0 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,0,0,0,0,0|0,0,2]=2 5 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,0,0,0,0,0|0,0,2]=2 6 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,0,0,0,0,0|1,0,1]=2 10 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,0,0,0,0,0|1,0,1]=2 14 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,0,0,0,0,0|0,0,0]=0 17 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [0,0,0,0,0,0|2,0,1]=3 19 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,0,0,0,0,0|0,0,2]=2 20 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [1,0,0,0,0,0|0,0,2]=3 29 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,0,0,0,0,0|1,0,2]=4 36 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [1,0,0,0,0,0|2,1,0]=4 38 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [1,0,0,0,0,0|0,0,2]=3 41 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [1,0,0,0,0,0|1,0,2]=4 46 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [1,0,0,0,0,0|1,0,2]=4 47 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [0,1,0,0,0,0|1,0,1]=3 48 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [0,1,0,0,0,0|1,0,1]=3 49 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [0,1,0,0,0,0|1,0,1]=3 50 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [0,1,0,0,0,0|1,0,1]=3 51 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [0,1,0,0,0,0|1,0,1]=3 52 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [0,1,0,0,0,0|1,0,1]=3 53 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [0,1,0,0,0,0|1,0,1]=3 54 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [0,1,0,0,0,0|1,0,1]=3 55 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [0,1,0,0,0,0|1,0,1]=3 57 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.133 C1=CC(=CC=C1N)NC(=O)C(=O)O PI-30042 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.133 CC(=CC1=CC=C(C=C1)F)C(=O)O PI-36345 [0,1,0,0,0,0|1,0,1]=3 60 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.133 Clc1ccc(cc1)OC(C)C(=O)O PI-32596 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [0,1,0,0,0,0|1,0,1]=3 64 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [0,1,0,0,0,0|1,0,1]=3 67 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [0,1,0,0,0,0|1,0,1]=3 68 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [0,1,0,0,0,0|1,0,1]=3 69 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [0,1,0,0,0,0|0,0,2]=3 71 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.135 C1=CC=C(C=C1)C[C@@H](C(=O)NN)N PI-50293 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,1,0,0,0,0|1,0,1]=3 75 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [0,1,0,0,0,0|0,0,2]=3 76 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,1,0,0,0,0|1,0,1]=3 77 B13R1.148 C1=CC(=CC(=C1)Br)CC(C(=O)O)N PI-43732 [0,1,0,0,0,0|1,0,1]=3 78 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43882 [0,1,0,0,0,0|1,0,1]=3 79 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43883 [0,1,0,0,0,0|1,0,1]=3 80 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14973 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14974 [0,1,0,0,0,0|1,0,1]=3 82 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-30399 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43208 [0,1,0,0,0,0|1,0,1]=3 84 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43420 [0,1,0,0,0,0|1,0,1]=3 85 B13R1.148 OC(=O)C(N)Cc1cccc(O)c1 PI-27906 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)O)N PI-33678 [0,1,0,0,0,0|0,0,2]=3 87 B13R1.152 CC(C1=CC=CC=C1)C(C(=O)O)N PI-30943 [0,1,0,0,0,0|1,0,1]=3 88 B13R1.152 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)O