0 B13R2.435 B(C1=CC2=CC=CC=C2O1)(O)O PI-14157 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O PI-35441 [0,0,0,0,0,0|1,0,0]=1 2 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O PI-22728 [0,0,0,0,0,0|0,0,0]=0 3 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)Cl PI-14800 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O PI-30651 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)N PI-26819 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O PI-14824 [0,0,0,0,0,0|1,0,0]=1 7 B13R2.435 C1=CC=C2C(=C1)N=C(O2)C(=O)[O-] PI-48150 [0,0,0,0,0,0|1,0,2]=3 8 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-12890 [0,0,0,0,0,0|0,0,2]=2 9 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-22729 [0,0,0,0,0,0|0,0,2]=2 10 B13R2.435 C1C(OC2=CC=CC=C21)C(=O)O PI-19265 [0,0,0,0,0,0|1,0,2]=3 11 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 PI-18361 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 PI-11776 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.435 CC(=O)c1cc2c(o1)cccc2 PI-29182 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.435 CC(C)C1=NC2=CC=CC=C2N1 PI-19739 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C PI-46721 [0,0,0,0,0,0|1,0,0]=1 16 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 PI-26615 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.435 OB(c1cc2c(s1)cccc2)O PI-25991 [0,0,0,0,0,0|2,0,1]=3 18 B13R2.435 OC(=O)[C@@H]1Cc2c(N1)cccc2 PI-10816 [0,0,0,0,0,0|0,0,2]=2 19 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO PI-45001 [1,0,0,0,0,0|0,0,1]=2 20 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O PI-16469 [1,0,0,0,0,0|1,0,0]=2 21 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O PI-29507 [1,0,0,0,0,0|1,0,0]=2 22 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CO PI-20808 [1,0,0,0,0,0|1,0,1]=3 23 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O PI-14166 [1,0,0,0,0,0|1,0,1]=3 24 B12R2.32 C1=CC=C2C(=C1)N=C(S2)CO PI-14167 [1,0,0,0,0,0|1,0,2]=4 25 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CN PI-45223 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CO PI-14787 [1,0,0,0,0,0|1,0,1]=3 27 B12R2.32 C1C(=NO)CC2=CC=CC=C21 PI-13702 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [1,0,0,0,0,0|2,0,1]=4 30 B12R2.32 ClCC1=NC2=CC=CC=C2N1 PI-16189 [1,0,0,0,0,0|2,0,1]=4 31 B12R2.32 N#CC=1NC2=C(C1)C=CC=C2 PI-46707 [1,0,0,0,0,0|1,0,1]=3 32 B12R2.32 NCc1cc2c(s1)cccc2 PI-38175 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.32 O=CC1=CN2C=CC=CC2=N1 PI-41423 [1,0,0,0,0,0|1,0,1]=3 34 B12R2.32 O=Cc1cc2ccccc2[nH]1 PI-31918 [1,0,0,0,0,0|0,0,0]=1 35 B12R2.32 O=Cc1nc2c([nH]1)cccc2 PI-14803 [1,0,0,0,0,0|1,0,0]=2 36 B14R2.450 C1=CC=C2C(=C1)C(=C(S2)C(=O)Cl)Cl PI-23149 [0,1,0,0,0,0|2,0,0]=3 37 B14R2.450 C1=CC=C2C(=C1)C(=C(S2)C(=O)N)Cl PI-29336 [0,1,0,0,0,0|2,0,0]=3 38 B14R2.450 C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl PI-23150 [0,1,0,0,0,0|1,0,0]=2 39 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=N2)N PI-45418 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)O PI-29392 [0,1,0,0,0,0|1,0,0]=2 41 B14R2.450 CC1=C(SC2=CC=CC=C12)C(=O)C PI-26238 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.450 OB(c1cc2c(n1C)cccc2)O PI-18283 [0,1,0,0,0,0|1,0,1]=3 43 B14R2.450 OC(=O)c1cc2c(n1C)cccc2 PI-18229 [0,1,0,0,0,0|0,0,0]=1 44 B14R2.789 OC(=O)C1(N)Cc2c(C1)cccc2 PI-32203 [0,1,0,0,0,0|1,0,2]=4 45 B14R2.972 C1=CC=C2C(=C1)C=C(O2)C(=O)C=O PI-19099 [0,1,0,0,0,0|1,0,1]=3 46 B14R2.972 C1=CC=C2C(=C1)C=C(S2)C(=O)NN PI-26210 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 PI-12804 [0,1,0,0,0,0|0,0,0]=1 48 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 PI-29365 [0,1,0,0,0,0|1,0,0]=2 49 