0 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 CCOC(=O)C1CCC=CC1 CSC011212228 [0,0,0,0,0,0|0,0,4]=4 4 B11R1.16 CCOC(=O)C1CCC=CO1 CSC000082644 [0,0,0,0,0,0|1,0,3]=4 5 B11R1.16 CCOC(=O)c1ccccn1 CSC000169882 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.16 CCOC(=O)c1ccncc1 CSC000169898 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.16 CCOC(=O)c1ccncn1 CSC012000388 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.16 CCOC(=O)c1cnccn1 CSC000170199 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.16 CCOC(=O)c1cncnc1 CSC011934276 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 ONC(=O)c1cccnc1 CSC000190125 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,0,0,0,0,0|0,1,1]=3 16 B10R1.17 COCSc1ccccc1 CSC000000817 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.16 CCNC(=O)c1ccc(cc1)Br CSC000155174 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.16 CCNC(=O)c1ccc(cc1)C CSC000160135 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.16 CCNC(=O)c1ccc(cc1)Cl CSC000160097 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.16 CCNC(=O)c1ccc(cc1)F CSC000160094 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.16 CCNC(=O)c1ccc(cc1)I CSC000155177 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.16 CCNC(=O)c1ccc(cc1)N CSC000741011 [0,1,0,0,0,0|1,0,0]=2 25 B12R1.16 CCNC(=O)c1ccc(cn1)Br CSC011781264 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.16 CCOC(=O)c1cc[n+](cc1)[O-] CSC000005895 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.16 CCOC(=O)c1ccc(cc1)Br CSC000169895 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.16 CCOC(=O)c1ccc(cc1)Cl CSC000169919 [0,1,0,0,0,0|0,0,0]=1 30 B12R1.16 CCOC(=O)c1ccc(cc1)F CSC000169906 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.16 CCOC(=O)c1ccc(cc1)I CSC000170077 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.16 CCOC(=O)c1ccc(cn1)Br CSC011781174 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.16 CCOC(=O)c1ccc(cn1)F CSC012003450 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.16 CCOC(=O)c1ccc(nc1)C CSC011213257 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.16 CCOC(=O)c1ccc(nc1)F CSC012183745 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.17 CCNC(=O)c1cc(ccn1)Cl CSC000194128 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.17 CCNC(=O)c1cccc(c1)Br CSC000155180 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.17 CCNC(=O)c1cccc(c1)C CSC000160206 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.17 CCNC(=O)c1cccc(c1)Cl CSC000160110 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.17 CCNC(=O)c1cccc(c1)F CSC000160200 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.17 CCNC(=O)c1cccc(c1)I CSC000155182 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.17 CCNC(=O)c1cccc(c1)N CSC000181407 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.17 CCOC(=O)c1cccc(c1)Br CSC000170152 [0,1,0,0,0,0|0,0,0]=1 44 B12R1.17 CCOC(=O)c1cccc(c1)C CSC000170498 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.17 CCOC(=O)c1cccc(c1)Cl CSC000170058 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.17 CCOC(=O)c1cccc(c1)F CSC000170323 [0,1,0,0,0,0|0,0,0]=1 47 B12R1.17 CCOC(=O)c1cccc(c1)I CSC000170211 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.17 CCOC(=O)c1cccc(c1)O CSC000169910 [0,1,0,0,0,0|0,0,0]=1 49 B12R1.17 CCOC(=O)c1ccnc(c1)C CSC011935281 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.17 CCOC(=O)c1cncc(c1)Br CSC000170250 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.17 CCOC(=O)c1cncc(c1)F CSC012017147 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.17 CCOC(=O)c1cncc(c1)O CSC000185702 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.30 C=CCNC(=O)c1ccccc1 CSC000160304 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.30 C=CCNC(=O)c1cccnc1 CSC000160286 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.30 C=CCOC(=O)c1ccccc1 CSC000006409 [0,1,0,0,0,0|0,0,1]=2 56 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.30 CCCOC(=O)c1ccccn1 CSC000169884 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.30 CN(CCCN)c1ccccc1 CSC000211881 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.30 NCCNC(=O)c1ccccn1 CSC011198448 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.30 NCCNC(=O)c1ccncc1 CSC011198449 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.30 O=C(NCC#C)c1ccccc1 CSC000175919 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.30 O=C(OCC#C)c1ccccc1 CSC000006640 [0,1,0,0,0,0|0,0,1]=2 66 B12R1.30 OCCNC(=O)c1ccccn1 CSC000158865 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.34 CCC(=O)N(C)c1ccccc1 CSC000158323 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.39 CCCS(=O)(=O)c1ccccc1 CSC000031128 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.39 CCNS(=O)(=O)c1ccccc1 CSC000165186 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.39 CCNS(=O)(=O)c1cccnc1 CSC011280848 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.39 OCCS(=O)(=O)c1ccccc1 CSC011215558 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.107 CC(C)NC(=O)c1ccccc1 CSC000157549 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.107 CC(C)NC(=O)c1cccnc1 CSC000157531 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.107 CC(C)OC(=O)c1ccccc1 CSC000170135 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.107 CC(C)OC(=O)c1ccccn1 CSC000169883 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,1,0,0,0,0|1,0,2]=4 77 B12R1.308 CCNC(=O)c1ccccc1Br CSC000155173 [0,1,0,0,0,0|1,0,0]=2 78 B12R1.308 CCNC(=O)c1ccccc1C CSC000160149 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.308 CCNC(=O)c1ccccc1Cl CSC000160087 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.308 CCNC(=O)c1ccccc1F CSC000160117 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.308 CCNC(=O)c1ccccc1I CSC000155181 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.308 CCNC(=O)c1ccccc1N CSC000205978 