PI-48759 [0,1,0,0,0,0|1,0,1]=3 89 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25400 [0,1,0,0,0,0|1,0,1]=3 90 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25557 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43385 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43881 [0,1,0,0,0,0|1,0,1]=3 93 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14971 [0,1,0,0,0,0|1,0,1]=3 94 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14972 [0,1,0,0,0,0|1,0,1]=3 95 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-27404 [0,1,0,0,0,0|1,0,1]=3 96 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)O PI-27375 [0,1,0,0,0,0|1,0,1]=3 97 B13R1.202 CC1=CC=CC=C1CC(C(=O)O)N PI-43884 [0,1,0,0,0,0|1,0,1]=3 98 B13R1.202 OC(=O)[C@@H](Cc1ccccc1C)N PI-39411 [0,1,0,0,0,0|1,0,1]=3 99 B13R1.418 C1=CC(=CN=C1)C=C(C#N)C(=O)O PI-20314 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.418 CCC(C(=O)O)OC1=CC=CC=C1 PI-32600 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,1,0,0,0,0|1,0,1]=3 102 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14932 [0,1,0,0,0,0|1,0,1]=3 103 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14933 [0,1,0,0,0,0|1,0,1]=3 104 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C PI-30075 [0,1,0,0,0,0|1,0,1]=3 105 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [0,0,0,1,0,0|2,0,1]=4 106 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [0,0,0,1,0,0|1,0,1]=3 107 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [0,0,0,1,0,0|1,0,2]=4 108 B13R2.423 C1C(C1C(=O)Cl)C2=CC=CC=C2 PI-17992 [0,0,0,1,0,0|2,0,1]=4 109 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 PI-17993 [0,0,0,1,0,0|1,0,1]=3 110 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O PI-35441 [0,0,0,1,0,0|2,0,0]=3 111 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O PI-22728 [0,0,0,1,0,0|1,0,1]=3 112 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)Cl PI-14800 [0,0,0,1,0,0|1,0,2]=4 113 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O PI-30651 [0,0,0,1,0,0|0,0,2]=3 114 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)N PI-26819 [0,0,0,1,0,0|1,1,1]=4 115 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O PI-14824 [0,0,0,1,0,0|0,1,1]=3 116 B13R2.435 C1=CC=C2C(=C1)N=C(O2)C(=O)[O-] PI-48150 [0,0,0,1,0,0|1,0,2]=4 117 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-12890 [0,0,0,1,0,0|1,0,1]=3 118 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-22729 [0,0,0,1,0,0|1,0,1]=3 119 B13R2.435 C1C(OC2=CC=CC=C21)C(=O)O PI-19265 [0,0,0,1,0,0|0,0,2]=3 120 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 PI-18361 [0,0,0,1,0,0|1,1,1]=4 121 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 PI-11776 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.435 CC(=O)c1cc2c(o1)cccc2 PI-29182 [0,0,0,1,0,0|1,0,2]=4 123 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C PI-46721 [0,0,0,1,0,0|2,0,1]=4 124 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 PI-26615 [0,0,0,1,0,0|1,1,1]=4 125 B13R2.435 OC(=O)[C@@H]1Cc2c(N1)cccc2 PI-10816 [0,0,0,1,0,0|1,0,1]=3 126 B11R1.35 C1=COC(=C1)CC(C(=O)O)N PI-43398 [0,0,0,0,1,0|2,0,1]=4 127 B11R1.35 C1=COC(=C1)CC(C(=O)O)N PI-43461 [0,0,0,0,1,0|2,0,1]=4 128 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N PI-25746 [0,0,0,0,1,0|2,0,1]=4 129 B11R1.35 C1=CSC=C1CC(C(=O)O)N PI-25186 [0,0,0,0,1,0|2,0,1]=4 130 B11R1.35 C1=CSC=C1CC(C(=O)O)N PI-25492 [0,0,0,0,1,0|2,0,1]=4 131 B11R1.35 OC(=O)[C@H](Cc1cccs1)N PI-25369 [0,0,0,0,1,0|2,0,1]=4 132 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [0,0,0,0,1,0|2,0,1]=4 133 