B14R2.3129 CC(C=1NC2=C(C1)C=CC=C2)(C)C PI-46724 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.4529 B(C1=CC2=C(S1)C=CC(=C2)C)(O)O PI-25123 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.4529 Brc1ccc2c(c1)cc([nH]2)C(=O)O PI-10002 [0,1,0,0,0,0|0,0,0]=1 52 B14R2.4529 Brc1ccc2nc(cn2c1)C(=O)O PI-21519 [0,1,0,0,0,0|1,0,1]=3 53 B14R2.4529 C1=CC2=C(C=C1Br)C=C(O2)C(=O)O PI-17688 [0,1,0,0,0,0|1,0,0]=2 54 B14R2.4529 C1=CC2=C(C=C1Br)NC(=C2)C(=O)O PI-10007 [0,1,0,0,0,0|0,0,0]=1 55 B14R2.4529 C1=CC2=C(C=C1Br)NC(=N2)C(=O)O PI-47256 [0,1,0,0,0,0|1,0,0]=2 56 B14R2.4529 C1=CC2=C(C=C1Br)SC(=C2)C(=O)O PI-42061 [0,1,0,0,0,0|1,0,0]=2 57 B14R2.4529 C1=CC2=C(C=C1Cl)C=C(O2)C(=O)O PI-23140 [0,1,0,0,0,0|1,0,0]=2 58 B14R2.4529 C1=CC2=C(C=C1O)C=C(N2)C(=O)O PI-10315 [0,1,0,0,0,0|0,0,0]=1 59 B14R2.4529 CC(=O)C1=CC2=C(O1)C=CC(=C2)Br PI-17063 [0,1,0,0,0,0|2,0,0]=3 60 B14R2.4529 CC1=CC2=C(C=C1)SC(=C2)C(=O)O PI-29153 [0,1,0,0,0,0|1,0,0]=2 61 B14R2.4529 Clc1ccc2c(c1)[nH]c(c2)C(=O)O PI-10009 [0,1,0,0,0,0|0,0,0]=1 62 B14R2.4529 Clc1ccc2c(c1)cc([nH]2)C(=O)O PI-20324 [0,1,0,0,0,0|0,0,0]=1 63 B14R2.4529 Fc1ccc2[nH]c(cc2c1)C(=O)O PI-21782 [0,1,0,0,0,0|0,0,0]=1 64 B14R2.4529 Fc1ccc2c(c1)[nH]c(c2)C(=O)O PI-22585 [0,1,0,0,0,0|0,0,0]=1 65 B14R2.4529 O=C(C1=CC2=CC(N)=CC=C2O1)O PI-42299 [0,1,0,0,0,0|1,0,0]=2 66 B14R2.7969 CC(=O)C1=CC2=C(O1)C(=CC=C2)O PI-26616 [0,1,0,0,0,0|2,0,0]=3 67 B14R2.7969 CC1=C2C(=CC=C1)C=C(N2)C(=O)O PI-18274 [0,1,0,0,0,0|0,0,0]=1 68 B14R2.7969 CC1=C2C(=CC=C1)NC(=N2)C(=O)O PI-34760 [0,1,0,0,0,0|1,0,0]=2 69 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)Br)O PI-46704 [0,1,0,0,0,0|0,0,0]=1 70 B14R2.7969 OC(=O)C1=NC2=C(S1)C=CC=C2F PI-34850 [0,1,0,0,0,0|1,0,1]=3 71 B14R2.7969 OC(=O)c1cc2c(C)cccc2[nH]1 PI-22816 [0,1,0,0,0,0|0,0,0]=1 72 B14R2.7969 OC(=O)c1sc2cccc(F)c2c1 PI-23464 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [0,0,1,0,0,0|1,0,2]=4 74 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,0,1,0,0,0|1,0,0]=2 75 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,0,1,0,0,0|1,0,2]=4 76 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,0,1,0,0,0|1,0,2]=4 77 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,0,1,0,0,0|1,0,2]=4 78 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,0,1,0,0,0|1,0,2]=4 79 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [0,0,1,0,0,0|1,0,2]=4 80 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,0,1,0,0,0|1,0,0]=2 81 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,0,1,0,0,0|2,0,0]=3 82 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,0,1,0,0,0|1,0,0]=2 83 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,0,1,0,0,0|1,0,2]=4 84 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,0,1,0,0,0|0,0,2]=3 86 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [0,0,1,0,0,0|1,0,2]=4 87 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [0,0,1,0,0,0|1,0,2]=4 88 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,0,1,0,0,0|1,0,1]=3 89 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [0,0,1,0,0,0|1,0,2]=4 90 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [0,0,1,0,0,0|1,0,2]=4 91 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,0,1,0,0,0|1,0,2]=4 92 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [0,0,1,0,0,0|2,0,0]=3 93 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [0,0,1,0,0,0|1,0,0]=2 94 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [0,0,1,0,0,0|1,0,0]=2 95 B12R1.125 C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl PI-30466 [0,0,1,0,0,0|2,0,1]=4 96 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,0,1,0,0,0|1,0,2]=4 97 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,0,1,0,0,0|1,0,2]=4 