950138 [0,1,0,0,0,1|1,0,0]=3 81 B16R1.11232 CC1=CC=CC(C)=C1NC(=O)CCC(=O)O 7119350879 [0,1,0,0,0,1|1,0,0]=3 82 B16R1.11390 CC1=CC(C)=C(NC(=O)CCC(=O)O)C=C1 0110420276 [0,1,0,0,0,1|1,0,0]=3 83 B16R1.11390 CC1=CC(Cl)=CC=C1NC(=O)CCC(=O)O 7012700003 [0,1,0,0,0,1|1,0,0]=3 84 B16R1.11390 CC1=CC=C(NC(=O)\C=C\C(=O)O)C(O)=C1 1358091 [0,1,0,0,0,1|0,0,2]=4 85 B16R1.11442 CC1=CC(C)=C(C(=O)CCCC(=O)O)C=C1 1501763 [0,1,0,0,0,1|1,0,0]=3 86 B16R1.11442 O=C(O)CCNC(=O)C1=C(Cl)C=C(Cl)C=C1 7110950694 [0,1,0,0,0,1|1,0,0]=3 87 B16R1.4361 COC1=C(C(=O)CCC(=O)O)C=C(C)C=C1 1043523 [0,2,0,0,0,0|0,0,0]=2 88 B16R1.4361 COC1=C(C(=O)CCC(=O)O)C=C(Cl)C=C1 1502930 [0,2,0,0,0,0|0,0,0]=2 89 B16R1.4361 COC1=C(C(=O)CCC(=O)O)C=C(F)C=C1 1502084 [0,2,0,0,0,0|0,0,0]=2 90 B16R1.636 CCC(NC(=O)C1=C(N)C=CC=C1)C(=O)O 2360557 [0,2,0,0,0,0|2,0,0]=4 91 B16R1.7441 COC(=O)CCC(=O)C1=CC(F)=CC=C1O 4342736 [0,2,0,0,0,0|0,0,0]=2 92 B16R1.40243 CC1=CC(S(=O)(=O)CCC(=O)O)=C(C)C=C1 7119750078 [0,2,0,0,0,0|2,0,0]=4 93 B16R1.20153 COC1=CC=C(O)C(C(=O)CCC(=O)O)=C1 3477773 [0,2,0,0,0,0|0,0,0]=2 94 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 0127443114 [0,0,1,1,0,0|2,0,0]=4 95 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 1655164 [1,0,0,1,0,0|2,0,0]=4 96 B14R2.287 O=C1CNC(=O)C2=C(C=CC=C2)N1 1099353 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 1974159 [1,0,0,1,0,0|0,0,0]=2 98 B14R2.25733 O=C1OC(C(=O)O)C2=C1C=CC=C2 3676645 [1,0,0,1,0,0|1,0,0]=3 99 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 1149690 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 1178789 [1,0,0,1,0,0|0,0,1]=3 101 B14R2.781 NC(=O)C1COC2=CC=CC=C2O1 0103080016 [1,0,0,1,0,0|2,0,0]=4 102 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 2215012 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl 1179615 [1,0,0,1,0,0|1,0,1]=4 104 B14R2.2 NC(=O)CC1=COC2=CC=CC=C12 6050971 [0,0,0,1,1,0|2,0,0]=4 105 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 7216516554 [0,0,0,1,1,0|1,0,1]=4 106 B16R2.3989 NC(=O)CC1NC2=CC=CC=C2NC1=O 7111630024 [0,0,0,1,0,1|2,0,0]=4 107 B16R2.3989 O=C(O)CC1OC2=CC=CC=C2NC1=O 1199178 [0,0,0,1,0,1|0,0,0]=2 108 B16R2.3989 O=C(O)CC1SC2=C(C=CC=C2)NC1=O 0111090182 [0,0,0,1,0,1|0,1,0]=3 109 B16R2.3356 O=C(O)CCN1CC2=CC=CC=C2C1=O 1195418 [0,0,0,1,0,1|1,0,0]=3 110 B16R2.3356 O=C(O)CCN1NC2=C(C=CC=C2)C1=O 5959637 [0,0,0,1,0,1|1,0,0]=3 111 B16R2.3356 O=C(O)CCN1SC2=C(C=CC=C2)C1=O 3461773 [0,0,0,1,0,1|0,1,0]=3 112 B16R2.16183 O=C(O)CN1C(=O)C2=CC=CC=C2C1=O 0123400528 [0,1,0,1,0,0|1,0,1]=4 113 B16R2.83538 O=C(O)CN1C=NC2=CC=CC=C2C1=O 7010160005 [0,1,0,1,0,0|2,0,0]=4 114 B16R2.83538 O=C(O)CN1N=CC2=C(C=CC=C2)C1=O 1218883 [0,1,0,1,0,0|2,0,0]=4 115 B16R2.83538 O=C(O)CN1N=NC2=CC=CC=C2C1=O 7118560600 [0,1,0,1,0,0|2,0,0]=4 116 B16R2.104522 CN1C=C(CCC(=O)O)C2=C1C=CC=C2 2268267 [0,1,0,1,0,0|2,0,0]=4 117 B16R2.179941 O=C(O)CCC1=CC=CC2=CC=CC=C21 7020400404 [0,1,0,1,0,0|2,0,0]=4 118 B16R2.179941 O=C(O)CCC1=NC=NC2=CC=CC=C21 3710897 [0,1,0,1,0,0|2,0,0]=4 119 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O 15386326 [0,1,0,1,0,0|2,0,0]=4 120 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O 1194815 [0,1,0,1,0,0|2,0,0]=4 121 B16R2.3355 C[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O 3463439 [0,1,0,1,0,0|2,0,0]=4 122 B16R2.3355 C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O 3461627 [0,1,0,1,0,0|1,1,0]=4 123 B16R2.387812 CC1(C(=O)O)CC(=O)C2=CC=CC=C2O1 7020610066 [0,1,0,1,0,0|0,0,0]=2 124 B16R2.23501 CC1=CC=C2OC(C(=O)O)=CC(=O)C2=C1 1686731 [0,1,0,1,0,0|0,0,2]=4 125 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Br)=C2)O1 7020410192 [0,1,0,1,0,0|0,0,2]=4 126 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Cl)=C2)O1 7020410195 [0,1,0,1,0,0|0,0,2]=4 127 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(F)=C2)O1 5006342 [0,1,0,1,0,0|0,0,2]=4 128 B16R2.23501 O=C1OC(C(=O)O)CC2=CC=C(Cl)C=C12 7119830829 [0,1,0,1,0,0|2,0,0]=4 129 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 1090395 [0,1,0,1,0,0|1,0,1]=4 130 B16R2.4003 O=C(O)CCN1C(=O)SC2=CC=CC=C21 1262475 [0,1,0,1,0,0|1,1,0]=4 131 B12R1.54 CC(=O)CCC(=O)C1=CC=CS1 1368211 [1,0,0,0,1,0|2,0,0]=4 132 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 1043509 [1,0,0,0,1,0|1,0,0]=3 133 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 1902541 [1,0,0,0,1,0|1,0,0]=3 134 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 1042017 [1,0,0,0,1,0|1,0,1]=4 135 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 1041772 [1,0,0,0,1,0|1,0,1]=4 136 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 5110070076 [1,0,0,0,1,0|1,0,1]=4 137 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 11639257 [1,0,0,0,1,0|1,0,1]=4 138 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 1512405 [1,0,0,0,1,0|1,0,0]=3 139 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 0125160286 [1,0,0,0,1,0|2,0,0]=4 140 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 1512399 [1,0,0,0,1,0|1,0,1]=4 141 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7020380021 [1,0,0,0,1,0|2,0,0]=4 142 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 1512707 [1,0,0,0,1,0|1,0,0]=3 143 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 7020400402 [1,0,0,0,1,0|1,0,0]=3 144 B12R1.125 O=C(O)CCC1=CC=CC=C1F 7020400397 [1,0,0,0,1,0|1,0,0]=3 145 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 0107930010 [1,0,0,0,1,0|2,0,0]=4 146 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 0125160239 [1,0,0,0,1,0|1,0,1]=4 147 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 7020400348 [1,0,0,0,1,0|1,0,1]=4 148 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 1043529 [1,0,0,0,0,1|0,0,0]=2 149 B14R1.420 O=C(O)CCNC(=O)C1=NC=CN=C1 2333457 [1,0,0,0,0,1|2,0,0]=4 150 B14R1.159 CC1=C(OCCCC(=O)O)C=CC=C1 7211740002 [1,0,0,0,0,1|1,0,1]=4 151 B14R1.159 O=C(O)CCCOC1=C(Br)C=CC=C1 7020663765 [1,0,0,0,0,1|1,0,1]=4 152 B14R1.159 O=C(O)CCCOC1=C(Cl)C=CC=C1 7020401723 [1,0,0,0,0,1|1,0,1]=4 153 B14R1.159 O=C(O)CCCOC1=C(F)C=CC=C1 2858442 [1,0,0,0,0,1|1,0,1]=4 154 B14R1.159 O=C(O)CCCSC1=C(Br)C=CC=C1 7020675922 [1,0,0,0,0,1|1,0,1]=4