0 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.32 CCOC(=O)Cc1ccccn1 B23988 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.32 CCOC(=O)Cc1cccnc1 A14768 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.32 CCOC(=O)Cc1ccncc1 A14550 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.28 CCCC#Cc1ccccc1 B20857 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.28 CCCCCc1ccccc1 A15734 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.28 CCCCCc1ccccn1 B22125 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 CCCCNc1ccccc1 B24180 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 CCCCOc1ccccc1 L04703 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 CCO\C=N\c1ccccc1 43788 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.28 c1ccc(cc1)CCCCBr B25237 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 c1ccc(cc1)CCCCCl A11753 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 c1ccc(cc1)CCCCN L02982 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 c1ccc(cc1)CCCCO A13433 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 c1ccc(cc1)CNCCN A13262 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.28 c1ccc(cc1)CNCCO A16866 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.28 c1ccc(cc1)COCCBr H56872 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 c1ccc(cc1)COCCI H35095 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.28 c1ccc(cc1)CSCCO L12274 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.40 CCN(C)Cc1ccccc1 L08520 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.40 COC(=O)Cc1ccccc1 A15537 [1,0,0,0,0,0|0,0,0]=1 24 B11R1.40 COC(=O)Nc1cccnc1 H63484 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.40 COC(=O)Oc1ccccc1 B25232 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.40 c1ccc(cc1)C\C(=N\O)\N H58835 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [1,0,0,0,0,0|2,0,0]=3 32 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br B22165 [0,1,0,0,0,0|0,0,0]=1 33 B13R1.19 CCOC(=O)Cc1ccc(cc1)C A16718 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.19 CCOC(=O)Cc1ccc(cc1)N A11529 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.19 CCOC(=O)Cc1ccc(cc1)O B21832 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.20 CCOC(=O)Cc1cccc(c1)C A18497 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.44 CCCCC(=O)Cc1ccccc1 A10944 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.44 c1ccc(cc1)NC(=O)CCCCl H59762 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.47 CCCC(C)C(c1ccccc1)O B20596 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.47 CCOC(=O)C(=C)c1ccccc1 B23913 [0,1,0,0,0,0|0,0,1]=2 41 B13R1.47 CCOC(=O)C(=O)c1ccccc1 B25292 [0,1,0,0,0,0|0,0,1]=2 42 B13R1.47 CCOC(=O)C(c1ccccc1)Br B21114 