0 B13R2.11634 Cc1c2cc(c(cc2on1)F)N MB12240 [0,0,0,0,0,0|2,1,0]=3 1 B13R2.11634 Cc1c2cc(c(cc2on1)F)N MB14798 [0,0,0,0,0,0|2,1,0]=3 2 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(=O)CC2 AB49372 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(CC2)N AB38376 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.11634 c1c2c(cc(c1Cl)Cl)[C@@H](CC2)N AB38377 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.11634 c1c2c(cc(c1Cl)Cl)[C@H](CC2)N AB38379 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.11634 c1c2c(cc(c1Cl)F)C(=O)CC2 AB70079 [0,0,0,0,0,0|2,1,1]=4 7 B13R2.11634 c1c2c(cc(c1F)Cl)C(=O)CC2 AB65643 [0,0,0,0,0,0|2,1,1]=4 8 B12R2.100 c1c2=CCN=c2cc(c1Cl)Cl PB23210 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.100 c1c2=CCN=c2cc(c1Cl)F MB01658 [1,0,0,0,0,0|2,1,0]=4 10 B12R2.100 c1c2=CCN=c2cc(c1F)Cl PB12726 [1,0,0,0,0,0|2,1,0]=4 11 B12R2.100 c1c2=CCN=c2cc(c1O)Cl PB21381 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.100 c1c2c(cc(c1Cl)Cl)CNC2 MB09684 [1,0,0,0,0,0|1,0,2]=4 13 B12R2.100 c1c2c(cc(c1Cl)Cl)N=NC2 PB16453 [1,0,0,0,0,0|1,0,1]=3 14 B12R2.100 c1c2c(cc(c1Cl)O)N=NC2 MB15043 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.100 c1c2c(cc(c1F)Cl)N=NC2 PB33233 [1,0,0,0,0,0|1,1,1]=4 16 B12R2.100 c1c2c(cc(c1N)Cl)N=NC2 MB06481 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.100 c1c2c(cc(c1O)Cl)N=NC2 PB37964 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.132 C1C=C(C=C2C1=NN=C2Br)Cl MB04875 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.132 C1C=C(C=C2C1=NN=C2Cl)Cl MB07215 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.132 C1C=C(C=C2C1=NN=C2I)Cl AB28705 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.132 C1C=C(C=C2C1=NN=C2N)Cl AB41916 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.132 C1C=C(C=C2C1=NN=C2O)Br MB04962 [1,0,0,0,0,0|1,1,1]=4 23 B12R2.132 C1C=C(C=C2C1=NN=C2O)O MB05006 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.132 CC1=NN=C2=C1C=C(C=C2)Cl MB08397 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [1,0,0,0,0,0|1,1,0]=3 26 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [1,0,0,0,0,0|2,1,0]=4 27 B12R2.132 Cn1c2cc(ccc2cn1)Cl MB11448 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.132 c1cc2c(cc1Br)C(=O)N=N2 AB60842 [1,0,0,0,0,0|1,1,1]=4 29 B12R2.132 c1cc2c(cc1Br)c(no2)Cl AB65566 [1,0,0,0,0,0|1,1,0]=3 30 B12R2.132 c1cc2c(cc1Br)c(no2)N MB07795 [1,0,0,0,0,0|1,1,0]=3 31 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [1,0,0,0,0,0|2,0,1]=4 32 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [1,0,0,0,0,0|1,0,1]=3 33 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [1,0,0,0,0,0|1,0,1]=3 34 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [1,0,0,0,0,0|1,0,2]=4 35 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.132 c1cc2c(cc1Cl)c(cs2)Br MB14444 [1,0,0,0,0,0|2,1,0]=4 38 B12R2.132 c1cc2c(cc1Cl)c(no2)Cl AB66315 [1,0,0,0,0,0|1,0,0]=2 39 B12R2.132 c1cc2c(cc1F)c(no2)Cl