0 B12R2.252 CC(=O)C1=Cc2cccn2C1 Amb27243839 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.252 CC(=O)c1cc2ccsc2s1 Amb18823587 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.252 CC(=O)c1cc2cscc2s1 Amb30026590 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.252 CC(=O)c1cc2csnc2o1 Amb18199512 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.252 CC(=O)c1cc2csnc2s1 Amb18823210 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.252 CC(=O)c1cc2sccc2s1 Amb18823588 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.252 CC(=O)c1cn2ccnc2s1 Amb25891527 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.252 NC(=O)c1cc2cscc2s1 Amb27459071 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.252 NC(=O)c1cc2sccc2s1 Amb2766639 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.252 NC(=O)c1cn2ccnc2s1 Amb24485322 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.252 NC(=O)c1cn2ccsc2n1 Amb26978870 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.252 O=C(Cl)c1cc2cscc2s1 Amb30026656 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.252 O=C(Cl)c1cc2sccc2s1 Amb27823359 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.252 O=C(O)C1=CC2=C(CCC2)C1 Amb25743353 [0,0,0,0,0,0|2,0,2]=4 14 B12R2.252 O=C(O)C1=CC2=CCSC2=C1 Amb27231717 [0,0,0,0,0,0|1,0,1]=2 15 B12R2.252 O=C(O)C1Cc2ccsc2C1 Amb10603806 [0,0,0,0,0,0|1,0,2]=3 16 B12R2.252 O=C(O)C1Cc2sccc2N1 Amb27174646 [0,0,0,0,0,0|2,0,1]=3 17 B12R2.252 O=C(O)c1cc2c(o1)CCC2 Amb18685124 [0,0,0,0,0,0|2,0,2]=4 18 B12R2.252 O=C(O)c1cc2c(o1)CCN2 Amb18201183 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.252 O=C(O)c1cc2c(o1)CNC2 Amb18201182 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.252 O=C(O)c1cc2c(s1)CC=[SH]2 Amb27823330 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.252 O=C(O)c1cc2c(s1)CCC2 Amb1106543 [0,0,0,0,0,0|2,0,2]=4 22 B12R2.252 O=C(O)c1cc2c(s1)CCN2 Amb18199099 [0,0,0,0,0,0|3,0,1]=4 23 B12R2.252 O=C(O)c1cc2c(s1)CCO2 Amb18198939 [0,0,0,0,0,0|3,0,1]=4 24 B12R2.252 O=C(O)c1cc2c(s1)CCS2 Amb18822007 [0,0,0,0,0,0|2,0,2]=4 25 B12R2.252 O=C(O)c1cc2c(s1)CNC2 Amb18199094 [0,0,0,0,0,0|3,0,1]=4 26 B12R2.252 O=C(O)c1cc2c(s1)CSC2 Amb21864734 [0,0,0,0,0,0|3,0,1]=4 27 B12R2.252 O=C(O)c1cc2c(s1)NCC2 Amb18199093 [0,0,0,0,0,0|2,0,2]=4 28 B12R2.252 O=C(O)c1cc2ccnc2n1 Amb26906005 [0,0,0,0,0,0|1,0,1]=2 29 B12R2.252 O=C(O)c1cc2ccoc2s1 Amb8010415 [0,0,0,0,0,0|1,1,0]=2 30 B12R2.252 O=C(O)c1cc2ccsc2s1 Amb2725725 [0,0,0,0,0,0|1,0,0]=1 31 B12R2.252 O=C(O)c1cc2cnoc2s1 Amb18199126 [0,0,0,0,0,0|2,1,0]=3 32 B12R2.252 O=C(O)c1cc2cnsc2o1 Amb18145510 [0,0,0,0,0,0|2,0,0]=2 33 B12R2.252 O=C(O)c1cc2cscc2s1 Amb25698283 [0,0,0,0,0,0|3,0,0]=3 34 B12R2.252 O=C(O)c1cc2ncnc2n1 Amb18201805 [0,0,0,0,0,0|2,0,1]=3 35 B12R2.252 O=C(O)c1cc2nncc2n1 Amb18201800 [0,0,0,0,0,0|3,0,1]=4 36 B12R2.252 O=C(O)c1cc2nnsc2s1 Amb18191227 [0,0,0,0,0,0|3,0,0]=3 37 B12R2.252 O=C(O)c1cc2occc2s1 Amb19374510 [0,0,0,0,0,0|2,1,0]=3 38 B12R2.252 O=C(O)c1cc2occn2n1 Amb27642699 [0,0,0,0,0,0|3,0,1]=4 39 B12R2.252 O=C(O)c1cc2sccc2[se]1 Amb2611537 [0,0,0,0,0,0|2,0,0]=2 40 B12R2.252 O=C(O)c1cc2sccc2o1 Amb18143673 [0,0,0,0,0,0|2,0,0]=2 41 B12R2.252 O=C(O)c1cc2sccc2s1 Amb2234728 [0,0,0,0,0,0|2,0,0]=2 42 B12R2.252 O=C(O)c1cc2sccn2c1 Amb27860139 [0,0,0,0,0,0|2,0,0]=2 43 B12R2.252 O=C(O)c1cc2sccn2n1 Amb33456954 [0,0,0,0,0,0|3,0,0]=3 44 B12R2.252 O=C(O)c1cn2c(n1)SCC2 Amb18198928 [0,0,0,0,0,0|1,0,3]=4 45 B12R2.252 O=C(O)c1cn2ccnc2s1 Amb22001489 [0,0,0,0,0,0|3,0,0]=3 46 B12R2.252 O=C(O)c1cn2ccsc2n1 Amb2688824 [0,0,0,0,0,0|1,0,1]=2 47 B12R2.252 O=C(O)c1cn2ccsc2n1 Amb33528845 [0,0,0,0,0,0|1,0,1]=2 48 B12R2.252 O=C(O)c1cn2cncc2s1 Amb18199330 [0,0,0,0,0,0|4,0,0]=4 49 B12R2.252 O=C(O)c1cn2nccc2o1 Amb27965828 [0,0,0,0,0,0|4,0,0]=4 50 B12R2.252 O=C(O)c1cn2occc2n1 Amb10071427 [0,0,0,0,0,0|3,0,1]=4 51 B12R2.252 OB(O)c1cc2sccc2s1 Amb21962630 [0,0,0,0,0,0|3,0,1]=4 52 B11R2.15 CSc1cc2ccsc2s1 Amb2642745 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.15 NCC1=CN2=C(N1)SC=C2 Amb32429120 [1,0,0,0,0,0|2,0,1]=4 54 B11R2.15 NCc1cc2ccsc2s1 Amb27495546 [1,0,0,0,0,0|2,0,1]=4 55 B11R2.15 O=CC1Cc2ccsc2C1 Amb18831189 [1,0,0,0,0,0|1,0,2]=4 56 B11R2.15 O=Cc1cc2c(s1)SCC2 Amb18197908 [1,0,0,0,0,0|1,0,2]=4 57 B11R2.15 O=Cc1cc2ccnc2n1 Amb27488076 [1,0,0,0,0,0|1,0,1]=3 58 B11R2.15 O=Cc1cc2ccsc2o1 Amb27839409 [1,0,0,0,0,0|1,0,0]=2 59 B11R2.15 O=Cc1cc2ccsc2s1 Amb4140122 [1,0,0,0,0,0|1,0,0]=2 60 B11R2.15 O=Cc1cc2cnnc2n1 Amb27633330 [1,0,0,0,0,0|2,0,1]=4 61 B11R2.15 O=Cc1cc2cscc2s1 Amb24722245 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.15 O=Cc1cc2ncnc2n1 Amb27782476 [1,0,0,0,0,0|2,0,1]=4 63 B11R2.15 O=Cc1cc2ncoc2s1 Amb18831154 [1,0,0,0,0,0|2,1,0]=4 64 B11R2.15 O=Cc1cc2sccc2s1 Amb2611536 [1,0,0,0,0,0|2,0,0]=3 65 B11R2.15 O=Cc1cc2sccn2c1 Amb28315767 [1,0,0,0,0,0|2,0,0]=3 66 B11R2.15 O=Cc1cc2scnc2s1 Amb28049890 [1,0,0,0,0,0|3,0,0]=4 67 B11R2.15 O=Cc1cn2ccnc2s1 Amb18831202 [1,0,0,0,0,0|3,0,0]=4 68 B11R2.15 O=Cc1cn2ccsc2n1 Amb2723514 [1,0,0,0,0,0|1,0,1]=3 69 B11R2.15 OCc1cc2ccsc2s1 Amb25676575 [1,0,0,0,0,0|1,0,1]=3 70 B11R2.15 OCc1cc2sccc2s1 Amb22370975 [1,0,0,0,0,0|2,0,1]=4 71 B11R2.15 OCc1cc2sccn2c1 Amb27948071 [1,0,0,0,0,0|2,0,1]=4 72 B11R2.15 OCc1cn2ccsc2n1 Amb2723515 [1,0,0,0,0,0|1,0,2]=4 73 B13R2.400 CC(=O)c1cc2sc(N)cc2s1 Amb18188360 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.400 CC(=O)c1cc2sc(O)cc2s1 Amb18188028 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.400 Cc1cc2oc(C(=O)O)cc2s1 Amb18677845 [0,1,0,0,0,0|2,0,0]=3 76 B13R2.400 Cc1cc2sc(C(=O)O)cc2s1 Amb2642763 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.400 Cc1cc2sc(C(N)=O)cc2s1 Amb33495671 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.400 Cc1cn2cc(C(=O)O)nc2s1 Amb32671328 [0,1,0,0,0,0|1,0,1]=3 79 B13R2.400 Cc1cn2cc(C(=O)O)nc2s1 Amb7801077 [0,1,0,0,0,0|1,0,1]=3 80 B13R2.400 Cc1cn2cc(C(=O)O)sc2n1 Amb20668433 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.400 Cc1cn2cc(C(=O)O)sc2n1 Amb22157252 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.400 Cc1nc2cc(C(=O)O)nc2n1 Amb18828583 [0,1,0,0,0,0|2,0,1]=4 83 B13R2.400 Cc1nn2cc(C(=O)O)nc2s1 Amb16230776 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.400 Cn1cc2cc(C(=O)O)oc2n1 Amb28255795 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.400 Nc1cc2cc(C(=O)O)sc2s1 Amb18187710 [0,1,0,0,0,0|1,0,0]=2 86 B13R2.400 Nc1cc2sc(C(=O)O)cc2s1 Amb18811184 [0,1,0,0,0,0|2,0,0]=3 87 B13R2.400 Nc1nc2sc(C(=O)O)cc2s1 Amb33538143 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.400 Nc1nc2sc(C(=O)O)cc2s1 Amb845438 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.400 O=C(Cl)c1cc2sc(Cl)cc2s1 Amb5720331 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.400 O=C(O)C1Cc2nc(Br)sc2N1 Amb24392277 [0,1,0,0,0,0|1,0,2]=4 91 B13R2.400 O=C(O)c1cc2cc(Br)sc2s1 Amb33018586 [0,1,0,0,0,0|1,0,0]=2 92 B13R2.400 O=C(O)c1cc2cc(Cl)sc2s1 Amb2642664 [0,1,0,0,0,0|1,0,0]=2 93 B13R2.400 O=C(O)c1cc2sc(Br)cc2o1 Amb18714201 [0,1,0,0,0,0|2,0,0]=3 94 B13R2.400 O=C(O)c1cc2sc(Br)cc2s1 Amb18691820 [0,1,0,0,0,0|2,0,0]=3 95 B13R2.400 O=C(O)c1cc2sc(Cl)cc2s1 Amb2642665 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.400 O=C(O)c1cc2sc(F)cc2s1 Amb2642738 [0,1,0,0,0,0|2,0,0]=3 97 B13R2.400 O=C(O)c1cc2sc(O)cc2s1 Amb18810773 [0,1,0,0,0,0|2,0,0]=3 98 B13R2.400 O=C(O)c1cn2cc(Br)sc2n1 Amb18661851 [0,1,0,0,0,0|1,0,1]=3 99 B13R2.400 O=C(O)c1cn2cc(Cl)nc2s1 Amb27782059 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.400 O=C(O)c1cn2cc(O)nc2s1 Amb35710177 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.400 O=C(O)c1cn2nc(Br)sc2n1 Amb19957775 [0,1,0,0,0,0|2,0,1]=4 102 B13R2.400 O=C1Cc2cc(C(=O)O)sc2N1 Amb18823401 [0,1,0,0,0,0|2,0,1]=4 103 B13R2.400 O=C1Cc2sc(C(=O)O)cc2N1 Amb18823402 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.400 O=C1Nc2cc(C(=O)O)sc2N1 Amb18823015 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.400 O=C1Nc2cc(C(=O)O)sc2O1 Amb18822591 [0,1,0,0,0,0|2,1,0]=4 106 B13R2.400 O=C1Nc2cc(C(=O)O)sc2S1 Amb18810178 [0,1,0,0,0,0|2,0,0]=3 107 B13R2.531 CNC(=O)c1cc2sccc2s1 Amb26859538 [0,1,0,0,0,0|3,0,0]=4 108 B13R2.531 COC(=O)c1cc2c(s1)SCC2 Amb28245592 [0,1,0,0,0,0|1,0,2]=4 109 B13R2.531 COC(=O)c1cc2ccnc2n1 Amb35825156 [0,1,0,0,0,0|1,0,1]=3 110 B13R2.531 COC(=O)c1cc2ccsc2o1 Amb27210184 [0,1,0,0,0,0|1,0,0]=2 111 B13R2.531 COC(=O)c1cc2cscc2s1 Amb22728314 [0,1,0,0,0,0|3,0,0]=4 112 B13R2.531 COC(=O)c1cc2n(c1)CC=C2 Amb27813453 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.531 COC(=O)c1cc2occc2s1 Amb27178894 [0,1,0,0,0,0|2,1,0]=4 114 B13R2.531 COC(=O)c1cc2sccc2s1 Amb2766637 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.531 COC(=O)c1cc2scnc2s1 Amb24178941 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.531 COC(=O)c1cn2ccnc2s1 Amb24683590 [0,1,0,0,0,0|3,0,0]=4 117 B13R2.531 COC(=O)c1cn2ccsc2n1 Amb22233927 [0,1,0,0,0,0|1,0,1]=3 118 B13R2.531 NNC(=O)c1cc2sccc2s1 Amb2766638 [0,1,0,0,0,0|3,0,0]=4 119 B13R2.531 O=C(NO)c1cc2cscc2s1 Amb35739850 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.531 O=C(NO)c1cc2sccc2s1 Amb27654906 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.531 O=C(NO)c1cn2ccnc2s1 Amb27166914 [0,1,0,0,0,0|3,0,0]=4 122 B13R2.2334 CC(=O)c1cc2occc2n1C Amb18829465 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.2334 CC(=O)c1oc2ccsc2c1N Amb18128889 [0,1,0,0,0,0|3,0,0]=4 124 B13R2.2334 Cc1c(C(=O)O)nc2sccn12 Amb10609110 [0,1,0,0,0,0|1,0,1]=3 125 B13R2.2334 Cc1c(C(=O)O)sc2cccn12 Amb27865503 [0,1,0,0,0,0|3,0,0]=4 126 B13R2.2334 Cc1c(C(=O)O)sc2ccsc12 Amb2642762 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.2334 Cc1c(C(=O)O)sc2nccn12 Amb17130223 [0,1,0,0,0,0|3,0,0]=4 128 B13R2.2334 