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.47 CCOC(=O)C(c1ccccc1)O A17412 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.47 CCOC(=O)[C@H](c1ccccc1)N L01564 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 A17534 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 L19599 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.348 CC(C)OC(=O)Cc1ccccc1 L07385 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.348 CC(C)OC(=O)Nc1ccccc1 B24998 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.470 CCOC(=O)Cc1ccccc1Br H50630 [0,1,0,0,0,0|0,0,0]=1 50 B13R1.470 CCOC(=O)Cc1ccccc1C A11955 [0,1,0,0,0,0|0,0,0]=1 51 B13R1.470 CCOC(=O)Cc1ccccc1F L19999 [0,1,0,0,0,0|0,0,0]=1 52 B13R2.15 c1ccc(cc1)N2CCCC2=O L14660 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.15 c1ccc(cc1)N2CCOC2=O L08484 [0,0,0,1,0,0|1,0,0]=2 54 B13R2.64 c1ccc(cc1)CC2=NCCN2 B21764 [0,0,0,1,0,0|2,0,0]=3 55 B13R2.135 CC[n+]1c(oc2c1cccc2)C A18778 [0,0,0,1,0,0|3,0,0]=4 56 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 H63576 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [0,0,0,1,0,0|1,0,1]=3 58 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [0,0,0,1,0,0|2,0,1]=4 59 B11R1.16 C=COC(=O)c1ccccc1 B21805 [0,0,0,0,1,0|0,0,2]=3 60 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,0,0,0,1,0|1,0,0]=2 61 B11R1.16 CCCC(C)c1ccccc1 B20114 [0,0,0,0,1,0|2,0,1]=4 62 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [0,0,0,0,1,0|2,0,1]=4 63 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [0,0,0,0,1,0|2,0,1]=4 64 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,0,0,0,1,0|1,0,0]=2 65 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,0,0,0,1,0|0,0,0]=1 66 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,0,0,0,1,0|0,0,0]=1 67 B11R1.16 CCOC(=O)c1ccccn1 A13973 [0,0,0,0,1,0|1,0,0]=2 68 B11R1.16 CCOC(=O)c1cccnc1 L03215 [0,0,0,0,1,0|1,0,0]=2 69 B11R1.16 CCOC(=O)c1ccncc1 L03010 [0,0,0,0,1,0|1,0,0]=2 70 B11R1.16 CCOC(=O)c1ccncn1 H64662 [0,0,0,0,1,0|2,0,0]=3 71 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,0,0,0,1,0|2,0,1]=4 72 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,0,0,0,1,0|2,0,0]=3 73 B11R1.16 c1ccc(cc1)C(=O)N=C=O A11583 [0,0,0,0,1,0|2,0,1]=4 74 B11R1.16 c1ccc(cc1)C(=O)N=C=S L06964 [0,0,0,0,1,0|2,0,1]=4 75 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [0,0,0,0,1,0|2,0,0]=3 76 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [0,0,0,0,1,0|1,1,0]=3 77 B11R1.16 c1ccc(cc1)C(=O)\C=N\O L02098 [0,0,0,0,1,0|3,0,0]=4 78 B11R1.30 CCOC(=O)Cc1cccs1 A15896 [0,0,0,0,1,0|1,0,0]=2 79 B11R1.30 CCOC(=O)Cc1ccsc1 A19694 [0,0,0,0,1,0|1,0,0]=2 80 B13R1.42 CCCC(=O)OCc1ccccc1 B24241 [0,0,0,0,0,1|1,0,0]=2 81 B13R1.42 CCOC(=O)C#Cc1ccccc1 L00603 [0,0,0,0,0,1|0,0,1]=2 82 B13R1.42 CCOC(=O)CCc1ccccc1 A13055 [0,0,0,0,0,1|0,0,0]=1 