AB64624 [1,0,0,0,0,0|1,1,0]=3 40 B12R2.132 c1cc2cnn(c2cc1Cl)O MB69250 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.132 c1cc2cnn(c2cc1F)O MB69253 [1,0,0,0,0,0|2,1,0]=4 42 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)Cl MB04866 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)Cl MB19202 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)Cl AB42681 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.612 C1C=C(C=C2C1=C(N=N2)O)Br MB04907 [1,0,0,0,0,0|1,1,1]=4 46 B12R2.612 CC1=NN=C2=C1C=CC(=C2)Cl MB19203 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.612 Cc1c2ccc(cc2sn1)Cl MB04108 [1,0,0,0,0,0|1,1,0]=3 48 B12R2.612 Cc1ccc2c(c1)onc2Cl AB25984 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.612 c1cc(nc2c1C(=O)CO2)Cl AB70109 [1,0,0,0,0,0|2,0,1]=4 50 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [1,0,0,0,0,0|1,1,1]=4 51 B12R2.612 c1cc2c(cc1Br)onc2Cl MB11909 [1,0,0,0,0,0|1,1,0]=3 52 B12R2.612 c1cc2c(cc1Br)onc2N MB07663 [1,0,0,0,0,0|1,1,0]=3 53 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.612 c1cc2c(cc1Cl)CNC2=O MB05670 [1,0,0,0,0,0|1,0,2]=4 55 B12R2.612 c1cc2c(cc1Cl)N=NC2=O AB60847 [1,0,0,0,0,0|1,0,1]=3 56 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [1,0,0,0,0,0|1,0,1]=3 57 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [1,0,0,0,0,0|2,0,1]=4 58 B12R2.612 c1cc2c(cc1Cl)cnn2N MB14920 [1,0,0,0,0,0|3,0,0]=4 59 B12R2.612 c1cc2c(cc1Cl)onc2Cl AB25981 [1,0,0,0,0,0|1,0,0]=2 60 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [1,0,0,0,0,0|1,1,1]=4 61 B12R2.612 c1cc2c(cc1F)onc2Cl AB71606 [1,0,0,0,0,0|1,1,0]=3 62 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)F MB07188 [0,0,1,0,0,0|1,1,1]=4 63 B12R1.232 CC(=O)c1cc(c(cc1O)O)Cl MB02763 [0,0,1,0,0,0|2,0,1]=4 64 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O AB00226 [0,0,1,0,0,0|2,1,0]=4 65 B12R1.232 c1c(c(cc(c1N)O)O)C(=O)O MB08936 [0,0,1,0,0,0|3,0,0]=4 66 B12R1.367 c1cc(c(cc1C(=O)C=O)Cl)Cl AB48679 [0,0,1,0,0,0|1,0,2]=4 67 B14R2.8239 Cc1ccc2cc(c(cc2n1)Cl)Cl AB05547 [0,0,0,0,0,1|3,0,0]=4 68 B14R2.8239 c1c(c(cc2c1OCC(=O)N2)Cl)N MB06166 [0,0,0,0,0,1|2,0,1]=4 69 B14R2.28472 Cc1cc2c(cc1Cl)C(=O)CCO2 MB01923 [0,0,0,0,0,1|2,0,1]=4 70 B14R2.28472 c1c2c(cc(c1Cl)Br)ncnc2Cl PB13595 [0,0,0,0,0,1|2,1,0]=4 71 B14R2.28472 c1c2c(cc(c1Cl)Cl)C(=O)CCC2 MB05371 [0,0,0,0,0,1|2,0,1]=4 72 B14R2.28472 c1c2c(cc(c1Cl)Cl)OCCC2=O MB69164 [0,0,0,0,0,1|1,0,1]=3 73 B14R2.28472 c1c2c(cc(c1Cl)Cl)OCCC2N AB38646 [0,0,0,0,0,1|2,0,1]=4 74 B14R2.28472 c1c2c(cc(c1Cl)Cl)OCC[C@@H]2N AB38648 [0,0,0,0,0,1|2,0,1]=4 75 B14R2.28472 c1c2c(cc(c1Cl)Cl)OCC[C@H]2N AB38647 [0,0,0,0,0,1|2,0,1]=4 76 B14R2.28472 c1cnc2cc(c(cc2c1Cl)Cl)Cl AB43475 [0,0,0,0,0,1|3,0,0]=4 77 B14R2.28472 c1cnc2cc(c(cc2c1N)Cl)Cl AB43479 [0,0,0,0,0,1|3,0,0]=4 78 B14R2.28472 c1cnc2cc(c(cc2c1O)Cl)Cl AB05716 [0,0,0,0,0,1|2,0,0]=3 79 B11R1.21 B(c1cc(c(nc1)Cl)Cl)(O)O AB44908 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.21 