0 B15R1.889 CC(NCC(c1ccc(c(c1)O)O)O)C 1P003RKZ [0,0,0,0,0,0|0,0,0]=0 1 B15R1.889 CC(NCC(c1ccc(c(c1)O)O)O)C 1P003RL0 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.889 CC(NCC(c1ccc(c(c1)O)O)O)C 1P00G2OB [0,0,0,0,0,0|0,0,0]=0 3 B15R1.889 CC(NC[C@H](c1ccc(c(c1)O)O)O)C 1P00HXYC [0,0,0,0,0,0|0,0,0]=0 4 B15R1.889 CC(OCC(c1ccc(c(c1)F)Cl)O)C 1P01A7FL [0,0,0,0,0,0|3,0,0]=3 5 B15R1.889 CC(OCC(c1ccc(c(c1)F)F)O)C 1P01A78S [0,0,0,0,0,0|3,0,0]=3 6 B14R1.149 CC(OCC(c1cccc(c1)F)O)C 1P01AC9E [1,0,0,0,0,0|2,0,0]=3 7 B14R1.678 NC(c1ccc(cc1)Cl)CCC(C)C 1P019VRA [1,0,0,0,0,0|3,0,0]=4 8 B14R1.678 OC(c1ccc(cc1)F)CCN(C)C 1P00HTFV [1,0,0,0,0,0|3,0,0]=4 9 B14R1.678 OC(c1ccc(cc1)N)CNC(C)C 1P028VT4 [1,0,0,0,0,0|1,0,0]=2 10 B14R1.678 OC(c1ccc(cc1)O)CNC(C)C 1P00C2PP [1,0,0,0,0,0|0,0,0]=1 11 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 1P00C4EC [1,0,0,0,0,0|1,0,1]=3 12 B14R1.687 CC(=O)OCCc1ccc(c(c1)O)O 1P006EAF [1,0,0,0,0,0|2,0,1]=4 13 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)O 1P00BCR8 [1,0,0,0,0,0|1,0,2]=4 14 B16R1.4709 N#Cc1cc(ccc1N)C(CNC(C)C)O 1P003PD8 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.685 CC(NC(=O)c1ccc(c(c1)O)O)C 1P01C3HH [0,0,0,0,1,0|0,0,2]=3 16 B14R1.685 CN(CC(=O)c1ccc(c(c1)O)O)C 1P00APEE [0,0,0,0,1,0|1,0,2]=4 17 B14R1.685 OC(=O)CC(c1ccc(c(c1)O)O)O 1P028FSZ [0,0,0,0,1,0|2,0,1]=4 18 B13R1.18 CCNCC(c1cccc(c1)Br)C 1P01FJ49 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.18 CCNCC(c1cccc(c1)O)O 1P00III3 [2,0,0,0,0,0|0,0,0]=2 20 B13R1.45 OC(c1ccccc1)CCN(C)C 1P00DK8V [2,0,0,0,0,0|2,0,0]=4 21 B13R1.45 OC(c1ccccc1)CCN(C)C 1P028LNP [2,0,0,0,0,0|2,0,0]=4 22 B13R1.45 OC(c1ccccc1)CNC(=O)C 1P019UKA [2,0,0,0,0,0|1,0,1]=4 23 B13R1.45 OC(c1ccccc1)CNC(C)C 1P003F2J [2,0,0,0,0,0|0,0,0]=2 24 B13R1.149 CC(CNCc1cccc(c1)O)C 1P00JU7S [2,0,0,0,0,0|2,0,0]=4 25 B13R1.17 CCNCC(c1ccc(cc1)C)O 1P019T8S [2,0,0,0,0,0|1,0,0]=3 26 B13R1.513 CC(=O)NCCc1ccc(cc1)O 1P0077AS [2,0,0,0,0,0|1,0,1]=4 27 B13R1.513 CC(NCCc1ccc(cc1)F)C 1P019MAE [2,0,0,0,0,0|1,0,0]=3 28 B13R1.513 CC(NCCc1ccc(cc1)F)C 1P0286IO [2,0,0,0,0,0|1,0,0]=3 29 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 1P005SRZ [2,0,0,0,0,0|0,0,2]=4 30 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 1P00IBF0 [2,0,0,0,0,0|0,0,2]=4 31 B13R1.466 CNCC(c1ccc(c(c1)C)O)O 1P01DX72 [2,0,0,0,0,0|1,0,0]=3 32 B13R1.466 CNCC(c1ccc(c(c1)O)Cl)O 1P01BYCB [2,0,0,0,0,0|1,0,0]=3 33 B13R1.466 CNCC(c1ccc(c(c1)O)O)O 1P00I9LK [2,0,0,0,0,0|0,0,0]=2 34 B13R1.466 CNCC(c1ccc(c(c1)O)O)O 1P00IM56 [2,0,0,0,0,0|0,0,0]=2 35 B13R1.466 CNCC(c1ccc(c(c1)O)O)O 1P019GH7 [2,0,0,0,0,0|0,0,0]=2 36 B15R1.5450 OC(c1cc(O)cc(c1)O)CNC(C)C 1P003RY4 [1,1,0,0,0,0|0,0,0]=2 