83 B13R1.42 CCOC(=O)CNc1ccccc1 B22282 [0,0,0,0,0,1|0,0,0]=1 84 B13R1.42 CCOC(=O)COc1ccccc1 A14156 [0,0,0,0,0,1|0,0,0]=1 85 B13R1.42 CCOC(=O)COc1cccnc1 H33981 [0,0,0,0,0,1|1,0,0]=2 86 B13R1.42 CCOC(=O)CSc1ccccc1 A18664 [0,0,0,0,0,1|0,0,0]=1 87 B13R1.42 CCOC(=O)\C=C\c1ccccc1 A12906 [0,0,0,0,0,1|0,0,1]=2 88 B13R1.42 CCOC(=O)\C=C\c1cccnc1 H33964 [0,0,0,0,0,1|1,0,1]=3 89 B13R1.42 c1ccc(cc1)COC(=O)CC#N L06644 [0,0,0,0,0,1|2,0,1]=4 90 B13R1.42 c1ccc(cc1)COC(=O)CCN A18650 [0,0,0,0,0,1|2,0,0]=3 91 B10R1.17 CCC#Cc1ccccc1 A11332 [2,0,0,0,0,0|0,0,2]=4 92 B10R1.17 CCCC[n+]1ccccc1 19740 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.17 CCCC[n+]1ccccc1 H26995 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.17 CCCCc1ccccc1 A10910 [2,0,0,0,0,0|0,0,1]=3 95 B10R1.17 CCNCc1ccccc1 L05651 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.17 CCNCc1cccnc1 H51120 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.17 CCNCc1ccncc1 L13714 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.17 c1ccc(cc1)CCCBr A14050 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.17 c1ccc(cc1)CCCCl B20445 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.17 c1ccc(cc1)CCCI H53420 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.17 c1ccc(cc1)CCCN L03023 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.17 c1ccc(cc1)CCCO A13022 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [2,0,0,0,0,0|1,0,1]=4 104 B10R1.17 c1ccc(cc1)COC=O L13405 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.17 c1ccc(cc1)COCCl H60207 [2,0,0,0,0,0|1,0,0]=3 106 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.18 CC(=C)Cc1ccccc1 B20370 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [2,0,0,0,0,0|1,0,0]=3 111 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.18 CC(=O)Cc1ccncc1 L18667 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.18 CC(=O)Nc1ccccc1 A14361 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.18 CC(=O)Oc1ccccc1 B22561 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.18 CC(=O)Oc1ccccc1 L19598 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.18 CC(=O)Sc1ccccc1 H55175 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.18 CN(C)Cc1ccccc1 A12191 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [2,0,0,0,0,0|1,1,0]=4 119 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [2,0,0,0,0,0|0,0,0]=2 124 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [2,0,0,0,0,0|1,1,0]=4 125 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [2,0,0,0,0,0|1,0,0]=3 130 B10R1.18 c1cnccc1CC(=O)N B24734 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.18 c1cnccc1CC(=O)O A14348 [2,0,0,0,0,0|1,0,0]=3 132 B12R1.1 CCCCCc1ccc(cc1)Br A14457 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.1 