0 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O H58200 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.35 c1cc(sc1)C[C@@H](C(=O)O)N H63316 [0,0,1,0,0,0|0,0,2]=3 2 B11R1.35 c1cc(sc1)C[C@H](C(=O)O)N H63681 [0,0,1,0,0,0|0,0,2]=3 3 B13R2.430 CC(=O)c1cc2cc[nH]c2nc1 H33923 [0,0,0,0,0,1|3,0,0]=4 4 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O L16019 [0,0,0,0,0,1|2,0,0]=3 5 B13R2.430 c1cc2c(cc1C(=O)N)scn2 H34216 [0,0,0,0,0,1|3,0,0]=4 6 B13R2.430 c1cc2c(cc1C(=O)O)cn[nH]2 H32535 [0,0,0,0,0,1|3,0,0]=4 7 B13R2.430 c1cc2c(cc1C(=O)O)nc[nH]2 A15980 [0,0,0,0,0,1|3,0,0]=4 8 B13R2.430 c1cc2c(cc1C(=O)O)scn2 H31868 [0,0,0,0,0,1|2,0,0]=3 9 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O A18627 [0,0,0,0,0,1|2,0,0]=3 10 B13R2.430 c1cc2nccn2cc1C(=O)O H33128 [0,0,0,0,0,1|3,0,0]=4 11 B13R2.435 CC(=O)c1cc2ccccc2o1 L13771 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.435 CC(=O)c1cc2ccccc2s1 B21173 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.435 c1cc2c(cc(o2)C(=O)O)nc1 H34400 [0,0,0,0,0,1|2,0,0]=3 14 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O B25450 [0,0,0,0,0,1|1,0,2]=4 15 B13R2.435 c1ccc2c(c1)C[C@@H](N2)C(=O)O H27626 [0,0,0,0,0,1|1,0,2]=4 16 B13R2.435 c1ccc2c(c1)C[C@H](N2)C(=O)O H27009 [0,0,0,0,0,1|1,0,2]=4 17 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A18690 [0,0,0,0,0,1|1,0,0]=2 18 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O A15579 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)Cl L08140 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N A12292 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O A12471 [0,0,0,0,0,1|2,0,0]=3 22 B13R2.435 c1ccn2cc(nc2c1)C(=O)O H35025 [0,0,0,0,0,1|2,0,1]=4 23 B10R1.27 C\C(=C/c1ccco1)\C=O A10125 [1,0,1,0,0,0|1,1,0]=4 24 B10R1.27 c1cc(sc1)C\C(=N\O)\N H58358 [1,0,1,0,0,0|1,0,1]=4 25 B10R1.66 CC(=O)\C=C\c1ccco1 A19456 [1,0,1,0,0,0|1,1,0]=4 26 B10R1.66 CC(=O)\C=C\c1cccs1 B25191 [1,0,1,0,0,0|1,0,0]=3 27 B10R1.66 c1cc(oc1)\C=C\C(=O)O B21653 [1,0,1,0,0,0|0,1,0]=3 28 B10R1.66 c1cc(sc1)\C=C\C(=O)O A10342 [1,0,1,0,0,0|0,0,0]=2 29 B10R1.66 c1cocc1\C=C\C(=O)O L13143 [1,0,1,0,0,0|1,1,0]=4 30 B10R1.66 c1cscc1\C=C\C(=O)O B25017 [1,0,1,0,0,0|1,0,0]=3 31 B14R2.601 c1cc2c(cc1C(=O)O)sc(n2)N H31512 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.966 COC(=O)c1ccc2c(c1)cc[nH]2 L16228 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.966 COC(=O)c1ccc2cc[nH]c2c1 L16020 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.8824 c1c[nH]c2c1c(cc(c2)C(=O)O)O H63236 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.450 Cc1c2ccccc2oc1C(=O)O B21044 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.450 Cc1c2ccccc2sc1C(=O)O B24624 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Cl L01257 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.972 COC(=O)c1cc2c([nH]1)cccn2 H34321 [0,1,0,0,0,1|1,0,0]=3 39 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 H66609 [0,1,0,0,0,1|1,0,0]=3 40 B14R2.972 COC(=O)c1cc2ccccc2s1 A13769 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O