37 B15R1.8420 CC(NCC(c1cc(C)ccc1C)O)C 1P01ADA7 [1,1,0,0,0,0|1,0,0]=3 38 B15R1.758 COC(=O)C[C@@H](c1ccc(c(c1)O)O)O 1P0288GY [1,1,0,0,0,0|2,0,0]=4 39 B15R1.758 COC(=O)C[C@H](c1ccc(c(c1)O)O)O 1P028MQ8 [1,1,0,0,0,0|2,0,0]=4 40 B17R1.2672 CCC(C(c1ccc(c(c1)O)O)O)NC(C)C 1P00FASJ [0,2,0,0,0,0|0,0,0]=2 41 B17R1.5286 COc1cc(ccc1O)C(CNC([2H])([2H])[2H])O 1P01CCQI [0,2,0,0,0,0|2,0,0]=4 42 B17R1.5286 N#Cc1cc(ccc1N)C(CNC(C)(C)C)O 1P00DFSG [0,2,0,0,0,0|2,0,0]=4 43 B17R1.5286 OCc1cc(ccc1O)C(CNC(C)(C)C)O 1P007TFH [0,2,0,0,0,0|0,0,0]=2 44 B17R1.5286 OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O 1P00AP80 [0,2,0,0,0,0|0,0,0]=2 45 B17R1.5286 OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O 1P00D8E0 [0,2,0,0,0,0|0,0,0]=2 46 B17R1.5286 OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O 1P00FCGW [0,2,0,0,0,0|0,0,0]=2 47 B17R1.304823 OC(c1cc(Br)c(c(c1)Br)N)CNC(C)(C)C 1P00C3MX [0,2,0,0,0,0|2,0,0]=4 48 B15R2.28 CC1COC(CN1)c2cccc(c2)Cl 1P01AGIM [1,0,0,1,0,0|1,0,0]=3 49 B15R2.28 CC1COC(CN1)c2cccc(c2)Cl 1P01AGIN [1,0,0,1,0,0|1,0,0]=3 50 B15R2.3 CC1CCC(CC1)c2ccc(cc2)O 1P01XC1R [1,0,0,1,0,0|2,0,0]=4 51 B15R2.6983 OC(c1ccc(cc1)F)CNC2CC2 1P01AJNM [1,0,0,1,0,0|1,0,0]=3 52 B15R2.94 Clc1ccc(cc1Cl)C2CNCCO2 1P00CMHU [1,0,0,1,0,0|2,0,0]=4 53 B15R2.94 Fc1ccc(cc1Br)C2CNCCO2 1P01ADND [1,0,0,1,0,0|2,0,0]=4 54 B15R2.94 Fc1ccc(cc1C)C2CNCCO2 1P01A40Z [1,0,0,1,0,0|2,0,0]=4 55 B15R2.94 Fc1ccc(cc1Cl)C2CNCCO2 1P01AABB [1,0,0,1,0,0|2,0,0]=4 56 B15R2.94 Fc1ccc(cc1F)C2CNCCO2 1P000NNP [1,0,0,1,0,0|2,0,0]=4 57 B15R2.94 Fc1ccc(cc1F)C2CNCCO2 1P0095WI [1,0,0,1,0,0|2,0,0]=4 58 B15R2.94 Fc1ccc(cc1O)C2CCCNC2 1P028OXP [1,0,0,1,0,0|2,0,0]=4 59 B15R2.18969 Clc1ccc(cc1Cl)C2(O)CNCC2 1P00GI70 [1,0,0,1,0,0|2,0,0]=4 60 B15R2.64537 CC1CNCCc2c1cc(O)c(c2)Br 1P028MGJ [1,0,0,1,0,0|2,0,0]=4 61 B13R1.132 CC(CC(c1ccc(cc1)C)N)C 1P01ASY9 [1,0,0,0,1,0|2,0,0]=4 62 B13R1.132 CC(NC(=O)c1ccc(cc1)O)C 1P008JTL [1,0,0,0,1,0|0,0,2]=4 63 B13R1.132 NC(c1ccc(cc1)Cl)CC(C)C 1P01AL6U [1,0,0,0,1,0|2,0,0]=4 64 B13R1.132 N[C@@H](c1ccc(cc1)Br)CC(C)C 1P01JV5H [1,0,0,0,1,0|2,0,0]=4 65 B13R1.132 OC(c1ccc(cc1)F)CC(N)C 1P01A0SI [1,0,0,0,1,0|2,0,0]=4 66 B13R1.511 CC(NCc1ccc(c(c1)Cl)Cl)C 1P00G1SN [1,0,0,0,1,0|2,0,0]=4 67 B13R1.511 CN(CCc1ccc(c(c1)O)O)C 1P01A2SZ [1,0,0,0,1,0|1,0,0]=3 68 B13R1.510 CC(C(=O)c1ccc(c(c1)O)O)C 1P00DAFB [0,0,0,0,2,0|0,0,2]=4 69 B13R1.510 CC(C(c1ccc(c(c1)F)F)O)C 1P01A4I3 [0,0,0,0,2,0|2,0,0]=4 70 B13R1.510 CC([C@H](c1ccc(c(c1)O)F)N)C 1P01XC7T [0,0,0,0,2,0|2,0,0]=4 71 B13R1.510 C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N 1P00G3RK [0,0,0,0,2,0|1,0,0]=3 72 B15R1.882 OC(c1ccc(cc1)F)CNCC(C)C 1P01AJNN [1,0,0,0,0,1|1,0,0]=3