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.308 CCNC(=O)c1ccccc1O CSC000192205 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.308 CCOC(=O)c1ccccc1Br CSC000169876 [0,1,0,0,0,0|0,0,0]=1 85 B12R1.308 CCOC(=O)c1ccccc1C CSC000170245 [0,1,0,0,0,0|0,0,0]=1 86 B12R1.308 CCOC(=O)c1ccccc1Cl CSC000169879 [0,1,0,0,0,0|0,0,0]=1 87 B12R1.308 CCOC(=O)c1ccccc1F CSC000170099 [0,1,0,0,0,0|0,0,0]=1 88 B12R1.308 CCOC(=O)c1ccccc1I CSC000170190 [0,1,0,0,0,0|0,0,0]=1 89 B12R1.308 CCOC(=O)c1ccccc1O CSC000169922 [0,1,0,0,0,0|0,0,0]=1 90 B12R1.308 CCOC(=O)c1cccnc1C CSC000750000 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.308 CCOC(=O)c1ccncc1Br CSC010238393 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.308 CCOC(=O)c1cnccc1C CSC000728538 [0,1,0,0,0,0|1,0,0]=2 93 B12R1.308 CCOC(=O)c1cnccc1Cl CSC000708780 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.308 CCOC(=O)c1ncccc1C CSC000725470 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.308 CCOC(=O)c1ncccc1F CSC000106390 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.308 CCOC(=O)c1nccnc1C CSC000094559 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.308 CCOC(=O)c1nccnc1N CSC000246222 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.11 CCNC(=O)c1cccs1 CSC000160180 [0,0,0,0,1,0|2,0,0]=3 99 B10R1.11 CCNC(=O)c1cnco1 CSC016126841 [0,0,0,0,1,0|3,0,0]=4 100 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,0,0,0,1,0|0,0,3]=4 101 B10R1.11 CCOC(=O)C1CC=CC1 CSC011934596 [0,0,0,0,1,0|0,0,3]=4 102 B10R1.11 CCOC(=O)c1ccco1 CSC000169938 [0,0,0,0,1,0|1,0,0]=2 103 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [0,0,0,0,1,0|1,0,0]=2 104 B10R1.11 CCOC(=O)c1ccoc1 CSC011213098 [0,0,0,0,1,0|1,0,0]=2 105 B10R1.11 CCOC(=O)c1ccsc1 CSC011212746 [0,0,0,0,1,0|1,0,0]=2 106 B10R1.11 CCOC(=O)c1nccs1 CSC011468584 [0,0,0,0,1,0|2,0,0]=3 107 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [0,0,0,0,0,1|1,0,0]=2 108 B12R1.32 CCNC(=O)Nc1ccccc1 CSC000163281 [0,0,0,0,0,1|1,0,0]=2 109 B12R1.32 CCNC(=O)Nc1ccncc1 CSC000181110 [0,0,0,0,0,1|2,0,0]=3 110 B12R1.32 CNCC(=O)Nc1ccccc1 CSC000168086 [0,0,0,0,0,1|2,0,0]=3 111 B12R1.32 CNCC(=O)Nc1cccnc1 CSC011225664 [0,0,0,0,0,1|3,0,0]=4 112 B12R1.32 COCC(=O)Nc1cccnc1 CSC000159174 [0,0,0,0,0,1|3,0,0]=4 113 B12R1.32 COCC(=O)Nc1ccncc1 CSC000186599 [0,0,0,0,0,1|3,0,0]=4 114 B12R1.32 NCCC(=O)Nc1ccccc1 CSC011195676 [0,0,0,0,0,1|2,0,0]=3 115 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [2,0,0,0,0,0|2,0,0]=4 117 B11R1.7 CCS(=O)(=O)c1ccccc1 CSC000031125 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.7 CNS(=O)(=O)c1ccccc1 CSC000165098 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.22 CNC(=O)c1ccc(cc1)C CSC000159850 [1,1,0,0,0,0|1,0,0]=3 121 B11R1.22 CNC(=O)c1ccc(cc1)Cl CSC000159809 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.22 CNC(=O)c1ccc(cc1)F CSC000159806 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.22 COC(=O)c1cc[n+](cc1)[O-] CSC000000494 [1,1,0,0,0,0|1,0,0]=3 124 B11R1.22 COC(=O)c1ccc(cc1)Cl CSC000150334 [1,1,0,0,0,0|0,0,0]=2 125 B11R1.22 COC(=O)c1ccc(cc1)F CSC000150329 [1,1,0,0,0,0|0,0,0]=2 126 B11R1.22 COC(=O)c1ccc(cn1)Br CSC000697650 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.22 COC(=O)c1ccc(cn1)Cl CSC000743185 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.22 COC(=O)c1ccc(cn1)F CSC012017284 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.22 COC(=O)c1ccc(nc1)C CSC000740734 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.22 COC(=O)c1ccc(nc1)F CSC011934332 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.22 COC(=O)c1cnc(cn1)C CSC000149074 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.22 NNC(=O)c1ccc(cc1)I CSC000189773 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.22 NNC(=O)c1ccc(cc1)N CSC000186298 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.23 CNC(=O)c1cccc(c1)Br CSC000155082 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.23 CNC(=O)c1cccc(c1)C CSC000159928 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.23 CNC(=O)c1cccc(c1)Cl CSC000159822 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.23 CNC(=O)c1cccc(c1)F CSC000159920 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.23 CNC(=O)c1cccc(c1)I CSC000155084 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.23 CNC(=O)c1cccc(c1)O CSC000159807 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.23 CNC(=O)c1cncc(c1)Br CSC000155086 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 CSC011935111 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.23 COC(=O)c1cccc(c1)Br CSC000148679 [1,1,0,0,0,0|0,0,0]=2 143 B11R1.23 COC(=O)c1cccc(c1)C CSC000149472 [1,1,0,0,0,0|0,0,0]=2 144 B11R1.23 COC(=O)c1cccc(c1)Cl CSC000150768 [1,1,0,0,0,0|0,0,0]=2 145 B11R1.23 COC(=O)c1cccc(c1)F CSC000148988 [1,1,0,0,0,0|0,0,0]=2 146 B11R1.23 COC(=O)c1cccc(c1)I CSC000148848 [1,1,0,0,0,0|0,0,0]=2 147 B11R1.23 COC(=O)c1cccc(c1)O CSC000150331 [1,1,0,0,0,0|0,0,0]=2 148 B11R1.23 COC(=O)c1cccc(n1)C CSC000741576 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.23 COC(=O)c1cccc(n1)F CSC000724373 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.23 COC(=O)c1ccnc(c1)C CSC012001301 [1,1,0,0,0,0|1,0,0]=3 151 B11R1.23 COC(=O)c1ccnc(c1)F CSC011581676 [1,1,0,0,0,0|1,0,0]=3 152 B11R1.23 COC(=O)c1ccnc(n1)C CSC000054160 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.23 COC(=O)c1cncc(c1)F CSC000698520 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.23 COC(=O)c1cncc(c1)O CSC000687108 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.23 Cc1cccc(c1)C(=O)NN CSC000189845 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.23 NNC(=O)c1cccc(c1)Br CSC000189783 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.23 NNC(=O)c1cccc(c1)F CSC000189798 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.23 NNC(=O)c1cccc(c1)I CSC000186306 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.36 CN(C)C(=O)c1ccccc1 CSC000159565 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.36 