Cc1c(C(=O)O)sc2ncsc12 Amb30666584 [0,1,0,0,0,0|3,0,0]=4 129 B13R2.2334 Cn1c(C(=O)O)cc2c1CCC2 Amb32417005 [0,1,0,0,0,0|1,0,2]=4 130 B13R2.2334 Cn1c(C(=O)O)cc2c1CNC2 Amb18827911 [0,1,0,0,0,0|2,0,1]=4 131 B13R2.2334 Cn1c(C(=O)O)cc2ccsc21 Amb23450795 [0,1,0,0,0,0|0,0,0]=1 132 B13R2.2334 Cn1c(C(=O)O)cc2occc21 Amb17731499 [0,1,0,0,0,0|2,0,0]=3 133 B13R2.2334 Cn1c(C(=O)O)cc2sccc21 Amb2607662 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.2334 Cn1c(C(=O)O)cc2scnc21 Amb25066967 [0,1,0,0,0,0|2,0,0]=3 135 B13R2.2334 Cn1c(C(=O)O)cn2ccnc12 Amb27753898 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.2334 NC(=O)c1sc2ccsc2c1N Amb27748570 [0,1,0,0,0,0|3,0,0]=4 137 B13R2.2334 NC(=O)c1sc2ccsc2c1O Amb27215353 [0,1,0,0,0,0|3,0,0]=4 138 B13R2.2334 NC(=O)c1sc2sccc2c1Cl Amb25277158 [0,1,0,0,0,0|2,0,0]=3 139 B13R2.2334 Nc1c(C(=O)O)oc2ccsc12 Amb18677857 [0,1,0,0,0,0|2,0,0]=3 140 B13R2.2334 Nc1c(C(=O)O)oc2sncc12 Amb18145446 [0,1,0,0,0,0|2,0,0]=3 141 B13R2.2334 Nc1c(C(=O)O)sc2ccsc12 Amb18677865 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.2334 O=C(O)c1nc2sccn2c1Cl Amb32424351 [0,1,0,0,0,0|1,0,1]=3 143 B13R2.2334 O=C(O)c1oc2ccsc2c1Br Amb18714206 [0,1,0,0,0,0|2,0,0]=3 144 B13R2.2334 O=C(O)c1sc2sccc2c1Cl Amb1154136 [0,1,0,0,0,0|1,0,0]=2 145 B13R2.3678 CC(=O)c1cc2c(Br)cnc2n1 Amb18159593 [0,1,0,0,0,0|2,0,1]=4 146 B13R2.3678 CC(=O)c1cc2ccn(C)c2o1 Amb18829464 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.3678 CC(=O)c1cn2c(C)csc2n1 Amb25705003 [0,1,0,0,0,0|2,0,1]=4 148 B13R2.3678 Cc1csc2nc(C(=O)O)cn12 Amb3788341 [0,1,0,0,0,0|1,0,1]=3 149 B13R2.3678 Cc1nnc2nc(C(=O)O)cc12 Amb18828554 [0,1,0,0,0,0|2,0,1]=4 150 B13R2.3678 Cc1noc2oc(C(=O)O)cc12 Amb18827401 [0,1,0,0,0,0|2,1,0]=4 151 B13R2.3678 Cc1noc2sc(C(=O)O)cc12 Amb18823412 [0,1,0,0,0,0|2,1,0]=4 152 B13R2.3678 Cc1nsc2oc(C(=O)O)cc12 Amb18680162 [0,1,0,0,0,0|2,0,0]=3 153 B13R2.3678 Cc1nsc2sc(C(=O)O)cc12 Amb18130601 [0,1,0,0,0,0|2,0,0]=3 154 B13R2.3678 Cc1snc2sc(C(=O)O)cc12 Amb8010164 [0,1,0,0,0,0|3,0,0]=4 155 B13R2.3678 Cn1ccc2cc(C(=O)O)oc21 Amb18828611 [0,1,0,0,0,0|2,0,0]=3 156 B13R2.3678 Cn1ccc2cc(C(=O)O)sc21 Amb18824198 [0,1,0,0,0,0|2,0,0]=3 157 B13R2.3678 Cn1ccc2oc(C(=O)O)cc21 Amb18828608 [0,1,0,0,0,0|3,0,0]=4 158 B13R2.3678 Cn1ccc2sc(C(=O)O)cc21 Amb18824216 [0,1,0,0,0,0|3,0,0]=4 159 B13R2.3678 Cn1cnc2oc(C(=O)O)cc21 Amb18827979 [0,1,0,0,0,0|3,0,0]=4 160 B13R2.3678 Cn1cnc2sc(C(=O)O)cc21 Amb18823812 [0,1,0,0,0,0|3,0,0]=4 161 B13R2.3678 Cn1ncc2cc(C(=O)O)sc21 Amb18823811 [0,1,0,0,0,0|3,0,0]=4 162 B13R2.3678 Nc1nsc2oc(C(=O)O)cc12 Amb18823012 [0,1,0,0,0,0|2,0,0]=3 163 B13R2.3678 O=C(O)c1cc2c(Br)nnc2n1 Amb33231254 [0,1,0,0,0,0|2,0,1]=4 164 B13R2.3678 O=C(O)c1cc2c(o1)CCC2=O Amb28051595 [0,1,0,0,0,0|2,0,1]=4 165 B13R2.3678 O=C(O)c1cc2c(s1)CCC2=O Amb18687934 [0,1,0,0,0,0|2,0,1]=4 166 B13R2.3678 O=C(O)c1cc2scc(Br)c2s1 Amb27801014 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.3678 O=C(O)c1cc2scc(Cl)c2s1 Amb2611415 [0,1,0,0,0,0|2,0,0]=3 168 B13R2.3678 O=C(O)c1cn2c(Br)cnc2s1 Amb33552356 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.35 C=C(Cc1ccco1)C(=O)O Amb27985009 [0,0,1,0,0,0|1,1,0]=3 170 B11R1.35 C=C(Cn1cccn1)C(=O)O Amb33545317 [0,0,1,0,0,0|3,0,0]=4 171 B11R1.35 CC(=O)C(=O)Cc1cccs1 Amb24456858 [0,0,1,0,0,0|3,0,0]=4 172 B11R1.35 CC(=O)C(=O)Nc1ccsc1 Amb27484249 [0,0,1,0,0,0|3,0,0]=4 173 B11R1.35 CC(=O)C(=O)Nc1nccs1 Amb28454115 [0,0,1,0,0,0|3,0,0]=4 174 B11R1.35 CC(=O)\C(C)=C\c1ccoc1 Amb27985419 [0,0,1,0,0,0|2,1,0]=4 175 B11R1.35 CC(=O)\C(C)=C\c1ccsc1 Amb24434611 [0,0,1,0,0,0|2,0,0]=3 176 B11R1.35 CC(Cc1cccs1)C(=O)O Amb5400513 [0,0,1,0,0,0|1,0,2]=4 177 B11R1.35 CC(Cc1ccsc1)C(=O)O Amb17605844 [0,0,1,0,0,0|1,0,2]=4 178 B11R1.35 CC(Nc1cccs1)C(=O)O Amb27646118 [0,0,1,0,0,0|0,0,2]=3 179 B11R1.35 CC(Sc1cccs1)C(=O)O Amb2611557 [0,0,1,0,0,0|1,0,2]=4 180 B11R1.35 C[C@H](Cc1cccs1)C(=O)O Amb10844000 [0,0,1,0,0,0|1,0,2]=4 181 B11R1.35 C[C@H](Nc1cccs1)C(=O)O Amb10603707 [0,0,1,0,0,0|0,0,2]=3 182 B11R1.35 C[C@H](Nc1ccsc1)C(=O)O Amb17912732 [0,0,1,0,0,0|2,0,1]=4 183 B11R1.35 C[C@H](Nc1nccs1)C(=O)O Amb25292918 [0,0,1,0,0,0|1,0,2]=4 184 B11R1.35 C\C(=C/c1ccco1)C(=O)O Amb5743924 [0,0,1,0,0,0|1,1,1]=4 185 B11R1.35 C\C(=C/c1cccs1)C(=O)O Amb5743925 [0,0,1,0,0,0|1,0,1]=3 186 B11R1.35 C\C(=C/c1ccns1)C(=O)O Amb30013782 [0,0,1,0,0,0|2,0,1]=4 187 B11R1.35 C\C(=C/c1ccoc1)C(=O)O Amb27975673 [0,0,1,0,0,0|1,1,0]=3 188 B11R1.35 C\C(=C/c1cncs1)C(=O)O Amb27803283 [0,0,1,0,0,0|2,0,1]=4 189 B11R1.35 C\C(=C/c1cscn1)C(=O)O Amb27453159 [0,0,1,0,0,0|2,0,0]=3 190 B11R1.35 C\C(=C\c1ccco1)C(=O)O Amb4010273 [0,0,1,0,0,0|1,1,1]=4 191 B11R1.35 C\C(=C\c1cccs1)C(=O)Cl Amb27952877 [0,0,1,0,0,0|2,0,1]=4 192 B11R1.35 C\C(=C\c1ccsc1)C(=O)O Amb28069074 [0,0,1,0,0,0|1,0,0]=2 193 B11R1.35 C\C(=C\c1ccsc1)[N+](=O)[O-] Amb2609398 [0,0,1,0,0,0|2,0,1]=4 194 B11R1.35 C\C(=C\c1csnn1)C(=O)O Amb27216706 [0,0,1,0,0,0|3,0,0]=4 195 B11R1.35 C\C(=C\c1nccs1)C(=O)O Amb27250230 [0,0,1,0,0,0|2,0,1]=4 196 B11R1.35 NC(=O)C(=O)Nc1nccs1 Amb1790910 [0,0,1,0,0,0|3,0,0]=4 197 B11R1.35 NC(=O)C(N)Cc1ccsc1 Amb25092321 [0,0,1,0,0,0|1,0,2]=4 198 B11R1.35 NC(Cc1cccs1)C(=O)O Amb9720695 [0,0,1,0,0,0|2,0,1]=4 199 B11R1.35 NC(Cc1ccoc1)C(=O)O Amb21858415 [0,0,1,0,0,0|0,1,2]=4 200 B11R1.35 NC(Cc1ccsc1)C(=O)O Amb2611710 [0,0,1,0,0,0|0,0,2]=3 201 B11R1.35 NC(Cc1ccsc1)C(=O)O Amb33527048 [0,0,1,0,0,0|0,0,2]=3 202 B11R1.35 NC(Cc1ccsn1)C(=O)O Amb18198296 [0,0,1,0,0,0|1,0,2]=4 203 B11R1.35 NC(Cc1cscn1)C(=O)O Amb33620569 [0,0,1,0,0,0|1,0,2]=4 204 B11R1.35 NC(Cc1cscn1)C(=O)O Amb8631053 [0,0,1,0,0,0|1,0,2]=4 205 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb10068210 [0,0,1,0,0,0|2,0,1]=4 206 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb22747410 [0,0,1,0,0,0|2,0,1]=4 207 B11R1.35 N[C@@H](Cc1ccoc1)C(=O)O Amb22228970 [0,0,1,0,0,0|0,1,2]=4 208 B11R1.35 N[C@@H](Cc1ccsc1)C(=O)O Amb10068212 [0,0,1,0,0,0|0,0,2]=3 209 B11R1.35 N[C@@H](Cc1cscn1)C(=O)O Amb10069175 [0,0,1,0,0,0|1,0,2]=4 210 B11R1.35 N[C@H](Cc1cccs1)C(=O)O Amb10068211 [0,0,1,0,0,0|2,0,1]=4 211 B11R1.35 N[C@H](Cc1ccoc1)C(=O)O Amb22228969 [0,0,1,0,0,0|0,1,2]=4 212 B11R1.35 N[C@H](Cc1ccsc1)C(=O)O Amb10068213 [0,0,1,0,0,0|0,0,2]=3 213 B11R1.35 N[C@H](Cc1ccsc1)C(=O)O Amb33725979 [0,0,1,0,0,0|0,0,2]=3 214 B11R1.35 N[C@H](Cc1cscn1)C(=O)O Amb10069174 [0,0,1,0,0,0|1,0,2]=4 215 B11R1.35 N\C(=C/c1ccns1)C(=O)O Amb27883195 [0,0,1,0,0,0|2,0,0]=3 216 B11R1.35 N\C(=C/c1cncs1)C(=O)O Amb35608674 [0,0,1,0,0,0|2,0,0]=3 217 B11R1.35 N\C(=C/c1cnsc1)C(=O)O Amb35715807 [0,0,1,0,0,0|1,0,0]=2 218 B11R1.35 N\C(=C\c1ccco1)C(=O)O Amb27493744 [0,0,1,0,0,0|2,0,0]=3 219 B11R1.35 O=C(O)C(=O)Cc1ccco1 Amb1137668 [0,0,1,0,0,0|2,1,0]=4 220 B11R1.35 O=C(O)C(=O)Cc1cccs1 Amb1135982 [0,0,1,0,0,0|2,0,0]=3 221 B11R1.35 O=C(O)C(=O)Cc1ccns1 Amb30013621 [0,0,1,0,0,0|3,0,0]=4 222 B11R1.35 O=C(O)C(=O)Cc1ccoc1 Amb26072039 [0,0,1,0,0,0|1,1,1]=4 223 B11R1.35 O=C(O)C(=O)Cc1ccsc1 Amb1133942 [0,0,1,0,0,0|1,0,1]=3 224 B11R1.35 O=C(O)C(=O)Cc1cncs1 Amb27945694 [0,0,1,0,0,0|3,0,0]=4 225 B11R1.35 O=C(O)C(=O)Cc1cscn1 Amb25879054 [0,0,1,0,0,0|2,0,1]=4 226 B11R1.35 O=C(O)C(=O)Cc1nccs1 Amb27401968 [0,0,1,0,0,0|3,0,0]=4 227 B11R1.35 O=C(O)C(=O)Nc1cccs1 Amb27450757 [0,0,1,0,0,0|1,0,0]=2 228 B11R1.35 O=C(O)C(=O)Nc1ccsc1 Amb27664522 [0,0,1,0,0,0|2,0,0]=3 229 B11R1.35 O=C(O)C(=O)Nc1cnsc1 Amb30015415 [0,0,1,0,0,0|3,0,0]=4 230 B11R1.35 O=C(O)C(=O)Nc1nccs1 Amb9284838 [0,0,1,0,0,0|2,0,0]=3 231 B11R1.35 O=C(O)C(=O)Nc1nncs1 Amb9303780 [0,0,1,0,0,0|3,0,0]=4 232 B11R1.35 O=C(O)C(=S)Cc1ccco1 Amb4026925 [0,0,1,0,0,0|2,1,0]=4 233 B11R1.35 O=C(O)C(=S)Cc1ccsc1 Amb27407692 [0,0,1,0,0,0|1,0,1]=3 234 B11R1.35 O=C(O)C(O)Cc1cccs1 Amb17138686 [0,0,1,0,0,0|2,0,1]=4 235 B11R1.35 O=C(O)C(O)Cc1ccsc1 Amb26887594 [0,0,1,0,0,0|1,0,2]=4 236 B11R1.35 O=C(O)[C@H](O)Cc1cccs1 Amb25962724 [0,0,1,0,0,0|2,0,1]=4 237 B11R1.35 O=C(O)\C(F)=C\c1cccs1 Amb27470240 [0,0,1,0,0,0|2,0,0]=3 238 B11R1.35 O=C(O)\C(F)=C\c1ccns1 Amb30013797 [0,0,1,0,0,0|3,0,0]=4 239 B11R1.35 O=C(O)\C(F)=C\c1csnn1 Amb28320101 [0,0,1,0,0,0|3,0,0]=4 240 B11R1.35 O=C([O-])C(=O)Cc1cccs1 Amb33512939 [0,0,1,0,0,0|2,0,1]=4 241 B11R1.48 C=Cc1oc(C(=O)O)cc1Br Amb35692562 [0,0,1,0,0,0|3,0,0]=4 242 B11R1.48 C=Cc1sc(C(=O)O)cc1C Amb27840318 [0,0,1,0,0,0|2,0,1]=4 243 B11R1.48 CSc1oc(C(=O)O)cc1Br Amb23538061 [0,0,1,0,0,0|2,0,1]=4 244 B11R1.48 CSc1sc(C(=O)O)cc1Br Amb19515239 [0,0,1,0,0,0|2,0,1]=4 245 B11R1.48 CSc1sc(C(=O)O)cc1N Amb18820000 [0,0,1,0,0,0|2,0,1]=4 246 B11R1.48 Cc1oc(C(=O)O)cc1C=O Amb25072540 [0,0,1,0,0,0|3,0,0]=4 247 B11R1.48 N#Cc1cc(C(=O)O)sc1S Amb18191355 [0,0,1,0,0,0|2,0,1]=4 248 B11R1.48 O=Cc1cc(C(=O)O)oc1Br Amb28435394 [0,0,1,0,0,0|3,0,0]=4 249 B11R1.48 O=Cc1cc(C(=O)O)oc1Cl Amb25855131 [0,0,1,0,0,0|3,0,0]=4 250 B11R1.48 O=Cc1cc(C(=O)O)sc1S Amb18188875 [0,0,1,0,0,0|2,0,0]=3 251 B11R1.90 CC(=O)\C=C\c1ccoc1C Amb33445886 [0,0,1,0,0,0|2,1,0]=4 252 B11R1.90 CC(=O)\C=C\c1sccc1Br Amb27176258 [0,0,1,0,0,0|3,0,0]=4 253 B11R1.90 CC(=O)\C=C\c1sccc1C Amb33448507 [0,0,1,0,0,0|2,0,1]=4 254 B11R1.90 CC(=O)\C=C\c1sccc1Cl Amb33259263 [0,0,1,0,0,0|3,0,0]=4 255 B11R1.90 Cc1ccoc1\C=C\C(=O)O Amb28456772 [0,0,1,0,0,0|1,1,1]=4 256 B11R1.90 Cc1ccsc1CCC(=O)O Amb2592463 [0,0,1,0,0,0|1,0,2]=4 257 B11R1.90 Cc1ccsc1OCC(=O)O Amb33202602 [0,0,1,0,0,0|1,0,2]=4 258 B11R1.90 Cc1ccsc1\C=C/C(N)=O Amb27203317 [0,0,1,0,0,0|2,0,1]=4 259 B11R1.90 Cc1ccsc1\C=C\C(=O)O Amb1153084 [0,0,1,0,0,0|1,0,1]=3 260 B11R1.90 Cc1cocc1\C=C\C(=O)O Amb24617450 [0,0,1,0,0,0|3,0,0]=4 261 B11R1.90 Cc1cscc1\C=C\C(=O)O Amb26421314 [0,0,1,0,0,0|3,0,0]=4 262 B11R1.90 Cc1ncsc1\C=C\C(=O)O Amb33292464 [0,0,1,0,0,0|2,0,1]=4 263 B11R1.90 Cc1occc1\C=C\C(=O)O Amb33171665 [0,0,1,0,0,0|1,1,0]=3 264 B11R1.90 Cc1oncc1\C=C\C(=O)O Amb33361682 [0,0,1,0,0,0|2,1,0]=4 265 B11R1.90 Cc1sccc1CCC(=O)O Amb18198905 [0,0,1,0,0,0|1,0,2]=4 266 B11R1.90 Cn1cccc1\C=C\C(=O)O Amb2371137 [0,0,1,0,0,0|3,0,0]=4 267 B11R1.90 Cn1nccc1\C=C\C(=O)O Amb6889931 [0,0,1,0,0,0|3,0,0]=4 268 B11R1.90 O=C(O)C#Cc1ccsc1Br Amb35602563 [0,0,1,0,0,0|1,0,2]=4 269 B11R1.90 O=C(O)C#Cc1ccsc1Cl Amb27984159 [0,0,1,0,0,0|1,0,2]=4 270 B11R1.90 O=C(O)C#Cc1sccc1F Amb28400810 [0,0,1,0,0,0|2,0,1]=4 271 B11R1.90 O=C(O)CCc1ccsc1Br Amb27453855 [0,0,1,0,0,0|1,0,2]=4 272 B11R1.90 O=C(O)CCc1sccc1Br Amb18293479 [0,0,1,0,0,0|2,0,1]=4 273 B11R1.90 O=C(O)CCc1sccc1Cl Amb28061379 [0,0,1,0,0,0|2,0,1]=4 274 B11R1.90 O=C(O)CCc1sccc1F Amb33470227 [0,0,1,0,0,0|2,0,1]=4 275 B11R1.90 O=C(O)CCc1sccc1I Amb33470233 [0,0,1,0,0,0|2,0,1]=4 276 B11R1.90 O=C(O)CNc1ccsc1Cl Amb27424525 [0,0,1,0,0,0|2,0,1]=4 277 B11R1.90 O=C(O)COc1ccsc1Cl Amb18651352 [0,0,1,0,0,0|2,0,1]=4 278 B11R1.90 O=C(O)COc1sccc1Br Amb33387946 [0,0,1,0,0,0|2,0,1]=4 279 B11R1.90 O=C(O)COc1sccc1Cl Amb32747667 [0,0,1,0,0,0|2,0,1]=4 280 B11R1.90 O=C(O)\C=C\c1ccoc1Br Amb33470062 [0,0,1,0,0,0|1,1,0]=3 281 B11R1.90 O=C(O)\C=C\c1ccoc1Cl Amb33470060 [0,0,1,0,0,0|1,1,0]=3 282 B11R1.90 O=C(O)\C=C\c1ccsc1Br Amb33470113 [0,0,1,0,0,0|1,0,0]=2 283 B11R1.90 O=C(O)\C=C\c1cscc1Br Amb25075327 [0,0,1,0,0,0|3,0,0]=4 284 B11R1.90 O=C(O)\C=C\c1cscc1Cl Amb25700973 [0,0,1,0,0,0|3,0,0]=4 285 B11R1.90 O=C(O)\C=C\c1ncsc1Br Amb33470114 [0,0,1,0,0,0|2,0,0]=3 286 B11R1.90 O=C(O)\C=C\c1sccc1Br Amb26004966 [0,0,1,0,0,0|2,0,0]=3 287 B11R1.90 O=C(O)\C=C\c1sccc1Cl Amb24100812 [0,0,1,0,0,0|2,0,0]=3 288 B11R1.90 O=C(O)\C=C\c1sccc1F Amb33470058 [0,0,1,0,0,0|2,0,0]=3 289 B11R1.90 O=C(O)\C=C\c1sccc1I Amb33470064 [0,0,1,0,0,0|2,0,0]=3 290 B11R1.90 O=C(O)\C=C\c1sncc1Br Amb33470128 [0,0,1,0,0,0|3,0,0]=4 291 B11R1.124 C=CCc1ccc(C(=O)O)o1 Amb27974261 [0,0,1,0,0,0|2,0,0]=3 292 B11R1.124 C=CCc1ccc(C(=O)O)s1 Amb27233618 [0,0,1,0,0,0|2,0,0]=3 293 B11R1.124 C=CCc1nc(C(=O)O)cs1 Amb17205279 [0,0,1,0,0,0|2,0,1]=4 294 B11R1.124 CCSc1ccc(C(=O)O)s1 Amb6889542 [0,0,1,0,0,0|1,0,2]=4 295 B11R1.124 CSSc1ccc(C(=O)O)o1 Amb27435625 [0,0,1,0,0,0|2,0,1]=4 296 B11R1.124 O=C(O)c1ccc(\C=C\Br)s1 Amb33135034 [0,0,1,0,0,0|3,0,0]=4 297 B11R1.124 O=C(O)c1csc(\C=C\Br)c1 Amb33135297 [0,0,1,0,0,0|3,0,0]=4 298 B11R1.124 O=CNc1ccc(C(=O)O)s1 Amb18951593 [0,0,1,0,0,0|3,0,0]=4 299 B11R1.706 O=C(O)C1=CC=CC=CC=C1 Amb22365173 [0,0,1,0,0,0|2,0,0]=3 300 B13R2.430 CC(=O)c1cc2ccoc2cn1 Amb22490558 [0,0,0,0,0,1|1,1,1]=4 301 B13R2.430 CC(=O)c1cc2scnc2cn1 Amb28124631 [0,0,0,0,0,1|3,0,0]=4 302 B13R2.430 CC(=O)c1ccc2c(c1)CC=C2 Amb25128945 [0,0,0,0,0,1|3,0,0]=4 303 B13R2.430 CC(=O)c1ccc2ccoc2c1 Amb23401817 [0,0,0,0,0,1|2,1,0]=4 304 B13R2.430 CC(=O)c1ccc2ccoc2n1 Amb27590281 [0,0,0,0,0,1|1,1,1]=4 305 B13R2.430 CC(=O)c1ccc2cnsc2n1 Amb27494888 [0,0,0,0,0,1|2,0,1]=4 306 B13R2.430 CC(=O)c1ccc2ncsc2c1 Amb21857859 [0,0,0,0,0,1|3,0,0]=4 307 B13R2.430 CC(=O)c1ccc2occc2c1 Amb18830288 [0,0,0,0,0,1|2,1,0]=4 308 B13R2.430 CC(=O)c1ccc2sccc2c1 Amb16232253 [0,0,0,0,0,1|2,0,0]=3 309 B13R2.430 CC(=O)c1ccc2scnc2c1 Amb18243694 [0,0,0,0,0,1|3,0,0]=4 310 B13R2.430 CC(=O)c1cnc2ccsc2c1 Amb19515659 [0,0,0,0,0,1|2,0,0]=3 311 B13R2.430 CC(=O)c1cnc2occc2c1 Amb25667073 [0,0,0,0,0,1|1,1,1]=4 312 B13R2.430 CS(=O)c1ccc2ccsc2c1 Amb27390552 [0,0,0,0,0,1|3,0,0]=4 313 B13R2.430 C[C@@H](O)c1cnc2ccsc2c1 Amb27466821 [0,0,0,0,0,1|2,0,1]=4 314 B13R2.430 C[C@H](O)c1cnc2ccsc2c1 Amb28244031 [0,0,0,0,0,1|2,0,1]=4 315 B13R2.430 N=C(N)c1cnc2ccsc2c1 Amb27166281 [0,0,0,0,0,1|3,0,0]=4 316 B13R2.430 NC(=O)c1cc2ccsc2cn1 Amb27971105 [0,0,0,0,0,1|1,0,1]=3 317 B13R2.430 NC(=O)c1ccc2ccoc2c1 Amb23401819 [0,0,0,0,0,1|2,1,0]=4 318 B13R2.430 NC(=O)c1ccc2ncsc2c1 Amb8997727 [0,0,0,0,0,1|3,0,0]=4 319 B13R2.430 NC(=O)c1ccc2occc2c1 Amb23401830 [0,0,0,0,0,1|2,1,0]=4 320 B13R2.430 NC(=O)c1ccc2sccc2c1 Amb20623818 [0,0,0,0,0,1|2,0,0]=3 321 B13R2.430 NC(=O)c1cnc2ccsc2c1 Amb27663083 [0,0,0,0,0,1|2,0,0]=3 322 B13R2.430 NC(=O)c1cnc2sccc2c1 Amb25132517 [0,0,0,0,0,1|1,0,1]=3 323 B13R2.430 NC(=S)c1ccc2ccsc2n1 Amb27831402 [0,0,0,0,0,1|1,1,1]=4 324 B13R2.430 NC(=S)c1cnc2ccsc2c1 Amb27469456 [0,0,0,0,0,1|2,1,0]=4 325 B13R2.430 O=C(Cl)c1ccc2ccoc2c1 Amb26917355 [0,0,0,0,0,1|2,1,0]=4 326 B13R2.430 O=C(Cl)c1ccc2ncsc2c1 Amb22394891 [0,0,0,0,0,1|3,0,0]=4 327 B13R2.430 O=C(Cl)c1ccc2occc2c1 Amb2723108 [0,0,0,0,0,1|2,1,0]=4 328 B13R2.430 O=C(Cl)c1ccc2sccc2c1 Amb2723379 [0,0,0,0,0,1|2,0,0]=3 329 B13R2.430 O=C(Cl)c1ccc2scnc2c1 Amb22394892 [0,0,0,0,0,1|3,0,0]=4 330 B13R2.430 O=C(O)C1=CCN2C=CNC2=C1 Amb27151475 [0,0,0,0,0,1|3,0,0]=4 331 B13R2.430 O=C(O)C1=Cc2cccn2CN1 Amb26561284 [0,0,0,0,0,1|2,0,0]=3 332 B13R2.430 O=C(O)C1=Cc2ccsc2CC1 Amb27468136 [0,0,0,0,0,1|1,0,0]=2 333 B13R2.430 O=C(O)C1=Cn2cccc2CN1 Amb22495875 [0,0,0,0,0,1|2,0,0]=3 334 B13R2.430 O=C(O)C1CCc2ccsc2C1 Amb5719730 [0,0,0,0,0,1|1,0,2]=4 335 B13R2.430 O=C(O)C1CCc2sccc2C1 Amb18823658 [0,0,0,0,0,1|1,0,2]=4 336 B13R2.430 O=C(O)C1Cc2ccsc2CN1 Amb26371688 [0,0,0,0,0,1|0,0,2]=3 337 B13R2.430 O=C(O)C1Cc2sccc2CN1 Amb18648765 [0,0,0,0,0,1|1,0,2]=4 338 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb10067648 [0,0,0,0,0,1|2,0,1]=4 339 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb2608696 [0,0,0,0,0,1|2,0,1]=4 340 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb19958264 [0,0,0,0,0,1|0,1,1]=3 341 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb22235943 [0,0,0,0,0,1|0,1,1]=3 342 B13R2.430 O=C(O)c1cc2ccsc2cn1 Amb18128312 [0,0,0,0,0,1|0,0,1]=2 343 B13R2.430 O=C(O)c1cc2cscc2cn1 Amb28385657 [0,0,0,0,0,1|2,0,1]=4 344 B13R2.430 O=C(O)c1cc2ncsc2cn1 Amb18824544 [0,0,0,0,0,1|1,0,1]=3 345 B13R2.430 O=C(O)c1cc2occc2cn1 Amb18829553 [0,0,0,0,0,1|1,1,0]=3 346 B13R2.430 O=C(O)c1cc2ocnc2cn1 Amb24066867 [0,0,0,0,0,1|2,0,1]=4 347 B13R2.430 O=C(O)c1cc2sccc2cn1 Amb18128384 [0,0,0,0,0,1|1,0,0]=2 348 B13R2.430 O=C(O)c1cc2sccc2nn1 Amb18128591 [0,0,0,0,0,1|2,0,0]=3 349 B13R2.430 O=C(O)c1cc2scnc2cn1 Amb18824553 [0,0,0,0,0,1|2,0,0]=3 350 B13R2.430 O=C(O)c1ccc2[se]ccc2n1 Amb2611568 [0,0,0,0,0,1|2,0,1]=4 351 B13R2.430 O=C(O)c1ccc2c(c1)C=CC2 Amb24078363 [0,0,0,0,0,1|2,0,0]=3 352 B13R2.430 O=C(O)c1ccc2c(c1)C=N[NH2+]2 Amb2694905 [0,0,0,0,0,1|3,0,0]=4 353 B13R2.430 O=C(O)c1ccc2c(c1)CCS2 Amb27607728 [0,0,0,0,0,1|1,0,2]=4 354 B13R2.430 O=C(O)c1ccc2c(c1)SCC2 Amb27451361 [0,0,0,0,0,1|1,0,2]=4 355 B13R2.430 O=C(O)c1ccc2cccn2c1 Amb16232518 [0,0,0,0,0,1|3,0,0]=4 356 B13R2.430 O=C(O)c1ccc2ccnn2c1 Amb18829868 [0,0,0,0,0,1|3,0,0]=4 357 B13R2.430 O=C(O)c1ccc2ccoc2c1 Amb33542897 [0,0,0,0,0,1|1,1,0]=3 358 B13R2.430 O=C(O)c1ccc2ccsc2c1 Amb9783319 [0,0,0,0,0,1|1,0,0]=2 359 B13R2.430 O=C(O)c1ccc2cnoc2c1 Amb27982959 [0,0,0,0,0,1|2,1,0]=4 360 B13R2.430 O=C(O)c1ccc2cnsc2c1 Amb22754833 [0,0,0,0,0,1|2,0,0]=3 361 B13R2.430 O=C(O)c1ccc2cnsc2n1 Amb27630351 [0,0,0,0,0,1|1,0,1]=3 362 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb24081838 [0,0,0,0,0,1|3,0,0]=4 363 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb2436455 [0,0,0,0,0,1|3,0,0]=4 364 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb8629926 [0,0,0,0,0,1|3,0,0]=4 365 B13R2.430 O=C(O)c1ccc2ncoc2c1 Amb8629960 [0,0,0,0,0,1|2,1,0]=4 366 B13R2.430 O=C(O)c1ccc2ncsc2c1 Amb1207386 [0,0,0,0,0,1|2,0,0]=3 367 B13R2.430 O=C(O)c1ccc2ncsc2n1 Amb22736770 [0,0,0,0,0,1|1,0,1]=3 368 B13R2.430 O=C(O)c1ccc2nnsc2c1 Amb8439690 [0,0,0,0,0,1|3,0,0]=4 369 B13R2.430 O=C(O)c1ccc2occc2c1 Amb2723107 [0,0,0,0,0,1|1,1,0]=3 370 B13R2.430 O=C(O)c1ccc2occc2n1 Amb18645762 [0,0,0,0,0,1|2,0,1]=4 371 B13R2.430 O=C(O)c1ccc2ocnc2c1 Amb5730401 [0,0,0,0,0,1|2,1,0]=4 372 B13R2.430 O=C(O)c1ccc2ocnc2n1 Amb25677507 [0,0,0,0,0,1|2,0,1]=4 373 B13R2.430 O=C(O)c1ccc2oncc2c1 Amb26477875 [0,0,0,0,0,1|2,1,0]=4 374 B13R2.430 O=C(O)c1ccc2sccc2c1 Amb1995219 [0,0,0,0,0,1|1,0,0]=2 375 B13R2.430 O=C(O)c1ccc2sccc2n1 Amb18128400 [0,0,0,0,0,1|2,0,0]=3 376 B13R2.430 O=C(O)c1ccc2scnc2c1 Amb1994154 [0,0,0,0,0,1|2,0,0]=3 377 B13R2.430 O=C(O)c1ccc2sncc2c1 Amb24330535 [0,0,0,0,0,1|2,0,0]=3 378 B13R2.430 O=C(O)c1ccc2snnc2c1 Amb2723135 [0,0,0,0,0,1|3,0,0]=4 379 B13R2.430 O=C(O)c1ccn2cccc2c1 Amb26600537 [0,0,0,0,0,1|3,0,0]=4 380 B13R2.430 O=C(O)c1ccn2ccnc2c1 Amb10071160 [0,0,0,0,0,1|3,0,0]=4 381 B13R2.430 O=C(O)c1ccn2ccnc2c1 Amb8629925 [0,0,0,0,0,1|3,0,0]=4 382 B13R2.430 O=C(O)c1ccn2ccnc2n1 Amb25254671 [0,0,0,0,0,1|2,0,1]=4 383 B13R2.430 O=C(O)c1ccn2ccnc2n1 Amb35747096 [0,0,0,0,0,1|2,0,1]=4 384 B13R2.430 O=C(O)c1ccn2nccc2c1 Amb22235529 [0,0,0,0,0,1|3,0,0]=4 385 B13R2.430 O=C(O)c1cn2cccc2cn1 Amb22747148 [0,0,0,0,0,1|2,0,1]=4 386 B13R2.430 O=C(O)c1cn2ccnc2cn1 Amb22728065 [0,0,0,0,0,1|2,0,1]=4 387 B13R2.430 O=C(O)c1cnc2ccnn2c1 Amb13889372 [0,0,0,0,0,1|3,0,0]=4 388 B13R2.430 O=C(O)c1cnc2ccoc2c1 Amb13890160 [0,0,0,0,0,1|1,1,0]=3 389 B13R2.430 O=C(O)c1cnc2ccsc2c1 Amb18648242 [0,0,0,0,0,1|1,0,0]=2 390 B13R2.430 O=C(O)c1cnc2nccn2c1 Amb18829515 [0,0,0,0,0,1|2,0,1]=4 391 B13R2.430 O=C(O)c1cnc2ncoc2c1 Amb27186299 [0,0,0,0,0,1|2,0,1]=4 392 B13R2.430 O=C(O)c1cnc2occc2c1 Amb18645764 [0,0,0,0,0,1|0,1,1]=3 393 B13R2.430 O=C(O)c1cnc2oncc2c1 Amb18829107 [0,0,0,0,0,1|1,1,1]=4 394 B13R2.430 O=C(O)c1cnc2sccc2c1 Amb18648241 [0,0,0,0,0,1|0,0,1]=2 395 B13R2.430 O=C(O)c1cnc2sccc2n1 Amb18824561 [0,0,0,0,0,1|1,0,1]=3 396 B13R2.430 O=C(O)c1cnc2sncc2c1 Amb18824543 [0,0,0,0,0,1|1,0,1]=3 397 B13R2.430 O=C(O)c1cnc2snnc2c1 Amb24330538 [0,0,0,0,0,1|2,0,1]=4 398 B13R2.430 O=C(O)c1cnn2ccnc2n1 Amb27186826 [0,0,0,0,0,1|2,0,1]=4 399 B13R2.430 O=C(O)c1cnn2nccc2c1 Amb27623648 [0,0,0,0,0,1|2,0,1]=4 400 B13R2.430 O=C(O)c1ncc2cccn2n1 Amb18829522 [0,0,0,0,0,1|2,0,1]=4 401 B13R2.430 O=C(O)c1ncc2ccoc2n1 Amb18522236 [0,0,0,0,0,1|0,1,1]=3 402 B13R2.430 O=C(O)c1ncc2ccsc2n1 Amb18145711 [0,0,0,0,0,1|0,0,1]=2 