98 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,0,1,0,0,0|1,0,2]=4 99 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,0,1,0,0,0|2,0,1]=4 100 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,0,1,0,0,0|1,0,2]=4 101 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,0,1,0,0,0|1,0,2]=4 102 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,0,1,0,0,0|1,0,0]=2 103 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,0,1,0,0,0|1,0,2]=4 104 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [0,0,1,0,0,0|1,0,0]=2 105 B12R2.252 OC(=O)c1sc2c(c1)scc2 PI-24150 [0,0,0,0,1,0|2,0,0]=3 106 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,0,0,0,1,0|0,0,2]=3 107 B14R2.768 C1=CC=C2C(=C1)NC(=N2)N=C(N)N PI-16547 [0,0,0,0,0,1|3,0,0]=4 108 B14R2.768 O=C(O)CC=1NC2=C(C1)C=CC=C2 PI-46717 [0,0,0,0,0,1|0,0,0]=1 109 B14R2.781 C1=CC2=C(C=C1)C=C(C=C2)B(O)O PI-28376 [0,0,0,0,0,1|2,0,1]=4 110 B14R2.781 C1=CC=C2C(=C1)C=C(C=N2)[N+](=O)[O-] PI-13193 [0,0,0,0,0,1|1,0,2]=4 111 B14R2.781 C1=CC=C2C(=C1)C=CC(=N2)C(=O)[O-] PI-29193 [0,0,0,0,0,1|0,0,2]=3 112 B14R2.781 C1=CC=C2C(=C1)N=CC(=N2)C(=O)O PI-16186 [0,0,0,0,0,1|0,0,1]=2 113 B14R2.781 C1=CC=C2C=C(C=CC2=C1)C(=O)Cl PI-11873 [0,0,0,0,0,1|2,0,0]=3 114 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O PI-17895 [0,0,0,0,0,1|0,0,1]=2 115 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O PI-17896 [0,0,0,0,0,1|0,0,1]=2 116 B14R2.781 C1C(CNC2=CC=CC=C21)C(=O)O PI-48160 [0,0,0,0,0,1|0,0,2]=3 117 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)N PI-33952 [0,0,0,0,0,1|1,0,2]=4 118 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O PI-12632 [0,0,0,0,0,1|0,0,2]=3 119 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O PI-15460 [0,0,0,0,0,1|0,0,2]=3 120 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O PI-28026 [0,0,0,0,0,1|0,0,2]=3 121 B14R2.781 C1C(OC2=CC=CC=C2O1)C(=O)O PI-11235 [0,0,0,0,0,1|1,0,2]=4 122 B14R2.781 C1CC2=CC=CC=C2CC1C(=O)O PI-17080 [0,0,0,0,0,1|1,0,2]=4 123 B14R2.781 C1[C@@H](OC2=CC=CC=C2O1)C(=O)O PI-48260 [0,0,0,0,0,1|1,0,2]=4 124 B14R2.781 CC(=O)c1ccc2c(n1)cccc2 PI-39175 [0,0,0,0,0,1|1,0,1]=3 125 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)O PI-18428 [0,0,0,0,0,1|2,0,1]=4 126 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)O PI-25544 [0,0,0,0,0,1|2,0,1]=4 127 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)O PI-32012 [0,0,0,0,0,1|2,0,1]=4 128 B14R2.781 O=C(N)C1=CC=C2C=CC=CC2=C1 PI-18356 [0,0,0,0,0,1|2,0,0]=3 129 B14R2.781 O=[N+](C1=CC=C2C=CC=CC2=C1)[O-] PI-25705 [0,0,0,0,0,1|2,0,1]=4 130 B14R2.781 OB(c1ccc2c(n1)cccc2)O PI-32953 [0,0,0,0,0,1|1,0,2]=4 131 B14R2.781 OB(c1cnc2c(c1)cccc2)O PI-25286 [0,0,0,0,0,1|1,0,2]=4 132 B14R2.781 OC(=O)c1ccc2c(n1)cccc2 PI-16485 [0,0,0,0,0,1|0,0,1]=2 133 B14R2.781 OC(=O)c1ccc2c(n1)ccnc2 PI-14583 [0,0,0,0,0,1|1,0,1]=3 134 B14R2.781 OC(=O)c1ccc2cccnc2n1 PI-14584 [0,0,0,0,0,1|1,0,1]=3 135 B14R2.781 OC(=O)c1ccc2ncccc2c1 PI-16198 [0,0,0,0,0,1|2,0,0]=3 136 B14R2.781 OC(=O)c1cnc2c(c1)cccc2 PI-29823 [0,0,0,0,0,1|0,0,1]=2 137 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [1,0,1,0,0,0|1,0,0]=3 138 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [1,0,1,0,0,0|0,0,1]=3 139 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [1,0,1,0,0,0|0,0,1]=3 140 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [1,0,1,0,0,0|1,0,1]=4 141 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [1,0,1,0,0,0|2,0,0]=4 142 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [1,0,1,0,0,0|1,0,0]=3 143 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [1,0,1,0,0,0|1,0,1]=4 144 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [1,0,1,0,0,0|0,0,2]=4 145 