0 B14R1.746 COC(=O)C1=C(C=CC=C1)C(=O)OC Z57902306 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.746 COC(=O)C1=C(C=NC=C1)C(=O)OC Z1255356418 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.382 CCNC1=C(C=CC=C1)C(=O)OC Z111833748 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.382 CCOC1=C(C=CC=C1)C(=O)NC Z68248409 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.382 CNCC1=C(C=CC=C1)C(=O)OC Z1268152318 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.382 COC(=O)C1=C(C=CC=C1)CCN Z2901974789 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.547 CCS(=O)C1=C(C=CC=C1)C(=O)O Z85923150 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.547 COC(=O)C1=C(C=CC=C1)B(O)O Z1255391218 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.547 COC(=O)C1=C(C=CC=C1)C(=O)O Z1080376828 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.547 COC(=O)C1=C(C=CN=C1)C(=O)O Z1255379671 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.547 COC(=O)C1=C(N=CC=C1)C(=O)O Z1198182823 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.547 COC(=O)C1=C(N=CC=N1)C(=O)O Z2293608377 [1,0,0,0,0,0|2,0,0]=3 12 B15R1.984 CCS(=O)C1=C(C=CC=C1)C(=O)N(C)C Z135504908 [0,1,0,0,0,0|3,0,0]=4 13 B15R1.38509 COC(=O)C1=C(C(=CC=C1)O)C(=O)OC Z1513804507 [0,1,0,0,0,0|0,0,0]=1 14 B15R1.38509 COC(=O)C1=C(C(=CC=N1)N)C(=O)OC Z1509445580 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.38521 COC(=O)C1=C(C=C(C=C1)N)C(=O)OC Z1079174180 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.38521 COC(=O)C1=C(C=C(C=C1)O)C(=O)OC Z1509565991 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.38521 COC(=O)C1=C(C=C(N=C1)Cl)C(=O)OC Z2311308247 [0,1,0,0,0,0|1,0,0]=2 18 B15R2.9032 CC1=C(C(=O)C2=C(C1=O)C=CC=C2)C Z1198147654 [0,0,0,1,0,0|2,0,0]=3 19 B15R2.9032 CC1=C(C(=O)C2=C(C1=O)C=CC=C2)O Z1198147653 [0,0,0,1,0,0|3,0,0]=4 20 B15R2.19310 COC(=O)C1=C2C(=O)CCC2=CC=C1 Z1255448232 [0,0,0,1,0,0|1,0,0]=2 21 B15R2.22222 COC1=C2C=CC=CC2=C(C=C1)OC Z1429870082 [0,0,0,1,0,0|2,0,0]=3 22 B13R1.553 COC(=O)C1=C(NN=N1)C(=O)OC Z1198152027 [0,0,0,0,1,0|3,0,0]=4 23 B13R1.553 COC(=O)C1=CNC=C1C(=O)OC Z1198163571 [0,0,0,0,1,0|1,0,0]=2 24 B13R1.553 COC(=O)C1=CSC=C1C(=O)OC Z1486027772 [0,0,0,0,1,0|1,0,0]=2 25 B15R1.3847 C=CC(=O)NC1=C(C=CC=C1)C(=O)OC Z440635160 [0,0,0,0,0,1|1,0,1]=3 26 B15R1.3847 COC(=O)C1=C(C=CC=C1)NC(=O)CCl Z56755197 [0,0,0,0,0,1|2,0,0]=3 27 B12R1.77 CCC(=O)C1=C(C=CC=C1)OC Z54462534 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.77 CNC(=O)C1=C(C=CC=C1)C=O Z1068186268 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.77 CNC(=O)C1=C(C=CC=C1)NC Z805298064 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.77 CNC(=O)C1=C(C=CC=C1)OC Z32016372 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.77 CNC(=O)C1=C(C=CC=C1)SC Z32015338 [2,0,0,0,0,0|1,1,0]=4 32 B12R1.77 