CCCCCc1ccc(cc1)I H27356 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.1 CCCCCc1ccc(cc1)N H26569 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.1 CCCCCc1ccc(cc1)O A11514 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.1 CCCNCc1ccc(cc1)F H56563 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.8 CCCCCCc1ccccc1 A12821 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.8 CCCCNCc1ccccc1 A17851 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.8 CCCCOCc1ccccc1 L11747 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.8 c1ccc(cc1)CCCCCCl L08707 [1,1,0,0,0,0|1,0,1]=4 141 B12R1.8 c1ccc(cc1)CCCCCO L12070 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.8 c1ccc(cc1)CNCCCN H65635 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.8 c1ccc(cc1)CNCCCO H26664 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.8 c1ccc(cc1)COCCCBr H66278 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.28 CCCNCc1cccc(c1)F H56794 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.30 CCCCC(c1ccccc1)O L04646 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [1,1,0,0,0,0|0,0,2]=4 149 B12R1.252 CC(CNCc1ccccc1)O H50329 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.252 C[C@@H](COCc1ccccc1)O H60523 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.267 CCCNCc1ccccc1F H56513 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.34 COC(=O)C(c1ccccc1)Br L09043 [1,1,0,0,0,0|0,0,0]=2 153 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [1,1,0,0,0,0|0,0,0]=2 154 B12R1.34 COC(=O)[C@@H](c1ccccc1)N L18735 [1,1,0,0,0,0|0,0,0]=2 155 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [1,1,0,0,0,0|0,0,0]=2 156 B12R1.34 COC(=O)[C@H](c1ccccc1)N H62874 [1,1,0,0,0,0|0,0,0]=2 157 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [1,1,0,0,0,0|0,0,0]=2 158 B12R1.34 c1ccc(cc1)C(C(=O)NN)O L11653 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.43 CC(C)C(=O)Cc1ccccc1 L07176 [1,1,0,0,0,0|0,0,0]=2 161 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.49 COC(=O)Cc1ccc(cc1)F H32236 [1,1,0,0,0,0|0,0,0]=2 164 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [1,1,0,0,0,0|0,0,0]=2 165 B12R1.49 c1cc(ccc1NC(=O)CCl)F A17669 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.118 COC(Cc1ccccc1)OC A18730 [1,1,0,0,0,0|0,0,2]=4 167 B12R1.194 CO[Si](C)(C)Cc1ccccc1 H28574 [1,1,0,0,0,0|1,1,0]=4 168 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [1,1,0,0,0,0|0,0,0]=2 169 B12R1.3 CC\C=C(\C=O)/c1ccccc1 A13635 [0,1,0,0,1,0|1,0,0]=3 170 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,1,0,0,1,0|1,0,0]=3 171 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,1,0,0,1,0|1,0,0]=3 172 B12R1.16 CCNC(=O)c1ccc(cc1)Br H58111 [0,1,0,0,1,0|1,0,0]=3 173 B12R1.16 CCNC(=O)c1ccc(cc1)C H57901 [0,1,0,0,1,0|1,0,0]=3 