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [1,0,1,0,0,0|1,0,0]=3 146 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [1,0,1,0,0,0|1,0,0]=3 147 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [1,0,1,0,0,0|1,0,0]=3 148 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [1,0,1,0,0,0|0,0,2]=4 149 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [1,0,1,0,0,0|1,0,1]=4 150 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [1,0,1,0,0,0|1,0,0]=3 151 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [1,0,1,0,0,0|1,0,0]=3 152 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [2,0,0,0,0,0|2,0,0]=4 153 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [2,0,0,0,0,0|2,0,0]=4 154 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br PI-40410 [2,0,0,0,0,0|2,0,0]=4 155 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [2,0,0,0,0,0|1,1,0]=4 156 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [2,0,0,0,0,0|1,1,0]=4 157 B11R2.10 C1=CN=CC2=C1NC(=O)N2 PI-47254 [2,0,0,0,0,0|2,0,0]=4 158 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [2,0,0,0,0,0|1,0,1]=4 159 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [2,0,0,0,0,0|2,0,0]=4 160 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [2,0,0,0,0,0|1,0,1]=4 161 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [2,0,0,0,0,0|0,0,1]=3 162 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [2,0,0,0,0,0|1,0,1]=4 163 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [2,0,0,0,0,0|1,0,1]=4 164 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [2,0,0,0,0,0|2,0,0]=4 165 B11R2.10 Ic1cc2c(s1)cccc2 PI-38228 [2,0,0,0,0,0|2,0,0]=4 166 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [2,0,0,0,0,0|2,0,0]=4 167 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [2,0,0,0,0,0|0,0,1]=3 168 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [2,0,0,0,0,0|1,0,1]=4 169 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [2,0,0,0,0,0|1,0,0]=3 170 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [2,0,0,0,0,0|1,0,0]=3 171 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [2,0,0,0,0,0|1,0,0]=3 172 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [0,1,1,0,0,0|0,0,2]=4 173 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [0,1,1,0,0,0|0,0,2]=4 174 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [0,1,1,0,0,0|0,0,2]=4 175 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [0,1,1,0,0,0|0,0,2]=4 176 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [0,1,1,0,0,0|0,0,2]=4 177 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [0,1,1,0,0,0|0,0,2]=4 178 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [0,1,1,0,0,0|0,0,2]=4 179 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [0,1,1,0,0,0|0,0,2]=4 180 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [0,1,1,0,0,0|0,0,2]=4 181 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [0,1,1,0,0,0|0,0,2]=4 182 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [0,1,1,0,0,0|0,0,2]=4 183 B13R1.133 C1=CC(=CC=C1N)NC(=O)C(=O)O PI-30042 [0,1,1,0,0,0|1,0,0]=3 184 B13R1.133 CC(=CC1=CC=C(C=C1)F)C(=O)O PI-36345 [0,1,1,0,0,0|1,0,0]=3 185 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [0,1,1,0,0,0|0,0,2]=4 186 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [0,1,1,0,0,0|0,0,2]=4 187 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [0,1,1,0,0,0|0,0,2]=4 188 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [0,1,1,0,0,0|0,0,2]=4 189 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [0,1,1,0,0,0|0,0,2]=4 190 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [0,1,1,0,0,0|0,0,2]=4 191 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [0,1,1,0,0,0|0,0,2]=4 