CNC(=O)C1=C(N=CC=C1)OC Z300243570 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.77 CNC1=C(C=CC=C1)C(=O)OC Z53836967 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.77 COC(=O)C1=C(C=CC=C1)C#N Z1201617254 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O Z54125420 [2,0,0,0,0,0|0,0,0]=2 36 B12R1.77 COC(=O)C1=C(C=CC=C1)CN Z1741964949 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.77 COC(=O)C1=C(C=CC=C1)NN Z1601562312 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.77 COC(=O)C1=C(C=CC=C1)SC Z25302675 [2,0,0,0,0,0|0,1,0]=3 39 B12R1.77 COC(=O)C1=C(C=CC=N1)C=O Z1198311042 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.77 COC(=O)C1=C(C=NC=N1)OC Z1255448568 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.77 COC(=O)C1=C(N=CC=C1)C=O Z1198309070 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.77 COC(=O)C1=C(N=CC=C1)OC Z307842984 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.77 COC1=C(C=CC=C1)C(=O)CBr Z85926254 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.77 COC1=C(C=CC=C1)C(=O)CCl Z56968542 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.77 COC1=C(C=CC=C1)C(=O)CN Z1263806892 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.77 COC1=C(C=CC=C1)C(=O)NN Z57318022 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.283 CCCC1=C(C=CC=C1)C(=O)O Z1255462246 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.283 CCOC1=C(C=CC=C1)C(=O)C Z54530097 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.283 CCOC1=C(C=CC=C1)C(=O)O Z104478128 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.283 CCSC1=C(C=CC=C1)C(=O)C Z332382328 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.283 COCC1=C(C=CC=C1)C(=O)N Z365255872 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.283 COCC1=C(C=CC=C1)C(=O)O Z359517772 [2,0,0,0,0,0|0,0,1]=3 53 B12R1.283 COCC1=C(N=CC=C1)C(=O)O Z4742339690 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.261 CC(=O)C1=C(C=CC=C1)C(=O)O Z57158791 [2,0,0,0,0,0|0,0,0]=2 55 B12R1.261 CC(C)C1=C(C=CC=C1)C(=O)O Z1171157998 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.261 N=C(N)C1=C(C=CC=C1)C(=O)O Z3242292796 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.261 NC(=O)C1=C(C=CC=C1)C(=O)N Z104476290 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.261 NC(=O)C1=C(C=CC=N1)C(=O)O Z1142648247 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.261 O=C(O)C1=C(C=CC=C1)B(O)O Z1201620947 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.261 O=C(O)C1=C(C=CC=C1)C(=O)O Z57127456 [2,0,0,0,0,0|0,0,0]=2 61 B12R1.261 O=C(O)C1=C(C=CC=C1)[N+](=O)[O-] Z57160141 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.261 O=C(O)C1=C(C=NC=C1)C(=O)O Z1123696308 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.261 O=C(O)C1=C(C=NN=C1)C(=O)O Z1201623771 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.261 