0 B14R1.160 N=C(N)NNC(=O)C1=C(O)C=CC=C1 ALBB-031608 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.160 O=C(NNC(=S)[S-])C1=C(O)C=CC=C1 ALBB-035631 [0,0,0,0,0,0|2,2,0]=4 2 B14R1.160 O=C(O)CNC(=O)C1=C(F)C=CC=C1 ALBB-025853 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.160 O=C(O)CSC(=O)C1=CC=CC=C1Cl ALBB-016564 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.160 O=C([O-])CNC(=O)C1=C(I)C=CC=C1 ALBB-035662 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 ALBB-027395 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 ALBB-005966 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 ALBB-004078 [1,0,0,0,0,0|1,1,0]=3 8 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 ALBB-025661 [1,0,0,0,0,0|0,0,2]=3 9 B13R1.158 CC1=C(CNCC(=O)O)C=CC=C1 ALBB-034791 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.674 NCCNC(=O)C1=C(O)C=CC=C1 ALBB-031751 [1,0,0,0,0,0|2,0,1]=4 11 B15R1.5815 O=C(OCC(O)CO)C1=CC=CC=C1O ALBB-025595 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.5822 OC(=O)CCC(=O)C1=CC=C(C)C=C1C ALBB-035370 [0,1,0,0,0,0|1,0,0]=2 13 B15R1.8020 CC1=C(S(=O)(=O)CCC(=O)O)C=CC=C1 ALBB-034122 [0,1,0,0,0,0|2,0,0]=3 14 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 ALBB-034983 [0,0,0,1,0,0|2,0,0]=3 15 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 ALBB-009256 [0,0,0,1,0,0|3,0,0]=4 16 B15R2.6 O=C(O)CCN1C=NC2=CC=CC=C21 ALBB-020841 [0,0,0,1,0,0|3,0,0]=4 17 B15R2.6 O=C(O)CCN1C=NC2=CC=CC=C21 ALBB-020841 [0,0,0,1,0,0|3,0,0]=4 18 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 ALBB-032978 [0,0,0,1,0,0|3,0,0]=4 19 B15R2.6 O=C(O)CCN1N=NC2=CC=CC=C21 ALBB-005248 [0,0,0,1,0,0|3,0,0]=4 20 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O ALBB-015647 [0,0,0,1,0,0|2,0,0]=3 21 B15R2.629 O=C(O)CN1NC2=CC=CC=C2C1=O ALBB-016236 [0,0,0,1,0,0|2,0,0]=3 22 B15R2.14951 O=C1NC(C(=O)O)CC2=CC=CC=C12 ALBB-025500 [0,0,0,1,0,0|2,0,0]=3 23 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 ALBB-007548 [0,0,0,0,1,0|2,0,1]=4 24 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl ALBB-006688 [0,0,0,0,1,0|2,0,1]=4 25 B15R1.256 CC1=CC=CC=C1NC(=O)CCC(=O)O ALBB-017683 [0,0,0,0,0,1|1,0,0]=2 26 B15R1.256 O=C(O)\C=C\C(=O)NC1=C(Cl)C=CC=C1 ALBB-023253 [0,0,0,0,0,1|1,0,2]=4 27 B15R1.256 O=C(O)\C=C\C(=O)NC1=CC=CC=C1F ALBB-036131 [0,0,0,0,0,1|1,0,2]=4 28 B15R1.8019 O=C(O)CCNC(=O)C1=C(Cl)C=CC=C1 ALBB-012908 [0,0,0,0,0,1|1,0,0]=2 29 B12R1.252 O=C(O)CCSC1=CC=CC=C1 ALBB-009427 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.252 O=C(O)CCSC1=NC=CC=C1 ALBB-027382 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.252 O=C(O)CSCC1=CC=CC=C1 ALBB-009416 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 ALBB-023496 [2,0,0,0,0,0|1,0,1]=4 33 B14R1.163 NNC(=O)CNC(=O)C1=CC=CC=C1 ALBB-018225 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.415 CC(CN(C)C1=CC=CC=C1)C(=O)O ALBB-027397 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O ALBB-012975 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 ALBB-025921 [1,1,0,0,0,0|0,0,1]=3 37 B14R1.417 CC(CC(=O)O)N(C)C1=CC=CC=C1 ALBB-027396 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 ALBB-033262 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Br)C=C1 ALBB-034419 [1,1,0,0,0,0|1,0,0]=3 40 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 ALBB-025852 [1,1,0,0,0,0|1,0,0]=3 41 B14R1.678 CC1=CC=C(C(=S)SCC(=O)O)C=C1 ALBB-031711 [1,1,0,0,0,0|1,1,0]=4 42 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 ALBB-025851 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 ALBB-005979 [1,1,0,0,0,0|0,0,0]=2 44 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 ALBB-033219 [1,1,0,0,0,0|1,0,0]=3 45 B14R1.678 O=C(O)CNC(=O)C1=CC=C(F)C=C1 ALBB-023523 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.678 O=C(O)\C=C\C(=O)C1=CC=C(F)C=C1 ALBB-026314 [1,1,0,0,0,0|0,0,2]=4 47 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 