0 B12R2.18 CC1=C2C=COC=C2OC1=O KKN [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 Cn1c2ccccc2nc1N ES7 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 ISN [0,0,0,0,0,0|1,0,1]=2 3 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)O 5V4 [0,0,0,0,0,0|2,0,2]=4 4 B11R2.1 B1(c2ccccc2CO1)O 6M9 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 c1ccc2c(c1)c(n[nH]2)N JNZ [1,0,0,0,0,0|3,0,0]=4 6 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [1,0,0,0,0,0|2,0,0]=3 7 B11R2.10 c1ccc2c(c1)[nH]c(n2)N AX7 [1,0,0,0,0,0|1,0,1]=3 8 B11R2.10 c1ccc2c(c1)nc(s2)N ABV [1,0,0,0,0,0|2,0,1]=4 9 B13R2.135 CCN1c2ccccc2NC1=O 0W8 [0,1,0,0,0,0|1,0,0]=2 10 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 2HQ [0,1,0,0,0,0|1,0,1]=3 11 B13R2.3028 c1cc2c(cc1F)[C@H](C(=O)N2)O 0TI [0,1,0,0,0,0|1,0,0]=2 12 B13R2.4856 Cc1cccc2c1[C@H](C(=O)N2)N BY4 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N NPU [0,0,1,0,0,0|2,0,1]=4 14 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,0,1,0,0,0|3,0,0]=4 15 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,0,1,0,0,0|2,0,1]=4 16 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,0,1,0,0,0|3,0,0]=4 17 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,0,1,0,0,0|2,0,0]=3 18 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,0,1,0,0,0|3,0,0]=4 19 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,0,1,0,0,0|3,0,0]=4 20 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,0,1,0,0,0|2,0,0]=3 21 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,0,1,0,0,0|2,1,0]=4 22 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,0,1,0,0,0|2,0,0]=3 23 B13R2.32 CN1c2ccccc2C=CC1=O 12Q [0,0,0,0,0,1|2,0,0]=3 24 B13R2.32 CN1c2ccccc2NCC1=O 5QX [0,0,0,0,0,1|1,0,0]=2 25 B13R2.32 c1ccc2c(c1)ccc(c2O)O D1N [0,0,0,0,0,1|2,0,1]=4 26 B13R2.328 CC1=CC(=O)Oc2c1cccc2 ZZ1 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.328 c1ccc2c(c1)C(=CC(=O)O2)O 4HC [0,0,0,0,0,1|2,0,0]=3 28 B13R2.369 CC1=Cc2ccccc2NC1=O J5I [0,0,0,0,0,1|2,0,0]=3 29 B13R2.369 CN1Cc2ccccc2NC1=O 3PF [0,0,0,0,0,1|1,0,0]=2 30 B13R2.369 C[C@@H]1C(=O)Nc2c(cccn2)N1 1JX [0,0,0,0,0,1|3,0,0]=4 31 B13R2.369 C[C@H]1C(=O)Nc2ccccc2N1 5QY [0,0,0,0,0,1|2,0,0]=3 32 B13R2.369 c1ccc2c(c1)C=C(C(=O)N2)O G3E [0,0,0,0,0,1|1,0,0]=2 33 B13R2.369 c1ccc2c(c1)C=C(C(=O)O2)O SE2 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,0,1,0,0,0|2,0,0]=4 35 B10R1.15 c1ccc(cc1)N(N=O)O CFI [1,0,1,0,0,0|1,0,0]=3 36 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [1,0,1,0,0,0|1,0,0]=3 38 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,0,1,0,0,0|1,0,0]=3 39 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,0,1,0,0,0|0,0,0]=2 40 B10R1.18 c1ccc(cc1)NC(=S)N URS [1,0,1,0,0,0|0,1,0]=3 41 B10R1.18 c1cnccc1NC(=S)N YS6 [1,0,1,0,0,0|1,1,0]=4 42 B10R1.4 C=CCc1ccccc1O 2LP [1,0,1,0,0,0|2,0,0]=4 43 B10R1.61 CC(=O)c1ccccc1N VNJ [1,0,1,0,0,0|2,0,0]=4 44 B10R1.61 Cc1ccccc1C(=O)O 3SK [1,0,1,0,0,0|2,0,0]=4 45 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [1,0,1,0,0,0|2,0,0]=4 46 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [1,0,1,0,0,0|1,0,0]=3 48 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [1,0,1,0,0,0|1,0,0]=3 49 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [1,0,1,0,0,0|2,0,0]=4 50 