174 B12R1.16 CCNC(=O)c1ccc(cc1)Cl H59072 [0,1,0,0,1,0|1,0,0]=3 175 B12R1.16 CCNC(=O)c1ccc(cc1)F H58065 [0,1,0,0,1,0|1,0,0]=3 176 B12R1.16 CCNC(=O)c1ccc(cn1)Br H54309 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.16 CCOC(=O)c1ccc(cc1)Br A11365 [0,1,0,0,1,0|0,0,0]=2 178 B12R1.16 CCOC(=O)c1ccc(cc1)C A10568 [0,1,0,0,1,0|0,0,0]=2 179 B12R1.16 CCOC(=O)c1ccc(cc1)Cl A12540 [0,1,0,0,1,0|0,0,0]=2 180 B12R1.16 CCOC(=O)c1ccc(cc1)F B21484 [0,1,0,0,1,0|0,0,0]=2 181 B12R1.16 CCOC(=O)c1ccc(cc1)I A14570 [0,1,0,0,1,0|0,0,0]=2 182 B12R1.16 CCOC(=O)c1ccc(cc1)N A12754 [0,1,0,0,1,0|0,0,0]=2 183 B12R1.16 CCOC(=O)c1ccc(cc1)O A13172 [0,1,0,0,1,0|0,0,0]=2 184 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58477 [0,1,0,0,1,0|0,0,0]=2 185 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58484 [0,1,0,0,1,0|0,0,0]=2 186 B12R1.16 CCOC(=O)c1ccc(nc1)Cl A14723 [0,1,0,0,1,0|1,0,0]=3 187 B12R1.16 CCOC(=O)c1cnc(cn1)Cl H66630 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.16 CCOC(=O)c1cnc(cn1)N H66918 [0,1,0,0,1,0|2,0,0]=4 189 B12R1.16 CCOC(=O)c1cnc(nc1)Cl H64914 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.16 CCOC(=O)c1ncc(cn1)Br H61304 [0,1,0,0,1,0|2,0,0]=4 191 B12R1.16 c1cc(ccc1C(=O)CCCl)Br A13988 [0,1,0,0,1,0|2,0,0]=4 192 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl A13311 [0,1,0,0,1,0|2,0,0]=4 193 B12R1.16 c1cc(ccc1C(=O)CCCl)F B21891 [0,1,0,0,1,0|2,0,0]=4 194 B12R1.17 CCNC(=O)c1cccc(c1)C H59871 [0,1,0,0,1,0|1,0,0]=3 195 B12R1.17 CCNC(=O)c1cccc(c1)Cl H58141 [0,1,0,0,1,0|1,0,0]=3 196 B12R1.17 CCOC(=O)c1cc(cnc1)Br B20788 [0,1,0,0,1,0|1,0,0]=3 197 B12R1.17 CCOC(=O)c1cccc(c1)Br A10251 [0,1,0,0,1,0|0,0,0]=2 198 B12R1.17 CCOC(=O)c1cccc(c1)C B23925 [0,1,0,0,1,0|0,0,0]=2 199 B12R1.17 CCOC(=O)c1cccc(c1)Cl L01065 [0,1,0,0,1,0|0,0,0]=2 200 B12R1.17 CCOC(=O)c1cccc(c1)F L07984 [0,1,0,0,1,0|0,0,0]=2 201 B12R1.17 CCOC(=O)c1cccc(c1)I A14210 [0,1,0,0,1,0|0,0,0]=2 202 B12R1.17 CCOC(=O)c1cccc(c1)N A14448 [0,1,0,0,1,0|0,0,0]=2 203 B12R1.17 CCOC(=O)c1cccc(c1)O A15343 [0,1,0,0,1,0|0,0,0]=2 204 B12R1.17 CCOC(=O)c1cccc(c1)[Zn+] H58105 [0,1,0,0,1,0|0,0,0]=2 205 B12R1.17 CCOC(=O)c1cccc(n1)Cl H61701 [0,1,0,0,1,0|1,0,0]=3 206 B12R1.17 CCOC(=O)c1ccnc(c1)C H57239 [0,1,0,0,1,0|1,0,0]=3 207 B12R1.17 CCOC(=O)c1ccnc(c1)N H61280 [0,1,0,0,1,0|1,0,0]=3 208 B12R1.39 CCNS(=O)(=O)c1ccccc1 H55463 [0,1,0,0,1,0|2,0,0]=4 209 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,1,0,0,1,0|1,0,1]=4 210 B12R1.107 C\C(=C/C(=O)c1ccccc1)\[O-] A16051 [0,1,0,0,1,0|1,0,1]=4 211 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [0,1,0,0,1,0|1,0,0]=3 212 B12R1.308 CCNC(=O)c1ccccc1F H59435 [0,1,0,0,1,0|1,0,0]=3 213 B12R1.308 CCNC(=O)c1cccnc1Cl H57514 [0,1,0,0,1,0|2,0,0]=4 214 B12R1.308 CCOC(=O)c1ccccc1Br A13166 [0,1,0,0,1,0|0,0,0]=2 215 