B(c1ccc(c(c1)C)Cl)(O)O AB12318 [1,0,1,0,0,0|2,0,0]=4 81 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O AB17244 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O AB08089 [1,0,1,0,0,0|1,0,0]=3 83 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O AB02143 [1,0,1,0,0,0|1,1,0]=4 84 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O AB08827 [1,0,1,0,0,0|1,1,0]=4 85 B11R1.21 B(c1ccc(c(c1)N)Cl)(O)O AB13618 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.21 B(c1ccc(c(c1)N)Cl)(O)O AB20318 [1,0,1,0,0,0|2,0,0]=4 87 B11R1.21 B(c1ccc(c(c1)O)Cl)(O)O AB59548 [1,0,1,0,0,0|2,0,0]=4 88 B11R1.21 c1c(c(cnc1C(=O)O)Cl)Cl AB63131 [1,0,1,0,0,0|1,0,1]=4 89 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O PB29008 [1,0,1,0,0,0|1,0,1]=4 90 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F AB06667 [1,0,1,0,0,0|1,1,0]=4 91 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [1,0,1,0,0,0|1,0,1]=4 92 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N AB18390 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.166 c1cc(c(cc1Cl)F)C(=N)N AB18342 [1,0,1,0,0,0|2,0,0]=4 95 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [1,0,1,0,0,0|0,0,2]=4 96 B11R1.167 B(c1cc(ccc1O)Cl)(O)O AB26500 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.167 c1c(c(cnc1Cl)O)C(=O)O AB67788 [1,0,1,0,0,0|2,0,0]=4 98 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.167 c1cc(c(cc1Cl)C(=N)N)F AB21302 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.277 COc1cc(c(cc1O)Br)Cl MB19828 [1,0,1,0,0,0|1,1,0]=4 102 B11R2.36 C1C=C(C=C2C1=NN=C2)Cl PB25912 [2,0,0,0,0,0|1,0,1]=4 103 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [2,0,0,0,0,0|1,1,0]=4 105 B11R2.36 c1cc(cc2c1cco2)N MB09331 [2,0,0,0,0,0|2,0,0]=4 106 B11R2.36 c1cc(cc2c1cco2)O MB06436 [2,0,0,0,0,0|2,0,0]=4 107 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [2,0,0,0,0,0|0,1,0]=3 108 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [2,0,0,0,0,0|0,1,0]=3 109 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [2,0,0,0,0,0|2,0,0]=4 110 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [2,0,0,0,0,0|2,0,0]=4 111 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [2,0,0,0,0,0|1,0,0]=3 112 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [2,0,0,0,0,0|1,0,0]=3 113 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [2,0,0,0,0,0|1,1,0]=4 114 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [2,0,0,0,0,0|1,0,0]=3 115 B11R2.36 c1cc2c(cco2)cc1F AB43937 [2,0,0,0,0,0|1,1,0]=4 116 B11R2.36 c1cc2c(cco2)cc1N AB20798 [2,0,0,0,0,0|2,0,0]=4 117 B11R2.36 c1cc2c(cco2)cc1O MB08821 [2,0,0,0,0,0|2,0,0]=4 118 B11R2.36 c1cc2cnoc2cc1Br AB25994 [2,0,0,0,0,0|0,1,0]=3 119 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [2,0,0,0,0,0|0,0,0]=2 120 B11R2.36 c1cc2cnoc2cc1N AB26008 [2,0,0,0,0,0|1,0,0]=3 121 B11R2.36 c1cc2cnsc2cc1Br MB19419 [2,0,0,0,0,0|0,2,0]=4 122 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [2,0,0,0,0,0|0,1,0]=3 