0 B10R1.4 C1=CC=[N](C(=C1)N)CCO 1LN [1,0,0,0,0,0|3,0,0]=4 1 B10R1.4 C=CCc1ccccc1O 2LP [1,0,0,0,0,0|1,0,2]=4 2 B10R1.4 CCCc1ccccc1N PRY [1,0,0,0,0,0|1,0,0]=2 3 B10R1.4 CCCc1ccccc1O JZ4 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.4 CCOc1ccccc1O 261 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 c1ccc(c(c1)CCN)F BSX [1,0,0,0,0,0|0,1,0]=2 6 B10R1.17 C=CCNc1ccccc1 NYL [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 CCCCc1ccccc1 N4B [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 c1ccc(cc1)CCC=O 3PL [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 c1ccc(cc1)CCCCl LT1 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [1,0,0,0,0,0|2,0,0]=3 11 B10R1.17 c1ccc(cc1)CNC=O BNF [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 c1ccc(cc1)CNC=S 9BE [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 c1ccc(cc1)COC=O BZO [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 c1ccc(cc1)COC=O CBZ [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 c1ccc(cc1)NCC#N 264 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 c1ccc(cc1)OCCCl 258 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 c1ccc(cc1)OCCO 268 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [0,1,0,0,0,0|3,0,0]=4 19 B12R2.32 CNc1[nH]c2ccccc2n1 1M2 [0,0,0,1,0,0|2,0,1]=4 20 B12R2.1081 c1cc2c(c(c1)N)CCNC2 24W [0,0,0,1,0,0|1,0,0]=2 21 B12R2.1081 c1cc2c(c(c1)N)CNCC2 4WU [0,0,0,1,0,0|3,0,0]=4 22 B12R2.1081 c1cc2c(c(c1)O)CCCC2 TN1 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.8 CCCc1ccccc1 3H0 [2,0,0,0,0,0|0,0,0]=2 24 B9R1.8 CCOc1ccccc1 16Q [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 CCSc1ccccc1 16M [2,0,0,0,0,0|1,0,0]=3 26 B9R1.8 CNCc1ccccc1 271 [2,0,0,0,0,0|0,0,0]=2 27 B9R1.8 CSCc1ccccc1 PTF [2,0,0,0,0,0|1,0,0]=3 28 B9R1.8 c1cc(cnc1)CCN 45X [2,0,0,0,0,0|1,0,0]=3 29 B9R1.8 c1ccc(cc1)CC=O HY1 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.8 c1ccc(cc1)CCCl CEE [2,0,0,0,0,0|1,0,0]=3 31 B9R1.8 c1ccc(cc1)CCO PEL [2,0,0,0,0,0|1,0,0]=3 32 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [2,0,0,0,0,0|0,0,1]=3 33 B9R1.8 c1ccc(cc1)CNN BZZ [2,0,0,0,0,0|1,0,0]=3 34 B9R1.8 c1ccc(cc1)CON OBZ [2,0,0,0,0,0|1,0,0]=3 35 B9R1.15 CCc1ccccc1O JZ1 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.15 COc1ccccc1O JZ3 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 C[n+]1ccccc1CN NNZ [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 Cc1ccccc1CN KNN [2,0,0,0,0,0|1,0,0]=3 39 B9R1.15 c1ccc(c(c1)CN)Cl 02R [2,0,0,0,0,0|0,1,0]=3 40 B9R1.15 c1ccc(c(c1)CO)Br 4HR [2,0,0,0,0,0|1,0,0]=3 41 B9R1.15 c1ccc(c(c1)CO)N SOA [2,0,0,0,0,0|2,0,0]=4 42 B9R1.15 c1ccc(c(c1)CO)O SA9 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.15 c1ccc(c(c1)CS)I IBZ [2,0,0,0,0,0|1,1,0]=4 44 B9R1.15 c1cncc(c1Cl)CN NNU [2,0,0,0,0,0|1,1,0]=4 45 B11R1.222 CNC(=O)c1ccccc1I N1M [1,1,0,0,0,0|0,1,1]=4 46 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O 269 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.28 CCCCCc1ccccc1 3H2 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.28 c1ccc(cc1)CCCCN PBN [1,1,0,0,0,0|1,0,0]=3 49 B11R1.28 c1ccc(cc1)CCNC=O EOA [1,1,0,0,0,0|0,0,1]=3 50 B11R1.28 c1ccc(cc1)CCNC=S LE2 [1,1,0,0,0,0|0,0,1]=3 51 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [1,1,0,0,0,0|0,0,0]=2 53 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [1,1,0,0,0,0|2,0,0]=4 54 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [1,1,0,0,0,0|2,0,0]=4 55 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [1,1,0,0,0,0|2,0,0]=4 56 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [1,1,0,0,0,0|2,0,0]=4 57 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [1,1,0,0,0,0|2,0,0]=4 59 B11R1.91 B(CCc1ccccc1)(O)O PBA [1,1,0,0,0,0|2,0,0]=4 60 B11R1.91 CC(=O)OCc1ccccc1 J0Z [1,1,0,0,0,0|2,0,0]=4 61 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [1,1,0,0,0,0|1,0,0]=3 62 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,1,0,0,0,0|2,0,0]=4 63 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br 6DU [0,2,0,0,0,0|2,0,0]=4 64 B11R2.10 C1=CC2=NC(N=C2C=C1)N 270 [1,0,0,1,0,0|2,0,0]=4 65 B11R2.10 c1ccc2c(c1)CC(C2)N XM0 [1,0,0,1,0,0|1,0,0]=3 66 B11R2.20 c1ccc2c(c1)CCNC2 2CK [1,0,0,1,0,0|1,0,0]=3 67 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [1,0,0,1,0,0|2,0,0]=4 68 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [1,0,0,1,0,0|2,0,0]=4 69 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [1,0,0,1,0,0|2,0,0]=4 70 B13R2.5179 CN1CCc2c(cccc2N)C1 4X6 [0,1,0,1,0,0|1,0,0]=3 71 B13R2.342 Cc1cccc2c1CCNC2=O DHQ [0,1,0,1,0,0|1,0,1]=4