CN(C)C(=O)c1cccnc1 CSC000159538 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [1,1,0,0,0,0|1,0,0]=3 164 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.222 CNC(=O)c1cccnc1C CSC011922290 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.222 COC(=O)c1ccccc1Cl CSC000150121 [1,1,0,0,0,0|0,0,0]=2 171 B11R1.222 COC(=O)c1ccccc1I CSC000148710 [1,1,0,0,0,0|0,0,0]=2 172 B11R1.222 COC(=O)c1cccnc1C CSC011216498 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.222 COC(=O)c1cccnc1F CSC011934352 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.222 COC(=O)c1ccncc1Br CSC010008606 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.222 COC(=O)c1ccncc1C CSC011934321 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.222 COC(=O)c1ccncc1Cl CSC000699585 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.222 COC(=O)c1ccncc1F CSC000702545 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.222 COC(=O)c1cnccc1C CSC011999757 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.222 COC(=O)c1cnccc1Cl CSC012001583 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.222 COC(=O)c1ncccc1Br CSC011935214 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.222 COC(=O)c1ncccc1Cl CSC000093117 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.222 COC(=O)c1ncccc1F CSC000084157 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.222 COC(=O)c1nccnc1C CSC000090199 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.222 NNC(=O)c1ccccc1Cl CSC000186534 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.222 NNC(=O)c1ccccc1I CSC000190081 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.222 NNC(=O)c1ccccc1O CSC000186518 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [1,1,0,0,0,0|0,1,1]=4 197 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [1,1,0,0,0,0|0,1,1]=4 198 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [1,1,0,0,0,0|0,1,1]=4 199 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [1,1,0,0,0,0|0,1,1]=4 200 B11R1.17 CCCOc1ccccc1Br CSC000174042 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.17 CCCOc1ccccc1C CSC000169983 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.17 CCCOc1ccccc1F CSC000173322 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.17 CCCSc1ccccc1Br CSC000230854 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.17 CCNCc1ccccc1F CSC000201217 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [1,1,0,0,0,0|0,1,1]=4 207 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [1,1,0,0,0,0|0,1,1]=4 214 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [1,1,0,0,0,0|0,1,1]=4 215 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [1,1,0,0,0,0|0,1,1]=4 216 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,1,0,0,0,0|0,1,1]=4 219 B11R1.28 COCCOc1ccccc1 CSC000757042 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.28 COCCSc1ccccc1 CSC025761232 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.28 CSCCOc1ccccc1 CSC000148400 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,1,0,0,0,0|0,1,1]=4 226 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,1,0,0,0,0|0,0,2]=4 231 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [1,1,0,0,0,0|0,1,1]=4 232 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.15 CCNC(=O)c1ccc(o1)Br CSC000160144 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.15 CCNC(=O)c1ccc(s1)Br CSC000155171 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.15 CCOC(=O)c1cc(c[nH]1)Br CSC000704357 [0,1,0,0,1,0|1,0,0]=3 236 B11R1.15 CCOC(=O)c1cc(c[nH]1)Cl CSC011213015 [0,1,0,0,1,0|1,0,0]=3 237 B11R1.15 CCOC(=O)c1cc(n[nH]1)C CSC000737174 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.15 CCOC(=O)c1cc(no1)C CSC000246254 [0,1,0,0,1,0|2,0,0]=4 239 B11R1.15 CCOC(=O)c1ccc(o1)Br CSC000170220 [0,1,0,0,1,0|1,0,0]=3 240 B11R1.15 CCOC(=O)c1ccc(s1)Br CSC000172375 [0,1,0,0,1,0|1,0,0]=3 241 B11R1.15 CCOC(=O)c1ccc(s1)Cl CSC000174088 [0,1,0,0,1,0|1,0,0]=3 242 B11R1.15 CCOC(=O)c1ccn(n1)C CSC011997104 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.15 CCOC(=O)c1cn(cn1)C CSC012002520 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.15 CCOC(=O)c1cnc(s1)C CSC011594455 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.15 CCOC(=O)c1cnn(c1)C CSC000725471 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.15 CCOC(=O)c1coc(c1)C CSC000708973 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.15 CCOC(=O)c1coc(n1)C CSC000070820 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.15 CCOC(=O)c1csc(c1)Br CSC011228516 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.15 CCOC(=O)c1nc(cs1)C CSC000759411 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.29 CCCNC(=O)c1ccco1 CSC000161707 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.29 CCCNC(=O)c1cccs1 CSC000161765 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.29 CCCOC(=O)c1ccco1 CSC000169940 [0,1,0,0,1,0|1,0,0]=3 253 B11R1.29 OCCNC(=O)c1ccco1 CSC000158878 [0,1,0,0,1,0|2,0,0]=4 254 B11R1.29 OCCNC(=O)c1cccs1 CSC000158953 [0,1,0,0,1,0|2,0,0]=4 255 B11R1.77 CC(C)NC(=O)c1ccco1 CSC000157534 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.77 CC(C)NC(=O)c1cccs1 CSC000157592 [0,1,0,0,1,0|2,0,0]=4 257 B11R1.77 CC(C)OC(=O)c1cc[nH]n1 CSC011263954 [0,1,0,0,1,0|2,0,0]=4 258 B11R1.199 CCNC(=O)c1cccn1C CSC000174173 [0,1,0,0,1,0|2,0,0]=4 259 B11R1.199 CCNC(=O)c1ccoc1C CSC000206257 [0,1,0,0,1,0|2,0,0]=4 260 B11R1.199 CCOC(=O)c1c[nH]cc1C CSC000047047 [0,1,0,0,1,0|1,0,0]=3 261 B11R1.199 CCOC(=O)c1cc[nH]c1C CSC000074837 [0,1,0,0,1,0|1,0,0]=3 262 B11R1.199 CCOC(=O)c1cccn1C CSC000170828 [0,1,0,0,1,0|1,0,0]=3 263 B11R1.199 CCOC(=O)c1ccnn1C CSC011581699 [0,1,0,0,1,0|2,0,0]=4 264 B11R1.199 CCOC(=O)c1ccoc1C CSC011212792 [0,1,0,0,1,0|1,0,0]=3 265 B11R1.199 CCOC(=O)c1ccsc1C CSC012181354 [0,1,0,0,1,0|1,0,0]=3 266 B11R1.199 CCOC(=O)c1cn[nH]c1C CSC011191310 [0,1,0,0,1,0|2,0,0]=4 267 B11R1.199 CCOC(=O)c1conc1C CSC000034737 [0,1,0,0,1,0|2,0,0]=4 268 