123 B11R2.36 c1cc2conc2cc1Cl MB19396 [2,0,0,0,0,0|2,0,0]=4 124 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [2,0,0,0,0,0|2,0,0]=4 125 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [2,0,0,0,0,0|1,0,1]=4 126 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [2,0,0,0,0,0|1,0,1]=4 127 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [2,0,0,0,0,0|2,0,0]=4 128 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [2,0,0,0,0,0|1,0,0]=3 129 B13R1.511 c1cc(c(cc1CCC(=O)O)Cl)Cl AB01193 [0,1,1,0,0,0|2,0,0]=4 130 B13R2.669 COc1ccc2c(c1)c(no2)Cl AB72257 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.3742 c1c(cc(c2c1C(=O)CO2)Cl)Cl MB06384 [1,1,0,0,0,0|1,0,1]=4 132 B13R2.662 COc1c2ccc(cc2on1)Cl MB09688 [1,1,0,0,0,0|0,0,0]=2 133 B13R2.2130 COc1ccc2c(c1)onc2Cl AB72260 [1,1,0,0,0,0|2,0,0]=4 134 B15R2.86973 c1c2c(cc(c1Cl)Cl)\C(=N\O)\CCC2 AB72123 [0,1,0,0,0,1|2,0,0]=4 135 B15R2.8200 C1=C(C(=CC2=C(N=NC21)C(=O)O)Cl)Cl AB22137 [0,2,0,0,0,0|1,0,1]=4 136 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [1,0,0,0,0,1|1,0,1]=4 137 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [1,0,0,0,0,1|1,0,1]=4 138 B13R2.162 c1cc(cc2c1ccnc2Br)Cl AB70047 [1,0,0,0,0,1|2,0,0]=4 139 B13R2.162 c1cc(cc2c1ccnc2Cl)Cl AB64632 [1,0,0,0,0,1|2,0,0]=4 140 B13R2.162 c1cc(cc2c1ccnc2N)Cl AB64630 [1,0,0,0,0,1|2,0,0]=4 141 B13R2.162 c1cc(nc2c1ccnc2O)Cl AB73786 [1,0,0,0,0,1|2,0,0]=4 142 B13R2.162 c1cc2c(cc1Cl)C(=O)CCO2 AB01419 [1,0,0,0,0,1|1,0,1]=4 143 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O AB01413 [1,0,0,0,0,1|2,0,0]=4 144 B13R2.162 c1cc2c(cc1Cl)c(ncn2)Cl AB03250 [1,0,0,0,0,1|2,0,0]=4 145 B13R2.162 c1cc2c(cc1Cl)c(ncn2)N AB12133 [1,0,0,0,0,1|2,0,0]=4 146 B13R2.3683 c1cc(cc2c1cc(nc2)Br)Cl AB72948 [1,0,0,0,0,1|2,0,0]=4 147 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [1,0,0,0,0,1|2,0,0]=4 148 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)C2 AB56636 [1,0,0,0,0,1|1,0,1]=4 149 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)N2 AB12999 [1,0,0,0,0,1|1,0,1]=4 150 B13R2.3683 c1cc2c(cc1Cl)cnc(n2)N AB31778 [1,0,0,0,0,1|2,0,0]=4 151 B13R2.3683 c1cc2c(cc1Cl)nnc(n2)N MB00343 [1,0,0,0,0,1|2,0,0]=4 152 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [1,0,0,0,0,1|2,0,0]=4 153 B13R2.5179 c1cc(nc2c1c(ncc2)O)Cl AB73796 [1,0,0,0,0,1|2,0,0]=4 154 B13R2.5179 c1cc(nc2c1c(ncn2)O)Cl AB51262 [1,0,0,0,0,1|2,0,0]=4 155 B13R2.5179 c1cc2c(cc1Cl)OCCC2=O MB07535 [1,0,0,0,0,1|1,0,1]=4 156 B13R2.5179 c1cc2c(cc1Cl)cn[nH]c2=O PB30105 [1,0,0,0,0,1|1,0,1]=4 157 B13R2.5179 c1cc2c(cc1Cl)cnnc2Cl PB19262 [1,0,0,0,0,1|2,0,0]=4 158 B13R2.5179 c1cc2c(cc1Cl)ncnc2Cl AB01392 [1,0,0,0,0,1|2,0,0]=4 159 B13R2.5179 c1cc2c(ccnc2Br)cc1Cl AB70045 [1,0,0,0,0,1|2,0,0]=4 160 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [1,0,0,0,0,1|2,0,0]=4 161 B13R2.5179 c1cc2c(ccnc2N)cc1Cl AB39360 [1,0,0,0,0,1|2,0,0]=4 162 B13R2.5179 c1cc2c(ccnc2O)cc1Cl AB64993 [1,0,0,0,0,1|1,0,0]=3