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,0,0,0,1,0|1,0,1]=3 134 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,0,0,0,1,0|1,0,1]=3 135 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,0,0,0,1,0|0,0,2]=3 136 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,0,0,0,1,0|2,0,1]=4 137 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,0,0,0,1,0|1,0,0]=2 138 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [0,0,0,0,1,0|2,0,1]=4 139 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,0,0,0,1,0|1,0,1]=3 140 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,0,0,0,1,0|1,0,1]=3 141 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,0,0,0,1,0|1,0,1]=3 142 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,0,0,0,1,0|1,0,1]=3 143 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,0,0,0,1,0|2,0,1]=4 144 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,0,0,0,1,0|1,0,0]=2 145 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,0,0,0,1,0|0,0,0]=1 146 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,0,0,0,1,0|0,0,2]=3 147 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,0,0,0,1,0|0,0,2]=3 148 B13R1.348 C1=CC=C(C=C1)OC(=O)CC(=O)O PI-18496 [0,0,0,0,0,1|1,0,0]=2 149 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PI-17442 [0,0,0,0,0,1|2,0,1]=4 150 B13R1.348 OC(=O)C[C@@H](N)Cc1ccccc1 PI-13008 [0,0,0,0,0,1|1,0,1]=3 151 B13R1.348 OC(=O)C[C@H](N)Cc1ccccc1 PI-13007 [0,0,0,0,0,1|1,0,1]=3 152 B13R1.351 C1=C(CCC(C(O)=O)N)C=CC=C1 PI-16082 [0,0,0,0,0,1|1,0,1]=3 153 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [0,0,0,0,0,1|0,0,0]=1 154 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-14962 [0,0,0,0,0,1|1,0,1]=3 155 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-18071 [0,0,0,0,0,1|1,0,1]=3 156 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-20839 [0,0,0,0,0,1|0,0,2]=3 157 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-26069 [0,0,0,0,0,1|0,0,2]=3 158 B13R1.351 C1=CC=C(C=C1)SCC(C(=O)O)N PI-14285 [0,0,0,0,0,1|1,0,1]=3 159 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N PI-14323 [0,0,0,0,0,1|2,0,1]=4 160 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O PI-42713 [0,0,0,0,0,1|1,0,1]=3 161 B13R1.351 CC(C(=O)OCc1ccccc1)N PI-37613 [0,0,0,0,0,1|2,0,1]=4 162 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C PI-40376 [0,0,0,0,0,1|2,0,0]=3 163 B13R1.351 NC(C(=O)O)CCc1ccccc1 PI-26025 [0,0,0,0,0,1|1,0,1]=3 164 B13R1.351 O=C([C@H](N)C)OCc1ccccc1 PI-18535 [0,0,0,0,0,1|2,0,1]=4 165 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [2,0,0,0,0,0|0,0,2]=4 167 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [2,0,0,0,0,0|1,0,1]=4 168 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [2,0,0,0,0,0|1,0,0]=3 172 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [2,0,0,0,0,0|1,0,1]=4 175 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [2,0,0,0,0,0|1,0,1]=4 176 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [2,0,0,0,0,0|1,0,1]=4 177 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [2,0,0,0,0,0|1,0,0]=3 178 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [2,0,0,0,0,0|2,0,0]=4 180 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.49 O\N=C(\N)/Cc1ccc(Br)cc1 PI-22267 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [1,1,0,0,0,0|0,0,1]=3 216 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [1,1,0,0,0,0|0,0,1]=3 217 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [1,1,0,0,0,0|0,0,1]=3 218 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [1,1,0,0,0,0|0,0,1]=3 219 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [1,1,0,0,0,0|1,0,1]=4 