L17145 [0,1,0,0,0,1|1,0,0]=3 42 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br H63799 [0,1,0,0,0,1|1,0,0]=3 43 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl H66864 [0,1,0,0,0,1|1,0,0]=3 44 B14R2.4529 c1cc(nc2c1[nH]c(c2)C(=O)O)Cl H33628 [0,1,0,0,0,1|1,0,0]=3 45 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O H66396 [0,1,0,0,0,1|1,0,0]=3 46 B14R2.4529 c1cc2c(cc1Cl)[nH]c(n2)C(=O)O H58648 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.4529 c1cc2c(cc1Cl)cc([nH]2)C(=O)O A18626 [0,1,0,0,0,1|1,0,0]=3 48 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O H50239 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O A12794 [0,1,0,0,0,1|1,0,0]=3 50 B14R2.4529 c1cc2c(cc1F)cc(s2)C(=O)O H33239 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.4529 c1cc2c(cc1O)cc([nH]2)C(=O)O L00786 [0,1,0,0,0,1|1,0,0]=3 52 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Cl H33015 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.23 c1cc(sc1)C(=O)C(=O)O L05153 [0,0,1,0,1,0|1,0,0]=3 54 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [0,0,1,0,0,1|2,0,0]=4 55 B12R1.125 Cc1ccccc1\C=C\C(=O)O A14644 [0,0,1,0,0,1|2,0,0]=4 56 B12R1.125 c1cc(c(nc1)Cl)\C=C\C(=O)O H50051 [0,0,1,0,0,1|2,0,0]=4 57 B12R1.125 c1cc(c(nc1)N)\C=C\C(=O)O H50021 [0,0,1,0,0,1|1,0,0]=3 58 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Br A11381 [0,0,1,0,0,1|2,0,0]=4 59 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl L01606 [0,0,1,0,0,1|2,0,0]=4 60 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A15303 [0,0,1,0,0,1|2,0,0]=4 61 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O A11740 [0,0,1,0,0,1|2,0,0]=4 62 B12R1.125 c1cncc(c1N)\C=C\C(=O)O H51665 [0,0,1,0,0,1|1,0,0]=3 63 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O B20914 [0,0,1,0,0,1|2,0,0]=4 64 B12R1.226 c1cc(cc(c1)Br)\C=C\C(=O)O A16035 [0,0,1,0,0,1|2,0,0]=4 65 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A13416 [0,0,1,0,0,1|2,0,0]=4 66 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O B20818 [0,0,1,0,0,1|2,0,0]=4 67 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O A14466 [0,0,1,0,0,1|2,0,0]=4 68 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O H54638 [1,0,0,0,0,1|1,0,0]=3 69 B12R2.32 c1ccc2c(c1)cc(o2)C=O L02456 [1,0,0,0,0,1|2,0,0]=4 70 B12R2.32 c1ccc2c(c1)cc(s2)C=O L19345 [1,0,0,0,0,1|2,0,0]=4 71 B12R2.44 c1cc(cc2c1cc[nH]2)C=O H55152 [1,0,0,0,0,1|2,0,0]=4 72 B12R2.44 c1cc2c(cc[nH]2)cc1C=O B25517 [1,0,0,0,0,1|2,0,0]=4 73 B14R2.781 c1cc2c(cc1C(=O)O)nccn2 H33157 [0,0,0,0,0,2|2,0,0]=4 74 B14R2.781 c1cc2cc(ccc2nc1)C(=O)O A18223 [0,0,0,0,0,2|2,0,0]=4 75 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O L15133 [0,0,0,0,0,2|1,0,1]=4 76 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O A10192 [0,0,0,0,0,2|1,0,1]=4 77 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O H59780 [0,0,0,0,0,2|1,0,1]=4 78 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O L05102 [0,0,0,0,0,2|2,0,0]=4 79 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O A19880 [0,0,0,0,0,2|1,0,1]=4