B11R1.199 CCOC(=O)c1csnc1C CSC009882359 [0,1,0,0,1,0|2,0,0]=4 269 B11R1.199 CCOC(=O)c1ncoc1C CSC000698399 [0,1,0,0,1,0|2,0,0]=4 270 B11R1.199 CCOC(=O)c1sccc1Br CSC011435733 [0,1,0,0,1,0|1,0,0]=3 271 B11R1.199 CCOC(=O)c1scnc1Br CSC012038550 [0,1,0,0,1,0|2,0,0]=4 272 B13R1.19 CCCC(=O)Nc1ccc(cc1)C CSC000153931 [0,1,0,0,0,1|1,0,0]=3 273 B13R1.19 CCCC(=O)Nc1ccc(cc1)F CSC000153717 [0,1,0,0,0,1|1,0,0]=3 274 B13R1.19 CCCC(=O)Nc1ccc(cc1)I CSC000155221 [0,1,0,0,0,1|1,0,0]=3 275 B13R1.19 CCCC(=O)Nc1ccc(cc1)O CSC011217123 [0,1,0,0,0,1|1,0,0]=3 276 B13R1.19 CCCC(=O)Nc1ccc(cn1)Br CSC000193317 [0,1,0,0,0,1|2,0,0]=4 277 B13R1.19 CCCC(=O)Nc1ccc(cn1)C CSC016198349 [0,1,0,0,0,1|2,0,0]=4 278 B13R1.19 CCCC(=O)Nc1ccc(cn1)Cl CSC000016800 [0,1,0,0,0,1|2,0,0]=4 279 B13R1.19 CCCC(=O)Nc1ccc(cn1)I CSC000243772 [0,1,0,0,0,1|2,0,0]=4 280 B13R1.19 CCCC(=O)Oc1ccc(cc1)C CSC000001889 [0,1,0,0,0,1|1,0,0]=3 281 B13R1.19 CCCC(=O)Oc1ccc(cc1)Cl CSC000001866 [0,1,0,0,0,1|1,0,0]=3 282 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br CSC000155194 [0,1,0,0,0,1|1,0,0]=3 283 B13R1.19 CCNC(=O)Cc1ccc(cc1)C CSC000206254 [0,1,0,0,0,1|1,0,0]=3 284 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl CSC000160162 [0,1,0,0,0,1|1,0,0]=3 285 B13R1.19 CCNC(=O)Cc1ccc(cc1)F CSC000160178 [0,1,0,0,0,1|1,0,0]=3 286 B13R1.19 CCNC(=O)Nc1ccc(cc1)Br CSC000163293 [0,1,0,0,0,1|1,0,0]=3 287 B13R1.19 CCNC(=O)Nc1ccc(cc1)F CSC000163323 [0,1,0,0,0,1|1,0,0]=3 288 B13R1.19 CCNC(=O)Nc1ccc(cc1)I CSC000163513 [0,1,0,0,0,1|1,0,0]=3 289 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br CSC000170549 [0,1,0,0,0,1|0,0,0]=2 290 B13R1.19 CCOC(=O)Cc1ccc(cc1)C CSC011212846 [0,1,0,0,0,1|0,0,0]=2 291 B13R1.19 CCOC(=O)Cc1ccc(cc1)Cl CSC000170305 [0,1,0,0,0,1|0,0,0]=2 292 B13R1.19 CCOC(=O)Cc1ccc(cc1)I CSC012353677 [0,1,0,0,0,1|0,0,0]=2 293 B13R1.19 CCOC(=O)Cc1ccc(cc1)O CSC011212766 [0,1,0,0,0,1|0,0,0]=2 294 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br CSC000168009 [0,1,0,0,0,1|2,0,0]=4 295 B13R1.19 CNCC(=O)Nc1ccc(cc1)F CSC000168088 [0,1,0,0,0,1|2,0,0]=4 296 B13R1.19 CNCC(=O)Nc1ccc(cc1)I CSC000168082 [0,1,0,0,0,1|2,0,0]=4 297 B13R1.19 COCC(=O)Nc1ccc(cc1)Br CSC000158344 [0,1,0,0,0,1|2,0,0]=4 298 B13R1.19 COCC(=O)Nc1ccc(cc1)C CSC000158529 [0,1,0,0,0,1|2,0,0]=4 299 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl CSC000158563 [0,1,0,0,0,1|2,0,0]=4 300 B13R1.19 COCC(=O)Nc1ccc(cc1)F CSC000159262 [0,1,0,0,0,1|2,0,0]=4 301 B13R1.19 COCC(=O)Nc1ccc(cc1)I CSC000160238 [0,1,0,0,0,1|2,0,0]=4 302 B13R1.19 COCC(=O)Oc1ccc(cc1)Cl CSC000030512 [0,1,0,0,0,1|2,0,0]=4 303 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br CSC000153563 [0,1,0,0,0,1|2,0,0]=4 304 B13R1.19 CSCC(=O)Nc1ccc(cc1)O CSC011239031 [0,1,0,0,0,1|2,0,0]=4 305 B13R1.19 Cc1ccc(cc1)NC(=O)CCN CSC011195646 [0,1,0,0,0,1|2,0,0]=4 306 B13R1.19 NCCC(=O)Nc1ccc(cc1)Br CSC000743076 [0,1,0,0,0,1|2,0,0]=4 307 B13R1.19 NCCC(=O)Nc1ccc(cc1)Cl CSC011211768 [0,1,0,0,0,1|2,0,0]=4 308 B13R1.19 NCCC(=O)Nc1ccc(cc1)F CSC011195649 [0,1,0,0,0,1|2,0,0]=4 309 B13R1.20 CCCC(=O)Nc1cc(ccn1)C CSC015798165 [0,1,0,0,0,1|2,0,0]=4 310 B13R1.20 CCCC(=O)Nc1cccc(c1)Br CSC000153622 [0,1,0,0,0,1|1,0,0]=3 311 B13R1.20 CCCC(=O)Nc1cccc(c1)C CSC000153653 [0,1,0,0,0,1|1,0,0]=3 312 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl CSC000153959 [0,1,0,0,0,1|1,0,0]=3 313 B13R1.20 CCCC(=O)Nc1cccc(c1)F CSC000153971 [0,1,0,0,0,1|1,0,0]=3 314 B13R1.20 CCCC(=O)Nc1cccc(c1)O CSC000158605 [0,1,0,0,0,1|1,0,0]=3 315 B13R1.20 CCNC(=O)Cc1cccc(c1)Br CSC011713800 [0,1,0,0,0,1|1,0,0]=3 316 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl CSC011795137 [0,1,0,0,0,1|1,0,0]=3 317 B13R1.20 CCNC(=O)Cc1cccc(c1)F CSC000160229 [0,1,0,0,0,1|1,0,0]=3 318 B13R1.20 CCNC(=O)Cc1cccc(c1)N CSC011690098 [0,1,0,0,0,1|1,0,0]=3 319 B13R1.20 CCNC(=O)Nc1cccc(c1)Br CSC000163297 [0,1,0,0,0,1|1,0,0]=3 320 B13R1.20 CCNC(=O)Nc1cccc(c1)F CSC000163368 [0,1,0,0,0,1|1,0,0]=3 321 B13R1.20 CCNC(=O)Nc1cccc(c1)I CSC000163674 [0,1,0,0,0,1|1,0,0]=3 322 B13R1.20 CCOC(=O)Cc1cccc(c1)Br CSC011586817 [0,1,0,0,0,1|0,0,0]=2 323 B13R1.20 CCOC(=O)Cc1cccc(c1)F CSC000171471 [0,1,0,0,0,1|0,0,0]=2 324 B13R1.20 CCOC(=O)Cc1cccc(c1)O CSC011472689 [0,1,0,0,0,1|0,0,0]=2 325 B13R1.20 CNCC(=O)Nc1cccc(c1)Br CSC000168061 [0,1,0,0,0,1|2,0,0]=4 326 B13R1.20 CNCC(=O)Nc1cccc(c1)C CSC000168055 [0,1,0,0,0,1|2,0,0]=4 327 B13R1.20 COCC(=O)Nc1cccc(c1)Br CSC000158352 [0,1,0,0,0,1|2,0,0]=4 328 B13R1.20 COCC(=O)Nc1cccc(c1)C CSC000158358 [0,1,0,0,0,1|2,0,0]=4 329 B13R1.20 COCC(=O)Nc1cccc(c1)Cl CSC000158544 [0,1,0,0,0,1|2,0,0]=4 330 B13R1.20 COCC(=O)Nc1cccc(c1)F CSC000158549 [0,1,0,0,0,1|2,0,0]=4 331 B13R1.20 Cc1cccc(c1)NC(=O)CCN CSC011195692 [0,1,0,0,0,1|2,0,0]=4 332 B13R1.20 NCCC(=O)Nc1cccc(c1)F CSC011195648 [0,1,0,0,0,1|2,0,0]=4 333 B13R1.44 C=CCCC(=O)Nc1ccccc1 CSC000059235 [0,1,0,0,0,1|1,0,1]=4 334 B13R1.44 C=CCNC(=O)Nc1ccccc1 CSC000178628 [0,1,0,0,0,1|1,0,1]=4 335 B13R1.44 CCCCC(=O)Nc1ccccn1 CSC000017111 [0,1,0,0,0,1|2,0,0]=4 336 B13R1.44 CCCCC(=O)Oc1ccccc1 CSC000001940 [0,1,0,0,0,1|1,0,0]=3 337 B13R1.44 CCCCS(=O)Cc1ccccc1 CSC019146419 [0,1,0,0,0,1|2,0,0]=4 338 B13R1.44 CCCNC(=O)Nc1ccccn1 CSC000008274 [0,1,0,0,0,1|2,0,0]=4 339 B13R1.44 CCCNC(=O)Nc1cccnc1 CSC000163456 [0,1,0,0,0,1|2,0,0]=4 340 B13R1.44 CCOCC(=O)Nc1ccccc1 CSC000158316 [0,1,0,0,0,1|0,0,0]=2 341 B13R1.44 CCSCC(=O)Nc1ccccc1 CSC000053100 [0,1,0,0,0,1|0,1,0]=3 342 B13R1.44 CNCCC(=O)Nc1ccccc1 CSC011384505 [0,1,0,0,0,1|1,0,0]=3 343 B13R1.44 CNCCC(=O)Nc1cccnc1 CSC011534620 [0,1,0,0,0,1|2,0,0]=4 344 B13R1.44 NCCCC(=O)Nc1cccnc1 CSC011211775 [0,1,0,0,0,1|2,0,0]=4 345 B13R1.44 NCCCC(=O)Nc1ccncc1 CSC011225878 [0,1,0,0,0,1|2,0,0]=4 346 B13R1.44 NCCNC(=O)Nc1ccccc1 CSC011374578 [0,1,0,0,0,1|1,0,0]=3 347 B13R1.44 OCCNC(=O)Nc1ccccc1 CSC000212871 [0,1,0,0,0,1|1,0,0]=3 348 B13R1.47 CCOC(=O)C(C)c1ccccc1 CSC011214903 [0,1,0,0,0,1|0,0,0]=2 349 B13R1.47 CCOC(=O)C(O)c1ccccc1 CSC000174076 [0,1,0,0,0,1|0,0,0]=2 350 B13R1.47 CCOC(=O)[C@@H](O)c1ccccc1 CSC009816355 [0,1,0,0,0,1|0,0,0]=2 351 B13R1.47 CCOC(=O)[C@H](O)c1ccccc1 CSC009816354 [0,1,0,0,0,1|0,0,0]=2 352 B13R1.47 CN(C(=O)CCN)c1ccccc1 CSC000739442 [0,1,0,0,0,1|2,0,0]=4 353 B13R1.47 COCC(=O)N(C)c1ccccc1 CSC000158329 [0,1,0,0,0,1|2,0,0]=4 354 B13R1.135 CCC(C)C(=O)Nc1ccccc1 CSC011195862 [0,1,0,0,0,1|1,0,0]=3 355 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 CSC000027866 [0,1,0,0,0,1|2,0,0]=4 356 B13R1.348 CC(C)CC(=O)Nc1ccccc1 CSC000153490 [0,1,0,0,0,1|1,0,0]=3 357 B13R1.348 CC(C)CC(=O)Nc1ccccn1 CSC000017119 [0,1,0,0,0,1|2,0,0]=4 358 B13R1.348 CC(C)CC(=O)Nc1ccncc1 CSC015261223 [0,1,0,0,0,1|2,0,0]=4 359 B13R1.348 CC(C)NC(=O)Nc1ccccc1 CSC000163078 [0,1,0,0,0,1|1,0,0]=3 360 B13R1.348 CN(C)CC(=O)Nc1ccccc1 CSC000167966 [0,1,0,0,0,1|2,0,0]=4 361 B13R1.470 CCCC(=O)Nc1ccccc1Br CSC000153530 [0,1,0,0,0,1|1,0,0]=3 362 B13R1.470 CCCC(=O)Nc1ccccc1C CSC000153665 [0,1,0,0,0,1|1,0,0]=3 363 B13R1.470 CCCC(=O)Nc1ccccc1N CSC011203044 [0,1,0,0,0,1|1,0,0]=3 364 B13R1.470 CCCC(=O)Nc1ccccc1O CSC000191719 [0,1,0,0,0,1|1,0,0]=3 365 B13R1.470 CCNC(=O)Cc1ccccc1Cl CSC000160231 [0,1,0,0,0,1|1,0,0]=3 366 B13R1.470 CCNC(=O)Cc1ccccc1F CSC000160198 [0,1,0,0,0,1|1,0,0]=3 367 B13R1.470 CCNC(=O)Cc1ccccc1N CSC011193781 [0,1,0,0,0,1|1,0,0]=3 368 B13R1.470 CCNC(=O)Cn1ccccc1=O CSC000175644 [0,1,0,0,0,1|2,0,0]=4 369 B13R1.470 CCNC(=O)Nc1ccccc1Br CSC000163289 [0,1,0,0,0,1|1,0,0]=3 370 B13R1.470 CCNC(=O)Nc1ccccc1C CSC000163306 [0,1,0,0,0,1|1,0,0]=3 371 B13R1.470 CCNC(=O)Nc1ccccc1Cl CSC000163340 [0,1,0,0,0,1|1,0,0]=3 372 B13R1.470 CCNC(=O)Nc1ccccc1F CSC000163421 [0,1,0,0,0,1|1,0,0]=3 373 B13R1.470 CCNC(=O)Nc1ccccc1I CSC000163384 [0,1,0,0,0,1|1,0,0]=3 374 B13R1.470 CCOC(=O)Cc1ccccc1Br CSC011218996 [0,1,0,0,0,1|0,0,0]=2 375 B13R1.470 CCOC(=O)Cc1ccccc1C CSC011212630 [0,1,0,0,0,1|0,0,0]=2 376 B13R1.470 CCOC(=O)Cc1ccccc1Cl CSC000171482 [0,1,0,0,0,1|0,0,0]=2 377 B13R1.470 CNCC(=O)Nc1ccccc1C CSC000168062 [0,1,0,0,0,1|2,0,0]=4 378 B13R1.470 CNCC(=O)Nc1ccccc1F CSC000168117 [0,1,0,0,0,1|2,0,0]=4 379 B13R1.470 COCC(=O)Nc1ccccc1Br CSC000158336 [0,1,0,0,0,1|2,0,0]=4 380 B13R1.470 COCC(=O)Nc1ccccc1C CSC000158363 [0,1,0,0,0,1|2,0,0]=4 381 B13R1.470 COCC(=O)Nc1ccccc1Cl CSC000158511 [0,1,0,0,0,1|2,0,0]=4 382 B13R1.470 COCC(=O)Nc1ccccc1F CSC000159031 [0,1,0,0,0,1|2,0,0]=4 383 B13R1.470 Cc1ccccc1NC(=O)CCN CSC011202973 [0,1,0,0,0,1|2,0,0]=4 384 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 CSC000222301 [0,1,0,0,0,1|2,0,0]=4 385 B13R1.17 Brc1ccc(cc1)C(=O)NCC#C CSC000175925 [0,2,0,0,0,0|1,0,1]=4 386 B13R1.17 Brc1ccc(cc1)C(=O)NCC=C CSC000155314 [0,2,0,0,0,0|1,0,1]=4 387 B13R1.17 CCCNC(=O)c1ccc(cc1)Br CSC000152267 [0,2,0,0,0,0|1,0,0]=3 388 B13R1.17 CCCNC(=O)c1ccc(cc1)C CSC000161731 [0,2,0,0,0,0|1,0,0]=3 389 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl CSC000161703 [0,2,0,0,0,0|1,0,0]=3 390 B13R1.17 CCCNC(=O)c1ccc(cc1)F CSC000161700 [0,2,0,0,0,0|1,0,0]=3 391 B13R1.17 CCCNC(=O)c1ccc(cc1)I CSC000152269 [0,2,0,0,0,0|1,0,0]=3 392 B13R1.17 CCCNC(=O)c1ccc(cc1)N CSC000746451 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.17 CCCNC(=O)c1ccc(cn1)Br CSC011781247 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.17 CCCOC(=O)c1ccc(cc1)C CSC000170177 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.17 CCCOC(=O)c1ccc(cc1)F CSC000169908 [0,2,0,0,0,0|0,0,0]=2 396 B13R1.17 CCCOC(=O)c1ccc(cc1)O CSC000169887 [0,2,0,0,0,0|0,0,0]=2 397 B13R1.17 Cc1ccc(cc1)C(=O)NCC=C CSC000160313 [0,2,0,0,0,0|1,0,1]=4 398 B13R1.17 Cc1ccc(cc1)C(=O)NCCN CSC000743167 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.17 Cc1ccc(cc1)C(=O)NCCO CSC000158910 [0,2,0,0,0,0|1,0,0]=3 400 B13R1.17 Clc1ccc(cc1)C(=O)NCC=C CSC000160285 [0,2,0,0,0,0|1,0,1]=4 401 B13R1.17 Ic1ccc(cc1)C(=O)NCC=C CSC000155316 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.17 NCCNC(=O)c1ccc(cc1)F CSC000743757 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.17 NCCNC(=O)c1ccc(cn1)Br CSC011781064 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.17 Nc1ccc(cc1)C(=O)NCC=C CSC000742746 [0,2,0,0,0,0|1,0,1]=4 405 B13R1.17 OCCNC(=O)c1ccc(cc1)Br CSC000158904 [0,2,0,0,0,0|1,0,0]=3 406 B13R1.17 OCCNC(=O)c1ccc(cc1)F CSC000158870 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.17 OCCNC(=O)c1ccc(cc1)I CSC000158886 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.17 OCCOC(=O)c1ccc(cc1)O CSC000031026 [0,2,0,0,0,0|0,0,0]=2 409 B13R1.29 CCCS(=O)(=O)c1ccc(cc1)Br CSC010264448 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.29 CCCS(=O)(=O)c1ccc(cc1)C CSC000014201 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)F CSC000165196 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br CSC000152628 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.132 CC(C)NC(=O)c1ccc(cc1)C CSC000157558 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl CSC000157530 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F CSC000157527 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I CSC000152630 [0,2,0,0,0,0|1,0,0]=3 417 B13R1.132 CC(C)NC(=O)c1ccc(cc1)N CSC000742665 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.132 CC(C)OC(=O)c1ccc(cc1)C CSC000170176 [0,2,0,0,0,0|0,0,0]=2 419 B13R1.132 CC(C)OC(=O)c1ccc(cc1)F CSC000169907 [0,2,0,0,0,0|0,0,0]=2 420 B13R1.452 CCNC(=O)c1ccc(cc1)OC CSC000160114 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.452 CCOC(=O)c1ccc(cc1)C#N CSC000170228 [0,2,0,0,0,0|0,0,0]=2 422 B13R1.452 CCOC(=O)c1ccc(cc1)C=C CSC000073596 [0,2,0,0,0,0|0,0,0]=2 423 B13R1.452 CCOC(=O)c1ccc(cc1)CC CSC000170419 [0,2,0,0,0,0|0,0,0]=2 424 B13R1.452 CCOC(=O)c1ccc(cc1)OC CSC000170088 [0,2,0,0,0,0|0,0,0]=2 425 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br CSC012357431 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C CSC000160207 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.466 CCNC(=O)c1ccc(c(c1)C)N CSC000742543 [0,2,0,0,0,0|1,0,0]=3 428 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl CSC000160119 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F