220 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [1,1,0,0,0,0|1,0,1]=4 221 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [1,1,0,0,0,0|1,0,1]=4 222 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [1,1,0,0,0,0|1,0,1]=4 225 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [1,1,0,0,0,0|1,0,1]=4 227 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [1,1,0,0,0,0|0,0,1]=3 228 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [1,1,0,0,0,0|0,0,1]=3 229 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [1,1,0,0,0,0|0,0,1]=3 230 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [1,1,0,0,0,0|0,0,1]=3 231 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [1,1,0,0,0,0|1,0,1]=4 233 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [1,1,0,0,0,0|0,0,1]=3 234 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [1,1,0,0,0,0|0,0,1]=3 235 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [1,1,0,0,0,0|0,0,1]=3 236 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [1,1,0,0,0,0|1,0,1]=4 244 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N PI-45558 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [1,1,0,0,0,0|0,0,1]=3 249 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [1,1,0,0,0,0|0,0,1]=3 250 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [1,1,0,0,0,0|0,0,1]=3 253 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [1,1,0,0,0,0|0,0,1]=3 254 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [1,1,0,0,0,0|0,0,1]=3 255 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [1,1,0,0,0,0|0,0,1]=3 256 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [1,1,0,0,0,0|0,0,1]=3 257 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [1,1,0,0,0,0|0,0,1]=3 259 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [1,1,0,0,0,0|0,0,1]=3 260 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [1,1,0,0,0,0|0,0,1]=3 261 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [1,1,0,0,0,0|0,0,1]=3 262 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [1,1,0,0,0,0|0,0,1]=3 263 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [1,1,0,0,0,0|0,0,1]=3 265 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [1,1,0,0,0,0|0,0,1]=3 267 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [1,1,0,0,0,0|0,0,1]=3 268 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [1,1,0,0,0,0|0,0,1]=3 269 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [1,1,0,0,0,0|0,0,1]=3 270 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [1,1,0,0,0,0|1,0,1]=4 271 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [1,1,0,0,0,0|0,0,1]=3 272 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [1,1,0,0,0,0|0,0,1]=3 273 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [1,1,0,0,0,0|0,0,1]=3 274 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [1,1,0,0,0,0|0,0,1]=3 275 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [1,1,0,0,0,0|0,0,1]=3 276 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [1,1,0,0,0,0|0,0,1]=3 278 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [1,1,0,0,0,0|0,0,1]=3 279 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [1,1,0,0,0,0|0,0,1]=3 280 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [0,1,0,0,1,0|1,0,1]=4 281 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-15413 [0,1,0,0,1,0|1,0,1]=4 282 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21861 [0,1,0,0,1,0|1,0,1]=4 283 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21862 [0,1,0,0,1,0|1,0,1]=4 284 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [0,1,0,0,1,0|1,0,1]=4 