ALBB-009418 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.161 CC1=C(OCC(O)C(=O)O)C=CC=C1 ALBB-025148 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.337 O=C(O)CC(=O)NC1=CC=CC=C1O ALBB-030146 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.918 O=C(NCCO)C1=C(O)C=CC(O)=C1 ALBB-014270 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.1035 NCCCNC(=O)C1=C(O)C=CC=C1 ALBB-031716 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.840 COC1=CC=CC=C1C(N)CC(=O)O ALBB-007554 [0,1,0,0,1,0|1,0,1]=4 53 B16R1.1369 COC1=C(NC(=O)\C=C\C(=O)O)C=CC=C1 ALBB-023249 [0,1,0,0,0,1|0,0,2]=4 54 B16R1.1369 CSC1=CC=CC=C1NC(=O)CCC(=O)O ALBB-012081 [0,1,0,0,0,1|0,1,0]=3 55 B16R1.7488 CC1=CC=C(C)C(NC(=O)CCC(=O)O)=C1 ALBB-017680 [0,1,0,0,0,1|1,0,0]=3 56 B16R1.7488 CC1=CC=C(F)C(NC(=O)CCC(=O)O)=C1 ALBB-012085 [0,1,0,0,0,1|1,0,0]=3 57 B16R1.11390 O=C(O)CCC(=O)NC1=C(F)C=C(Cl)C=C1 ALBB-012097 [0,1,0,0,0,1|1,0,0]=3 58 B16R1.11390 O=C(O)CCC(=O)NC1=CC=C(Br)C=C1Br ALBB-036197 [0,1,0,0,0,1|1,0,0]=3 59 B16R1.11390 O=C(O)CCC(=O)NC1=CC=C(Br)C=C1F ALBB-036219 [0,1,0,0,0,1|1,0,0]=3 60 B16R1.4547 O=C(O)CNC(=O)C1=CC=CC=C1[N+](=O)[O-] ALBB-025643 [0,2,0,0,0,0|1,0,1]=4 61 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 ALBB-004760 [1,0,0,1,0,0|1,0,0]=3 62 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 ALBB-000192 [0,0,0,1,1,0|1,0,1]=4 63 B16R2.3989 O=C(O)CC1OC2=CC=CC=C2NC1=O ALBB-017002 [0,0,0,1,0,1|0,0,0]=2 64 B16R2.3989 O=C(O)CC1SC2=CC=CC=C2NC1=O ALBB-017001 [0,0,0,1,0,1|0,1,0]=3 65 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 ALBB-005980 [0,0,0,1,0,1|2,0,0]=4 66 B16R2.3270 O=C(O)[C@@H]1CSC(C2=C(O)C=CC=C2)N1 ALBB-028240 [0,0,0,1,0,1|1,0,1]=4 67 B16R2.3356 O=C(O)CCN1SC2=CC=CC=C2C1=O ALBB-030773 [0,0,0,1,0,1|0,1,0]=3 68 B16R2.16183 O=C(O)CN1C(=O)C2=CC=CC=C2C1=O ALBB-000314 [0,1,0,1,0,0|1,0,1]=4 69 B16R2.83538 O=C(O)CN1C=NC2=CC=CC=C2C1=O ALBB-012760 [0,1,0,1,0,0|2,0,0]=4 70 B16R2.104522 CN1C=C(CCC(=O)O)C2=CC=CC=C21 ALBB-028602 [0,1,0,1,0,0|2,0,0]=4 71 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O ALBB-007460 [0,1,0,1,0,0|2,0,0]=4 72 B16R2.4003 O=C(O)CCN1C(=O)OC2=C1C=CC=C2 ALBB-012640 [0,1,0,1,0,0|1,0,0]=3 73 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 ALBB-005241 [1,0,0,0,1,0|2,0,0]=4 74 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 ALBB-022307 [1,0,0,0,1,0|2,0,0]=4 75 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ALBB-018652 [1,0,0,0,1,0|1,0,1]=4 76 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 ALBB-031682 [1,0,0,0,1,0|2,0,0]=4 77 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 ALBB-007550 [1,0,0,0,1,0|1,0,1]=4 78 B12R1.125 CC1=CC=CC=C1NCC(=O)O ALBB-003985 [1,0,0,0,1,0|2,0,0]=4 79 B12R1.125 CC1=CC=CC=C1OCC(=O)O ALBB-000800 [1,0,0,0,1,0|2,0,0]=4 80 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 ALBB-023257 [1,0,0,0,1,0|1,0,0]=3 81 B12R1.125 O=C(O)CCN1C=CC=CC1=O ALBB-017893 [1,0,0,0,1,0|1,0,1]=4 82 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 ALBB-027317 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 ALBB-000807 [1,0,0,0,1,0|2,0,0]=4 84 B12R1.125 O=C(O)COC1=CC=CC=C1Br ALBB-000818 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.125 O=C(O)COC1=CC=CC=C1F ALBB-000256 [1,0,0,0,1,0|2,0,0]=4 86 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br ALBB-011738 [1,0,0,0,1,0|1,0,1]=4 87 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl ALBB-006017 [1,0,0,0,1,0|1,0,1]=4 88 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F ALBB-011736 [1,0,0,0,1,0|1,0,1]=4 89 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O ALBB-025832 [1,0,0,0,1,0|0,0,1]=3 90 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 ALBB-010043 [1,0,0,0,0,1|0,0,0]=2 91 B16R1.7414 O=C(O)CCCC(=O)NC1=CC=CC=C1O ALBB-003793 [0,0,0,0,0,2|0,0,0]=2 92 B16R1.7414 O=C(O)COCC(=O)NC1=CC=CC=C1O ALBB-003792 [0,0,0,0,0,2|0,0,0]=2