CSC000194126 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.466 CCNC(=O)c1ccc(c(c1)N)C CSC000740560 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)C CSC012359631 [0,2,0,0,0,0|0,0,0]=2 432 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)Cl CSC012356254 [0,2,0,0,0,0|0,0,0]=2 433 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)F CSC011934563 [0,2,0,0,0,0|0,0,0]=2 434 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)I CSC011294787 [0,2,0,0,0,0|0,0,0]=2 435 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)N CSC000736719 [0,2,0,0,0,0|0,0,0]=2 436 B13R1.466 CCOC(=O)c1ccc(c(c1)C)Br CSC012229600 [0,2,0,0,0,0|0,0,0]=2 437 B13R1.466 CCOC(=O)c1ccc(c(c1)C)C CSC000170501 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)Cl CSC000170108 [0,2,0,0,0,0|0,0,0]=2 439 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)F CSC012350785 [0,2,0,0,0,0|0,0,0]=2 440 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)I CSC012351148 [0,2,0,0,0,0|0,0,0]=2 441 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)N CSC011236251 [0,2,0,0,0,0|0,0,0]=2 442 B13R1.466 CCOC(=O)c1ccc(c(c1)F)Br CSC011533738 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.466 CCOC(=O)c1ccc(c(c1)F)Cl CSC012350790 [0,2,0,0,0,0|0,0,0]=2 444 B13R1.466 CCOC(=O)c1ccc(c(c1)F)F CSC000700069 [0,2,0,0,0,0|0,0,0]=2 445 B13R1.466 CCOC(=O)c1ccc(c(c1)F)I CSC000062897 [0,2,0,0,0,0|0,0,0]=2 446 B13R1.466 CCOC(=O)c1ccc(c(c1)F)N CSC011728592 [0,2,0,0,0,0|0,0,0]=2 447 B13R1.466 CCOC(=O)c1ccc(c(c1)I)C CSC011809547 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.466 CCOC(=O)c1ccc(c(c1)O)Br CSC012355281 [0,2,0,0,0,0|0,0,0]=2 449 B13R1.1511 CCNC(=O)c1ccc(cc1C)C CSC000160197 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C CSC000188181 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl CSC000160115 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F CSC000160214 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)N CSC011193778 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br CSC000215476 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl CSC000215479 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.1511 CCNC(=O)c1ccc(cc1F)F CSC000160182 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.1511 CCOC(=O)c1ccc(cc1Br)C CSC012350802 [0,2,0,0,0,0|0,0,0]=2 458 B13R1.1511 CCOC(=O)c1ccc(cc1Br)Cl CSC012359206 [0,2,0,0,0,0|0,0,0]=2 459 B13R1.1511 CCOC(=O)c1ccc(cc1C)Br CSC011327926 [0,2,0,0,0,0|0,0,0]=2 460 B13R1.1511 CCOC(=O)c1ccc(cc1C)C CSC000170473 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.1511 CCOC(=O)c1ccc(cc1C)Cl CSC012002885 [0,2,0,0,0,0|0,0,0]=2 462 B13R1.1511 CCOC(=O)c1ccc(cc1C)N CSC011558298 [0,2,0,0,0,0|0,0,0]=2 463 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)Br CSC011344750 [0,2,0,0,0,0|0,0,0]=2 464 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)C CSC012185120 [0,2,0,0,0,0|0,0,0]=2 465 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)Cl CSC000170092 [0,2,0,0,0,0|0,0,0]=2 466 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)F CSC000170552 [0,2,0,0,0,0|0,0,0]=2 467 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)I CSC000060723 [0,2,0,0,0,0|0,0,0]=2 468 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)N CSC011434793 [0,2,0,0,0,0|0,0,0]=2 469 B13R1.1511 CCOC(=O)c1ccc(cc1F)Br CSC011213034 [0,2,0,0,0,0|0,0,0]=2 470 B13R1.1511 CCOC(=O)c1ccc(cc1F)Cl CSC011206319 [0,2,0,0,0,0|0,0,0]=2 471 B13R1.1511 CCOC(=O)c1ccc(cc1F)F CSC000170383 [0,2,0,0,0,0|0,0,0]=2 472 B13R1.1511 CCOC(=O)c1ccc(cc1F)I CSC010244673 [0,2,0,0,0,0|0,0,0]=2 473 B13R1.1511 CCOC(=O)c1ccc(cc1F)N CSC011533655 [0,2,0,0,0,0|0,0,0]=2 474 B13R1.1511 CCOC(=O)c1ccc(cc1N)Cl CSC000170104 [0,2,0,0,0,0|0,0,0]=2 475 B13R1.1511 CCOC(=O)c1ccc(cc1N)F CSC011213038 [0,2,0,0,0,0|0,0,0]=2 476 B13R1.1511 CCOC(=O)c1ccc(cc1O)F CSC011997398 [0,2,0,0,0,0|0,0,0]=2 477 B13R1.1511 CCOC(=O)c1ccc(cc1O)O CSC000172288 [0,2,0,0,0,0|0,0,0]=2 478 B13R1.1511 CCOC(=O)c1cnc(nc1C)C CSC011996091 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.1511 CCOC(=O)c1cnc(nc1N)C CSC011334731 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.1511 CCOC(=O)c1ncc(cc1F)F CSC000106391 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.12 CCNC(=O)c1cccc(c1O)C CSC000192207 [0,2,0,0,0,0|1,0,0]=3 482 B13R1.12 CCOC(=O)c1cccc(c1Br)C CSC012353711 [0,2,0,0,0,0|0,0,0]=2 483 B13R1.12 CCOC(=O)c1cccc(c1C)Br CSC012298221 [0,2,0,0,0,0|0,0,0]=2 484 B13R1.12 CCOC(=O)c1cccc(c1C)F CSC000082645 [0,2,0,0,0,0|0,0,0]=2 485 B13R1.12 CCOC(=O)c1cccc(c1C)I CSC010168165 [0,2,0,0,0,0|0,0,0]=2 486 B13R1.12 CCOC(=O)c1cccc(c1C)N CSC011217555 [0,2,0,0,0,0|0,0,0]=2 487 B13R1.12 CCOC(=O)c1cccc(c1Cl)Cl CSC000170263 [0,2,0,0,0,0|0,0,0]=2 488 B13R1.12 CCOC(=O)c1cccc(c1F)Br CSC012359204 [0,2,0,0,0,0|0,0,0]=2 489 B13R1.12 CCOC(=O)c1cccc(c1F)Cl CSC012350793 [0,2,0,0,0,0|0,0,0]=2 490 B13R1.12 CCOC(=O)c1cccc(c1F)F CSC011722203 [0,2,0,0,0,0|0,0,0]=2 491 B13R1.12 CCOC(=O)c1cccc(c1N)C CSC000246248 [0,2,0,0,0,0|0,0,0]=2 492 B13R1.12 CCOC(=O)c1cccc(c1N)I CSC000055436 [0,2,0,0,0,0|0,0,0]=2 493 B13R1.18 CCCNC(=O)c1cccc(c1)Br CSC000152271 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.18 CCCNC(=O)c1cccc(c1)C CSC000161784 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.18 CCCNC(=O)c1cccc(c1)Cl CSC000161712 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.18 CCCNC(=O)c1cccc(c1)F CSC000161782 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.18 CCCNC(=O)c1cccc(c1)I CSC000152273 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.18 CCCNC(=O)c1cccc(c1)O CSC000161701 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.18 CCCNC(=O)c1cncc(c1)Br CSC000152275 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.18 CCCOC(=O)c1cccc(c1)Cl CSC000170060 [0,2,0,0,0,0|0,0,0]=2 501 B13R1.18 Cc1cccc(c1)C(=O)NCCN CSC000743480 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.18 Cc1cccc(c1)C(=O)NCCO CSC000158983 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.18 