192 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [0,1,1,0,0,0|0,0,2]=4 193 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [0,1,1,0,0,0|0,0,2]=4 194 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [0,1,1,0,0,0|1,0,0]=3 195 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,1,1,0,0,0|0,0,2]=4 196 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,1,1,0,0,0|0,0,2]=4 197 B13R1.148 C1=CC(=CC(=C1)Br)CC(C(=O)O)N PI-43732 [0,1,1,0,0,0|0,0,2]=4 198 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43882 [0,1,1,0,0,0|0,0,2]=4 199 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43883 [0,1,1,0,0,0|0,0,2]=4 200 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14973 [0,1,1,0,0,0|0,0,2]=4 201 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14974 [0,1,1,0,0,0|0,0,2]=4 202 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-30399 [0,1,1,0,0,0|0,0,2]=4 203 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43208 [0,1,1,0,0,0|0,0,2]=4 204 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43420 [0,1,1,0,0,0|0,0,2]=4 205 B13R1.148 OC(=O)C(N)Cc1cccc(O)c1 PI-27906 [0,1,1,0,0,0|0,0,2]=4 206 B13R1.152 CC(C1=CC=CC=C1)C(C(=O)O)N PI-30943 [0,1,1,0,0,0|0,0,2]=4 207 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25400 [0,1,1,0,0,0|0,0,2]=4 208 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25557 [0,1,1,0,0,0|0,0,2]=4 209 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43385 [0,1,1,0,0,0|0,0,2]=4 210 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43881 [0,1,1,0,0,0|0,0,2]=4 211 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14971 [0,1,1,0,0,0|0,0,2]=4 212 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14972 [0,1,1,0,0,0|0,0,2]=4 213 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-27404 [0,1,1,0,0,0|0,0,2]=4 214 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)O PI-27375 [0,1,1,0,0,0|0,0,2]=4 215 B13R1.202 CC1=CC=CC=C1CC(C(=O)O)N PI-43884 [0,1,1,0,0,0|0,0,2]=4 216 B13R1.202 OC(=O)[C@@H](Cc1ccccc1C)N PI-39411 [0,1,1,0,0,0|0,0,2]=4 217 B13R1.418 C1=CC(=CN=C1)C=C(C#N)C(=O)O PI-20314 [0,1,1,0,0,0|1,0,1]=4 218 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,1,1,0,0,0|0,0,2]=4 219 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14932 [0,1,1,0,0,0|0,0,2]=4 220 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14933 [0,1,1,0,0,0|0,0,2]=4 221 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C PI-30075 [0,1,1,0,0,0|0,0,2]=4 222 B13R1.90 C1=CC=C(C(=C1)C=CC(=O)O)C=O PI-12905 [0,1,1,0,0,0|1,0,0]=3 223 B13R1.90 COC1=CC=CC=C1C=CC(=O)O PI-25170 [0,1,1,0,0,0|1,0,0]=3 224 B13R1.150 C1=CC(=C(C(=C1)F)F)C=CC(=O)O PI-21156 [0,1,1,0,0,0|1,0,0]=3 225 B13R1.164 C1=CC(=C(C=C1Br)F)C=CC(=O)O PI-28168 [0,1,1,0,0,0|1,0,0]=3 226 B13R1.164 C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O PI-25087 [0,1,1,0,0,0|1,0,0]=3 227 B13R1.164 C1=CC(=C(C=C1F)Br)C=CC(=O)O PI-21447 [0,1,1,0,0,0|1,0,0]=3 228 B13R1.164 C1=CC(=C(C=C1F)Cl)C=CC(=O)O PI-17321 [0,1,1,0,0,0|1,0,0]=3 229 B13R1.164 C1=CC(=C(C=C1F)F)C=CC(=O)O PI-21157 [0,1,1,0,0,0|1,0,0]=3 230 B13R1.164 ClC(=O)\C=C\c1ccc(Br)cc1F PI-21475 [0,1,1,0,0,0|2,0,0]=4 231 B13R1.164 OC(=O)\C=C\c1ccc(Cl)cc1F PI-10439 [0,1,1,0,0,0|1,0,0]=3 232 B13R1.893 C1=CC(=C(C=C1Br)C=CC(=O)O)F PI-21449 [0,1,1,0,0,0|1,0,0]=3 233 B13R1.893 C1=CC(=C(C=C1F)C=CC(=O)O)Br PI-34467 [0,1,1,0,0,0|1,0,0]=3 234 B13R1.893 C1=CC(=C(C=C1F)C=CC(=O)O)F PI-21158 [0,1,1,0,0,0|1,0,0]=3 235 B13R1.3787 C1=CC(=C(C(=C1)Cl)C=CC(=O)O)Cl PI-25649 [0,1,1,0,0,0|1,0,0]=3 236 B13R1.3787 C1=CC(=C(C(=C1)Cl)C=CC(=O)O)F PI-20086 [0,1,1,0,0,0|1,0,0]=3 237 B13R1.3787 C1=CC(=C(C(=C1)F)C=CC(=O)O)F PI-10641 [0,1,1,0,0,0|1,0,0]=3 238 B13R1.3787 