0 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 A50922 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 76887 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.45 C[C@H](O)CNC(=O)C1=CC=CC=C1 32386 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 F14578 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.30 CCCCC(=O)C1=CC=NC=C1 N14246 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.30 CCCCC(=O)C1=NC=CC=C1 N12234 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.30 NCCCC(=O)C1=CN=CC=C1 D84284 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.30 O=C(NCCO)C1=NC=CC=C1 C73151 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.30 O=C(OCCO)C1=CC=CC=C1 E72195 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.30 O=C(SCCS)C1=CC=CC=C1 D76612 [1,0,0,0,0,0|1,1,0]=3 10 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [1,0,0,0,0,0|2,0,1]=4 15 B14R1.149 CN(C)\C=C\C(=O)C1=CC=CC(Cl)=C1 31172 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Cl)C=C1 94477 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 75641 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.3098 O=C(CCC(F)(F)F)C1=CC=CC=C1 67719 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.68 CC1COC(C2=CC=CC=C2)CN1 F17617 [0,0,0,1,0,0|2,0,1]=4 20 B14R2.68 CC1COC(C2=CC=CC=C2)CN1 F18861 [0,0,0,1,0,0|2,0,1]=4 21 B14R2.68 C[C@@H]1CO[C@H](C2=CC=CC=C2)CN1 F18847 [0,0,0,1,0,0|2,0,1]=4 22 B14R2.68 C[C@@H]1CO[C@H](C2=CC=CC=C2)CN1 F19008 [0,0,0,1,0,0|2,0,1]=4 23 B14R2.68 C[C@@H]1CO[C@H](C2=CC=CC=C2)CN1 F19009 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.68 C[C@H]1CO[C@H](C2=CC=CC=C2)CN1 F19007 [0,0,0,1,0,0|2,0,1]=4 25 B14R2.68 C[C@H]1CO[C@H](C2=CC=CC=C2)CN1 F19010 [0,0,0,1,0,0|2,0,1]=4 26 B14R2.403 CC1(C)CN=C(C2=CC=CC=C2)O1 V10355 [0,0,0,1,0,0|1,0,1]=3 27 B14R2.792 O=C(OC[C@H]1CO1)C2=CC=CC=C2 56433 [0,0,0,1,0,0|1,0,0]=2 28 B14R2.29285 CC1(C)CC[C@H](N)C2=C1C=CC=C2 59798 [0,0,0,1,0,0|2,0,1]=4 29 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [0,0,0,0,1,0|2,0,1]=4 30 B12R1.107 CC(C)CC(=O)C1=CN=CC=C1 F30170 [0,0,0,0,1,0|1,0,0]=2 31 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 F30232 [0,0,0,0,1,0|1,0,0]=2 32 B12R1.107 CC(C)C[C@H](N)C1=CC=NC=C1 AC7589 [0,0,0,0,1,0|2,0,1]=4 33 B12R1.107 CC(C)C[C@H](O)C1=CN=CC=C1 F50992 [0,0,0,0,1,0|1,0,2]=4 34 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,0,0,0,1,0|2,0,1]=4 35 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 C78399 [0,0,0,0,1,0|1,0,2]=4 36 B14R1.420 CC(=O)OCCC(=O)C1=CC=CC=C1 A51013 [0,0,0,0,0,1|2,0,1]=4 37 B14R1.420 O=C(OCC[N+](=O)[O-])C1=CC=CC=C1 AC6087 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [2,0,0,0,0,0|2,0,0]=4 41 B13R1.17 NCCNC(=O)C1=CC=C(Cl)C=C1 F21193 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.17 O=C(CCCI)C1=CC=C(F)C=C1 AC9670 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.17 O=C(NCCO)C1=CC=C(Cl)C=C1 V10301 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.18 CCCCC(=O)C1=CC(Br)=CN=C1 N14271 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.18 CCCCC(=O)C1=CC(C)=CC=C1 N13970 [1,1,0,0,0,0|1,0,0]=3 46 B13R1.18 CCCCC(=O)C1=CC(Cl)=NC=C1 N14280 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.18 