O=C(O)C1=C(N=CC=C1)C(=O)O Z57160166 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.261 O=C(O)C1=C(N=CC=N1)C(=O)O Z104492896 [2,0,0,0,0,0|2,0,0]=4 66 B14R1.263 CCNC1=C(C=CC=C1)C(=O)OCC Z381346678 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.263 CCOC1=C(C=CC=C1)C(=O)NOC Z239480402 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.481 COCC1=C(C=CC=C1)C(=O)N(C)C Z370278114 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.317 CCS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z90122119 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.707 COC(=O)C1=C(C=CC(=C1)Cl)C(=O)C Z1725938655 [1,1,0,0,0,0|0,0,0]=2 71 B14R1.707 COC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] Z18530725 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.707 COC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-] Z600398360 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.707 COC(=O)C1=C(C=CC(=C1)O)N(C)C Z1513908439 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.707 COC(=O)C1=C(C=CC(=C1)O)[N+](=O)[O-] Z1172114095 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)Cl Z56867243 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)F Z2216561476 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)N Z45415592 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.1126 COC(=O)C1=C(C=C(C=C1)O)[N+](=O)[O-] Z1255452625 [1,1,0,0,0,0|1,0,1]=4 79 B14R1.1153 COC(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-] Z1198265948 [1,1,0,0,0,0|1,0,1]=4 80 B16R1.960 CCOC(=O)C1=C(C=CC=C1)NC(=O)CCl Z56862387 [0,1,0,0,0,1|2,0,0]=4 81 B16R1.960 CCOC(=O)C1=C(C=CC=C1)NC(=O)OC Z1119280905 [0,1,0,0,0,1|0,0,0]=2 82 B16R1.1177 COC(=O)C1=C(C=CC=C1)N(C)C(=O)CCl Z199424098 [0,1,0,0,0,1|2,0,0]=4 83 B16R1.1556 CC#CC(=O)NC1=C(C=CC=C1)C(=O)OC Z1947368865 [0,1,0,0,0,1|1,0,0]=3 84 B16R1.1556 CNC(=O)C1=C(C=CC=C1)NC(=O)COC Z280283018 [0,1,0,0,0,1|1,0,0]=3 85 B16R1.1556 COC(=O)C1=C(C=CC=C1)NC(=O)CSC Z27655302 [0,1,0,0,0,1|0,1,0]=3 86 B16R1.16698 COC(=O)C1=C(C=CC=C1)NC(=O)N(C)C Z281078302 [0,1,0,0,0,1|1,0,0]=3 87 B16R1.25336 COC(=O)C1=C(C(=CC=C1)I)NC(=O)CCl Z3671850394 [0,1,0,0,0,1|2,0,0]=4 88 B16R1.74497 COC(=O)CC1=C(C=CC(=N1)O)C(=O)OC Z1318217052 [0,1,0,0,0,1|1,0,0]=3 89 B16R1.76633 CCS(=O)(=O)NC1=C(C=CC=C1)C(=O)OC Z53825150 [0,1,0,0,0,1|2,0,0]=4 90 B16R1.78073 COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CCl Z223461870 [0,1,0,0,0,1|2,0,0]=4 91 B16R1.14964 CCOC(=O)C1=C(N=CN=C1)C(=O)OCC Z1982316817 [0,2,0,0,0,0|2,0,0]=4 92 B16R1.17282 COC(=O)C1=C(C=CC=C1)S(=O)(=O)N(C)C Z45527575 [0,2,0,0,0,0|2,0,0]=4 93 B16R1.76820 COC(=O)C1=C(C(=C(C=C1)N)F)C(=O)OC Z3689015429 [0,2,0,0,0,0|0,0,0]=2 94 B16R1.76820 COC(=O)C1=C(C(=C(C=C1)O)N)C(=O)OC Z2180590679 [0,2,0,0,0,0|0,0,0]=2 95 B16R1.76808 COC(=O)C1=C(C=C(C(=C1)N)O)C(=O)OC Z3313118554 [0,2,0,0,0,0|0,0,0]=2 96 B14R1.77 CNC(=O)/C=C/C1=CC(=CC=C1)OC Z32016693 [0,0,1,1,0,0|2,0,0]=4 97 B14R1.3308 COC(=O)CC1=C(C=CS1)C(=O)OC Z1813197790 [0,0,1,1,0,0|1,0,1]=4 98 B14R1.357 COC(=O)C1=CC(=CC(=C1)OC)C=O Z1198307920 [0,0,1,1,0,0|2,0,0]=4 99 B14R2.10782 COC(=O)C1=C2CNCC2=CC=C1 Z3234811124 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.10782 COC(=O)C1=C2NCCC2=CC=C1 Z1198266457 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.10782 COC(=O)C1=CC=CC2=NON=C12 Z2313107990 [1,0,0,1,0,0|2,0,0]=4 102 B14R2.4510 O=C1CCCC(=O)C2=C1C=CC=N2 Z1255429539 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.7724 CC1=CC(=O)C2=C(C1=O)C=CC=C2 Z1255430959 [1,0,0,1,0,0|1,0,1]=4 104 B14R2.7724 CN1NC(=O)C2=C(C1=O)C=CC=C2 Z50146900 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.24350 O=C(O)C1=C2C(=O)CCC2=CC=C1 Z1198224378 [1,0,0,1,0,0|1,0,0]=3 106 B14R2.24350 O=C(O)C1=C2C(=O)NCC2=CC=C1 Z1198323512 [1,0,0,1,0,0|1,0,0]=3 107 B14R2.24350 O=C(O)C1=C2C(=O)NNC2=CC=C1 Z1198148801 [1,0,0,1,0,0|2,0,0]=4 108 B16R2.3155 O=C1CCCCC(=O)C2=C(N1)C=CC=C2 Z1509142813 [0,0,0,1,0,1|2,0,0]=4 109 B16R2.33942 COC(=O)C1=NNC(=O)C2=C1C=CC=C2 Z56851232 [0,0,0,1,0,1|2,0,0]=4 110 B16R2.496297 COC(=O)C1=C2C=CC=CN2C(=O)N1C Z2186398476 [0,0,0,1,0,1|2,0,0]=4 111 B16R2.172716 COC(=O)C1=C2C(=O)NN=CC2=CC=C1 Z1509668542 [0,1,0,1,0,0|1,0,1]=4 112 B16R2.203344 COC(=O)C1=C2C(=CNC2=CC=C1)C=O Z1509142357 [0,1,0,1,0,0|2,0,0]=4 113 B16R2.133343 CC1=CC2=C(C=C1)C(=O)C(=C(C2=O)C)C Z1509621924 [0,1,0,1,0,0|2,0,0]=4 114 B12R1.368 COC(=O)C1=C(C=CN1)C(=O)O Z5593358295 [1,0,0,0,1,0|1,0,0]=3 115 B12R1.368 COC(=O)C1=C(C=CS1)C(=O)O Z1262517519 [1,0,0,0,1,0|1,0,0]=3 116 B12R1.368 COC(=O)C1=C(OC=C1)C(=O)O Z1889706994 [1,0,0,0,1,0|1,0,0]=3 117 B12R1.368 COC(=O)C1=CNN=C1C(=O)O Z1262529404 [1,0,0,0,1,0|2,0,0]=4 118 B12R1.368 COC(=O)C1=COC=C1C(=O)O Z1262511791 [1,0,0,0,1,0|1,0,0]=3 119 B12R1.368 COC(=O)C1=CSC=C1C(=O)O Z1262514542 [1,0,0,0,1,0|1,0,0]=3 120 B14R1.3302 C=CC(=O)NC1=C(C=CC=C1)C(=O)O Z316089774 [1,0,0,0,0,1|1,0,1]=4 121 B14R1.3302 CC(=O)C1=C(C=CC=C1)NC(=O)CCl Z56886527 [1,0,0,0,0,1|2,0,0]=4 122 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O Z85878916 [1,0,0,0,0,1|1,0,0]=3 123 B14R1.3302 COC(=O)CC1=C(C=CC=C1)C(=O)O Z1198154414 [1,0,0,0,0,1|0,0,0]=2 124 B14R1.3302 COC(=O)NC1=C(C=CC=C1)C(=O)O Z192948536 [1,0,0,0,0,1|0,0,0]=2 125 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)C(=O)O Z56891406 [1,0,0,0,0,1|2,0,0]=4 126 B14R1.734 COC(=O)C1=CC(=CC=C1)C(=O)CCl Z1518653082 [0,0,0,0,1,1|2,0,0]=4 127 B14R1.734 COC(=O)C1=CC=CC(=N1)C(=O)OC Z25085939 [0,0,0,0,1,1|0,0,0]=2 128 B14R1.734 COC(=O)C1=NC(=CC=C1)C(=O)CCl Z1269220580 [0,0,0,0,1,1|2,0,0]=4 129 B16R1.1332 CNC(=O)CNC1=C(C=CC=C1)C(=O)NC Z106792250 [0,0,0,0,0,2|2,0,0]=4 130 B16R1.1332 COC(=O)CSC1=C(C=NC=N1)C(=O)OC Z1982591025 [0,0,0,0,0,2|2,0,0]=4