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [1,0,1,0,0,0|2,0,0]=4 51 B10R1.61 c1ccc(c(c1)[N+](=O)O)O CG3 [1,0,1,0,0,0|1,0,1]=4 52 B10R1.61 c1cncc(c1C(=O)O)N 4SV [1,0,1,0,0,0|2,0,0]=4 53 B10R2.7 c1cc2c(cc[nH]2)nc1 4JP [2,0,0,0,0,0|2,0,0]=4 54 B10R2.7 c1cc2cc[nH]c2nc1 GVH [2,0,0,0,0,0|2,0,0]=4 55 B10R2.7 c1cc[n+]2cc[nH]c2c1 MPI [2,0,0,0,0,0|2,0,0]=4 56 B10R2.7 c1ccc2c(c1)CC=C2 DEN [2,0,0,0,0,0|2,0,0]=4 57 B10R2.7 c1ccc2c(c1)CCN2 IDM [2,0,0,0,0,0|1,0,1]=4 58 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [2,0,0,0,0,0|0,0,1]=3 59 B10R2.7 c1ccc2c(c1)[nH]nn2 0CT [2,0,0,0,0,0|1,0,1]=4 60 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [2,0,0,0,0,0|1,0,0]=3 61 B10R2.7 c1ccc2c(c1)cco2 BZF [2,0,0,0,0,0|2,0,0]=4 62 B10R2.7 c1ccc2c(c1)cn[nH]2 LZ1 [2,0,0,0,0,0|2,0,0]=4 63 B10R2.7 c1ccc2c(c1)ncs2 BOT [2,0,0,0,0,0|1,0,1]=4 64 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O HHH [0,1,1,0,0,0|2,0,0]=4 65 B12R1.225 c1cc(cc(c1)Cl)[C@H](C(=O)O)O 47E [0,1,1,0,0,0|2,0,0]=4 66 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O APG [0,1,1,0,0,0|2,0,0]=4 67 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O SAA [0,1,1,0,0,0|2,0,0]=4 68 B12R1.32 c1ccc(cc1)NC(=O)CCS 4K3 [0,1,1,0,0,0|1,1,0]=4 69 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,1,1,0,0,0|2,0,0]=4 70 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,1,1,0,0,0|2,0,0]=4 71 B12R1.43 c1ccc(cc1)NC(=O)C(Cl)Cl NSA [0,1,1,0,0,0|2,0,0]=4 72 B12R1.49 c1cc(ccc1CC(=O)NN)F 45Y [0,1,1,0,0,0|2,0,0]=4 73 B12R1.49 c1cc(ccc1NC(=N)NO)Cl PH3 [0,1,1,0,0,0|1,0,0]=3 74 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O I3A [1,1,0,0,0,0|1,0,1]=4 75 B12R2.1 c1ccc2c(c1)c(cs2)CO 4W1 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.1 c1ccc2c(c1)ncn2CO 7HQ [1,1,0,0,0,0|0,0,1]=3 77 B12R2.2028 Cn1cc(c2c1cccc2)O MHD [1,1,0,0,0,0|1,0,0]=3 78 B12R2.32 CNc1[nH]c2ccccc2n1 1M2 [1,1,0,0,0,0|1,0,1]=4 79 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO XIY [1,1,0,0,0,0|0,0,2]=4 80 B12R2.32 c1ccc2c(c1)[nH]c(n2)CS 2XO [1,1,0,0,0,0|0,1,1]=4 81 B12R2.202 c1cc2c(c(c1)O)[nH]c(n2)N ES0 [1,1,0,0,0,0|1,0,1]=4 82 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 1P8 [1,1,0,0,0,0|1,0,0]=3 83 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 ES2 [1,1,0,0,0,0|1,0,0]=3 84 B12R2.606 c1cc2c(cc1Cl)NC(=O)O2 CLW [1,1,0,0,0,0|1,0,0]=3 85 B12R2.606 c1cc2c(cc1Cl)NC(=S)O2 5VM [1,1,0,0,0,0|1,1,0]=4 86 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)N VGD [1,1,0,0,0,0|1,0,1]=4 87 B12R2.606 c1cc2c(cc1F)[nH]c(n2)N ET2 [1,1,0,0,0,0|1,0,1]=4 88 B12R2.606 c1cc2c(cc1O)nc([nH]2)N 172 [1,1,0,0,0,0|1,0,1]=4 89 B14R2.7724 CC1=CC(=O)N(c2c1cccc2)C ZXZ [0,1,0,0,0,1|2,0,0]=4 90 B14R2.7724 c1ccc2c(c1)C(=O)C(=O)NC2=O RXA [0,1,0,0,0,1|1,0,1]=4 91 B14R2.8235 CC1=CC(=O)Nc2c1cc(cc2)Cl MVN [0,1,0,0,0,1|2,0,0]=4 92 B14R2.8235 c1cc2c(cc1Br)C(=CC(=O)O2)O 0FO [0,1,0,0,0,1|2,0,0]=4 93 B14R2.8239 CN1Cc2cc(ccc2NC1=O)Br 15E [0,1,0,0,0,1|1,0,0]=3 94 B14R2.8239 Cc1ccc2c(c1)NC(=O)[C@H](O2)C 64R [0,1,0,0,0,1|2,0,0]=4 95 B14R2.517 c1ccc2c(c1)[C@@H](C(=O)N2)CC#N NYK [0,2,0,0,0,0|2,0,0]=4 96 B14R2.9184 Cc1cc2c(c(c1)Br)NC(=O)C2=O 2AK [0,2,0,0,0,0|1,0,1]=4 97 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [0,0,1,1,0,0|2,0,0]=4 98 B14R2.738 C[C@@H]1CC(=O)Nc2ccccc2N1 98 [0,0,0,0,0,2|2,0,0]=4