403 B13R2.430 O=C(O)c1ncc2occc2n1 Amb18829115 [0,0,0,0,0,1|1,1,1]=4 404 B13R2.430 O=N(=O)c1ccc2sccc2c1 Amb20619412 [0,0,0,0,0,1|2,0,1]=4 405 B13R2.430 O=S([O-])c1cnc2ccsc2c1 Amb32754139 [0,0,0,0,0,1|2,0,1]=4 406 B13R2.430 O=S([O-])c1cnc2sccc2c1 Amb32755038 [0,0,0,0,0,1|1,0,2]=4 407 B13R2.430 O=[N+]([O-])c1ccc2ccsc2c1 Amb22755939 [0,0,0,0,0,1|2,0,1]=4 408 B13R2.430 O=[N+]([O-])c1ccc2sccc2c1 Amb8629106 [0,0,0,0,0,1|2,0,1]=4 409 B13R2.430 OB(O)c1ccc2ccsc2c1 Amb27852781 [0,0,0,0,0,1|2,0,1]=4 410 B13R2.430 OB(O)c1ccc2sccc2c1 Amb1995218 [0,0,0,0,0,1|2,0,1]=4 411 B13R2.430 OB(O)c1cnc2sccc2c1 Amb27478631 [0,0,0,0,0,1|1,0,2]=4 412 B13R2.435 CC(=O)C1=Cc2ccccc2C1 Amb17777848 [0,0,0,0,0,1|3,0,0]=4 413 B13R2.435 CC(=O)c1cc2ccccc2o1 Amb1212626 [0,0,0,0,0,1|3,0,0]=4 414 B13R2.435 CC(=O)c1cc2ccccc2s1 Amb5719845 [0,0,0,0,0,1|3,0,0]=4 415 B13R2.435 CC(=O)c1cc2cccnc2s1 Amb18195959 [0,0,0,0,0,1|3,0,0]=4 416 B13R2.435 CC(=O)c1cc2ccncc2o1 Amb18830115 [0,0,0,0,0,1|3,0,0]=4 417 B13R2.435 CC(=O)c1cc2ccncc2s1 Amb18825003 [0,0,0,0,0,1|3,0,0]=4 418 B13R2.435 CC(=O)c1cc2cnccc2o1 Amb18830138 [0,0,0,0,0,1|3,0,0]=4 419 B13R2.435 CC(=O)c1cc2cnccc2s1 Amb18195960 [0,0,0,0,0,1|3,0,0]=4 420 B13R2.435 CC(=O)c1cc2cncnc2s1 Amb18678304 [0,0,0,0,0,1|3,0,0]=4 421 B13R2.435 CC(=O)c1cc2nccnc2o1 Amb18829866 [0,0,0,0,0,1|3,0,0]=4 422 B13R2.435 CC(=O)c1cc2nccnc2s1 Amb18824895 [0,0,0,0,0,1|3,0,0]=4 423 B13R2.435 NC(=O)C1=Cc2ccccc2C1 Amb22227964 [0,0,0,0,0,1|3,0,0]=4 424 B13R2.435 NC(=O)c1cc2ccccc2o1 Amb6337587 [0,0,0,0,0,1|3,0,0]=4 425 B13R2.435 NC(=O)c1cc2ccccc2s1 Amb6341890 [0,0,0,0,0,1|3,0,0]=4 426 B13R2.435 O=C(Cl)c1cc2ccccc2o1 Amb2684582 [0,0,0,0,0,1|3,0,0]=4 427 B13R2.435 O=C(Cl)c1cc2ccccc2s1 Amb2723175 [0,0,0,0,0,1|3,0,0]=4 428 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb22736489 [0,0,0,0,0,1|3,0,0]=4 429 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb27185816 [0,0,0,0,0,1|3,0,0]=4 430 B13R2.435 O=C(O)C1=CN2=CC=CN=C2N1 Amb31128517 [0,0,0,0,0,1|2,0,0]=3 431 B13R2.435 O=C(O)C1=Cc2ccccc2C1 Amb10553818 [0,0,0,0,0,1|2,0,0]=3 432 B13R2.435 O=C(O)C1=Nc2ccccc2C1 Amb24078944 [0,0,0,0,0,1|1,0,2]=4 433 B13R2.435 O=C(O)C1Cc2ccccc2N1 Amb1914079 [0,0,0,0,0,1|1,0,2]=4 434 B13R2.435 O=C(O)C1Cc2cccnc2N1 Amb27794813 [0,0,0,0,0,1|1,0,2]=4 435 B13R2.435 O=C(O)[C@@H]1Cc2ccccc2N1 Amb2698470 [0,0,0,0,0,1|1,0,2]=4 436 B13R2.435 O=C(O)[C@H]1Cc2ccccc2N1 Amb2699613 [0,0,0,0,0,1|1,0,2]=4 437 B13R2.435 O=C(O)c1cc2c(s1)C=CCO2 Amb6718271 [0,0,0,0,0,1|2,0,1]=4 438 B13R2.435 O=C(O)c1cc2c(s1)CSCC2 Amb18810511 [0,0,0,0,0,1|1,0,2]=4 439 B13R2.435 O=C(O)c1cc2c(s1)SCCN2 Amb18685303 [0,0,0,0,0,1|1,0,2]=4 440 B13R2.435 O=C(O)c1cc2ccccc2[se]1 Amb2611625 [0,0,0,0,0,1|2,0,0]=3 441 B13R2.435 O=C(O)c1cc2ccccc2o1 Amb1203290 [0,0,0,0,0,1|2,0,0]=3 442 B13R2.435 O=C(O)c1cc2ccccc2s1 Amb6335225 [0,0,0,0,0,1|2,0,0]=3 443 B13R2.435 O=C(O)c1cc2ccccn2c1 Amb2610302 [0,0,0,0,0,1|3,0,0]=4 444 B13R2.435 O=C(O)c1cc2ccccn2n1 Amb2235996 [0,0,0,0,0,1|2,0,1]=4 445 B13R2.435 O=C(O)c1cc2cccnc2o1 Amb8383389 [0,0,0,0,0,1|2,0,0]=3 446 B13R2.435 O=C(O)c1cc2cccnc2s1 Amb2723080 [0,0,0,0,0,1|2,0,0]=3 447 B13R2.435 O=C(O)c1cc2cccnn2n1 Amb24330534 [0,0,0,0,0,1|2,0,1]=4 448 B13R2.435 O=C(O)c1cc2ccncc2o1 Amb18645760 [0,0,0,0,0,1|2,0,0]=3 449 B13R2.435 O=C(O)c1cc2ccncc2s1 Amb18824745 [0,0,0,0,0,1|2,0,0]=3 450 B13R2.435 O=C(O)c1cc2cnccc2o1 Amb18645761 [0,0,0,0,0,1|2,0,0]=3 451 B13R2.435 O=C(O)c1cc2cnccc2s1 Amb18648240 [0,0,0,0,0,1|2,0,0]=3 452 B13R2.435 O=C(O)c1cc2cncnc2o1 Amb18142231 [0,0,0,0,0,1|2,0,0]=3 453 B13R2.435 O=C(O)c1cc2cncnc2s1 Amb18145660 [0,0,0,0,0,1|2,0,0]=3 454 B13R2.435 O=C(O)c1cc2cncnn2c1 Amb18829518 [0,0,0,0,0,1|3,0,0]=4 455 B13R2.435 O=C(O)c1cc2cnncc2o1 Amb27224397 [0,0,0,0,0,1|3,0,0]=4 456 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb17774703 [0,0,0,0,0,1|2,0,0]=3 457 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb7173138 [0,0,0,0,0,1|2,0,0]=3 458 B13R2.435 O=C(O)c1cc2ncccc2s1 Amb9677586 [0,0,0,0,0,1|2,0,0]=3 459 B13R2.435 O=C(O)c1cc2ncccn2n1 Amb1058799 [0,0,0,0,0,1|2,0,1]=4 460 B13R2.435 O=C(O)c1cc2ncccn2n1 Amb22492395 [0,0,0,0,0,1|2,0,1]=4 461 B13R2.435 O=C(O)c1cc2nccnc2o1 Amb18829111 [0,0,0,0,0,1|2,0,0]=3 462 B13R2.435 O=C(O)c1cc2nccnc2s1 Amb2723505 [0,0,0,0,0,1|2,0,0]=3 463 B13R2.435 O=C(O)c1cc2ncncc2s1 Amb18824542 [0,0,0,0,0,1|3,0,0]=4 464 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb1106602 [0,0,0,0,0,1|2,0,1]=4 465 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb19514889 [0,0,0,0,0,1|2,0,1]=4 466 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb2688822 [0,0,0,0,0,1|2,0,1]=4 467 B13R2.435 O=C(O)c1cn2cccnc2n1 Amb33532058 [0,0,0,0,0,1|2,0,1]=4 468 B13R2.435 O=C(O)c1cn2ccncc2n1 Amb6359289 [0,0,0,0,0,1|2,0,1]=4 469 B13R2.435 O=C(O)c1cn2cnccc2n1 Amb10071587 [0,0,0,0,0,1|2,0,1]=4 470 B13R2.435 O=C(O)c1cn2cncnc2n1 Amb28061009 [0,0,0,0,0,1|2,0,1]=4 471 B13R2.435 O=C(O)c1cn2ncccc2n1 Amb10071426 [0,0,0,0,0,1|2,0,1]=4 472 B13R2.435 O=C(O)c1cn2nccnc2n1 Amb27618841 [0,0,0,0,0,1|2,0,1]=4 473 B13R2.435 O=C(O)c1nc2ccccc2o1 Amb10066905 [0,0,0,0,0,1|2,0,1]=4 474 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb17622301 [0,0,0,0,0,1|2,0,1]=4 475 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb3428729 [0,0,0,0,0,1|2,0,1]=4 476 B13R2.435 O=C(O)c1nc2cccnc2s1 Amb22499596 [0,0,0,0,0,1|2,0,1]=4 477 B13R2.435 O=C(O)c1nc2ccncc2s1 Amb22728609 [0,0,0,0,0,1|2,0,1]=4 478 B13R2.435 O=C(O)c1nc2cnccc2o1 Amb32691510 [0,0,0,0,0,1|2,0,1]=4 479 B13R2.435 O=C(O)c1nc2cnccc2s1 Amb24100066 [0,0,0,0,0,1|2,0,1]=4 480 B13R2.435 O=C(O)c1nc2ncccc2o1 Amb18829106 [0,0,0,0,0,1|2,0,1]=4 481 B13R2.435 O=C(O)c1nc2ncccc2s1 Amb22490341 [0,0,0,0,0,1|2,0,1]=4 482 B13R2.543 CC(=O)Cc1cn2ccsc2n1 Amb27953285 [0,0,0,0,0,1|2,0,1]=4 483 B13R2.543 CC(=O)Nc1cc2ccsc2s1 Amb28242964 [0,0,0,0,0,1|2,0,0]=3 484 B13R2.543 CC(=O)Nc1cc2sccc2s1 Amb27947484 [0,0,0,0,0,1|3,0,0]=4 485 B13R2.543 CC(=S)Nc1cc2ccsc2s1 Amb27439062 [0,0,0,0,0,1|2,1,0]=4 486 B13R2.543 O=C(O)CC1Cc2ccsc2C1 Amb18823671 [0,0,0,0,0,1|1,0,2]=4 487 B13R2.543 O=C(O)Cc1cc2ncoc2s1 Amb18823399 [0,0,0,0,0,1|2,1,0]=4 488 B13R2.543 O=C(O)Cc1cc2occc2s1 Amb18823815 [0,0,0,0,0,1|2,1,0]=4 489 B13R2.543 O=C(O)Cc1cn2ccnc2o1 Amb18827986 [0,0,0,0,0,1|3,0,0]=4 490 B13R2.543 O=C(O)Cc1cn2ccsc2n1 Amb1106610 [0,0,0,0,0,1|1,0,1]=3 491 B13R2.543 O=C(O)Cc1cn2ccsc2n1 Amb33611565 [0,0,0,0,0,1|1,0,1]=3 492 B13R2.543 O=C(O)Cc1cn2ccsc2n1 Amb8503501 [0,0,0,0,0,1|1,0,1]=3 493 B13R2.543 O=C(O)Cc1cn2ncsc2n1 Amb17128426 [0,0,0,0,0,1|2,0,1]=4 494 B13R2.543 O=C(O)Cc1nc2sccc2o1 Amb18823405 [0,0,0,0,0,1|1,0,1]=3 495 B10R1.27 C\C(C=O)=C/c1cccs1 Amb17334333 [1,0,1,0,0,0|1,0,1]=4 496 B10R1.27 C\C(C=O)=C/c1ccsc1 Amb18644530 [1,0,1,0,0,0|1,0,0]=3 497 B10R1.27 C\C(C=O)=C\c1ccoc1 Amb28050918 [1,0,1,0,0,0|1,1,0]=4 498 B10R1.27 C\C(C=O)=C\c1ccsc1 Amb27402244 [1,0,1,0,0,0|1,0,0]=3 499 B10R1.27 O=C\C(Cl)=C/c1cccs1 Amb27227152 [1,0,1,0,0,0|2,0,0]=4 500 B10R1.27 O=C\C(F)=C\c1cccs1 Amb27770449 [1,0,1,0,0,0|2,0,0]=4 501 B10R1.66 CC(=O)\C=C\c1cccs1 Amb33512960 [1,0,1,0,0,0|2,0,0]=4 502 B10R1.66 CC(=O)\C=C\c1ccoc1 Amb24479175 [1,0,1,0,0,0|1,1,0]=4 503 B10R1.66 CC(=O)\C=C\c1ccsc1 Amb22370887 [1,0,1,0,0,0|1,0,0]=3 504 B10R1.66 CC(=O)\C=C\c1cnsc1 Amb26986340 [1,0,1,0,0,0|2,0,0]=4 505 B10R1.66 CC(=O)\C=C\c1cscn1 Amb32954498 [1,0,1,0,0,0|2,0,0]=4 506 B10R1.66 CC(O)\C=C\c1ccsc1 Amb28245048 [1,0,1,0,0,0|1,0,1]=4 507 B10R1.66 NC(=O)\C=C/c1ccoc1 Amb27493171 [1,0,1,0,0,0|1,1,0]=4 508 B10R1.66 NC(=O)\C=C\c1cccs1 Amb3429140 [1,0,1,0,0,0|2,0,0]=4 509 B10R1.66 NC(=O)\C=C\c1cscn1 Amb28370560 [1,0,1,0,0,0|2,0,0]=4 510 B10R1.66 O=C(Cl)\C=C\c1cccs1 Amb7173093 [1,0,1,0,0,0|2,0,0]=4 511 B10R1.66 O=C(Cl)\C=C\c1ccsc1 Amb8385105 [1,0,1,0,0,0|1,0,0]=3 512 B10R1.66 O=C(O)C#Cc1cccs1 Amb17138439 [1,0,1,0,0,0|1,0,1]=4 513 B10R1.66 O=C(O)C#Cc1ccsc1 Amb27770370 [1,0,1,0,0,0|0,0,2]=4 514 B10R1.66 O=C(O)CCc1cccs1 Amb1154297 [1,0,1,0,0,0|1,0,1]=4 515 B10R1.66 O=C(O)CCc1ccsc1 Amb1153814 [1,0,1,0,0,0|0,0,2]=4 516 B10R1.66 O=C(O)CNc1ccco1 Amb27846560 [1,0,1,0,0,0|0,1,1]=4 517 B10R1.66 O=C(O)CNc1cccs1 Amb26516474 [1,0,1,0,0,0|0,0,1]=3 518 B10R1.66 O=C(O)CNc1ccsc1 Amb25322129 [1,0,1,0,0,0|1,0,1]=4 519 B10R1.66 O=C(O)CNc1nccs1 Amb10610433 [1,0,1,0,0,0|1,0,1]=4 520 B10R1.66 O=C(O)CNc1nccs1 Amb6259550 [1,0,1,0,0,0|1,0,1]=4 521 B10R1.66 O=C(O)COc1cccs1 Amb27233232 [1,0,1,0,0,0|1,0,1]=4 522 B10R1.66 O=C(O)COc1ccsc1 Amb18126122 [1,0,1,0,0,0|1,0,1]=4 523 B10R1.66 O=C(O)CSc1cccs1 Amb2796029 [1,0,1,0,0,0|1,0,1]=4 524 B10R1.66 O=C(O)CSc1ccsc1 Amb2611518 [1,0,1,0,0,0|1,0,1]=4 525 B10R1.66 O=C(O)\C=C/c1ccco1 Amb26458726 [1,0,1,0,0,0|1,1,0]=4 526 B10R1.66 O=C(O)\C=C/c1cccs1 Amb27658635 [1,0,1,0,0,0|1,0,0]=3 527 B10R1.66 O=C(O)\C=C/c1ccsc1 Amb10071559 [1,0,1,0,0,0|0,0,0]=2 528 B10R1.66 O=C(O)\C=C\c1ccco1 Amb6335256 [1,0,1,0,0,0|1,1,0]=4 529 B10R1.66 O=C(O)\C=C\c1cccs1 Amb24076486 [1,0,1,0,0,0|1,0,0]=3 530 B10R1.66 O=C(O)\C=C\c1cccs1 Amb33716246 [1,0,1,0,0,0|1,0,0]=3 531 B10R1.66 O=C(O)\C=C\c1ccno1 Amb27851739 [1,0,1,0,0,0|2,0,0]=4 532 B10R1.66 O=C(O)\C=C\c1ccns1 Amb27234709 [1,0,1,0,0,0|2,0,0]=4 533 B10R1.66 O=C(O)\C=C\c1ccoc1 Amb33946022 [1,0,1,0,0,0|0,1,0]=3 534 B10R1.66 O=C(O)\C=C\c1ccon1 Amb33198351 [1,0,1,0,0,0|1,1,0]=4 535 B10R1.66 O=C(O)\C=C\c1ccsc1 Amb1154295 [1,0,1,0,0,0|0,0,0]=2 536 B10R1.66 O=C(O)\C=C\c1ccsn1 Amb24624065 [1,0,1,0,0,0|1,0,0]=3 537 B10R1.66 O=C(O)\C=C\c1cnco1 Amb32954265 [1,0,1,0,0,0|2,0,0]=4 538 B10R1.66 O=C(O)\C=C\c1cncs1 Amb33473685 [1,0,1,0,0,0|2,0,0]=4 539 B10R1.66 O=C(O)\C=C\c1cnsc1 Amb28239806 [1,0,1,0,0,0|1,0,0]=3 540 B10R1.66 O=C(O)\C=C\c1cnsn1 Amb18644786 [1,0,1,0,0,0|2,0,0]=4 541 B10R1.66 O=C(O)\C=C\c1cocn1 Amb24638306 [1,0,1,0,0,0|1,1,0]=4 