285 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [0,1,0,0,1,0|1,0,1]=4 286 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O PI-27356 [0,1,0,0,1,0|1,0,1]=4 287 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [0,1,0,0,1,0|0,0,2]=4 288 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [0,1,0,0,1,0|0,0,2]=4 289 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [0,1,0,0,1,0|1,0,1]=4 290 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [0,1,0,0,1,0|1,0,1]=4 291 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [0,1,0,0,1,0|1,0,1]=4 292 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N PI-27478 [0,1,0,0,1,0|1,0,1]=4 293 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [0,1,0,0,1,0|0,0,2]=4 294 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)Br)Cl PI-16780 [0,1,0,0,1,0|1,0,1]=4 295 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Br PI-30383 [0,1,0,0,1,0|1,0,1]=4 296 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11217 [0,1,0,0,1,0|1,0,1]=4 297 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11226 [0,1,0,0,1,0|1,0,1]=4 298 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-13159 [0,1,0,0,1,0|1,0,1]=4 299 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11222 [0,1,0,0,1,0|0,0,2]=4 300 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11225 [0,1,0,0,1,0|0,0,2]=4 301 B12R1.124 CC(C1=CC=CC=C1Cl)C(=O)O PI-16403 [0,1,0,0,1,0|1,0,1]=4 302 B12R1.124 OC(=O)C(N)c1ccccc1O PI-36100 [0,1,0,0,1,0|1,0,1]=4 303 B12R1.124 OC(=O)C(c1ccccc1Br)O PI-12128 [0,1,0,0,1,0|0,0,2]=4 304 B12R1.124 OC(=O)C(c1ccccc1Cl)O PI-11216 [0,1,0,0,1,0|0,0,2]=4 305 B12R1.124 OC(=O)C(c1ccccc1F)N PI-17020 [0,1,0,0,1,0|1,0,1]=4 306 B12R1.124 OC(=O)[C@@H](c1ccccc1F)O PI-36868 [0,1,0,0,1,0|0,0,2]=4 307 B12R1.225 C1=CC(=CC(=C1)Br)C(C(=O)O)N PI-30934 [0,1,0,0,1,0|1,0,1]=4 308 B12R1.225 C1=CC(=CC(=C1)Cl)C(C(=O)O)N PI-24591 [0,1,0,0,1,0|1,0,1]=4 309 B12R1.225 CC(C(O)=O)C1=CC(Br)=CC=C1 PI-33919 [0,1,0,0,1,0|1,0,1]=4 310 B12R1.225 OC(=O)C(O)c1cccc(Br)c1 PI-21550 [0,1,0,0,1,0|0,0,2]=4 311 B12R1.225 OC(=O)C(O)c1cccc(C)c1 PI-24801 [0,1,0,0,1,0|0,0,2]=4 312 B12R1.225 O[C@H](C1=CC=CC(Cl)=C1)C(O)=O PI-37323 [0,1,0,0,1,0|0,0,2]=4 313 B12R1.253 CC(C)(C1=CC=CC=C1)C(=O)O PI-11339 [0,1,0,0,1,0|1,0,1]=4 314 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19096 [0,1,0,0,1,0|0,0,2]=4 315 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19536 [0,1,0,0,1,0|0,0,2]=4 316 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O PI-10781 [0,1,0,0,1,0|0,0,2]=4 317 B14R1.337 C1=CC=C(C(=C1)CC(CC(=O)O)N)Cl PI-26366 [0,1,0,0,0,1|1,0,1]=4 318 B14R1.337 C1=CC=C(C(=C1)CC(CC(=O)O)N)F PI-26344 [0,1,0,0,0,1|1,0,1]=4 319 B14R1.425 C1=CC=C(C=C1)CC(C(C(=O)O)O)N PI-26096 [0,1,0,0,0,1|1,0,1]=4 320 B14R1.425 N[C@@H]([C@@H](C(=O)O)O)Cc1ccccc1 PI-36921 [0,1,0,0,0,1|1,0,1]=4 321 B14R1.698 C1=CC(=CC=C1CC(CC(=O)O)N)Br PI-43741 [0,1,0,0,0,1|1,0,1]=4 322 B14R1.698 CC1=CC=C(C=C1)CC(CC(=O)O)N PI-26220 [0,1,0,0,0,1|1,0,1]=4 323 B14R1.698 OC(=O)C[C@@H](N)Cc1ccc(Cl)cc1 PI-26505 [0,1,0,0,0,1|1,0,1]=4 324 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 PI-14674 [0,1,0,0,0,1|0,0,0]=2 325 B14R1.415 CC(CC(=O)C1=CC=CC=C1)C(=O)O PI-26219 [0,1,0,0,0,1|1,0,1]=4 326 B14R1.679 O=C(O)[C@@H](N)CCC1=CC=C(O)C=C1 PI-37070 [0,1,0,0,0,1|1,0,1]=4 327 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N PI-43553 [0,2,0,0,0,0|1,0,1]=4 328 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N PI-43704 [0,2,0,0,0,0|1,0,1]=4 329 B14R1.3 COC1=CC=C(C=C1)CC(C(=O)O)N PI-28493 [0,2,0,0,0,0|1,0,1]=4 330 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-16294 [0,2,0,0,0,0|1,0,1]=4 331 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-28013 [0,2,0,0,0,0|1,0,1]=4 332 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N PI-30139 [0,2,0,0,0,0|1,0,1]=4 333 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-15757 [0,2,0,0,0,0|1,0,1]=4 334 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-37608 [0,2,0,0,0,0|1,0,1]=4 335 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N PI-37609 [0,2,0,0,0,0|1,0,1]=4 336 B14R1.536 C1=CC(=CC=C1C=C(C#N)C(=O)O)Cl PI-20207 [0,2,0,0,0,0|1,0,1]=4 337 B14R1.536 CC1=CC=C(C=C1)C=C(C#N)C(=O)O PI-20308 [0,2,0,0,0,0|1,0,1]=4 338 B14R1.686 C1=CC(=C(C=C1CC(=O)C(=O)O)O)O PI-34062 [0,2,0,0,0,0|0,0,0]=2 339 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl PI-25643 [0,2,0,0,0,0|1,0,1]=4 340 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl PI-25644 [0,2,0,0,0,0|1,0,1]=4 341 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O PI-25821 [0,2,0,0,0,0|1,0,1]=4 342 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)F PI-21216 [0,2,0,0,0,0|1,0,1]=4 343 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O PI-27890 [0,2,0,0,0,0|1,0,1]=4 344 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)N)O PI-27366 [0,2,0,0,0,0|1,0,1]=4 345 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-12967 [0,2,0,0,0,0|1,0,1]=4 346 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-44569 [0,2,0,0,0,0|1,0,1]=4 347 B14R1.686 CC1=C(C=C(C=C1)CC(C(=O)O)N)C PI-33681 [0,2,0,0,0,0|1,0,1]=4 348 B14R1.686 CC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O PI-48177 [0,2,0,0,0,0|1,0,1]=4 349 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(O)=O PI-38725 [0,2,0,0,0,0|1,0,1]=4 350 B14R1.686 N[C@@H](CC1=CC(Br)=C(C=C1)O)C(O)=O PI-37231 [0,2,0,0,0,0|1,0,1]=4 351 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)I)O)N PI-18843 [0,2,0,0,0,0|1,0,1]=4 352 B14R1.6049 C1=CC(=C(C=C1Cl)Cl)CC(C(=O)O)N PI-43403 [0,2,0,0,0,0|1,0,1]=4 353 B14R1.6049 C1=CC(=C(C=C1Cl)Cl)CC(C(=O)O)N PI-43414 [0,2,0,0,0,0|1,0,1]=4 354 B14R1.6049 C1=CC(=C(C=C1F)F)CC(C(=O)O)N PI-21213 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.7626 Oc1ccc(cc1)C[C@](C(=O)O)(N)C PI-14969 [0,2,0,0,0,0|1,0,1]=4 356 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [0,2,0,0,0,0|1,0,1]=4 357 B14R1.75 C1=CC(=CC(=C1)CC(C(=O)O)N)C#N PI-43703 [0,2,0,0,0,0|1,0,1]=4 358 B14R1.75 C1=CC(=CC(=C1)CC(C(=O)O)N)C#N PI-43819 [0,2,0,0,0,0|1,0,1]=4 359 B14R1.4257 C1=C(C=C(C=C1F)F)CC(C(=O)O)N PI-21217 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.4404 CC(CC1=CC(=CC=C1)O)(C(=O)O)N PI-27805 [0,2,0,0,0,0|1,0,1]=4 361 B14R1.4474 C1=CC(=C(C=C1F)CC(C(=O)O)N)F PI-21214 [0,2,0,0,0,0|1,0,1]=4 362 B14R1.3135 C1=CC=C(C(=C1)CC(C(=O)O)N)C#N PI-25396 [0,2,0,0,0,0|1,0,1]=4 363 B14R1.3135 C1=CC=C(C(=C1)CC(C(=O)O)N)C#N PI-25397 [0,2,0,0,0,0|1,0,1]=4 364 B14R1.5971 C1=CC(=C(C(=C1)F)CC(C(=O)O)N)F PI-21215 [0,2,0,0,0,0|1,0,1]=4 365 B14R1.5971 O=C(O)C(NC1=C(C)C=CC=C1C)=O PI-41643 [0,2,0,0,0,0|1,0,0]=3 366 B14R1.980 C1=CC=C(C=C1)CC(C(=O)O)NC=O PI-30114 [0,2,0,0,0,0|0,0,1]=3 367 B14R1.980 C1=CC=C(C=C1)CC(C(=O)O)NC=O PI-33240 [0,2,0,0,0,0|0,0,1]=3 368 B14R1.980 C1=CC=C(C=C1)CC(C(=O)O)NC=O PI-33241 [0,2,0,0,0,0|0,0,1]=3 369 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [1,0,0,1,0,0|1,0,1]=4 370 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [1,0,0,1,0,0|1,0,0]=3 371 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [1,0,0,1,0,0|2,0,0]=4 372 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [1,0,0,1,0,0|1,0,1]=4 373 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [1,0,0,1,0,0|2,0,0]=4 374 