CCCCC(=O)C1=CC=CC(Br)=C1 N13964 [1,1,0,0,0,0|1,0,0]=3 48 B13R1.18 CCCCC(=O)C1=CC=CC(Cl)=C1 N13956 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.18 CCCCC(=O)C1=NC=CC(Cl)=C1 N14250 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.18 NCCNC(=O)C1=CC=CC(Cl)=C1 F21223 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 96853 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 F21154 [1,1,0,0,0,0|1,0,0]=3 53 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 N10696 [1,1,0,0,0,0|0,0,0]=2 54 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 N13967 [1,1,0,0,0,0|1,0,0]=3 55 B13R1.674 CCCCC(=O)C1=C(Cl)C=CC=C1 N13953 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.674 CCCCC(=O)C1=NC=CC=C1C N12293 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl 77547 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.351 C[C@H](O)[C@H](C)OCC1=CC=CC=C1 P19299 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.513 CC(C)CNCC1=CC=C(Br)C=C1 11874 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 50122 [1,1,0,0,0,0|0,0,1]=3 61 B13R1.718 NC[C@H](F)COCC1=CC=CC=C1 92939 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 77446 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 AT18638 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 AT18639 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.718 O[C@H](CBr)COCC1=CC=CC=C1 T70304 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.718 O[C@H](CCl)COCC1=CC=CC=C1 D72522 [1,1,0,0,0,0|1,0,1]=4 67 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Cl)C=C1 N12881 [0,1,0,0,1,0|1,0,1]=4 68 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Cl)C=C1 N14470 [0,1,0,0,1,0|1,0,1]=4 69 B13R1.132 CC1=CC=C([C@@H](N)CC(C)C)C=C1 N14476 [0,1,0,0,1,0|1,0,1]=4 70 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Br)=C1 N14471 [0,1,0,0,1,0|1,0,1]=4 71 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Cl)=C1 N14468 [0,1,0,0,1,0|1,0,1]=4 72 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Cl)=C1 N14469 [0,1,0,0,1,0|1,0,1]=4 73 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(F)=C1 N14465 [0,1,0,0,1,0|1,0,1]=4 74 B13R1.147 CC1=CC=CC([C@@H](N)CC(C)C)=C1 N14475 [0,1,0,0,1,0|1,0,1]=4 75 B13R1.201 CC(=O)CC(=O)C1=C(C)C=CC=C1 78540 [0,1,0,0,1,0|1,0,1]=4 76 B13R1.201 CC(C)C[C@H](N)C1=C(Cl)C=CC=C1 N14466 [0,1,0,0,1,0|1,0,1]=4 77 B13R1.201 CC(C)C[C@H](N)C1=C(Cl)C=CC=C1 N14467 [0,1,0,0,1,0|1,0,1]=4 78 B13R1.201 CC(C)C[C@H](N)C1=C(F)C=CC=C1 N14464 [0,1,0,0,1,0|1,0,1]=4 79 B13R1.201 CC(C)OC(=O)C1=C(N)C=CC=C1 24666 [0,1,0,0,1,0|0,0,0]=2 80 B13R1.201 CC1=C([C@@H](N)CC(C)C)C=CC=C1 N14472 [0,1,0,0,1,0|1,0,1]=4 81 B13R1.201 CC1=C([C@@H](N)CC(C)C)C=CC=C1 N14473 [0,1,0,0,1,0|1,0,1]=4 82 B13R1.201 CC1=C([C@@H](N)CC(C)C)C=CC=C1 N14474 [0,1,0,0,1,0|1,0,1]=4 83 B15R1.496 CC(C)C[C@H](N)C(=O)NC1=CC=CC=C1 F15370 [0,1,0,0,0,1|1,0,0]=3 84 B15R1.8420 CN(C)CCC(=O)C1=C(Cl)C=CC(Cl)=C1 I11944 [0,2,0,0,0,0|2,0,0]=4 85 B15R1.5 COC1=CC=C(C(=O)CCN(C)C)C=C1 AC5566 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.90 CC(C)COC1=C(C=O)C=CC=C1 F17488 [0,0,1,1,0,0|2,0,0]=4 87 B13R2.10 C[C@H]1CN=C(C2=CC=CC=C2)O1 V10353 [1,0,0,1,0,0|1,0,1]=4 88 B13R2.10 C[C@H]1CN=C(C2=CC=CC=C2)O1 V10354 [1,0,0,1,0,0|1,0,1]=4 89 B13R2.10 C[C@H]1COC(C2=CC=CC=C2)=N1 V10356 [1,0,0,1,0,0|1,0,0]=3 90 B13R2.10 C[C@H]1COC(C2=CC=CC=C2)=N1 V10357 [1,0,0,1,0,0|1,0,0]=3 91 B13R2.371 CN1CCC(=O)C2=C1C=CC=C2 93242 [1,0,0,1,0,0|2,0,0]=4 92 B13R2.371 N[C@H]1CCC(=O)C2=C1C=CC=C2 73528 [1,0,0,1,0,0|2,0,0]=4 93 B13R2.371 O=C1CC[C@H](Br)C2=C1C=CC=C2 AT21616 [1,0,0,1,0,0|2,0,0]=4 94 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 S11240 [1,0,0,1,0,0|2,0,0]=4 95 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 O11475 [1,0,0,1,0,0|2,0,0]=4 96 B13R2.8137 O=C(C1=CC=CC=C1)C2CNC2 P14545 [1,0,0,1,0,0|2,0,0]=4 97 B13R2.72 CC(C)[C@@H]1CNC2=C1C=CC=C2 S10855 [1,0,0,1,0,0|2,0,0]=4 98 B13R2.3122 CC1(C)CCNC2=C1C=CC=C2 86979 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.3122 CC1(C)CCSC2=C1C=CC=C2 82057 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.238 CC1CC(N)(C2=CC=CC=C2)C1 92973 [0,0,0,1,1,0|1,0,1]=4 101 B13R2.328 CN1CC(=O)C2=C(C=CC=C2)C1 F12572 [0,0,0,1,1,0|1,0,0]=3 102 B13R2.328 CN1CC(=O)C2=C(C=CC=C2)C1 F12579 [0,0,0,1,1,0|1,0,0]=3 103 B13R2.12159 CC1(C)C[C@H](N)C2=C1C=CC=C2 AT19561 [0,0,0,1,1,0|1,0,1]=4 104 B13R2.12159 CC1(C)OC(=O)C2=C1C=CC=C2 A10944 [0,0,0,1,1,0|0,0,0]=2 105 B15R2.59 CC(C)[C@@H]1COC(C2=CC=CC=C2)=N1 V10335 [0,0,0,1,0,1|1,0,0]=3 106 B15R2.59 CC(C)[C@@H]1COC(C2=CC=CC=C2)=N1 V10358 [0,0,0,1,0,1|1,0,0]=3 107 B15R2.297 N[C@H]1CCN(C(=O)C2=CC=CC=C2)C1 C77841 [0,0,0,1,0,1|2,0,0]=4 108 B15R2.297 N[C@H]1CCN(C(=O)C2=CC=CC=C2)C1 C78022 [0,0,0,1,0,1|2,0,0]=4 109 B15R2.297 N[C@H]1CCN(C(=O)C2=CC=CC=C2)C1 C78144 [0,0,0,1,0,1|2,0,0]=4 110 B15R2.65988 CC1(C)CCNC(=O)C2=C1C=CC=C2 59797 [0,0,0,1,0,1|1,0,0]=3 111 B15R2.33 CN1CCC(=O)[C@@H](C2=CC=CC=C2)C1 C12194 [0,0,0,1,0,1|2,0,0]=4 112 B15R2.7494 CC1(C)CCC(=O)C2=C1C=CC(F)=C2 N15491 [0,1,0,1,0,0|1,0,0]=3 113 B15R2.7494 CC1(C)CCC(=O)C2=C1C=CC(O)=C2 N15494 [0,1,0,1,0,0|1,0,0]=3 114 B15R2.7494 CC1=CC2=C(C=C1)C(C)(C)CCC2=O N15493 [0,1,0,1,0,0|1,0,0]=3 115 B15R2.13622 CC1(C)CNC(=O)C2=CC=CC(Br)=C21 F52258 [0,1,0,1,0,0|1,0,0]=3 116 B15R2.65026 CC1(C)COC(C2=NC(N)=CC=C2)=N1 N13303 [0,1,0,1,0,0|2,0,0]=4 117 B15R2.61763 CC1(C)C(=O)NC(=O)C2=C1C=CC=C2 W16186 [0,1,0,1,0,0|1,0,1]=4 118 B15R2.18934 CC1(C)CN=C(C2=CC=C(Cl)C=C2)O1 V10369 [0,1,0,1,0,0|1,0,1]=4 119 B15R2.18934 CC1(C)COC(C2=CC=C(Cl)C=C2)=N1 V10372 [0,1,0,1,0,0|1,0,0]=3 120 B15R3.16679 O=C1NCC2(CC2)C3=C1C=CC=C3 93014 [0,0,0,2,0,0|1,0,0]=3 121 B11R1.29 CCCCC(=O)C1=CC=CO1 N14288 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [1,0,0,0,1,0|1,0,0]=3 123 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [1,0,0,0,1,0|1,0,0]=3 124 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [1,0,0,0,1,0|1,1,0]=4 125 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [0,0,0,0,2,0|1,0,0]=3 126 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 N12821 [0,0,0,0,2,0|1,0,0]=3 127 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [0,0,0,0,2,0|1,0,0]=3 128 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 F21136 [1,0,0,0,0,1|2,0,0]=4 129 B13R1.44 O=C(CC1=CC=CC=C1)NCCO W12293 [1,0,0,0,0,1|2,0,0]=4 130 B13R1.337 CC(C)CCNCC1=CC=CC=C1 F52160 [1,0,0,0,0,1|1,0,1]=4 131 B13R1.337 C[C@H](O)CCOCC1=CC=CC=C1 AT15545 [1,0,0,0,0,1|1,0,1]=4