B12R1.308 CCOC(=O)c1ccccc1C L00598 [0,1,0,0,1,0|0,0,0]=2 216 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [0,1,0,0,1,0|0,0,0]=2 217 B12R1.308 CCOC(=O)c1ccccc1F A16564 [0,1,0,0,1,0|0,0,0]=2 218 B12R1.308 CCOC(=O)c1ccccc1I L07650 [0,1,0,0,1,0|0,0,0]=2 219 B12R1.308 CCOC(=O)c1ccccc1N A14378 [0,1,0,0,1,0|0,0,0]=2 220 B12R1.308 CCOC(=O)c1ccccc1O A10101 [0,1,0,0,1,0|0,0,0]=2 221 B12R1.308 CCOC(=O)c1ccccc1[Zn+] H58721 [0,1,0,0,1,0|0,0,0]=2 222 B12R1.308 CCOC(=O)c1cccnc1Br H52335 [0,1,0,0,1,0|1,0,0]=3 223 B12R1.308 CCOC(=O)c1cccnc1C L03256 [0,1,0,0,1,0|1,0,0]=3 224 B12R1.308 CCOC(=O)c1cccnc1Cl B20359 [0,1,0,0,1,0|1,0,0]=3 225 B12R1.308 CCOC(=O)c1cccnc1N H64957 [0,1,0,0,1,0|1,0,0]=3 226 B12R1.308 CCOC(=O)c1ccncc1N H64188 [0,1,0,0,1,0|1,0,0]=3 227 B12R1.31 CCOC(=O)Cc1csc(n1)N H54717 [0,1,0,0,1,0|2,0,0]=4 228 B12R1.55 CCOC(=O)C(=O)c1cccs1 B24712 [0,1,0,0,1,0|1,0,1]=4 229 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 L05030 [0,1,0,0,0,1|0,0,0]=2 230 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 H64533 [0,1,0,0,0,1|1,0,0]=3 231 B14R1.29 CCOC(=O)CC(=O)c1ccncc1 H61647 [0,1,0,0,0,1|1,0,0]=3 232 B14R1.29 CCOC(=O)CC(c1ccccc1)O H65708 [0,1,0,0,0,1|0,0,0]=2 233 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 B23285 [0,1,0,0,0,1|0,0,1]=3 234 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N A13618 [0,1,0,0,0,1|0,0,0]=2 235 B14R1.156 CCCOC(=O)\C=C\c1ccccc1 L07871 [0,1,0,0,0,1|0,0,1]=3 236 B14R1.156 c1ccc(cc1)CNC(=O)CCCCl H58921 [0,1,0,0,0,1|1,0,0]=3 237 B14R1.502 CCOC(=O)CCc1ccc(cc1)Br H61633 [0,1,0,0,0,1|0,0,0]=2 238 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)Br H27544 [0,1,0,0,0,1|0,0,1]=3 239 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)N L04464 [0,1,0,0,0,1|0,0,1]=3 240 B14R1.598 CCOC(=O)CCc1ccccc1Br H63505 [0,1,0,0,0,1|0,0,0]=2 241 B14R1.598 CCOC(=O)COc1ccccc1C B22375 [0,1,0,0,0,1|0,0,0]=2 242 B14R1.598 CCOC(=O)\C=C\c1cccnc1Cl H50050 [0,1,0,0,0,1|1,0,1]=4 243 B14R1.598 CCOC(=O)\C=C\c1cccnc1N H50018 [0,1,0,0,0,1|1,0,1]=4 244 B14R1.598 CCOC(=O)\C=C\c1cnccc1N H50037 [0,1,0,0,0,1|1,0,1]=4 245 B14R1.756 C\C=C(/C)\C(=O)OCc1ccccc1 A19566 [0,1,0,0,0,1|1,0,1]=4 246 B14R1.756 c1ccc(cc1)COC(=O)[C@@H](CO)N H63678 [0,1,0,0,0,1|2,0,0]=4 247 B14R1.756 c1ccc(cc1)COC(=O)[C@H](CO)N H28790 [0,1,0,0,0,1|2,0,0]=4 248 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 A14915 [0,1,0,0,0,1|1,0,1]=4 249 B14R1.818 CC(C)CC(=O)OCc1ccccc1 B24852 [0,1,0,0,0,1|1,0,0]=3 250 B14R1.818 CC(C)OC(=O)\C=C\c1ccccc1 L07824 [0,1,0,0,0,1|0,0,1]=3 251 B14R1.33 c1cc(ccc1NC(=O)CCCCl)Br H58144 [0,2,0,0,0,0|2,0,0]=4 252 B14R1.33 c1cc(ccc1NC(=O)CCCCl)F H59023 [0,2,0,0,0,0|2,0,0]=4 253 B14R1.35 CCOC(=O)C(=O)c1ccc(nc1)Cl H50157 [0,2,0,0,0,0|1,0,1]=4 254 B14R1.35 CCOC(=O)C(c1ccc(cc1)Br)Br H28093 [0,2,0,0,0,0|0,0,0]=2 