CC(=O)C=CC1=C(C=CC=C1Cl)F PI-17047 [0,1,1,0,0,0|2,0,0]=4 239 B13R2.26 OCCc1nc2c([nH]1)cccc2 PI-11708 [1,1,0,0,0,0|1,0,1]=4 240 B13R2.43 C1=CC2=C(C=C1Br)NC(=C2)C=O PI-50071 [1,1,0,0,0,0|0,0,0]=2 241 B13R2.43 CC1=CC2=C(C=C1)SC(=C2)CO PI-29366 [1,1,0,0,0,0|1,0,1]=4 242 B13R2.43 N#CC=1NC2=C(C1)C=CC(=C2)Br PI-46776 [1,1,0,0,0,0|1,0,1]=4 243 B13R2.45 CC1=C(SC2=CC=CC=C12)C=O PI-29352 [1,1,0,0,0,0|1,0,0]=3 244 B13R2.54 N#CC=1NC2=C(C1)C(=CC=C2)Cl PI-46786 [1,1,0,0,0,0|1,0,1]=4 245 B13R2.531 COC(=O)C1=CC2=C(S1)C=CS2 PI-42062 [0,1,0,0,1,0|2,0,0]=4 246 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC PI-40939 [0,1,0,0,1,0|0,0,2]=4 247 B15R2.629 CC1=C(SC2=CC=CC=C12)CC(=O)O PI-26155 [0,1,0,0,0,1|1,0,0]=3 248 B15R2.627 C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O PI-44172 [0,1,0,0,0,1|0,0,0]=2 249 B15R2.627 C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-] PI-34819 [0,1,0,0,0,1|1,0,1]=4 250 B15R2.627 C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O PI-15381 [0,1,0,0,0,1|1,0,0]=3 251 B15R2.627 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O PI-34008 [0,1,0,0,0,1|1,0,0]=3 252 B15R2.627 CC(=O)c1ccc2c(c1O)cccc2 PI-25806 [0,1,0,0,0,1|2,0,0]=4 253 B15R2.627 OC(=O)c1cnc2c(c1O)cccc2 PI-31573 [0,1,0,0,0,1|0,0,1]=3 254 B15R2.984 C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)O PI-24596 [0,1,0,0,0,1|0,0,1]=3 255 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O PI-29553 [0,1,0,0,0,1|2,0,0]=4 256 B15R2.984 CC(=O)c1cc2cnccc2[nH]c1=O PI-14045 [0,1,0,0,0,1|2,0,0]=4 257 B15R2.984 Nc1cc2ccccc2cc1C(O)=O PI-31239 [0,1,0,0,0,1|1,0,0]=3 258 B15R2.984 OC(=O)c1cc2cccnc2nc1C PI-24701 [0,1,0,0,0,1|1,0,1]=4 259 B15R2.984 OC(=O)c1cc2cnccc2nc1C PI-13684 [0,1,0,0,0,1|1,0,1]=4 260 B15R2.1601 C1=CC=C2C=C(C=CC2=C1)C(=O)CBr PI-25736 [0,1,0,0,0,1|2,0,0]=4 261 B15R2.1601 C1=CC=C2C=C(C=CC2=C1)C(=O)NN PI-14570 [0,1,0,0,0,1|2,0,0]=4 262 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=C1 PI-18386 [0,1,0,0,0,1|1,0,0]=3 263 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 PI-30409 [0,1,0,0,0,1|0,0,1]=3 264 B15R2.1601 COC(=O)C1CC2=CC=CC=C2CN1 PI-17086 [0,1,0,0,0,1|0,0,2]=4 265 B15R2.1601 COC(=O)c1ccc2cnccc2n1 PI-24689 [0,1,0,0,0,1|1,0,1]=4 266 B15R2.4441 OS(=O)(=O)c1ccc2ccccc2c1 PI-32153 [0,1,0,0,0,1|2,0,0]=4 267 B15R2.7174 C1=CC(=CC2=C1C=CC(=C2)Br)C(=O)O PI-49008 [0,1,0,0,0,1|1,0,0]=3 268 B15R2.7174 C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)Cl PI-23146 [0,1,0,0,0,1|2,0,0]=4 269 B15R2.7174 C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)O PI-23147 [0,1,0,0,0,1|1,0,0]=3 270 B15R2.7174 C1C(NCC2=C1C=C(C=C2)O)C(=O)O PI-17760 [0,1,0,0,0,1|0,0,2]=4 271 B15R2.7180 Brc1ccc2cc(ccc2c1)C(=O)O PI-10316 [0,1,0,0,0,1|1,0,0]=3 272 B15R2.7180 C1C(NCC2=C1C=CC(=C2)O)C(=O)O PI-34639 [0,1,0,0,0,1|0,0,2]=4 273 B15R2.7180 CC1=NC2=C(C=C1)C=C(C=C2)C(=O)O PI-32942 [0,1,0,0,0,1|2,0,0]=4 274 B15R2.7180 Clc1ccc2cc(ncc2c1)C(=O)O PI-36231 [0,1,0,0,0,1|0,0,1]=3 275 B15R2.7180 Nc1ccc2c(c1)ccc(c2)C(=O)O PI-30081 [0,1,0,0,0,1|1,0,0]=3 276 B15R2.7180 O=C(C1=CC=2C=CC(=O)OC2C=C1)O PI-40145 [0,1,0,0,0,1|2,0,0]=4 277 B15R2.7180 Oc1ccc2cc(ccc2c1)C(=O)O PI-13155 [0,1,0,0,0,1|1,0,0]=3 278 B15R2.7180 Oc1ccc2cc(ccc2n1)C(=O)O PI-36235 [0,1,0,0,0,1|2,0,0]=4 279 B15R2.13598 C1=CC2=C(C=CN=C2C=C1C(=O)O)Cl PI-50064 [0,1,0,0,0,1|2,0,0]=4 280 B15R2.13598 C1=CC2=CC(=CN=C2C(=C1)F)C(=O)O PI-48869 [0,1,0,0,0,1|0,0,1]=3 281 B15R2.13598 O=C(C1=CC2=C(C(O)=NC=C2)C=C1)O PI-39583 [0,1,0,0,0,1|2,0,0]=4 282 B15R2.14951 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O PI-28580 [0,1,0,0,0,1|1,0,0]=3 283 B15R2.14951 OC(=O)c1cc(O)c2ccccc2n1 PI-29625 [0,1,0,0,0,1|0,0,1]=3 284 B15R2.61353 C1=CC(=NC2=C(C=NC=C21)Br)C(=O)O PI-22188 [0,1,0,0,0,1|1,0,1]=4 285 B15R2.61353 OC(=O)c1ccc2cccc(O)c2n1 PI-29162 [0,1,0,0,0,1|0,0,1]=3 286 B15R2.630 C1=CC=C2C(=C1)N=C(N2N)S(=O)(=O)O PI-17127 [0,2,0,0,0,0|2,0,0]=4 287 B15R2.1592 C1=CC=C2C(=C1)C(=C(S2)C(=O)NN)Cl PI-23151 [0,2,0,0,0,0|2,0,0]=4 288 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)Cl PI-26290 [0,2,0,0,0,0|1,0,0]=3 289 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)O PI-29112 [0,2,0,0,0,0|1,0,0]=3 290 B15R2.1592 COC(=O)c1[nH]c2c(c1O)cccc2 PI-27473 [0,2,0,0,0,0|0,0,0]=2 291 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)C PI-26697 [0,2,0,0,0,0|2,0,0]=4 292 B15R2.7203 CN1C(=CC2=C1C=C(C=C2)Br)C(=O)O PI-50041 [0,2,0,0,0,0|0,0,0]=2 293 B15R2.14758 Brc1ccc2c(c1)sc(C(=O)O)c2Cl PI-20617 [0,2,0,0,0,0|1,0,0]=3 294 B15R2.14758 O=C(C1=C(Br)N2C=CC(C)=CC2=N1)O PI-46818 [0,2,0,0,0,0|1,0,1]=4 295 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2N1 PI-10020 [0,2,0,0,0,0|0,0,0]=2 296 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2O1 PI-19436 [0,2,0,0,0,0|1,0,0]=3 297 B15R2.1356 CCOC(=O)c1cc2c([nH]1)ccnc2 PI-39285 [0,2,0,0,0,0|1,0,0]=3 298 B15R2.1590 COC(=O)C1=CC2=C(N1)C=C(C=C2)Br PI-50042 [0,2,0,0,0,0|0,0,0]=2 299 B15R2.1590 COC(=O)C1=CC2=C(S1)C=CC(=C2)Br PI-29886 [0,2,0,0,0,0|1,0,0]=3 300 B15R2.1590 COC(=O)C1=CC2=C(S1)C=CC(=C2)N PI-35075 [0,2,0,0,0,0|1,0,0]=3 301 B15R2.1598 O=C(C=1NC2=C(C1)C(=CC=C2)Br)OC PI-46699 [0,2,0,0,0,0|0,0,0]=2 302 B15R2.1598 O=C(C=1NC2=C(C1)C(=CC=C2)Cl)OC PI-46787 [0,2,0,0,0,0|0,0,0]=2 303 B15R2.1598 O=C(C=1SC2=C(C1)C(=CN=C2)Br)OC PI-41110 [0,2,0,0,0,0|2,0,0]=4 304 B15R2.1102 C1=C2C=C(NC2=CC(=C1F)F)C(=O)O PI-20333 [0,2,0,0,0,0|0,0,0]=2 305 B15R2.4834 B(C1=CC2=C(N1)C=CC(=C2)C#N)(O)O PI-18952 [0,2,0,0,0,0|1,0,1]=4 306 B15R2.4834 COC1=CC2=C(C=C1)C=C(N2)C(=O)O PI-22804 [0,2,0,0,0,0|0,0,0]=2 307 B15R2.4834 COc1ccc2[nH]c(cc2c1)C(=O)O PI-22800 [0,2,0,0,0,0|0,0,0]=2 308 B15R2.4834 COc1ccc2c(c1)cc(o2)C(=O)O PI-17718 [0,2,0,0,0,0|1,0,0]=3 309 B15R2.15633 C1=C(C=C(C2=C1NC(=C2)C(=O)O)Cl)Cl PI-18048 [0,2,0,0,0,0|0,0,0]=2 310 B15R2.15633 C1=C(C=C(C2=C1NC(=C2)C(=O)O)F)F PI-20343 [0,2,0,0,0,0|0,0,0]=2 311 B15R2.20824 COC1=CC=CC2=C1C=C(N2)C(=O)O PI-18058 [0,2,0,0,0,0|0,0,0]=2 312 B15R2.20824 COC1=CC=CC2=C1OC(=C2)C(=O)O PI-29618 [0,2,0,0,0,0|1,0,0]=3 313 B15R2.20824 COC1=CC=CN2C1=NC(=C2)C(=O)O PI-45238 [0,2,0,0,0,0|1,0,1]=4 314 B15R2.20824 COc1cccc2c1oc(c2)C(=O)C PI-26636 [0,2,0,0,0,0|2,0,0]=4 315 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [0,0,1,1,0,0|1,0,0]=3 316 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [0,0,1,1,0,0|2,0,0]=4 317 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [0,0,1,1,0,0|2,0,0]=4 318 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [0,0,1,1,0,0|0,0,0]=2 319 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [0,0,1,1,0,0|2,0,0]=4 320 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [0,0,1,1,0,0|2,0,0]=4 321 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 PI-37296 [0,0,1,1,0,0|2,0,0]=4 322 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [0,0,1,1,0,0|1,0,0]=3 323 B13R2.72 C1=CC=C2C(=C1)C(=CS2)C(=O)O PI-14248 [0,0,1,1,0,0|2,0,0]=4 324 B13R2.72 OC(=O)c1c[nH]c2c1cccc2 PI-22764 [0,0,1,1,0,0|2,0,0]=4 325 B13R2.72 OC(=O)c1cnc2n1cccc2 PI-39083 [0,0,1,1,0,0|1,0,0]=3 326 B13R2.72 OC(=O)c1n[nH]c2c1cccc2 PI-10443 [0,0,1,1,0,0|1,0,1]=4 327 B13R2.430 C1=CC2=C(C=CN2)C=C1C(=O)O PI-22773 [0,0,1,1,0,0|2,0,0]=4 328 B13R2.430 C1=CC2=C(C=CO2)C=C1C(=O)O PI-17138 [0,0,1,1,0,0|2,0,0]=4 329 B13R2.430 OC(=O)C1=CC2=C(C=CO2)C=C1 PI-41286 [0,0,1,1,0,0|2,0,0]=4 330 B13R2.430 OC(=O)c1ccc2c(c1)[nH]cc2 PI-22785 [0,0,1,1,0,0|2,0,0]=4 331 B13R2.5569 C1=CC(=C2C=CNC2=C1)C(=O)O PI-22772 [0,0,1,1,0,0|2,0,0]=4 332 B13R2.5569 