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O PI-16469 [1,0,0,1,0,0|0,0,2]=4 375 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O PI-29507 [1,0,0,1,0,0|0,1,1]=4 376 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O PI-14166 [1,0,0,1,0,0|1,1,0]=4 377 B12R2.32 C1C(=NO)CC2=CC=CC=C21 PI-13702 [1,0,0,1,0,0|2,0,0]=4 378 B12R2.32 O=Cc1cc2ccccc2[nH]1 PI-31918 [1,0,0,1,0,0|1,0,1]=4 379 B12R2.32 O=Cc1nc2c([nH]1)cccc2 PI-14803 [1,0,0,1,0,0|2,0,0]=4 380 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [1,0,0,1,0,0|0,0,1]=3 381 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 PI-16270 [0,0,0,1,0,1|1,0,1]=4 382 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 PI-10266 [0,0,0,1,0,1|1,0,1]=4 383 B14R2.598 C1=CC=C(C=C1)C2=CC(=O)OC2=O PI-17953 [0,0,0,1,0,1|1,0,1]=4 384 B14R2.598 C1=CC=C(C=C1)C2C(=O)NC(=O)N2 PI-25957 [0,0,0,1,0,1|1,0,0]=3 385 B14R2.598 O=C1CC(C(=O)O1)c2ccccc2 PI-30072 [0,0,0,1,0,1|1,0,0]=3 386 B14R2.768 O=C(O)CC=1NC2=C(C1)C=CC=C2 PI-46717 [0,0,0,1,0,1|1,0,1]=4 387 B14R2.781 C1=CC=C2C(=C1)N=CC(=N2)C(=O)O PI-16186 [0,0,0,1,0,1|1,0,1]=4 388 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O PI-17895 [0,0,0,1,0,1|1,0,1]=4 389 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O PI-17896 [0,0,0,1,0,1|1,0,1]=4 390 B14R2.781 C1C(CNC2=CC=CC=C21)C(=O)O PI-48160 [0,0,0,1,0,1|1,0,1]=4 391 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O PI-12632 [0,0,0,1,0,1|1,0,1]=4 392 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O PI-15460 [0,0,0,1,0,1|1,0,1]=4 393 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O PI-28026 [0,0,0,1,0,1|1,0,1]=4 394 B14R2.781 C1C(OC2=CC=CC=C2O1)C(=O)O PI-11235 [0,0,0,1,0,1|0,0,2]=4 395 B14R2.781 C1CC2=CC=CC=C2CC1C(=O)O PI-17080 [0,0,0,1,0,1|1,0,1]=4 396 B14R2.781 C1[C@@H](OC2=CC=CC=C2O1)C(=O)O PI-48260 [0,0,0,1,0,1|0,0,2]=4 397 B14R2.781 OC(=O)c1ccc2c(n1)cccc2 PI-16485 [0,0,0,1,0,1|1,0,1]=4 398 B14R2.781 OC(=O)c1cnc2c(c1)cccc2 PI-29823 [0,0,0,1,0,1|1,0,1]=4 399 B14R2.4529 Brc1ccc2c(c1)cc([nH]2)C(=O)O PI-10002 [0,1,0,1,0,0|1,0,1]=4 400 B14R2.4529 C1=CC2=C(C=C1Br)C=C(O2)C(=O)O PI-17688 [0,1,0,1,0,0|0,0,2]=4 401 B14R2.4529 C1=CC2=C(C=C1Br)NC(=C2)C(=O)O PI-10007 [0,1,0,1,0,0|1,0,1]=4 402 B14R2.4529 C1=CC2=C(C=C1Br)NC(=N2)C(=O)O PI-47256 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.4529 C1=CC2=C(C=C1Br)SC(=C2)C(=O)O PI-42061 [0,1,0,1,0,0|0,1,1]=4 404 B14R2.4529 C1=CC2=C(C=C1Cl)C=C(O2)C(=O)O PI-23140 [0,1,0,1,0,0|0,0,2]=4 405 B14R2.4529 C1=CC2=C(C=C1O)C=C(N2)C(=O)O PI-10315 [0,1,0,1,0,0|1,0,1]=4 406 B14R2.4529 CC1=CC2=C(C=C1)SC(=C2)C(=O)O PI-29153 [0,1,0,1,0,0|0,1,1]=4 407 B14R2.4529 Clc1ccc2c(c1)[nH]c(c2)C(=O)O PI-10009 [0,1,0,1,0,0|1,0,1]=4 408 B14R2.4529 Clc1ccc2c(c1)cc([nH]2)C(=O)O PI-20324 [0,1,0,1,0,0|1,0,1]=4 409 B14R2.4529 Fc1ccc2[nH]c(cc2c1)C(=O)O PI-21782 [0,1,0,1,0,0|1,0,1]=4 410 B14R2.4529 Fc1ccc2c(c1)[nH]c(c2)C(=O)O PI-22585 [0,1,0,1,0,0|1,0,1]=4 411 B14R2.4529 O=C(C1=CC2=CC(N)=CC=C2O1)O PI-42299 [0,1,0,1,0,0|0,0,2]=4 412 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 PI-12804 [0,1,0,1,0,0|1,0,1]=4 413 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 PI-29365 [0,1,0,1,0,0|0,1,1]=4 414 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)O2)C#N PI-15401 [0,1,0,1,0,0|1,0,1]=4 415 B14R2.8188 C1=CC=C2C(=C1)C(=C(C(=O)N2)Cl)O PI-32633 [0,1,0,1,0,0|2,0,0]=4 416 B14R2.7969 CC1=C2C(=CC=C1)C=C(N2)C(=O)O PI-18274 [0,1,0,1,0,0|1,0,1]=4 417 B14R2.7969 CC1=C2C(=CC=C1)NC(=N2)C(=O)O PI-34760 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)Br)O PI-46704 [0,1,0,1,0,0|1,0,1]=4 419 B14R2.7969 OC(=O)C1=NC2=C(S1)C=CC=C2F PI-34850 [0,1,0,1,0,0|1,1,0]=4 420 B14R2.7969 OC(=O)c1cc2c(C)cccc2[nH]1 PI-22816 [0,1,0,1,0,0|1,0,1]=4 421 B14R2.7969 OC(=O)c1sc2cccc(F)c2c1 PI-23464 [0,1,0,1,0,0|0,1,1]=4 422 B14R2.450 C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl PI-23150 [0,1,0,1,0,0|0,1,1]=4 423 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)O PI-29392 [0,1,0,1,0,0|0,0,2]=4 424 B14R2.450 OC(=O)c1cc2c(n1C)cccc2 PI-18229 [0,1,0,1,0,0|1,0,1]=4 425 B14R2.789 OC(=O)C1(N)Cc2c(C1)cccc2 PI-32203 [0,1,0,1,0,0|1,0,1]=4 426 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [1,0,0,0,1,0|1,0,1]=4 427 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [1,0,0,0,1,0|0,0,0]=2 428 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,0,0,0,1,0|1,0,0]=3 429 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,0,0,0,1,0|2,0,0]=4 430 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,0,0,0,1,0|2,0,0]=4 431 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,0,0,0,1,0|1,0,1]=4 432 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,0,0,0,1,0|0,0,1]=3 433 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,0,0,0,1,0|2,0,0]=4 434 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,0,0,0,1,0|2,0,0]=4 435 B10R1.66 C1=COC=C1C=CC(=O)O PI-17379 [1,0,0,0,1,0|1,0,1]=4 436 B10R1.66 C1=CSC=C1C=CC(=O)O PI-29082 [1,0,0,0,1,0|1,0,1]=4 437 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [1,0,0,0,1,0|1,0,1]=4 438 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [1,0,0,0,1,0|1,0,1]=4 439 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [1,0,0,0,1,0|1,0,1]=4 440 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [1,0,0,0,1,0|1,0,1]=4 441 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [1,0,0,0,1,0|1,0,1]=4 442 B10R1.23 OC(=O)C(=O)c1cccs1 PI-12233 [0,0,0,0,2,0|1,0,0]=3 443 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [1,0,0,0,0,1|0,0,1]=3 444 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [1,0,0,0,0,1|0,0,1]=3 445 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [1,0,0,0,0,1|1,0,1]=4 446 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [1,0,0,0,0,1|1,0,1]=4 447 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [1,0,0,0,0,1|1,0,1]=4 448 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [1,0,0,0,0,1|0,0,1]=3 449 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [1,0,0,0,0,1|0,0,1]=3 450 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [1,0,0,0,0,1|0,0,1]=3 451 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [1,0,0,0,0,1|0,0,2]=4 452 B14R1.423 C1=CC(=CN=C1)NC(=O)CCC(=O)O PI-33857 [0,0,0,0,0,2|2,0,0]=4 453 B14R1.818 C1=CC=C(C=C1)CCC(CC(=O)O)N PI-30154 [0,0,0,0,0,2|1,0,1]=4 454 B14R1.818 C1=CC=C(C=C1)CCC(CC(=O)O)N PI-30979 [0,0,0,0,0,2|1,0,1]=4 455 B14R1.818 C1=CC=C(C=C1)CCC(CC(=O)O)N PI-43664 [0,0,0,0,0,2|1,0,1]=4 456 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 PI-32071 [0,0,0,0,0,2|1,0,0]=3 457 B14R1.818 C\C(N)=C\C(OCC1=CC=CC=C1)=O PI-46645 [0,0,0,0,0,2|2,0,0]=4 458 B14R1.818 O=C(CC(O)=O)OCC1=CC=CC=C1 PI-18524 [0,0,0,0,0,2|0,0,0]=2 459 B14R1.6449 C1=CC=C(C=C1)C=CCC(C(=O)O)N PI-43705 [0,0,0,0,0,2|1,0,1]=4 460 B14R1.6449 C1=CC=C(C=C1)C=CCC(C(=O)O)N PI-43708 [0,0,0,0,0,2|1,0,1]=4 461 B14R1.6449 C1=CC=C(C=C1)CCCC(C(=O)O)N PI-43638 [0,0,0,0,0,2|1,0,1]=4 462 B14R1.6449 C1=CC=C(C=C1)CCCC(C(=O)O)N PI-43831 [0,0,0,0,0,2|1,0,1]=4 463 B14R1.6449 C1=CC=C(C=C1)CNCC(C(=O)O)N PI-14914 [0,0,0,0,0,2|1,0,1]=4 464 B14R1.6449 C1=CC=C(C=C1)COCC(C(=O)O)N PI-44981 [0,0,0,0,0,2|1,0,1]=4 465 B14R1.6449 C1=CC=C(C=C1)CSCC(C(=O)O)N PI-14939 [0,0,0,0,0,2|1,0,1]=4 466 B14R1.6449 NC(C(=O)O)COCc1ccccc1 PI-39180 [0,0,0,0,0,2|1,0,1]=4