542 B10R1.66 O=C(O)\C=C\c1cscn1 Amb8836304 [1,0,1,0,0,0|1,0,0]=3 543 B10R1.66 O=C(O)\C=C\c1csnn1 Amb33079448 [1,0,1,0,0,0|2,0,0]=4 544 B10R1.66 O=C(O)\C=C\c1nccs1 Amb8836307 [1,0,1,0,0,0|2,0,0]=4 545 B10R1.66 O=C(O)\C=C\n1ccnc1 Amb26919413 [1,0,1,0,0,0|2,0,0]=4 546 B10R1.66 O=C([O-])\C=C\c1ccsc1 Amb33512980 [1,0,1,0,0,0|0,0,1]=3 547 B10R1.66 O=[N+]([O-])\C=C\c1ccsc1 Amb2764123 [1,0,1,0,0,0|1,0,1]=4 548 B10R1.66 OB(O)\C=C\c1ccsc1 Amb25980634 [1,0,1,0,0,0|1,0,1]=4 549 B10R1.31 C=Cc1ccc(C(=O)O)s1 Amb27606833 [1,0,1,0,0,0|1,0,0]=3 550 B10R1.31 C=Cc1ccc(C(C)=O)s1 Amb28145327 [1,0,1,0,0,0|2,0,0]=4 551 B10R1.31 C=Cc1csc(C(=O)O)c1 Amb32682054 [1,0,1,0,0,0|1,0,0]=3 552 B10R1.31 C=Cc1csc(C(C)=O)c1 Amb27841466 [1,0,1,0,0,0|2,0,0]=4 553 B10R1.31 C=Cc1nc(C(=O)O)co1 Amb27473286 [1,0,1,0,0,0|1,0,1]=4 554 B10R1.31 C=Cc1nc(C(=O)O)cs1 Amb10071216 [1,0,1,0,0,0|1,0,1]=4 555 B10R1.31 C=Cn1ccc(C(=O)O)n1 Amb28049999 [1,0,1,0,0,0|1,0,1]=4 556 B10R1.31 CSc1ccc(C(=O)O)o1 Amb18959560 [1,0,1,0,0,0|1,0,1]=4 557 B10R1.31 CSc1ccc(C(=O)O)s1 Amb1102122 [1,0,1,0,0,0|1,0,1]=4 558 B10R1.31 O=C(O)c1cc(CS)cs1 Amb27400333 [1,0,1,0,0,0|1,0,1]=4 559 B10R1.31 O=Cc1ccc(C(=O)O)o1 Amb2688600 [1,0,1,0,0,0|2,0,0]=4 560 B10R1.31 O=Cc1ccc(C(=O)O)s1 Amb2611502 [1,0,1,0,0,0|2,0,0]=4 561 B10R1.31 O=Cc1coc(C(=O)O)c1 Amb27589260 [1,0,1,0,0,0|1,1,0]=4 562 B10R1.31 O=Cc1csc(C(=O)O)c1 Amb18125941 [1,0,1,0,0,0|1,1,0]=4 563 B10R1.35 C=Cc1cc(C=O)sc1C Amb32682065 [1,0,1,0,0,0|2,0,0]=4 564 B10R1.58 O=C(O)c1cc(Br)c(S)o1 Amb35691417 [1,0,1,0,0,0|2,0,0]=4 565 B10R1.29 Cc1ccsc1\C=C\C=O Amb33136416 [1,0,1,0,0,0|1,0,1]=4 566 B10R1.29 Cc1occc1\C=C\C=O Amb33358783 [1,0,1,0,0,0|1,1,0]=4 567 B10R1.29 O=C\C=C\c1sccc1Br Amb33242845 [1,0,1,0,0,0|2,0,0]=4 568 B10R1.29 O=C\C=C\c1sccc1Cl Amb27847772 [1,0,1,0,0,0|2,0,0]=4 569 B10R1.96 C=CCc1ccc(C=O)o1 Amb27983533 [1,0,1,0,0,0|2,0,0]=4 570 B10R1.96 C\C=C/c1coc(C=O)c1 Amb27973562 [1,0,1,0,0,0|2,0,0]=4 571 B10R2.2 Brc1cc2ccsc2s1 Amb18768359 [2,0,0,0,0,0|2,0,0]=4 572 B10R2.2 Nc1cc2ccsc2s1 Amb18830848 [2,0,0,0,0,0|2,0,0]=4 573 B10R2.2 O=C1Cc2ccsc2C1 Amb18203007 [2,0,0,0,0,0|1,0,1]=4 574 B10R2.2 O=C1Cc2sccc2S1 Amb27842152 [2,0,0,0,0,0|2,0,0]=4 575 B10R2.2 O=C1Nc2ccsc2N1 Amb22899034 [2,0,0,0,0,0|1,0,0]=3 576 B10R2.2 Oc1cc2sccc2s1 Amb24745644 [2,0,0,0,0,0|2,0,0]=4 577 B10R2.2 Oc1cn2ccsc2n1 Amb35710126 [2,0,0,0,0,0|1,0,1]=4 578 B12R1.104 C\C(=C/c1csc(C)n1)C(=O)O Amb25368025 [0,1,1,0,0,0|2,0,0]=4 579 B12R1.104 Cc1cc(C[C@@H](N)C(=O)O)cs1 Amb24446585 [0,1,1,0,0,0|0,0,2]=4 580 B12R1.104 Cc1cc(C[C@H](N)C(=O)O)cs1 Amb25877757 [0,1,1,0,0,0|0,0,2]=4 581 B12R1.104 Cc1ccc(CC(=O)C(=O)O)s1 Amb9303749 [0,1,1,0,0,0|2,0,0]=4 582 B12R1.104 Cc1ccc(NC(=S)C(N)=O)s1 Amb28120027 [0,1,1,0,0,0|2,0,0]=4 583 B12R1.104 Cc1csc(CC(=O)C(=O)O)c1 Amb33427979 [0,1,1,0,0,0|2,0,0]=4 584 B12R1.104 Cc1csc(NC(=O)C(=O)O)n1 Amb9304026 [0,1,1,0,0,0|2,0,0]=4 585 B12R1.104 Cc1ncc(\C=C(\N)C(=O)O)s1 Amb35641003 [0,1,1,0,0,0|2,0,0]=4 586 B12R1.104 Cn1ccc(\C=C(\N)C(=O)O)n1 Amb28256302 [0,1,1,0,0,0|2,0,0]=4 587 B12R1.104 NC(Cc1csc(Br)c1)C(=O)O Amb26317142 [0,1,1,0,0,0|0,0,2]=4 588 B12R1.104 NC(Cc1csc(Cl)c1)C(=O)O Amb28062223 [0,1,1,0,0,0|0,0,2]=4 589 B12R1.104 NC(Cc1csc(Cl)c1)C(=O)O Amb33743920 [0,1,1,0,0,0|0,0,2]=4 590 B12R1.104 N[C@@H](Cc1csc(Cl)c1)C(=O)O Amb25138005 [0,1,1,0,0,0|0,0,2]=4 591 B12R1.104 N[C@H](Cc1csc(Cl)c1)C(=O)O Amb24735847 [0,1,1,0,0,0|0,0,2]=4 592 B12R1.104 O=C(O)C(=O)Cc1cc(Br)cs1 Amb9270959 [0,1,1,0,0,0|2,0,0]=4 593 B12R1.104 O=C(O)C(=O)Cc1cc(Cl)cs1 Amb26873125 [0,1,1,0,0,0|2,0,0]=4 594 B12R1.104 O=C(O)C(=O)Cc1ccc(Br)s1 Amb6250478 [0,1,1,0,0,0|2,0,0]=4 595 B12R1.104 O=C(O)C(=O)Cc1ccc(Cl)s1 Amb9303745 [0,1,1,0,0,0|2,0,0]=4 596 B12R1.104 O=C(O)C(=O)Cc1csc(Br)c1 Amb26853498 [0,1,1,0,0,0|1,0,1]=4 597 B12R1.104 O=C(O)C(=O)Cc1csc(Cl)c1 Amb26540594 [0,1,1,0,0,0|1,0,1]=4 598 B12R1.104 O=C(O)C(=O)Nc1csc(Cl)c1 Amb28317598 [0,1,1,0,0,0|2,0,0]=4 599 B12R1.104 O=C(O)C(=O)Nc1ncc(Br)s1 Amb27196285 [0,1,1,0,0,0|2,0,0]=4 600 B12R1.104 O=C(O)\C(F)=C\c1ccc(Br)s1 Amb27461264 [0,1,1,0,0,0|2,0,0]=4 601 B12R1.108 COC(=O)C(=O)Nc1ccsc1 Amb27416715 [0,1,1,0,0,0|2,0,0]=4 602 B12R1.108 COC(=O)C(=O)Nc1nccs1 Amb28367816 [0,1,1,0,0,0|2,0,0]=4 603 B12R1.108 COC(=O)C(N)Cc1ccsc1 Amb33036796 [0,1,1,0,0,0|0,0,2]=4 604 B12R1.108 COC(=O)C(N)Cc1ccsc1 Amb33607446 [0,1,1,0,0,0|0,0,2]=4 605 B12R1.108 COC(=O)\C(O)=C\c1cccs1 Amb18010728 [0,1,1,0,0,0|2,0,0]=4 606 B12R1.120 C=C(C(=O)O)[C@@H](O)c1ccsc1 Amb27592134 [0,1,1,0,0,0|1,0,1]=4 607 B12R1.120 CC(c1ccsc1)C(N)C(=O)O Amb30040033 [0,1,1,0,0,0|0,0,2]=4 608 B12R1.120 C\C(C(=O)O)=C(\Cl)c1cccs1 Amb28075577 [0,1,1,0,0,0|1,0,1]=4 609 B12R1.120 NC(C(=O)O)C(O)c1ccsc1 Amb25273231 [0,1,1,0,0,0|0,0,2]=4 610 B12R1.120 O=C(O)C(=O)C(=O)c1cccs1 Amb31096970 [0,1,1,0,0,0|2,0,0]=4 611 B12R1.145 CC(=O)\C(C)=C\c1ccsc1Cl Amb28385962 [0,1,1,0,0,0|2,0,0]=4 612 B12R1.145 C\C(=C/c1sccc1Cl)C(=O)O Amb27616806 [0,1,1,0,0,0|1,0,1]=4 613 B12R1.145 C\C(=C\c1sccc1C)C(=O)O Amb27786857 [0,1,1,0,0,0|1,0,1]=4 614 B12R1.145 Cc1ccsc1CC(=O)C(=O)O Amb1132072 [0,1,1,0,0,0|2,0,0]=4 615 B12R1.145 Cc1ccsc1\C=C(\N)C(=O)O Amb27827636 [0,1,1,0,0,0|2,0,0]=4 616 B12R1.145 Cc1cscc1CC(=O)C(=O)O Amb33148719 [0,1,1,0,0,0|1,0,1]=4 617 B12R1.145 Cc1cscc1CC(N)C(=O)O Amb33065909 [0,1,1,0,0,0|0,0,2]=4 618 B12R1.145 Cc1cscc1C[C@@H](N)C(=O)O Amb33036557 [0,1,1,0,0,0|0,0,2]=4 619 B12R1.145 Cc1cscc1C[C@H](N)C(=O)O Amb33065918 [0,1,1,0,0,0|0,0,2]=4 620 B12R1.145 Cc1ncsc1\C=C(\N)C(=O)O Amb35608671 [0,1,1,0,0,0|2,0,0]=4 621 B12R1.145 Cc1sccc1C[C@@H](N)C(=O)O Amb27482297 [0,1,1,0,0,0|0,0,2]=4 622 B12R1.145 Cc1sccc1\C=C(\F)C(=O)O Amb27416930 [0,1,1,0,0,0|1,0,0]=3 623 B12R1.145 Cn1cncc1\C=C(\N)C(=O)O Amb35601938 [0,1,1,0,0,0|2,0,0]=4 624 B12R1.145 NC(Cc1ccsc1Br)C(=O)O Amb25795560 [0,1,1,0,0,0|0,0,2]=4 625 B12R1.145 NC(Cc1ccsc1Br)C(=O)O Amb33743565 [0,1,1,0,0,0|0,0,2]=4 626 B12R1.145 NC(Cc1ccsc1Cl)C(=O)O Amb24399335 [0,1,1,0,0,0|0,0,2]=4 627 B12R1.145 NC(Cc1ccsc1Cl)C(=O)O Amb33299257 [0,1,1,0,0,0|0,0,2]=4 628 B12R1.145 NC(Cc1cscc1Br)C(=O)O Amb27642505 [0,1,1,0,0,0|0,0,2]=4 629 B12R1.145 N[C@@H](Cc1ccsc1Br)C(=O)O Amb25335861 [0,1,1,0,0,0|0,0,2]=4 630 B12R1.145 N[C@@H](Cc1ccsc1Cl)C(=O)O Amb24350624 [0,1,1,0,0,0|0,0,2]=4 631 B12R1.145 N[C@H](Cc1ccsc1Br)C(=O)O Amb24600296 [0,1,1,0,0,0|0,0,2]=4 632 B12R1.145 N[C@H](Cc1ccsc1Cl)C(=O)O Amb28186495 [0,1,1,0,0,0|0,0,2]=4 633 B12R1.145 O=C(O)C(=O)Cc1sccc1Br Amb25110409 [0,1,1,0,0,0|2,0,0]=4 634 B12R1.145 O=C(O)C(=O)Cc1sccc1Cl Amb24626447 [0,1,1,0,0,0|2,0,0]=4 635 B12R1.298 CC\C(=C/c1cccs1)C(=O)O Amb5743949 [0,1,1,0,0,0|1,0,1]=4 636 B12R1.298 CC\C(=C/c1ccoc1)C(=O)O Amb32682150 [0,1,1,0,0,0|1,1,0]=4 637 B12R1.298 CC\C(=C/c1ccsc1)C(=O)O Amb32682154 [0,1,1,0,0,0|1,0,0]=3 638 B12R1.298 CC\C(=C/c1cnsc1)C(=O)O Amb32682142 [0,1,1,0,0,0|2,0,0]=4 639 B12R1.298 CC\C(=C/c1cscn1)C(=O)O Amb32682279 [0,1,1,0,0,0|2,0,0]=4 640 B12R1.298 N#C\C(=C/c1cccs1)C(=O)O Amb1126845 [0,1,1,0,0,0|1,0,1]=4 641 B12R1.298 N#C\C(=C/c1ccoc1)C(=O)O Amb22101154 [0,1,1,0,0,0|0,1,1]=4 642 B12R1.298 N#C\C(=C/c1ccsc1)C(=O)O Amb1128786 [0,1,1,0,0,0|0,0,1]=3 643 B12R1.298 N#C\C(=C/c1ccsc1)C(N)=O Amb32789662 [0,1,1,0,0,0|1,0,1]=4 644 B12R1.298 N#C\C(=C\c1cccs1)C(=O)O Amb2553295 [0,1,1,0,0,0|1,0,1]=4 645 B12R1.298 N#C\C(=C\c1ccsc1)C(=O)O Amb19891157 [0,1,1,0,0,0|0,0,1]=3 646 B12R1.298 NCC(Nc1ccsc1)C(=O)O Amb28124232 [0,1,1,0,0,0|1,0,1]=4 647 B12R1.298 O=C(O)\C(Cc1cccs1)=N/O Amb24635623 [0,1,1,0,0,0|2,0,0]=4 648 B12R1.298 O=C(O)\C(Cc1ccsc1)=N/O Amb27614692 [0,1,1,0,0,0|0,0,2]=4 649 B12R1.81 CC(=O)\C=C/c1ccsc1C=O Amb27592919 [0,1,1,0,0,0|2,0,0]=4 650 B12R1.81 CC(=O)\C=C\c1ccsc1C=O Amb27439094 [0,1,1,0,0,0|2,0,0]=4 651 B12R1.81 CCc1ccsc1\C=C\C(=O)O Amb32729214 [0,1,1,0,0,0|1,0,1]=4 652 B12R1.81 CCc1occc1\C=C\C(=O)O Amb33470068 [0,1,1,0,0,0|1,1,0]=4 653 B12R1.81 COc1ccsc1\C=C\C(=O)O Amb24740865 [0,1,1,0,0,0|1,0,1]=4 654 B12R1.81 O=Cc1ccsc1C#CC(=O)O Amb33076895 [0,1,1,0,0,0|1,0,1]=4 655 B12R1.144 NC(=O)NC(=O)c1ccsc1N Amb6550756 [0,1,1,0,0,0|2,0,0]=4 656 B12R1.353 COC(=O)\C=C\c1ccoc1C Amb26951802 [0,1,1,0,0,0|1,1,0]=4 657 B12R1.353 COC(=O)\C=C\c1ccsc1C Amb28048438 [0,1,1,0,0,0|1,0,0]=3 658 B12R1.353 COC(=O)\C=C\c1sccc1Br Amb28046177 [0,1,1,0,0,0|2,0,0]=4 659 B12R1.353 COC(=O)\C=C\c1sccc1C Amb2780356 [0,1,1,0,0,0|1,0,1]=4 660 B12R1.353 COC(=O)\C=C\c1sccc1Cl Amb28146353 [0,1,1,0,0,0|2,0,0]=4 661 B12R1.861 CC(=O)\C=C\c1cc(C)sc1C Amb33474408 [0,1,1,0,0,0|2,0,0]=4 662 B12R1.861 CC(=O)\C=C\c1cc(Cl)sc1Cl Amb27760604 [0,1,1,0,0,0|2,0,0]=4 663 B12R1.861 Cc1cc(Br)c(\C=C\C(=O)O)s1 Amb33431369 [0,1,1,0,0,0|2,0,0]=4 664 B12R1.861 Cc1cc(\C=C\C(=O)O)c(C)o1 Amb33171623 [0,1,1,0,0,0|1,1,0]=4 665 B12R1.861 Cc1cc(\C=C\C(=O)O)c(C)s1 Amb24061484 [0,1,1,0,0,0|1,0,0]=3 666 B12R1.861 Cc1cc(\C=C\C(N)=O)c(C)s1 Amb24061483 [0,1,1,0,0,0|2,0,0]=4 667 B12R1.861 Cc1nc(\C=C\C(=O)O)c(C)s1 Amb33470123 [0,1,1,0,0,0|2,0,0]=4 668 B12R1.861 Cc1oc(Br)cc1\C=C\C(=O)O Amb33470106 [0,1,1,0,0,0|1,1,0]=4 669 B12R1.861 O=C(O)\C=C\c1cc(Br)sc1Br Amb33470084 [0,1,1,0,0,0|1,0,0]=3 670 B12R1.861 O=C(O)\C=C\c1cc(Cl)sc1Cl Amb18658786 [0,1,1,0,0,0|1,0,0]=3 671 B12R1.870 Cc1csc(\C=C\C(=O)O)c1Br Amb33433894 [0,1,1,0,0,0|2,0,0]=4 672 B12R1.870 Cc1csc(\C=C\C(=O)O)c1Cl Amb33470078 [0,1,1,0,0,0|2,0,0]=4 673 B12R1.895 Cc1coc(C)c1\C=C\C(=O)O Amb33328853 [0,1,1,0,0,0|1,1,0]=4 674 B12R1.337 C=CCNc1ccc(C(=O)O)o1 Amb18805577 [0,1,1,0,0,0|2,0,0]=4 675 B12R1.337 O=C\C=C\c1ccc(C(=O)O)o1 Amb33072948 [0,1,1,0,0,0|2,0,0]=4 676 B12R1.359 C=CC(N)c1ccc(C(=O)O)s1 Amb27461331 [0,1,1,0,0,0|2,0,0]=4 677 B12R1.359 C=CC(O)c1ccc(C(=O)O)o1 Amb27847196 [0,1,1,0,0,0|2,0,0]=4 678 B12R1.359 C=C[C@@H](N)c1ccc(C(=O)O)o1 Amb27842071 [0,1,1,0,0,0|2,0,0]=4 