C1=CC2=C(C(=C1)C(=O)O)OC=C2 PI-45419 [0,0,1,1,0,0|2,0,0]=4 333 B13R2.5569 OC(=O)c1cccc2cc[nH]c12 PI-10771 [0,0,1,1,0,0|2,0,0]=4 334 B13R2.5569 OC(=O)c1cccc2nccn12 PI-36395 [0,0,1,1,0,0|1,0,0]=3 335 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,0,1,0,1,0|1,0,1]=4 336 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,0,1,0,1,0|0,0,1]=3 337 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,0,1,0,1,0|1,0,1]=4 338 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,0,1,0,1,0|1,0,1]=4 339 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,0,1,0,1,0|0,0,0]=2 340 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,0,1,0,1,0|0,0,2]=4 341 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,0,1,0,1,0|0,0,2]=4 342 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,0,1,0,1,0|0,0,2]=4 343 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,0,1,0,1,0|1,0,1]=4 344 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,0,1,0,1,0|1,0,1]=4 345 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,0,1,0,1,0|2,0,0]=4 346 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,0,1,0,1,0|1,0,0]=3 347 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,0,1,0,1,0|1,0,1]=4 348 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,0,1,0,1,0|1,0,1]=4 349 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,0,1,0,1,0|1,0,1]=4 350 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,0,1,0,1,0|1,0,1]=4 351 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,0,1,0,1,0|2,0,0]=4 352 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,0,1,0,1,0|2,0,0]=4 353 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,0,1,0,1,0|2,0,0]=4 354 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,0,1,0,1,0|2,0,0]=4 355 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,0,1,0,1,0|0,0,2]=4 356 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,0,1,0,1,0|1,0,1]=4 357 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,0,1,0,1,0|1,0,1]=4 358 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,0,1,0,1,0|1,0,1]=4 359 B13R1.348 C1=CC=C(C=C1)OC(=O)CC(=O)O PI-18496 [0,0,1,0,0,1|2,0,0]=4 360 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PI-17442 [0,0,1,0,0,1|2,0,0]=4 361 B13R1.348 OC(=O)C[C@@H](N)Cc1ccccc1 PI-13008 [0,0,1,0,0,1|0,0,2]=4 362 B13R1.348 OC(=O)C[C@H](N)Cc1ccccc1 PI-13007 [0,0,1,0,0,1|0,0,2]=4 363 B13R1.351 C1=C(CCC(C(O)=O)N)C=CC=C1 PI-16082 [0,0,1,0,0,1|0,0,2]=4 364 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [0,0,1,0,0,1|1,0,1]=4 365 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-14962 [0,0,1,0,0,1|0,0,2]=4 366 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-18071 [0,0,1,0,0,1|0,0,2]=4 367 B13R1.351 C1=CC=C(C=C1)SCC(C(=O)O)N PI-14285 [0,0,1,0,0,1|0,0,2]=4 368 B13R1.351 NC(C(=O)O)CCc1ccccc1 PI-26025 [0,0,1,0,0,1|0,0,2]=4 369 B13R2.57 C1=CC=C2C(=C1)C=C(C=N2)C=O PI-29125 [1,0,0,0,0,1|0,0,1]=3 370 B13R2.57 C1=CC=C2C(=C1)C=CC(=N2)CO PI-29257 [1,0,0,0,0,1|0,0,2]=4 371 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 PI-25858 [1,0,0,0,0,1|2,0,0]=4 372 B13R2.57 O=Cc1ccc2c(c1)cccc2 PI-11868 [1,0,0,0,0,1|1,0,0]=3 373 B13R2.57 O=Cc1ccc2c(n1)cccc2 PI-11880 [1,0,0,0,0,1|0,0,1]=3 374 B13R2.57 O=Cc1ccc2ncccc2c1 PI-32941 [1,0,0,0,0,1|2,0,0]=4 375 B13R2.57 OCc1ccc2ccccc2c1 PI-11869 [1,0,0,0,0,1|1,0,1]=4 376 B15R2.1660 C1=CC=C2C(=C1)NC(=N2)SCC(=O)O PI-14789 [0,0,0,0,0,2|1,0,0]=3 377 B15R2.1668 C1=CC=C2C=C(C=CC2=C1)CC(=O)Cl PI-14532 [0,0,0,0,0,2|2,0,0]=4 378 B15R2.1668 C1=CC=C2C=C(C=CC2=C1)CC(=O)O PI-11870 [0,0,0,0,0,2|1,0,0]=3 379 B15R2.1668 CC(=O)NC1=CC2=CC=CC=C2C=C1 PI-18030 [0,0,0,0,0,2|2,0,0]=4 380 B15R2.1668 CC(=O)OC1=CC2=CC=CC=C2C=C1 PI-26164 [0,0,0,0,0,2|2,0,0]=4