255 B14R1.35 CCOC(=O)C(c1ccc(cc1)O)O L05413 [0,2,0,0,0,0|0,0,0]=2 256 B14R1.954 CCOC(=O)Cc1ccc(cc1)C#N H26078 [0,2,0,0,0,0|0,0,0]=2 257 B14R1.967 CCOC(=O)Cc1ccc(c(c1)Cl)Cl B21569 [0,2,0,0,0,0|0,0,0]=2 258 B14R1.34 Cc1cccc(c1)NC(=O)CCCCl H58249 [0,2,0,0,0,0|2,0,0]=4 259 B14R1.34 c1cc(cc(c1)Br)NC(=O)CCCCl H59403 [0,2,0,0,0,0|2,0,0]=4 260 B14R1.34 c1cc(cc(c1)Cl)NC(=O)CCCCl H58978 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.34 c1cc(cc(c1)F)NC(=O)CCCCl H59215 [0,2,0,0,0,0|2,0,0]=4 262 B14R1.952 CCOC(=O)Cc1cc(cc(c1)C)C L10423 [0,2,0,0,0,0|0,0,0]=2 263 B14R1.962 CCOC(=O)Cc1cccc(c1)OC A15070 [0,2,0,0,0,0|0,0,0]=2 264 B14R1.166 CN(c1ccccc1)C(=O)CCCCl H59103 [0,2,0,0,0,0|2,0,0]=4 265 B14R1.423 CC(C)COC(=O)Cc1ccccc1 A19004 [0,2,0,0,0,0|0,0,0]=2 266 B14R1.946 Cc1ccccc1NC(=O)CCCCl H59010 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.946 c1ccc(c(c1)NC(=O)CCCCl)Br H59869 [0,2,0,0,0,0|2,0,0]=4 268 B14R1.946 c1ccc(c(c1)NC(=O)CCCCl)Cl H59994 [0,2,0,0,0,0|2,0,0]=4 269 B14R1.946 c1ccc(c(c1)NC(=O)CCCCl)F H59892 [0,2,0,0,0,0|2,0,0]=4 270 B14R1.510 CCOC(=O)C(c1ccccc1)(F)F H26029 [0,2,0,0,0,0|0,0,0]=2 271 B14R1.604 CCOC(=O)C(C#N)c1ccccc1 L03929 [0,2,0,0,0,0|0,0,0]=2 272 B14R1.3348 CCOC(=O)C(=O)c1cccnc1Cl H50153 [0,2,0,0,0,0|1,0,1]=4 273 B14R1.433 CC(C)(C)OC(=O)Nc1ccccc1 H55232 [0,2,0,0,0,0|1,0,0]=3 274 B14R1.433 CC(C)(C)OC(=O)Nc1ccccn1 H30741 [0,2,0,0,0,0|2,0,0]=4 275 B14R1.433 CC(C)(C)OC(=O)Nc1ccncc1 H30820 [0,2,0,0,0,0|2,0,0]=4 276 B14R1.433 CC(C)(C)OC(=O)Oc1ccccc1 H60867 [0,2,0,0,0,0|1,0,0]=3 277 B12R1.51 CCOC(=O)CCc1ccco1 A18732 [0,0,1,1,0,0|1,0,1]=4 278 B12R2.1 CC[n+]1csc2c1cccc2 L08903 [1,0,0,1,0,0|2,0,0]=4 279 B12R2.1081 CC1c2ccccc2CCN1 H64191 [1,0,0,1,0,0|1,0,1]=4 280 B12R2.18 CC1c2ccccc2NC1=O H27662 [1,0,0,1,0,0|1,0,0]=3 281 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [1,0,0,1,0,0|0,0,0]=2 282 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [1,0,0,1,0,0|1,0,0]=3 283 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [1,0,0,1,0,0|1,0,0]=3 284 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [1,0,0,1,0,0|1,0,1]=4 285 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [1,0,0,1,0,0|2,0,0]=4 288 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [1,0,0,1,0,0|1,0,0]=3 289 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [0,0,0,1,1,0|1,0,1]=4 290 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [0,0,0,1,1,0|1,0,1]=4 291 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 L02218 [0,0,0,1,1,0|1,0,0]=3 292 B14R2.30 c1ccc(cc1)CN2CCCC2=O B23538 [0,0,0,1,0,1|1,0,0]=3 293 B14R2.112 CCOc1ccc2ccccc2c1 B23327 [0,0,0,1,0,1|1,0,1]=4 294 B14R2.598 c1ccc(cc1)C2CC(=O)OC2=O B24418 [0,0,0,1,0,1|1,0,1]=4 295 B14R2.926 c1cc(ccc1N2CCCC2=O)Br H50563 [0,1,0,1,0,0|2,0,0]=4 296 B14R2.949 