679 B12R1.359 C=C[C@H](N)c1ccc(C(=O)O)o1 Amb27459934 [0,1,1,0,0,0|2,0,0]=4 680 B12R1.359 C=C[C@H](N)c1ccc(C(=O)O)s1 Amb28145852 [0,1,1,0,0,0|2,0,0]=4 681 B12R1.1659 COC(=O)C1=CC=CC=CC=C1 Amb24534302 [0,1,1,0,0,0|2,0,0]=4 682 B12R2.30 Cc1c(C=O)nc2sccn12 Amb18199623 [1,1,0,0,0,0|1,0,1]=4 683 B12R2.30 Cn1c(C=O)cc2ccsc21 Amb18828261 [1,1,0,0,0,0|0,0,0]=2 684 B12R2.30 Cn1c(C=O)cc2sccc21 Amb2723685 [1,1,0,0,0,0|2,0,0]=4 685 B12R2.30 Cn1c(C=O)cn2ccnc12 Amb18831352 [1,1,0,0,0,0|2,0,0]=4 686 B12R2.30 O=Cc1sc2sccc2c1Cl Amb33745992 [1,1,0,0,0,0|1,0,0]=3 687 B12R2.364 Cc1cc2sc(C=O)cc2s1 Amb25151691 [1,1,0,0,0,0|2,0,0]=4 688 B12R2.364 Cc1cn2cc(C=O)nc2s1 Amb17215485 [1,1,0,0,0,0|1,0,1]=4 689 B12R2.364 Nc1cc2cc(C=O)sc2s1 Amb18823209 [1,1,0,0,0,0|1,0,0]=3 690 B12R2.364 O=Cc1cc2cc(Br)sc2s1 Amb18711591 [1,1,0,0,0,0|1,0,0]=3 691 B12R2.364 O=Cc1cc2sc(Br)cc2s1 Amb18154598 [1,1,0,0,0,0|2,0,0]=4 692 B12R2.2040 O=Cc1cc2c(Br)cnc2n1 Amb18172158 [1,1,0,0,0,0|1,0,1]=4 693 B12R2.2040 O=Cc1cc2c(s1)SCC2=O Amb18191660 [1,1,0,0,0,0|1,0,1]=4 694 B12R2.2040 O=Cc1cc2scc(Br)c2s1 Amb33746689 [1,1,0,0,0,0|2,0,0]=4 695 B14R2.601 Cc1cc2c(s1)C=C(C(=O)O)SC2 Amb20528461 [0,1,0,0,0,1|1,0,1]=4 696 B14R2.601 Cc1cc2cc(C(=O)Cl)ccc2s1 Amb27631763 [0,1,0,0,0,1|2,0,0]=4 697 B14R2.601 Cc1cc2cc(C(=O)O)ccc2o1 Amb1099008 [0,1,0,0,0,1|1,1,0]=4 698 B14R2.601 Cc1cc2cc(C(=O)O)ncc2o1 Amb28129273 [0,1,0,0,0,1|0,1,1]=4 699 B14R2.601 Cc1cc2ccc(C(=O)O)cc2s1 Amb27659261 [0,1,0,0,0,1|1,0,0]=3 700 B14R2.601 Cc1cc2cnc(C(=O)O)cc2o1 Amb18196459 [0,1,0,0,0,1|1,1,0]=4 701 B14R2.601 Cc1cc2cnc(C(=O)O)cc2s1 Amb18190373 [0,1,0,0,0,1|1,0,0]=3 702 B14R2.601 Cc1cc2cnc(C(=O)O)nc2s1 Amb18677762 [0,1,0,0,0,1|0,0,1]=3 703 B14R2.601 Cc1nc2cc(C(=O)O)ccc2s1 Amb8056357 [0,1,0,0,0,1|2,0,0]=4 704 B14R2.601 Cc1nc2cc(C(=O)O)cnc2s1 Amb18190019 [0,1,0,0,0,1|1,0,1]=4 705 B14R2.601 Cc1nc2cc(C(=O)O)ncc2s1 Amb18189948 [0,1,0,0,0,1|1,0,1]=4 706 B14R2.601 Cc1nc2ccc(C(=O)O)cc2s1 Amb2608733 [0,1,0,0,0,1|2,0,0]=4 707 B14R2.601 Cc1nc2cnc(C(=O)O)cc2s1 Amb18189993 [0,1,0,0,0,1|2,0,0]=4 708 B14R2.601 N=C1Nc2ccc(C(=O)O)cc2S1 Amb22047473 [0,1,0,0,0,1|2,0,0]=4 709 B14R2.601 Nc1[nH+]c2ccc(C(=O)O)cc2s1 Amb10889800 [0,1,0,0,0,1|2,0,0]=4 710 B14R2.601 Nc1cc2ncc(C(=O)O)cc2s1 Amb18189943 [0,1,0,0,0,1|1,0,0]=3 711 B14R2.601 Nc1nc2cc(C(=O)O)ccc2s1 Amb22586690 [0,1,0,0,0,1|2,0,0]=4 712 B14R2.601 Nc1nc2cc(C(=O)O)ccc2s1 Amb3941333 [0,1,0,0,0,1|2,0,0]=4 713 B14R2.601 Nc1nc2ccc(C(=O)O)cc2s1 Amb6315692 [0,1,0,0,0,1|2,0,0]=4 714 B14R2.601 Nc1nc2ccc(C(=O)O)cc2s1 Amb6573081 [0,1,0,0,0,1|2,0,0]=4 715 B14R2.601 Nc1nc2ncc(C(=O)O)cc2s1 Amb28044448 [0,1,0,0,0,1|2,0,0]=4 716 B14R2.601 O=C(O)c1cc2oc(Br)cc2cn1 Amb27193902 [0,1,0,0,0,1|1,1,0]=4 717 B14R2.601 O=C(O)c1ccc2cc(Br)oc2n1 Amb28053097 [0,1,0,0,0,1|0,1,1]=4 718 B14R2.601 O=C(O)c1ccc2cc(Br)sc2n1 Amb27225130 [0,1,0,0,0,1|0,0,1]=3 719 B14R2.601 O=C(O)c1ccc2cc(Cl)sc2c1 Amb28323589 [0,1,0,0,0,1|1,0,0]=3 720 B14R2.601 O=C(O)c1ccc2cc(Cl)sc2n1 Amb27962413 [0,1,0,0,0,1|0,0,1]=3 721 B14R2.601 O=C(O)c1ccc2cc(O)sc2c1 Amb28051727 [0,1,0,0,0,1|1,0,0]=3 722 B14R2.601 O=C(O)c1ccc2nc(Br)sc2c1 Amb10602026 [0,1,0,0,0,1|2,0,0]=4 723 B14R2.601 O=C(O)c1ccc2nc(Cl)sc2c1 Amb2786652 [0,1,0,0,0,1|2,0,0]=4 724 B14R2.601 O=C(O)c1ccc2nc(F)sc2c1 Amb26513311 [0,1,0,0,0,1|2,0,0]=4 725 B14R2.601 O=C(O)c1ccc2nc(I)sc2c1 Amb27203408 [0,1,0,0,0,1|2,0,0]=4 726 B14R2.601 O=C(O)c1ccc2nc(O)sc2c1 Amb2608736 [0,1,0,0,0,1|2,0,0]=4 727 B14R2.601 O=C(O)c1ccc2nc(S)sc2c1 Amb4058794 [0,1,0,0,0,1|2,0,0]=4 728 B14R2.601 O=C(O)c1ccc2sc(Br)nc2c1 Amb23401180 [0,1,0,0,0,1|2,0,0]=4 729 B14R2.601 O=C(O)c1ccc2sc(Cl)nc2c1 Amb23401179 [0,1,0,0,0,1|2,0,0]=4 730 B14R2.601 O=C(O)c1ccc2sc(S)nc2c1 Amb4301320 [0,1,0,0,0,1|2,0,0]=4 731 B14R2.601 O=C(O)c1cnc2nc(Br)sc2c1 Amb27872716 [0,1,0,0,0,1|2,0,0]=4 732 B14R2.601 O=C(O)c1cnc2sc(Br)nc2c1 Amb27816872 [0,1,0,0,0,1|1,0,1]=4 733 B14R2.601 O=C1Cc2ccc(C(=O)O)cc2S1 Amb27441895 [0,1,0,0,0,1|1,0,1]=4 734 B14R2.601 O=C1N=C2SC=C(C(=O)O)C=C2S1 Amb20655428 [0,1,0,0,0,1|2,0,0]=4 735 B14R2.601 O=C1Oc2ccc(C(=O)O)cc2S1 Amb27494987 [0,1,0,0,0,1|2,0,0]=4 736 B14R2.624 CC(=O)c1cc2sccc2nc1C Amb28421944 [0,1,0,0,0,1|2,0,0]=4 737 B14R2.624 Cc1cc2ccoc2cc1C(=O)O Amb27966853 [0,1,0,0,0,1|1,1,0]=4 738 B14R2.624 Cc1cc2ccsc2cc1C(=O)O Amb18129953 [0,1,0,0,0,1|1,0,0]=3 739 B14R2.624 Cc1nc2ccsc2cc1C(=O)O Amb4560311 [0,1,0,0,0,1|1,0,0]=3 740 B14R2.624 Cc1nc2occc2cc1C(=O)O Amb28320768 [0,1,0,0,0,1|0,1,1]=4 741 B14R2.624 Nc1nc2sncc2cc1C(=O)O Amb18814252 [0,1,0,0,0,1|1,0,1]=4 742 B14R2.624 O=C(O)C1=Cc2ccsc2NC1=O Amb18189567 [0,1,0,0,0,1|0,0,0]=2 743 B14R2.624 O=C(O)c1cc2ccoc2cc1F Amb31156374 [0,1,0,0,0,1|1,1,0]=4 744 B14R2.624 O=C(O)c1cc2ccsc2cc1F Amb27179315 [0,1,0,0,0,1|1,0,0]=3 745 B14R2.624 O=C(O)c1cc2ccsc2oc1=O Amb5720013 [0,1,0,0,0,1|1,0,0]=3 746 B14R2.624 O=C(O)c1cc2occc2cc1F Amb24365902 [0,1,0,0,0,1|1,1,0]=4 747 B14R2.624 O=C(O)c1cc2sccc2cc1O Amb28196458 [0,1,0,0,0,1|1,0,0]=3 748 B14R2.624 O=C(O)c1cc2sccc2nc1Cl Amb18657514 [0,1,0,0,0,1|1,0,0]=3 749 B14R2.624 O=C(O)c1cc2scnc2cc1Br Amb28071653 [0,1,0,0,0,1|2,0,0]=4 750 B14R2.624 O=C(O)c1cc2scnc2cc1Cl Amb27259599 [0,1,0,0,0,1|2,0,0]=4 751 B14R2.966 C#CC(=O)c1ccc2sccc2c1 Amb27858496 [0,1,0,0,0,1|2,0,0]=4 752 B14R2.966 C#CC(=O)c1cnc2ccsc2c1 Amb27792265 [0,1,0,0,0,1|2,0,0]=4 753 B14R2.966 C=CC(=O)c1cnc2ccsc2c1 Amb27782274 [0,1,0,0,0,1|2,0,0]=4 754 B14R2.966 CNC(=O)c1cc2sccc2cn1 Amb28051622 [0,1,0,0,0,1|2,0,0]=4 755 B14R2.966 COC(=O)c1cc2ccoc2cn1 Amb22898850 [0,1,0,0,0,1|0,1,1]=4 756 B14R2.966 COC(=O)c1cc2sccc2cn1 Amb24394334 [0,1,0,0,0,1|1,0,0]=3 757 B14R2.966 COC(=O)c1ccc2ccoc2c1 Amb21964802 [0,1,0,0,0,1|1,1,0]=4 758 B14R2.966 COC(=O)c1ccc2ccoc2n1 Amb33995083 [0,1,0,0,0,1|0,1,1]=4 759 B14R2.966 COC(=O)c1ccc2ncsc2c1 Amb21963755 [0,1,0,0,0,1|2,0,0]=4 760 B14R2.966 COC(=O)c1ccc2occc2c1 Amb2797842 [0,1,0,0,0,1|1,1,0]=4 761 B14R2.966 COC(=O)c1ccc2sccc2c1 Amb25121220 [0,1,0,0,0,1|1,0,0]=3 762 B14R2.966 COC(=O)c1ccc2sccc2n1 Amb26304282 [0,1,0,0,0,1|2,0,0]=4 763 B14R2.966 COC(=O)c1ccc2scnc2c1 Amb22234456 [0,1,0,0,0,1|2,0,0]=4 764 B14R2.966 COC(=O)c1cnc2ccoc2c1 Amb25211908 [0,1,0,0,0,1|1,1,0]=4 765 B14R2.966 COC(=O)c1cnc2occc2c1 Amb24330969 [0,1,0,0,0,1|0,1,1]=4 766 B14R2.966 COC(=O)c1cnc2sccc2c1 Amb27433490 [0,1,0,0,0,1|0,0,1]=3 767 B14R2.966 NNC(=O)c1cc2sccc2cn1 Amb26316656 [0,1,0,0,0,1|2,0,0]=4 768 B14R2.966 N\C(=N\O)c1cnc2ccsc2c1 Amb25045892 [0,1,0,0,0,1|2,0,0]=4 769 B14R2.966 O=C(CBr)c1ccc2sccc2c1 Amb2723380 [0,1,0,0,0,1|2,0,0]=4 770 B14R2.966 O=C(NO)c1ccc2occc2c1 Amb27631577 [0,1,0,0,0,1|1,1,0]=4 771 B14R2.966 O=C(NO)c1ccc2sccc2c1 Amb28204798 [0,1,0,0,0,1|1,0,0]=3 772 B14R2.966 O=CC(O)c1ccc2sccc2c1 Amb35627641 [0,1,0,0,0,1|1,0,1]=4 773 B14R2.5719 CC(=O)c1ccc2c(C)csc2c1 Amb22733805 [0,1,0,0,0,1|2,0,0]=4 774 B14R2.5719 Cc1coc2cc(C(=O)O)ncc12 Amb18196445 [0,1,0,0,0,1|1,1,0]=4 775 B14R2.5719 Cc1csc2c1CSC(C(=O)O)=C2 Amb20528462 [0,1,0,0,0,1|1,0,1]=4 776 B14R2.5719 Cc1csc2cc(C(=O)O)ccc12 Amb18129952 [0,1,0,0,0,1|1,0,0]=3 777 B14R2.5719 Cc1csc2cc(C(=O)O)cnc12 Amb26039327 [0,1,0,0,0,1|1,0,0]=3 778 B14R2.5719 Cc1nsc2cc(C(=O)O)ccc12 Amb27412879 [0,1,0,0,0,1|2,0,0]=4 779 B14R2.5719 Cn1ccc2cc(C(=O)O)ccc21 Amb2723693 [0,1,0,0,0,1|2,0,0]=4 780 B14R2.5719 Cn1ccc2cc(C(=O)O)cnc21 Amb13885141 [0,1,0,0,0,1|1,0,1]=4 781 B14R2.5719 Cn1ccc2cc(C(=O)O)ncc21 Amb18197021 [0,1,0,0,0,1|1,0,1]=4 782 B14R2.5719 O=C(O)c1ccc2c(Br)nsc2n1 Amb27436252 [0,1,0,0,0,1|1,0,1]=4 783 B14R2.5719 O=C(O)c1ccc2c(Cl)coc2c1 Amb27454176 [0,1,0,0,0,1|1,1,0]=4 784 B14R2.5719 O=C(O)c1ccc2c(Cl)nsc2c1 Amb22754887 [0,1,0,0,0,1|2,0,0]=4 785 B14R2.5998 CC(=O)c1cnc2sccc2c1O Amb18130012 [0,1,0,0,0,1|1,0,1]=4 786 B14R2.5998 Cc1c(C(=O)O)ccc2ccsc12 Amb27447863 [0,1,0,0,0,1|1,0,0]=3 787 B14R2.5998 Cc1c(C(=O)O)ccc2occc12 Amb27443223 [0,1,0,0,0,1|1,1,0]=4 788 B14R2.5998 Cc1c(C(=O)O)ccc2sccc12 Amb22900933 [0,1,0,0,0,1|1,0,0]=3 789 B14R2.5998 Cc1c(C(=O)O)cnc2ccsc12 Amb27461413 [0,1,0,0,0,1|1,0,0]=3 790 B14R2.5998 NC(=O)c1cnc2ccsc2c1O Amb27186371 [0,1,0,0,0,1|2,0,0]=4 791 B14R2.5998 Nc1c(C(=O)O)cnc2occc12 Amb28245953 [0,1,0,0,0,1|0,1,1]=4 792 B14R2.5998 Nc1c(C(=O)O)cnc2sccc12 Amb27861129 [0,1,0,0,0,1|0,0,1]=3 793 B14R2.5998 O=C(O)C1=C(Cl)c2ccsc2CC1 Amb27471110 [0,1,0,0,0,1|1,0,0]=3 794 B14R2.5998 O=C(O)C1=CN=C2SC=CN2C1=O Amb18012813 [0,1,0,0,0,1|1,0,1]=4 795 B14R2.5998 O=C(O)C1=CNc2ccoc2C1=O Amb18195018 [0,1,0,0,0,1|1,1,0]=4 796 B14R2.5998 O=C(O)C1=CNc2ccsc2C1=O Amb18189571 [0,1,0,0,0,1|1,0,0]=3 797 B14R2.5998 O=C(O)C1=CNc2cscc2C1=O Amb18189570 [0,1,0,0,0,1|2,0,0]=4 798 B14R2.5998 O=C(O)C1=CNc2scnc2C1=O Amb27162774 [0,1,0,0,0,1|1,0,0]=3 799 B14R2.5998 O=C(O)C1=CNn2cccc2C1=O Amb27179339 [0,1,0,0,0,1|2,0,0]=4 800 B14R2.5998 O=C(O)C1NCc2sccc2C1O Amb27592114 [0,1,0,0,0,1|0,0,2]=4 801 B14R2.5998 O=C(O)c1ccc2ccsc2c1O Amb24488905 [0,1,0,0,0,1|1,0,0]=3 802 B14R2.5998 O=C(O)c1ccc2cnsc2c1F Amb24710257 [0,1,0,0,0,1|2,0,0]=4 803 B14R2.5998 O=C(O)c1ccc2occc2c1O Amb18195743 [0,1,0,0,0,1|1,1,0]=4 804 B14R2.5998 O=C(O)c1ccc2sccc2c1O Amb26585217 [0,1,0,0,0,1|1,0,0]=3 805 B14R2.5998 O=C(O)c1cnc2ccsc2c1Cl Amb22490909 [0,1,0,0,0,1|1,0,0]=3 806 B14R2.5998 O=C(O)c1cnc2occc2c1Cl Amb18188191 [0,1,0,0,0,1|0,1,1]=4 807 B14R2.5998 O=C(O)c1cnc2sccc2c1Cl Amb18173790 [0,1,0,0,0,1|0,0,1]=3 808 B14R2.5998 O=C(O)c1ncc2ccsc2c1O Amb27215073 [0,1,0,0,0,1|1,0,0]=3 809 B14R2.8824 Cc1cc(C(=O)O)cc2scnc12 Amb27428973 [0,1,0,0,0,1|2,0,0]=4 810 B14R2.8824 Cc1nc(C(=O)O)cc2occc12 Amb18196444 [0,1,0,0,0,1|1,1,0]=4 811 B14R2.8824 Cc1nc(C(=O)O)cc2sccc12 Amb18190335 [0,1,0,0,0,1|1,0,0]=3 812 B14R2.8824 NC(=O)c1cc(Cl)c2sccc2c1 Amb27648949 [0,1,0,0,0,1|2,0,0]=4 813 B14R2.8824 NC(=O)c1cc(O)c2sccc2c1 Amb28383398 [0,1,0,0,0,1|2,0,0]=4 814 