NCCNC(=O)c1cccc(c1)F CSC011198460 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.18 OCCNC(=O)c1cccc(c1)Cl CSC000158883 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.18 OCCNC(=O)c1cccc(c1)F CSC000158978 [0,2,0,0,0,0|1,0,0]=3 506 B13R1.18 OCCNC(=O)c1cccc(c1)I CSC000158916 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C CSC000165202 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.30 CCNS(=O)(=O)c1cccc(c1)N CSC011193830 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.147 CC(C)NC(=O)c1cc(ccn1)Cl CSC000194098 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br CSC000152632 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl CSC000157539 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.147 CC(C)NC(=O)c1cccc(c1)F CSC000157609 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.147 CC(C)NC(=O)c1cccc(c1)I CSC000152634 [0,2,0,0,0,0|1,0,0]=3 514 B13R1.147 CC(C)NC(=O)c1cccc(c1)N CSC000738563 [0,2,0,0,0,0|1,0,0]=3 515 B13R1.147 CC(C)NC(=O)c1cncc(c1)Br CSC000152636 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.147 CC(C)OC(=O)c1cccc(c1)Cl CSC000170059 [0,2,0,0,0,0|0,0,0]=2 517 B13R1.147 CC(C)OC(=O)c1cccc(c1)O CSC000169911 [0,2,0,0,0,0|0,0,0]=2 518 B13R1.446 CCNC(=O)c1cc(ccc1Br)F CSC000205872 [0,2,0,0,0,0|1,0,0]=3 519 B13R1.446 CCNC(=O)c1cc(ccc1C)C CSC000160160 [0,2,0,0,0,0|1,0,0]=3 520 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br CSC000155187 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl CSC000160153 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.446 CCNC(=O)c1cc(ccc1F)F CSC000194127 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.446 CCOC(=O)c1cc(ccc1Br)Br CSC012354135 [0,2,0,0,0,0|0,0,0]=2 524 B13R1.446 CCOC(=O)c1cc(ccc1Br)F CSC011206316 [0,2,0,0,0,0|0,0,0]=2 525 B13R1.446 CCOC(=O)c1cc(ccc1Br)I CSC012360513 [0,2,0,0,0,0|0,0,0]=2 526 B13R1.446 CCOC(=O)c1cc(ccc1C)Br CSC012257361 [0,2,0,0,0,0|0,0,0]=2 527 B13R1.446 CCOC(=O)c1cc(ccc1C)I CSC012360117 [0,2,0,0,0,0|0,0,0]=2 528 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Br CSC000170345 [0,2,0,0,0,0|0,0,0]=2 529 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Cl CSC000170266 [0,2,0,0,0,0|0,0,0]=2 530 B13R1.446 CCOC(=O)c1cc(ccc1Cl)F CSC012350807 [0,2,0,0,0,0|0,0,0]=2 531 B13R1.446 CCOC(=O)c1cc(ccc1Cl)I CSC012339456 [0,2,0,0,0,0|0,0,0]=2 532 B13R1.446 CCOC(=O)c1cc(ccc1Cl)N CSC000743451 [0,2,0,0,0,0|0,0,0]=2 533 B13R1.446 CCOC(=O)c1cc(ccc1Cl)O CSC012359385 [0,2,0,0,0,0|0,0,0]=2 534 B13R1.446 CCOC(=O)c1cc(ccc1F)C CSC011692780 [0,2,0,0,0,0|0,0,0]=2 535 B13R1.446 CCOC(=O)c1cc(ccc1F)F CSC011212756 [0,2,0,0,0,0|0,0,0]=2 536 B13R1.446 CCOC(=O)c1cc(ccc1F)I CSC012350801 [0,2,0,0,0,0|0,0,0]=2 537 B13R1.446 CCOC(=O)c1cc(ccc1I)Br CSC000171027 [0,2,0,0,0,0|0,0,0]=2 538 B13R1.446 CCOC(=O)c1cc(ccc1N)C CSC011246167 [0,2,0,0,0,0|0,0,0]=2 539 B13R1.446 CCOC(=O)c1cc(ccc1N)Cl CSC000172376 [0,2,0,0,0,0|0,0,0]=2 540 B13R1.446 CCOC(=O)c1cc(ccc1O)Br CSC000174078 [0,2,0,0,0,0|0,0,0]=2 541 B13R1.446 CCOC(=O)c1cc(ccc1O)C CSC011212139 [0,2,0,0,0,0|0,0,0]=2 542 B13R1.446 CCOC(=O)c1cc(ccc1O)O CSC011934247 [0,2,0,0,0,0|0,0,0]=2 543 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl CSC000160154 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F CSC000160027 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.450 CCOC(=O)c1cc(cc(c1)Br)Cl CSC012359160 [0,2,0,0,0,0|0,0,0]=2 546 B13R1.450 CCOC(=O)c1cc(cc(c1)Br)F CSC011295119 [0,2,0,0,0,0|0,0,0]=2 547 B13R1.450 CCOC(=O)c1cc(cc(c1)C)C CSC000170969 [0,2,0,0,0,0|0,0,0]=2 548 B13R1.450 CCOC(=O)c1cc(cc(c1)Cl)Cl CSC000170272 [0,2,0,0,0,0|0,0,0]=2 549 B13R1.450 CCOC(=O)c1cc(cc(c1)F)F CSC000171689 [0,2,0,0,0,0|0,0,0]=2 550 B13R1.450 CCOC(=O)c1cc(cc(c1)O)O CSC011827669 [0,2,0,0,0,0|0,0,0]=2 551 B13R1.460 CCNC(=O)c1cccc(c1)C#N CSC000160228 [0,2,0,0,0,0|1,0,0]=3 552 B13R1.460 CCNC(=O)c1cccc(c1)OC CSC000160140 [0,2,0,0,0,0|1,0,0]=3 553 B13R1.460 CCOC(=O)c1cccc(c1)OC CSC000170202 [0,2,0,0,0,0|0,0,0]=2 554 B13R1.11 CC(CO)NC(=O)c1ccccc1 CSC011241097 [0,2,0,0,0,0|1,0,0]=3 555 B13R1.11 CCC(=O)OC(C)c1ccccc1 CSC000000838 [0,2,0,0,0,0|1,0,1]=4 556 B13R1.11 CCC(C)NC(=O)c1ccccc1 CSC000157914 [0,2,0,0,0,0|1,0,0]=3 557 B13R1.11 CCC(C)NC(=O)c1cccnc1 CSC000157897 [0,2,0,0,0,0|2,0,0]=4 558 B13R1.11 CCC(C)OC(=O)c1ccccc1 CSC000062829 [0,2,0,0,0,0|0,0,0]=2 559 B13R1.24 CCCCNC(=O)c1cccnc1 CSC000002826 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.24 CCCCNC(=O)c1ccncc1 CSC000002824 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.24 CCCCOC(=O)c1ccccn1 CSC011212253 [0,2,0,0,0,0|1,0,0]=3 562 B13R1.24 COCCNC(=O)c1ccccc1 CSC000157850 [0,2,0,0,0,0|1,0,0]=3 563 B13R1.24 COCCNC(=O)c1cccnc1 CSC000002680 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.24 O=C(NCCC#C)c1ccccc1 CSC011979578 [0,2,0,0,0,0|1,0,0]=3 565 B13R1.24 O=C(OCCC#C)c1ccncn1 CSC000143495 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.24 OCCCNC(=O)c1cccnc1 CSC000208339 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.24 OCCCNC(=O)c1ccncc1 CSC000208338 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.45 CC(=O)COC(=O)c1ccccc1 CSC000000904 [0,2,0,0,0,0|0,0,0]=2 569 B13R1.45 CC(=O)NNC(=O)c1ccccc1 CSC000002264 [0,2,0,0,0,0|1,0,1]=4 570 B13R1.45 CC(=O)OCC(=O)c1ccccc1 CSC000000662 [0,2,0,0,0,0|0,0,1]=3 571 B13R1.45 CC(C)CNC(=O)c1ccccc1 CSC000160781 [0,2,0,0,0,0|1,0,0]=3 572 B13R1.45 CC(C)CNC(=O)c1cccnc1 CSC000160764 [0,2,0,0,0,0|2,0,0]=4 573 B13R1.45 CC(C)COC(=O)c1ccccc1 CSC000005832 [0,2,0,0,0,0|0,0,0]=2 574 B13R1.45 CC(O)CNC(=O)c1ccccc1 CSC000192576 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.45 CC(O)CNC(=O)c1ccncc1 CSC000208405 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.45 NC(=O)CNC(=O)c1ccccc1 CSC000162210 [0,2,0,0,0,0|1,0,1]=4 577 B13R1.45 NC(=O)COC(=O)c1cccnc1 CSC016323530 [0,2,0,0,0,0|1,0,1]=4 578 B13R1.122 CCCCS(=O)(=O)c1ccccc1 CSC000014075 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.122 NCCNS(=O)(=O)c1ccccc1 CSC000746481 