c1cc(ccc1NC(=O)C2CC2)I H50571 [0,1,0,1,0,0|2,0,0]=4 297 B14R2.24 c1ccc(cc1)C2C(=O)NCCN2 H63099 [0,1,0,1,0,0|1,0,0]=3 298 B14R2.24 c1ccc(cc1)C2CCCCC2=O A17340 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,0,0,0,1,0|0,0,0]=2 300 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,0,0,0,1,0|1,0,0]=3 301 B10R1.15 CCC(=O)c1ccncc1 L11552 [1,0,0,0,1,0|1,0,0]=3 302 B10R1.15 CCC(C)c1ccccc1 B22962 [1,0,0,0,1,0|1,0,1]=4 303 B10R1.15 CCC(c1ccccc1)O A10830 [1,0,0,0,1,0|0,0,2]=4 304 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,0,0,0,1,0|1,0,1]=4 305 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,0,0,0,1,0|0,0,2]=4 306 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,0,0,0,1,0|1,0,1]=4 307 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,0,0,0,1,0|0,0,2]=4 308 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,0,0,0,1,0|1,0,0]=3 309 B10R1.15 COC(=O)c1ccccc1 44368 [1,0,0,0,1,0|0,0,0]=2 310 B10R1.15 COC(=O)c1ccccc1 A12404 [1,0,0,0,1,0|0,0,0]=2 311 B10R1.15 COC(=O)c1ccccn1 H54530 [1,0,0,0,1,0|1,0,0]=3 312 B10R1.15 COC(=O)c1cccnc1 B23908 [1,0,0,0,1,0|1,0,0]=3 313 B10R1.15 COC(=O)c1ccncc1 B23263 [1,0,0,0,1,0|1,0,0]=3 314 B10R1.15 COC(=O)c1ccnnc1 H27449 [1,0,0,0,1,0|2,0,0]=4 315 B10R1.15 COC(=O)c1cnccn1 A12028 [1,0,0,0,1,0|2,0,0]=4 316 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [1,0,0,0,1,0|1,0,1]=4 317 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,0,0,0,1,0|1,0,0]=3 318 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,0,0,0,1,0|1,0,0]=3 319 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,0,0,0,1,0|1,0,0]=3 320 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,0,0,0,1,0|1,0,0]=3 321 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,0,0,0,1,0|2,0,0]=4 322 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [1,0,0,0,1,0|2,0,0]=4 323 B10R1.15 c1cnccc1C(=O)CBr H32285 [1,0,0,0,1,0|2,0,0]=4 324 B10R1.27 COC(=O)Cc1cccs1 A12110 [1,0,0,0,1,0|1,0,0]=3 325 B10R1.27 COC(=O)Cc1ccsc1 A12496 [1,0,0,0,1,0|1,0,0]=3 326 B10R1.11 CCCC(=O)C1=CC=CC1 39404 [0,0,0,0,2,0|1,0,1]=4 327 B10R1.11 CCCC(=O)c1ccco1 H26287 [0,0,0,0,2,0|2,0,0]=4 328 B10R1.11 CCCC(=O)c1cccs1 A15048 [0,0,0,0,2,0|2,0,0]=4 329 B10R1.11 CCOC(=O)c1[nH]ccn1 L19405 [0,0,0,0,2,0|2,0,0]=4 330 B10R1.11 CCOC(=O)c1c[nH]cn1 H64095 [0,0,0,0,2,0|2,0,0]=4 331 B10R1.11 CCOC(=O)c1c[nH]nc1 B25351 [0,0,0,0,2,0|2,0,0]=4 332 B10R1.11 CCOC(=O)c1ccc[nH]1 L16382 [0,0,0,0,2,0|1,0,0]=3 333 B10R1.11 CCOC(=O)c1ccco1 A13909 [0,0,0,0,2,0|1,0,0]=3 334 B10R1.11 CCOC(=O)c1cccs1 A12302 [0,0,0,0,2,0|1,0,0]=3 335 B10R1.11 CCOC(=O)c1ccsc1 B22468 [0,0,0,0,2,0|1,0,0]=3 336 B10R1.11 CCOC(=O)c1cnco1 H32924 [0,0,0,0,2,0|2,0,0]=4 337 B14R1.520 CCOC(=O)CCOc1ccccc1 L07606 [0,0,0,0,0,2|0,0,0]=2 338 B14R1.520 CCOC(=O)CNCc1ccccc1 L15496 [0,0,0,0,0,2|0,0,0]=2