B14R2.8824 O=C(O)C1=CC(=O)N2C=CSC2=N1 Amb19787658 [0,1,0,0,0,1|1,0,1]=4 815 B14R2.8824 O=C(O)C1=Cc2ccsc2C(=O)N1 Amb18652073 [0,1,0,0,0,1|0,0,0]=2 816 B14R2.8824 O=C(O)C1=Cc2cscc2C(=O)N1 Amb18130173 [0,1,0,0,0,1|2,0,0]=4 817 B14R2.8824 O=C(O)C1=Cc2occc2C(=O)C1 Amb28243382 [0,1,0,0,0,1|1,1,0]=4 818 B14R2.8824 O=C(O)C1=Cc2sccc2C(=O)N1 Amb18130172 [0,1,0,0,0,1|1,0,0]=3 819 B14R2.8824 O=C(O)C1=Nc2ccoc2C(=O)N1 Amb18824578 [0,1,0,0,0,1|1,1,0]=4 820 B14R2.8824 O=C(O)C1=Nc2ccsc2C(=O)N1 Amb18813376 [0,1,0,0,0,1|1,0,0]=3 821 B14R2.8824 O=C(O)C1=Nc2sccc2C(=O)N1 Amb18542374 [0,1,0,0,0,1|0,0,1]=3 822 B14R2.8824 O=C(O)c1cc(Br)c2ncsc2c1 Amb27193236 [0,1,0,0,0,1|2,0,0]=4 823 B14R2.8824 O=C(O)c1cc(Br)c2occc2c1 Amb28398170 [0,1,0,0,0,1|1,1,0]=4 824 B14R2.8824 O=C(O)c1cc(Cl)c2ccsc2c1 Amb27246845 [0,1,0,0,0,1|1,0,0]=3 825 B14R2.8824 O=C(O)c1cc(Cl)c2cnsc2c1 Amb27968071 [0,1,0,0,0,1|2,0,0]=4 826 B14R2.8824 O=C(O)c1cc(Cl)c2sccc2n1 Amb27859843 [0,1,0,0,0,1|2,0,0]=4 827 B14R2.8824 O=C(O)c1cc(F)c2occc2c1 Amb27633566 [0,1,0,0,0,1|1,1,0]=4 828 B14R2.8824 O=C(O)c1cc(O)c2ccoc2c1 Amb18128039 [0,1,0,0,0,1|1,1,0]=4 829 B14R2.8824 O=C(O)c1cc(O)c2ccsc2c1 Amb18669674 [0,1,0,0,0,1|1,0,0]=3 830 B14R2.8824 O=C(O)c1cc(O)c2ccsc2n1 Amb28129264 [0,1,0,0,0,1|0,0,1]=3 831 B14R2.8824 O=C(O)c1cc(O)c2sccc2c1 Amb23585427 [0,1,0,0,0,1|1,0,0]=3 832 B14R2.8824 O=C(O)c1cc2ccoc2c(Cl)n1 Amb26881360 [0,1,0,0,0,1|0,1,1]=4 833 B14R2.8824 O=C(O)c1nc(Cl)c2ccsc2n1 Amb27224426 [0,1,0,0,0,1|0,0,1]=3 834 B14R2.8824 O=C1CC(C(=O)O)Cc2sccc21 Amb5719536 [0,1,0,0,0,1|1,0,1]=4 835 B14R2.24358 CC(=O)c1cc2c(Br)csc2cn1 Amb27200752 [0,1,0,0,0,1|1,0,1]=4 836 B14R2.24358 CC(=O)c1cnc2scc(Br)c2c1 Amb27631542 [0,1,0,0,0,1|1,0,1]=4 837 B14R2.24358 Cc1coc2ccc(C(=O)O)cc12 Amb24062161 [0,1,0,0,0,1|1,1,0]=4 838 B14R2.24358 Cc1csc2ccc(C(=O)O)cc12 Amb2614626 [0,1,0,0,0,1|1,0,0]=3 839 B14R2.24358 Cc1nsc2ccc(C(=O)O)cc12 Amb22754842 [0,1,0,0,0,1|2,0,0]=4 840 B14R2.24358 Cc1nsc2ncc(C(=O)O)cc12 Amb8372995 [0,1,0,0,0,1|1,0,1]=4 841 B14R2.24358 Cn1ccc2ccc(C(=O)O)cc21 Amb2723768 [0,1,0,0,0,1|2,0,0]=4 842 B14R2.24358 Cn1ccc2ccc(C(=O)O)nc21 Amb25209490 [0,1,0,0,0,1|1,0,1]=4 843 B14R2.24358 Cn1ccc2cnc(C(=O)O)nc21 Amb18681033 [0,1,0,0,0,1|1,0,1]=4 844 B14R2.24358 Cn1ccc2ncc(C(=O)O)cc21 Amb25898504 [0,1,0,0,0,1|2,0,0]=4 845 B14R2.24358 Nc1csc2ccc(C(=O)O)cc12 Amb33306882 [0,1,0,0,0,1|1,0,0]=3 846 B14R2.24358 Nc1csc2ncc(C(=O)O)cc12 Amb18189940 [0,1,0,0,0,1|0,0,1]=3 847 B14R2.24358 Nc1nsc2ccc(C(=O)O)cc12 Amb4101438 [0,1,0,0,0,1|2,0,0]=4 848 B14R2.24358 O=C(O)C1=CNC2=NNC(=O)C2=C1 Amb33550052 [0,1,0,0,0,1|2,0,0]=4 849 B14R2.24358 O=C(O)c1cc2c(Br)coc2cn1 Amb27644682 [0,1,0,0,0,1|0,1,1]=4 850 B14R2.24358 O=C(O)c1cc2c(Br)csc2cn1 Amb27237226 [0,1,0,0,0,1|0,0,1]=3 851 B14R2.24358 O=C(O)c1ccc2occ(Br)c2c1 Amb24328700 [0,1,0,0,0,1|1,1,0]=4 852 B14R2.24358 O=C(O)c1ccc2scc(Br)c2c1 Amb27263705 [0,1,0,0,0,1|1,0,0]=3 853 B14R2.24358 O=C(O)c1ccc2scc(O)c2c1 Amb33306879 [0,1,0,0,0,1|1,0,0]=3 854 B14R2.24358 O=C(O)c1cnc2snc(Cl)c2c1 Amb18173903 [0,1,0,0,0,1|1,0,1]=4 855 B14R2.450 CC(=O)c1cc2ccccc2n1C Amb10808756 [0,1,0,0,0,1|2,0,0]=4 856 B14R2.450 CC(=O)c1cc2ccccc2n1N Amb18197684 [0,1,0,0,0,1|2,0,0]=4 857 B14R2.450 CC(=O)c1cc2ccccc2n1O Amb26493236 [0,1,0,0,0,1|2,0,0]=4 858 B14R2.450 CC1=C(C(=O)O)Cc2ccccc21 Amb6201317 [0,1,0,0,0,1|2,0,0]=4 859 B14R2.450 CC1C(C(=O)O)=Cc2ccccc21 Amb8392929 [0,1,0,0,0,1|2,0,0]=4 860 B14R2.450 Cc1c(C(=O)O)oc2ccccc12 Amb6335226 [0,1,0,0,0,1|2,0,0]=4 861 B14R2.450 Cc1c(C(=O)O)oc2cccnc12 Amb22372214 [0,1,0,0,0,1|2,0,0]=4 862 B14R2.450 Cc1c(C(=O)O)oc2cnccc12 Amb27863433 [0,1,0,0,0,1|2,0,0]=4 863 B14R2.450 Cc1c(C(=O)O)sc2ccccc12 Amb1219874 [0,1,0,0,0,1|2,0,0]=4 864 B14R2.450 Cc1c(C(=O)O)sc2ncccc12 Amb27433246 [0,1,0,0,0,1|2,0,0]=4 865 B14R2.450 Cn1c(C(=O)Cl)cc2ccccc21 Amb19958210 [0,1,0,0,0,1|2,0,0]=4 866 B14R2.450 Cn1c(C(=O)O)cc2ccccc21 Amb1832457 [0,1,0,0,0,1|1,0,0]=3 867 B14R2.450 Cn1c(C(=O)O)cc2cccnc21 Amb18147767 [0,1,0,0,0,1|1,0,0]=3 868 B14R2.450 Cn1c(C(=O)O)cc2ccncc21 Amb24069757 [0,1,0,0,0,1|1,0,0]=3 869 B14R2.450 Cn1c(C(=O)O)cc2cncnc21 Amb18680931 [0,1,0,0,0,1|1,0,0]=3 870 B14R2.450 Cn1c(C(=O)O)nc2ccccc21 Amb2723073 [0,1,0,0,0,1|2,0,0]=4 871 B14R2.450 Cn1c(C(=O)O)nc2cccnc21 Amb8009398 [0,1,0,0,0,1|2,0,0]=4 872 B14R2.450 Cn1c(C(=O)O)nc2ccncc21 Amb28128262 [0,1,0,0,0,1|2,0,0]=4 873 B14R2.450 Cn1c(C(=O)O)nc2cnccc21 Amb18196329 [0,1,0,0,0,1|2,0,0]=4 874 B14R2.450 Cn1c(C(=O)O)nc2ncccc21 Amb28396634 [0,1,0,0,0,1|2,0,0]=4 875 B14R2.450 Cn1c(C(=O)O)pc2ccccc21 Amb28291635 [0,1,0,0,0,1|2,0,0]=4 876 B14R2.450 Cn1c(C(N)=O)cc2ccccc21 Amb2613608 [0,1,0,0,0,1|2,0,0]=4 877 B14R2.450 NC(=O)c1cc2ccccc2n1N Amb28073994 [0,1,0,0,0,1|2,0,0]=4 878 B14R2.450 Nc1c(C(=O)O)oc2ccccc12 Amb18118466 [0,1,0,0,0,1|2,0,0]=4 879 B14R2.450 Nc1c(C(=O)O)oc2ncccc12 Amb18683855 [0,1,0,0,0,1|2,0,0]=4 880 B14R2.450 Nc1c(C(=O)O)sc2ccccc12 Amb845439 [0,1,0,0,0,1|2,0,0]=4 881 B14R2.450 Nc1c(C(=O)O)sc2cccnc12 Amb13890619 [0,1,0,0,0,1|2,0,0]=4 882 B14R2.450 Nc1c(C(=O)O)sc2cnccc12 Amb18189949 [0,1,0,0,0,1|2,0,0]=4 883 B14R2.450 Nc1c(C(=O)O)sc2ncccc12 Amb1915158 [0,1,0,0,0,1|2,0,0]=4 884 B14R2.450 Nc1c(C(=O)O)sc2nccnc12 Amb2724994 [0,1,0,0,0,1|2,0,0]=4 885 B14R2.450 Nc1c(C(=O)O)sc2ncncc12 Amb18680435 [0,1,0,0,0,1|2,0,0]=4 886 B14R2.450 O=C(O)C1=C(Cl)c2ccccc2C1 Amb27266149 [0,1,0,0,0,1|2,0,0]=4 887 B14R2.450 O=C(O)C1=Cc2ccccc2C1O Amb26471384 [0,1,0,0,0,1|2,0,0]=4 888 B14R2.450 O=C(O)C1Nc2ccccc2C1=O Amb17594502 [0,1,0,0,0,1|1,0,1]=4 889 B14R2.450 O=C(O)c1[se]c2ccccc2c1Br Amb1147928 [0,1,0,0,0,1|2,0,0]=4 890 B14R2.450 O=C(O)c1nc2ccccc2n1O Amb2795925 [0,1,0,0,0,1|2,0,0]=4 891 B14R2.450 O=C(O)c1oc2ccccc2c1Br Amb18136322 [0,1,0,0,0,1|2,0,0]=4 892 B14R2.450 O=C(O)c1oc2ccccc2c1Cl Amb18188662 [0,1,0,0,0,1|2,0,0]=4 893 B14R2.450 O=C(O)c1oc2cnccc2c1Br Amb27209753 [0,1,0,0,0,1|2,0,0]=4 894 B14R2.450 O=C(O)c1oc2ncccc2c1O Amb27409737 [0,1,0,0,0,1|2,0,0]=4 895 B14R2.450 O=C(O)c1oc2nccnc2c1Cl Amb18187857 [0,1,0,0,0,1|2,0,0]=4 896 B14R2.450 O=C(O)c1sc2ccccc2c1Br Amb20672009 [0,1,0,0,0,1|2,0,0]=4 897 B14R2.450 O=C(O)c1sc2ccccc2c1Cl Amb6335588 [0,1,0,0,0,1|2,0,0]=4 898 B14R2.450 O=C(O)c1sc2ccccc2c1F Amb28196507 [0,1,0,0,0,1|2,0,0]=4 899 B14R2.450 O=C(O)c1sc2ccccc2c1I Amb22751342 [0,1,0,0,0,1|2,0,0]=4 900 B14R2.450 O=C(O)c1sc2ccccc2c1O Amb16230697 [0,1,0,0,0,1|2,0,0]=4 901 B14R2.450 O=C(O)c1sc2ccccc2c1S Amb18131197 [0,1,0,0,0,1|2,0,0]=4 902 B14R2.450 O=C(O)c1sc2cccnc2c1Br Amb27587207 [0,1,0,0,0,1|2,0,0]=4 903 B14R2.450 O=C(O)c1sc2cccnc2c1Cl Amb24578851 [0,1,0,0,0,1|2,0,0]=4 904 B14R2.450 O=C(O)c1sc2ccncc2c1Cl Amb27962564 [0,1,0,0,0,1|2,0,0]=4 905 B14R2.450 O=C(O)c1sc2ncccc2c1Br Amb18692442 [0,1,0,0,0,1|2,0,0]=4 906 B14R2.450 O=C(O)c1sc2ncccc2c1Cl Amb5721089 [0,1,0,0,0,1|2,0,0]=4 907 B14R2.450 O=C(O)c1sc2nccnc2c1Cl Amb18173914 [0,1,0,0,0,1|2,0,0]=4 908 B14R2.972 COC(=O)C1=Cc2ccccc2C1 Amb25776174 [0,1,0,0,0,1|2,0,0]=4 909 B14R2.972 COC(=O)c1cc2ccccc2o1 Amb2438530 [0,1,0,0,0,1|2,0,0]=4 910 B14R2.972 COC(=O)c1cc2ccccc2s1 Amb1089421 [0,1,0,0,0,1|2,0,0]=4 911 B14R2.972 COC(=O)c1cc2cccnc2s1 Amb10975342 [0,1,0,0,0,1|2,0,0]=4 912 B14R2.972 COC(=O)c1cc2ccncc2s1 Amb20075908 [0,1,0,0,0,1|2,0,0]=4 913 B14R2.972 COC(=O)c1cc2cnccc2s1 Amb25897258 [0,1,0,0,0,1|2,0,0]=4 914 B14R2.972 COC(=O)c1cc2cncnc2s1 Amb26449250 [0,1,0,0,0,1|2,0,0]=4 915 B14R2.972 COC(=O)c1cc2ncccc2s1 Amb9677683 [0,1,0,0,0,1|2,0,0]=4 916 B14R2.972 COC(=O)c1cc2nccnc2s1 Amb24179185 [0,1,0,0,0,1|2,0,0]=4 917 B14R2.972 O=C(CO)c1cc2ccccc2o1 Amb18808836 [0,1,0,0,0,1|2,0,0]=4 918 B14R2.972 O=C(CO)c1cc2ccccc2s1 Amb27462459 [0,1,0,0,0,1|2,0,0]=4 919 B14R2.972 O=C(NO)c1cc2ccccc2o1 Amb6279288 [0,1,0,0,0,1|2,0,0]=4 920 B14R2.4529 CC1=CC=N2C=C(C(=O)O)NC2=N1 Amb31128509 [0,1,0,0,0,1|2,0,0]=4 921 B14R2.4529 Cc1ccc2cc(C(=O)O)oc2c1 Amb7088969 [0,1,0,0,0,1|2,0,0]=4 922 B14R2.4529 Cc1ccc2cc(C(=O)O)sc2c1 Amb5328964 [0,1,0,0,0,1|2,0,0]=4 923 B14R2.4529 Cc1ccc2cc(C(=O)O)sc2n1 Amb18190384 [0,1,0,0,0,1|2,0,0]=4 924 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2c1 Amb1950844 [0,1,0,0,0,1|2,0,0]=4 925 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2n1 Amb19358168 [0,1,0,0,0,1|2,0,0]=4 926 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2n1 Amb9174202 [0,1,0,0,0,1|2,0,0]=4 927 B14R2.4529 Cc1ccc2sc(C(=O)O)cc2c1 Amb2724851 [0,1,0,0,0,1|2,0,0]=4 928 B14R2.4529 Cc1cnc2cc(C(=O)O)sc2n1 Amb18815172 [0,1,0,0,0,1|2,0,0]=4 929 B14R2.4529 Cc1cnc2sc(C(=O)O)cc2c1 Amb28369962 [0,1,0,0,0,1|2,0,0]=4 930 B14R2.4529 Cc1ncc2cc(C(=O)O)oc2n1 Amb18145767 [0,1,0,0,0,1|2,0,0]=4 931 B14R2.4529 Cc1ncc2cc(C(=O)O)sc2n1 Amb18680454 [0,1,0,0,0,1|2,0,0]=4 932 B14R2.4529 Nc1ccc2cc(C(=O)O)oc2c1 Amb18670711 [0,1,0,0,0,1|2,0,0]=4 933 B14R2.4529 Nc1ccc2cc(C(=O)O)sc2c1 Amb18670820 [0,1,0,0,0,1|2,0,0]=4 934 B14R2.4529 Nc1ccc2oc(C(=O)O)cc2c1 Amb10975495 [0,1,0,0,0,1|2,0,0]=4 935 B14R2.4529 Nc1ccc2oc(C(=O)O)cc2c1 Amb9200655 [0,1,0,0,0,1|2,0,0]=4 936 B14R2.4529 Nc1ccc2sc(C(=O)O)cc2c1 Amb2196730 [0,1,0,0,0,1|2,0,0]=4 937 B14R2.4529 Nc1ccc2sc(C(=O)O)cc2c1 Amb2455030 [0,1,0,0,0,1|2,0,0]=4 938 B14R2.4529 Nc1cnc2sc(C(=O)O)cc2c1 Amb18190022 [0,1,0,0,0,1|2,0,0]=4 939 B14R2.4529 Nc1ncc2cc(C(=O)O)sc2n1 Amb26576201 [0,1,0,0,0,1|2,0,0]=4 940 B14R2.4529 O=C(O)C1=Cc2ccc(Cl)cc2C1 Amb27657657 [0,1,0,0,0,1|2,0,0]=4 941 B14R2.4529 O=C(O)c1cc2cc(Br)ccc2o1 Amb1091880 [0,1,0,0,0,1|2,0,0]=4 942 B14R2.4529 O=C(O)c1cc2cc(Br)ccc2s1 Amb2423290 [0,1,0,0,0,1|2,0,0]=4 943 B14R2.4529 O=C(O)c1cc2cc(Br)cnc2s1 Amb26512877 [0,1,0,0,0,1|2,0,0]=4 944 B14R2.4529 O=C(O)c1cc2cc(Cl)ccc2o1 Amb1154613 [0,1,0,0,0,1|2,0,0]=4 945 B14R2.4529 O=C(O)c1cc2cc(Cl)ccc2s1 Amb5328936 [0,1,0,0,0,1|2,0,0]=4 946 B14R2.4529 O=C(O)c1cc2cc(Cl)ncc2o1 