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.122 OCCNS(=O)(=O)c1ccccc1 CSC000186245 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.674 Brc1ccccc1C(=O)NCC=C CSC000155313 [0,2,0,0,0,0|1,0,1]=4 582 B13R1.674 CCCNC(=O)c1ccccc1Br CSC000152266 [0,2,0,0,0,0|1,0,0]=3 583 B13R1.674 CCCNC(=O)c1ccccc1C CSC000161743 [0,2,0,0,0,0|1,0,0]=3 584 B13R1.674 CCCNC(=O)c1ccccc1Cl CSC000161694 [0,2,0,0,0,0|1,0,0]=3 585 B13R1.674 CCCNC(=O)c1ccccc1F CSC000161718 [0,2,0,0,0,0|1,0,0]=3 586 B13R1.674 CCCNC(=O)c1ccccc1I CSC000152272 [0,2,0,0,0,0|1,0,0]=3 587 B13R1.674 CCCNC(=O)c1ccccc1N CSC000181257 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.674 CCCNC(=O)c1ccccc1O CSC000192504 [0,2,0,0,0,0|1,0,0]=3 589 B13R1.674 CCCOC(=O)c1ccccc1F CSC000170101 [0,2,0,0,0,0|0,0,0]=2 590 B13R1.674 Cc1ccccc1C(=O)NCC=C CSC000160325 [0,2,0,0,0,0|1,0,1]=4 591 B13R1.674 Cc1ccccc1C(=O)NCCN CSC011198457 [0,2,0,0,0,0|1,0,0]=3 592 B13R1.674 Clc1ccccc1C(=O)NCC=C CSC000160276 [0,2,0,0,0,0|1,0,1]=4 593 B13R1.674 Fc1ccccc1C(=O)NCC=C CSC000160300 [0,2,0,0,0,0|1,0,1]=4 594 B13R1.674 Ic1ccccc1C(=O)NCC=C CSC000155319 [0,2,0,0,0,0|1,0,1]=4 595 B13R1.674 NCCNC(=O)c1ccccc1F CSC000743724 [0,2,0,0,0,0|1,0,0]=3 596 B13R1.674 NCCNC(=O)c1ccccc1O CSC000744561 [0,2,0,0,0,0|1,0,0]=3 597 B13R1.674 Nc1ccccc1C(=O)NCC#C CSC000204693 [0,2,0,0,0,0|1,0,1]=4 598 B13R1.674 Nc1ccccc1C(=O)NCC=C CSC000182330 [0,2,0,0,0,0|1,0,1]=4 599 B13R1.674 OCCNC(=O)c1ccccc1F CSC000158892 [0,2,0,0,0,0|1,0,0]=3 600 B13R1.674 OCCNC(=O)c1ccccc1I CSC000158913 [0,2,0,0,0,0|1,0,0]=3 601 B13R1.674 OCCNC(=O)c1ccccc1O CSC000191647 [0,2,0,0,0,0|1,0,0]=3 602 B13R1.674 OCCOC(=O)c1ccccc1O CSC000229999 [0,2,0,0,0,0|0,0,0]=2 603 B13R1.674 Oc1ccccc1C(=O)NCC=C CSC000192230 [0,2,0,0,0,0|1,0,1]=4 604 B13R1.86 CCN(CC)C(=O)c1ccccc1 CSC000158740 [0,2,0,0,0,0|1,0,0]=3 605 B13R1.86 CCN(CC)C(=O)c1cccnc1 CSC000158723 [0,2,0,0,0,0|2,0,0]=4 606 B13R1.347 CC(C)NS(=O)(=O)c1ccccc1 CSC000164645 [0,2,0,0,0,0|2,0,0]=4 607 B13R1.347 CC(O)CS(=O)(=O)c1ccccc1 CSC000752935 [0,2,0,0,0,0|2,0,0]=4 608 B13R1.201 CC(C)NC(=O)c1cccc[n+]1[O-] CSC015991716 [0,2,0,0,0,0|2,0,0]=4 609 B13R1.201 CC(C)NC(=O)c1ccccc1Br CSC000152627 [0,2,0,0,0,0|1,0,0]=3 610 B13R1.201 CC(C)NC(=O)c1ccccc1C CSC000157570 [0,2,0,0,0,0|1,0,0]=3 611 B13R1.201 CC(C)NC(=O)c1ccccc1Cl CSC000157521 [0,2,0,0,0,0|1,0,0]=3 612 B13R1.201 CC(C)NC(=O)c1ccccc1F CSC000157545 [0,2,0,0,0,0|1,0,0]=3 613 B13R1.201 CC(C)NC(=O)c1ccccc1I CSC000152633 [0,2,0,0,0,0|1,0,0]=3 614 B13R1.201 CC(C)NC(=O)c1ccccc1N CSC000180276 [0,2,0,0,0,0|1,0,0]=3 615 B13R1.201 CC(C)OC(=O)c1ccccc1Br CSC000169877 [0,2,0,0,0,0|0,0,0]=2 616 B13R1.201 CC(C)OC(=O)c1ccccc1Cl CSC000169880 [0,2,0,0,0,0|0,0,0]=2 617 B13R1.201 CC(C)OC(=O)c1ccccc1F CSC000170100 [0,2,0,0,0,0|0,0,0]=2 618 B13R1.201 CC(C)OC(=O)c1ccccc1O CSC000169923 [0,2,0,0,0,0|0,0,0]=2 619 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 CSC000171332 [0,2,0,0,0,0|1,0,0]=3 620 B13R1.352 CC(C)(C)NC(=O)c1cccnc1 CSC000171318 [0,2,0,0,0,0|2,0,0]=4 621 B13R1.352 CC(C)(C)NC(=O)c1ccncc1 CSC000171315 [0,2,0,0,0,0|2,0,0]=4 622 B13R1.352 CS(=O)(=O)NC(=O)c1ccccc1 CSC015952642 [0,2,0,0,0,0|2,0,0]=4 623 B13R1.464 CCNC(=O)c1ccccc1OC CSC000160101 [0,2,0,0,0,0|1,0,0]=3 624 B13R1.464 CCNC(=O)c1ccccc1SC CSC000160036 [0,2,0,0,0,0|1,0,0]=3 625 B13R1.464 CCOC(=O)c1ccccc1OC CSC000169928 [0,2,0,0,0,0|0,0,0]=2 626 B13R1.4453 CCOC(=O)c1c(cccc1Br)F CSC012357633 [0,2,0,0,0,0|0,0,0]=2 627 B13R1.4453 CCOC(=O)c1c(cccc1C)C CSC011218301 [0,2,0,0,0,0|0,0,0]=2 628 B13R1.4453 CCOC(=O)c1c(cccc1Cl)Cl CSC000170269 [0,2,0,0,0,0|0,0,0]=2 629 B13R1.4453 CCOC(=O)c1c(cccc1Cl)F CSC000170032 [0,2,0,0,0,0|0,0,0]=2 630 B13R1.4453 CCOC(=O)c1c(cccc1Cl)N CSC011899081 [0,2,0,0,0,0|0,0,0]=2 631 B13R1.4453 CCOC(=O)c1c(cccc1F)F CSC000170279 [0,2,0,0,0,0|0,0,0]=2 632 B13R1.4453 CCOC(=O)c1c(cccc1O)C CSC000034863 [0,2,0,0,0,0|0,0,0]=2 633 B11R1.30 CCOC(=O)Cc1cccs1 CSC000172993 [0,0,1,1,0,0|1,0,1]=4 634 B11R1.30 CCOC(=O)Cc1ccsc1 CSC000170396 [0,0,1,1,0,0|1,0,1]=4 635 B13R2.26 CCSc1nc2ccccc2o1 CSC015611995 [0,0,0,1,0,1|0,1,1]=4 636 B13R2.444 O=C(Nc1ccccc1)C2CC2 CSC000153485 [0,0,0,1,0,1|1,0,0]=3 637 B13R2.444 O=C(Nc1ccccn1)C2CC2 CSC000017129 [0,0,0,1,0,1|2,0,0]=4 638 B13R2.444 O=C(Nc1cccnc1)C2CC2 CSC000159160 [0,0,0,1,0,1|2,0,0]=4 639 B13R2.10 Cc1nc(no1)c2ccccc2 CSC000015794 [0,1,0,1,0,0|1,0,1]=4 640 B13R2.10 Cc1nnc(o1)c2ccccc2 CSC000011779 [0,1,0,1,0,0|1,0,1]=4 641 B13R2.10 Cc1noc(n1)c2ccccc2 CSC000073341 [0,1,0,1,0,0|1,0,1]=4 642 B13R2.371 Cn1ccc(=O)c2c1cccc2 CSC000060576 [0,1,0,1,0,0|1,0,1]=4 643 B13R2.690 O=C(NC1CC1)c2ccccc2 CSC000160639 [0,1,0,1,0,0|1,0,0]=3 644 B13R2.690 O=C(NC1CC1)c2ccccn2 CSC000160612 [0,1,0,1,0,0|2,0,0]=4 645 B13R2.690 O=C(NC1CC1)c2cccnc2 CSC000160621 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.11 COC(=O)c1cccs1 CSC000148991 [1,0,0,0,1,0|1,0,0]=3 647 B9R1.11 COC(=O)c1ccsc1 CSC000194046 [1,0,0,0,1,0|1,0,0]=3 648 B9R1.11 COC(=O)c1cncs1 CSC000241751 [1,0,0,0,1,0|2,0,0]=4 649 B9R1.11 COC(=O)c1cscn1 CSC011218915 [1,0,0,0,1,0|2,0,0]=4 650 B13R1.42 CCCC(=O)NCc1ccccc1 CSC000153126 [0,0,0,0,0,2|1,0,0]=3 651 B13R1.42 CCCC(=O)NNc1ccccc1 CSC000001586 [0,0,0,0,0,2|1,0,0]=3 652 B13R1.42 CCCC(=O)OCc1ccccc1 CSC000000759 [0,0,0,0,0,2|1,0,0]=3 653 B13R1.42 CCNC(=O)CCc1ccccc1 CSC000160125 [0,0,0,0,0,2|1,0,0]=3 654 B13R1.42 CCNC(=O)COc1ccccc1 CSC000150565 [0,0,0,0,0,2|1,0,0]=3 655 B13R1.42 CCNC(=O)CSc1ccccc1 CSC000150704 [0,0,0,0,0,2|1,0,0]=3 656 B13R1.42 CCOC(=O)C#Cc1ccccc1 CSC011216521 [0,0,0,0,0,2|0,0,0]=2 657 B13R1.42 CCOC(=O)CCc1ccccc1 CSC000170145 [0,0,0,0,0,2|0,0,0]=2 658 B13R1.42 CCOC(=O)CCc1ccccn1 CSC011594462 [0,0,0,0,0,2|1,0,0]=3 659 B13R1.42 CCOC(=O)CNc1ccccc1 CSC000219562 [0,0,0,0,0,2|0,0,0]=2 660 B13R1.42 CCOC(=O)COc1ccccc1 CSC000170178 [0,0,0,0,0,2|0,0,0]=2 661 B13R1.42 CCOC(=O)CSc1ccccc1 CSC000170991 [0,0,0,0,0,2|0,0,0]=2 662 B13R1.42 CCOC(=O)CSc1ccccn1 CSC000156745 [0,0,0,0,0,2|1,0,0]=3 663 B13R1.42 CCOC(=O)CSc1ncccn1 CSC000148888 [0,0,0,0,0,2|2,0,0]=4