Amb27748849 [0,1,0,0,0,1|2,0,0]=4 947 B14R2.4529 O=C(O)c1cc2cc(F)ccc2o1 Amb9174483 [0,1,0,0,0,1|2,0,0]=4 948 B14R2.4529 O=C(O)c1cc2cc(F)ccc2s1 Amb1154250 [0,1,0,0,0,1|2,0,0]=4 949 B14R2.4529 O=C(O)c1cc2cc(F)cnc2s1 Amb32655501 [0,1,0,0,0,1|2,0,0]=4 950 B14R2.4529 O=C(O)c1cc2cc(I)ccc2o1 Amb22751603 [0,1,0,0,0,1|2,0,0]=4 951 B14R2.4529 O=C(O)c1cc2cc(O)ccc2o1 Amb13881926 [0,1,0,0,0,1|2,0,0]=4 952 B14R2.4529 O=C(O)c1cc2cc(O)ccc2s1 Amb18130069 [0,1,0,0,0,1|2,0,0]=4 953 B14R2.4529 O=C(O)c1cc2ccc(Br)cc2o1 Amb2446994 [0,1,0,0,0,1|2,0,0]=4 954 B14R2.4529 O=C(O)c1cc2ccc(Br)cc2s1 Amb5328958 [0,1,0,0,0,1|2,0,0]=4 955 B14R2.4529 O=C(O)c1cc2ccc(Cl)cc2o1 Amb18188661 [0,1,0,0,0,1|2,0,0]=4 956 B14R2.4529 O=C(O)c1cc2ccc(Cl)cc2s1 Amb2237307 [0,1,0,0,0,1|2,0,0]=4 957 B14R2.4529 O=C(O)c1cc2ccc(Cl)nc2o1 Amb18130437 [0,1,0,0,0,1|2,0,0]=4 958 B14R2.4529 O=C(O)c1cc2ccc(Cl)nc2s1 Amb32655496 [0,1,0,0,0,1|2,0,0]=4 959 B14R2.4529 O=C(O)c1cc2ccc(F)cc2o1 Amb18824570 [0,1,0,0,0,1|2,0,0]=4 960 B14R2.4529 O=C(O)c1cc2ccc(F)cc2s1 Amb1106075 [0,1,0,0,0,1|2,0,0]=4 961 B14R2.4529 O=C(O)c1cc2ccc(F)nc2s1 Amb32679673 [0,1,0,0,0,1|2,0,0]=4 962 B14R2.4529 O=C(O)c1cc2ccc(O)cc2o1 Amb21864630 [0,1,0,0,0,1|2,0,0]=4 963 B14R2.4529 O=C(O)c1cc2ccc(O)cc2s1 Amb27636509 [0,1,0,0,0,1|2,0,0]=4 964 B14R2.4529 O=C(O)c1cc2ccc(O)nc2s1 Amb33742098 [0,1,0,0,0,1|2,0,0]=4 965 B14R2.4529 O=C(O)c1cc2cnc(Cl)nc2s1 Amb25331284 [0,1,0,0,0,1|2,0,0]=4 966 B14R2.4529 O=C(O)c1cc2nc(Cl)ccc2s1 Amb32665221 [0,1,0,0,0,1|2,0,0]=4 967 B14R2.4529 O=C(O)c1cc2nc(Cl)cnc2s1 Amb27592898 [0,1,0,0,0,1|2,0,0]=4 968 B14R2.4529 O=C(O)c1cc2ncc(Br)cc2o1 Amb32712625 [0,1,0,0,0,1|2,0,0]=4 969 B14R2.4529 O=C(O)c1cc2ncc(Br)cc2s1 Amb27203688 [0,1,0,0,0,1|2,0,0]=4 970 B14R2.4529 O=C(O)c1cc2ncc(Cl)nc2o1 Amb18187858 [0,1,0,0,0,1|2,0,0]=4 971 B14R2.4529 O=C(O)c1cc2ncc(Cl)nc2s1 Amb18173917 [0,1,0,0,0,1|2,0,0]=4 972 B14R2.4529 O=C1C=C2C=C(C(=O)O)NC2=CN1 Amb27984992 [0,1,0,0,0,1|1,0,0]=3 973 B14R2.4529 O=C1C=Nc2sc(C(=O)O)cc2N1 Amb27623858 [0,1,0,0,0,1|2,0,0]=4 974 B14R2.4529 O=C1CSc2sc(C(=O)O)cc2N1 Amb18147704 [0,1,0,0,0,1|1,0,1]=4 975 B14R2.7969 Cc1cccc2cc(C(=O)O)oc12 Amb33526870 [0,1,0,0,0,1|2,0,0]=4 976 B14R2.7969 Cc1cccc2cc(C(=O)O)sc12 Amb26304262 [0,1,0,0,0,1|2,0,0]=4 977 B14R2.7969 Cc1cccc2oc(C(=O)O)cc12 Amb18197060 [0,1,0,0,0,1|2,0,0]=4 978 B14R2.7969 Cc1cccc2sc(C(=O)O)cc12 Amb5328963 [0,1,0,0,0,1|2,0,0]=4 979 B14R2.7969 Cc1ccnc2oc(C(=O)O)cc12 Amb18683844 [0,1,0,0,0,1|2,0,0]=4 980 B14R2.7969 Cc1ccnc2sc(C(=O)O)cc12 Amb18147615 [0,1,0,0,0,1|2,0,0]=4 981 B14R2.7969 Cc1cncc2cc(C(=O)O)sc12 Amb33166600 [0,1,0,0,0,1|2,0,0]=4 982 B14R2.7969 Cc1ncnc2oc(C(=O)O)cc12 Amb18145735 [0,1,0,0,0,1|2,0,0]=4 983 B14R2.7969 Cc1ncnc2sc(C(=O)O)cc12 Amb18145654 [0,1,0,0,0,1|2,0,0]=4 984 B14R2.7969 Nc1cccc2cc(C(=O)O)oc12 Amb17606143 [0,1,0,0,0,1|2,0,0]=4 985 B14R2.7969 Nc1cccc2cc(C(=O)O)oc12 Amb9197957 [0,1,0,0,0,1|2,0,0]=4 986 B14R2.7969 Nc1cccc2cc(C(=O)O)sc12 Amb27771092 [0,1,0,0,0,1|2,0,0]=4 987 B14R2.7969 Nc1cccc2oc(C(=O)O)cc12 Amb18670700 [0,1,0,0,0,1|2,0,0]=4 988 B14R2.7969 Nc1cccc2sc(C(=O)O)cc12 Amb18138384 [0,1,0,0,0,1|2,0,0]=4 989 B14R2.7969 Nc1ccnc2sc(C(=O)O)cc12 Amb27636519 [0,1,0,0,0,1|2,0,0]=4 990 B14R2.7969 Nc1cncc2sc(C(=O)O)cc12 Amb18190021 [0,1,0,0,0,1|2,0,0]=4 991 B14R2.7969 Nc1nccc2oc(C(=O)O)cc12 Amb23539076 [0,1,0,0,0,1|2,0,0]=4 992 B14R2.7969 Nc1ncnc2sc(C(=O)O)cc12 Amb27623211 [0,1,0,0,0,1|2,0,0]=4 993 B14R2.7969 O=C(O)C1=CN2=C(O)C=CN=C2N1 Amb31128506 [0,1,0,0,0,1|2,0,0]=4 994 B14R2.7969 O=C(O)C1=CN2C(=O)C=CN=C2N1 Amb18194986 [0,1,0,0,0,1|2,0,0]=4 995 B14R2.7969 O=C(O)C1=CN2CC=CC(Br)=C2N1 Amb27879011 [0,1,0,0,0,1|2,0,0]=4 996 B14R2.7969 O=C(O)c1cc2c(Br)cccc2o1 Amb18730278 [0,1,0,0,0,1|2,0,0]=4 997 B14R2.7969 O=C(O)c1cc2c(Br)cccc2s1 Amb5328957 [0,1,0,0,0,1|2,0,0]=4 998 B14R2.7969 O=C(O)c1cc2c(Br)cncc2s1 Amb22170152 [0,1,0,0,0,1|2,0,0]=4 999 B14R2.7969 O=C(O)c1cc2c(Cl)cccc2o1 Amb18652523 [0,1,0,0,0,1|2,0,0]=4 1000 B14R2.7969 O=C(O)c1cc2c(Cl)cccc2s1 Amb43692 [0,1,0,0,0,1|2,0,0]=4 1001 B14R2.7969 O=C(O)c1cc2c(Cl)ccnc2s1 Amb33549375 [0,1,0,0,0,1|2,0,0]=4 1002 B14R2.7969 O=C(O)c1cc2c(Cl)cncc2o1 Amb18188192 [0,1,0,0,0,1|2,0,0]=4 1003 B14R2.7969 O=C(O)c1cc2c(Cl)cncc2s1 Amb25366041 [0,1,0,0,0,1|2,0,0]=4 1004 B14R2.7969 O=C(O)c1cc2c(Cl)nccc2o1 Amb18130436 [0,1,0,0,0,1|2,0,0]=4 1005 B14R2.7969 O=C(O)c1cc2c(Cl)nccc2s1 Amb19957352 [0,1,0,0,0,1|2,0,0]=4 1006 B14R2.7969 O=C(O)c1cc2c(Cl)ncnc2s1 Amb22737460 [0,1,0,0,0,1|2,0,0]=4 1007 B14R2.7969 O=C(O)c1cc2c(F)cccc2o1 Amb18824571 [0,1,0,0,0,1|2,0,0]=4 1008 B14R2.7969 O=C(O)c1cc2c(F)cccc2s1 Amb1215726 [0,1,0,0,0,1|2,0,0]=4 1009 B14R2.7969 O=C(O)c1cc2c(F)cncc2s1 Amb24087198 [0,1,0,0,0,1|2,0,0]=4 1010 B14R2.7969 O=C(O)c1cc2c(O)cccc2o1 Amb27241405 [0,1,0,0,0,1|2,0,0]=4 1011 B14R2.7969 O=C(O)c1cc2c(O)cccc2s1 Amb24392528 [0,1,0,0,0,1|2,0,0]=4 1012 B14R2.7969 O=C(O)c1cc2c(O)nccc2o1 Amb26053848 [0,1,0,0,0,1|2,0,0]=4 1013 B14R2.7969 O=C(O)c1cc2c(s1)C(=O)C=CN2 Amb18189572 [0,1,0,0,0,1|2,0,0]=4 1014 B14R2.7969 O=C(O)c1cc2c(s1)C(=O)NC=C2 Amb27668154 [0,1,0,0,0,1|2,0,0]=4 1015 B14R2.7969 O=C(O)c1cc2c(s1)N=CNC2=O Amb18189071 [0,1,0,0,0,1|2,0,0]=4 1016 B14R2.7969 O=C(O)c1cc2cccc(Br)c2o1 Amb7969836 [0,1,0,0,0,1|2,0,0]=4 1017 B14R2.7969 O=C(O)c1cc2cccc(Br)c2s1 Amb19894989 [0,1,0,0,0,1|2,0,0]=4 1018 B14R2.7969 O=C(O)c1cc2cccc(Cl)c2o1 Amb8875416 [0,1,0,0,0,1|2,0,0]=4 1019 B14R2.7969 O=C(O)c1cc2cccc(Cl)c2s1 Amb5328932 [0,1,0,0,0,1|2,0,0]=4 1020 B14R2.7969 O=C(O)c1cc2cccc(F)c2o1 Amb8873734 [0,1,0,0,0,1|2,0,0]=4 1021 B14R2.7969 O=C(O)c1cc2cccc(F)c2s1 Amb6384468 [0,1,0,0,0,1|2,0,0]=4 1022 B14R2.7969 O=C(O)c1cc2cccc(O)c2o1 Amb13881925 [0,1,0,0,0,1|2,0,0]=4 1023 B14R2.7969 O=C(O)c1cc2cccc(O)c2s1 Amb18130068 [0,1,0,0,0,1|2,0,0]=4 1024 B14R2.7969 O=C(O)c1cc2ccnc(Cl)c2s1 Amb26314011 [0,1,0,0,0,1|2,0,0]=4 1025 B14R2.7969 O=C(O)c1cc2cncc(Br)c2s1 Amb32677691 [0,1,0,0,0,1|2,0,0]=4 1026 B14R2.7969 O=C(O)c1cc2cncc(I)c2o1 Amb27448102 [0,1,0,0,0,1|2,0,0]=4 1027 B14R2.7969 O=C(O)c1cc2nccc(Cl)c2s1 Amb22494146 [0,1,0,0,0,1|2,0,0]=4 1028 B14R2.706 Cc1cn2cc(CC(=O)O)cc2s1 Amb25819794 [0,1,0,0,0,1|2,0,0]=4 1029 B14R2.706 Cc1cn2cc(CC(=O)O)nc2s1 Amb17128397 [0,1,0,0,0,1|1,0,1]=4 1030 B14R2.706 O=C(O)Cc1cn2cc(Cl)sc2n1 Amb10669552 [0,1,0,0,0,1|1,0,1]=4 1031 B14R2.2844 COC(=O)Cc1cn2ccsc2n1 Amb8340342 [0,1,0,0,0,1|1,0,1]=4 1032 B14R2.2844 COC(=O)Cn1cc2ccsc2c1 Amb27225874 [0,1,0,0,0,1|2,0,0]=4 1033 B14R2.2918 Cn1c(CC(=O)O)cn2ccnc12 Amb18194837 [0,1,0,0,0,1|2,0,0]=4 1034 B14R2.3023 CC(C(=O)O)c1cn2ccsc2n1 Amb7968839 [0,1,0,0,0,1|1,0,1]=4 1035 B14R2.3023 O=C(O)C(=O)c1cc2ccsc2s1 Amb27789576 [0,1,0,0,0,1|1,0,0]=3 1036 B14R2.5615 Cc1csc2cc(CC(=O)O)cn12 Amb18670384 [0,1,0,0,0,1|2,0,0]=4 1037 B14R2.5615 Cc1csc2nc(CC(=O)O)cn12 Amb6316140 [0,1,0,0,0,1|1,0,1]=4 1038 B14R2.648 Cc1cc2c(cc(C(=O)O)n2C)o1 Amb19890412 [0,2,0,0,0,0|2,0,0]=4 1039 B14R2.648 Cc1cc2c(cc(C(=O)O)n2C)s1 Amb16679456 [0,2,0,0,0,0|2,0,0]=4 1040 B14R2.648 Cc1cc2oc(C(=O)O)c(N)c2s1 Amb18677853 [0,2,0,0,0,0|2,0,0]=4 1041 B14R2.648 Cc1cc2sc(C(=O)O)c(C)c2s1 Amb2642767 [0,2,0,0,0,0|2,0,0]=4 1042 B14R2.648 Cc1cc2sc(C(=O)O)c(N)c2s1 Amb18143684 [0,2,0,0,0,0|2,0,0]=4 1043 B14R2.648 Cc1cn2c(Cl)c(C(=O)O)nc2s1 Amb32862961 [0,2,0,0,0,0|1,0,1]=4 1044 B14R2.648 Cc1nc2c(C)c(C(=O)O)sc2s1 Amb18174823 [0,2,0,0,0,0|2,0,0]=4 1045 B14R2.648 Cc1nc2c(cc(C(=O)O)n2C)s1 Amb27955140 [0,2,0,0,0,0|2,0,0]=4 1046 B14R2.648 Cn1c(C(=O)O)cc2nc(Br)sc21 Amb27585564 [0,2,0,0,0,0|1,0,0]=3 1047 B14R2.648 Cn1c(C(=O)O)cc2sc(Br)cc21 Amb20528081 [0,2,0,0,0,0|2,0,0]=4 1048 B14R2.648 Cn1c(C(=O)O)cn2cc(O)nc12 Amb35710173 [0,2,0,0,0,0|2,0,0]=4 1049 B14R2.707 Cc1sc2cc(C(=O)O)oc2c1C Amb18143652 [0,2,0,0,0,0|2,0,0]=4 1050 B14R2.707 Cc1sc2nc(C(=O)O)cn2c1C Amb17215827 [0,2,0,0,0,0|1,0,1]=4 1051 B14R2.1194 CC(=O)c1cc2cc(C=O)sc2s1 Amb18773802 [0,2,0,0,0,0|2,0,0]=4 1052 B14R2.1194 CCc1cc2cc(C(=O)O)sc2s1 Amb2707738 [0,2,0,0,0,0|1,0,0]=3 1053 B14R2.1194 CCc1cc2sc(C(=O)O)cc2s1 Amb18677877 [0,2,0,0,0,0|2,0,0]=4 1054 B14R2.1194 CNc1cc2sc(C(=O)O)cc2s1 Amb33495833 [0,2,0,0,0,0|2,0,0]=4 1055 B14R2.1194 COc1cc2cc(C(=O)O)sc2o1 Amb18811949 [0,2,0,0,0,0|1,1,0]=4 1056 B14R2.1194 COc1cc2sc(C(=O)O)cc2s1 Amb18172377 [0,2,0,0,0,0|2,0,0]=4 1057 B14R2.1194 O=Cc1cc2sc(C(=O)O)cc2s1 Amb33495836 [0,2,0,0,0,0|2,0,0]=4 1058 B14R2.839 CCOC(=O)c1cc2ccnc2n1 Amb35825155 [0,2,0,0,0,0|1,0,1]=4 1059 B14R2.839 CCOC(=O)c1cc2ccsc2s1 Amb22490799 [0,2,0,0,0,0|1,0,0]=3 1060 B14R2.839 CCOC(=O)c1cn2ccsc2n1 Amb2723516 [0,2,0,0,0,0|1,0,1]=4 1061 B14R2.970 CNC(=O)c1cc2ccsc2n1C Amb27248371 [0,2,0,0,0,0|1,0,0]=3 1062 B14R2.970 CNC(=O)c1sc2sccc2c1Cl Amb27586169 [0,2,0,0,0,0|2,0,0]=4 1063 B14R2.970 COC(=O)c1cc2occc2n1C Amb4038124 [0,2,0,0,0,0|2,0,0]=4 1064 B14R2.970 COC(=O)c1cc2occc2n1N Amb27434424 [0,2,0,0,0,0|2,0,0]=4 1065 B14R2.970 COC(=O)c1cc2sccc2n1C Amb2723687 [0,2,0,0,0,0|2,0,0]=4 1066 B14R2.970 COC(=O)c1nc2sccn2c1Cl Amb32862966 [0,2,0,0,0,0|1,0,1]=4 1067 B14R2.970 COC(=O)c1nc2sccn2c1F Amb28317307 [0,2,0,0,0,0|1,0,1]=4 1068 B14R2.10637 COC(=O)c1cc2scc(Br)c2s1 Amb33299261 [0,2,0,0,0,0|2,0,0]=4 1069 B14R2.10637 COC(=O)c1cc2scc(Cl)c2s1 Amb2611770 [0,2,0,0,0,0|2,0,0]=4 1070 B14R2.4281 CCn1c(C(=O)O)cc2ccsc21 Amb23450796 [0,2,0,0,0,0|0,0,0]=2 1071 B14R2.4281 CCn1c(C(=O)O)cc2occc21 Amb7748849 [0,2,0,0,0,0|2,0,0]=4 1072 B14R2.4281 CCn1c(C(=O)O)cc2sccc21 Amb7656826 [0,2,0,0,0,0|2,0,0]=4 1073 B14R2.5617 Cn1c(C(=O)O)cn2c(Br)cnc12 Amb28040757 [0,2,0,0,0,0|2,0,0]=4 1074 B14R2.5617 Cn1ccc2c1cc(C(=O)O)n2C Amb19890427 [0,2,0,0,0,0|2,0,0]=4 1075 B14R2.5617 O=C(O)c1sc2c(Br)csc2c1I Amb27648914 [0,2,0,0,0,0|2,0,0]=4 1076 B14R2.5748 CC(=O)c1sc2scc(C)c2c1C Amb2749812 [0,2,0,0,0,0|2,0,0]=4 1077 B14R2.5748 Cc1csc2nc(C(=O)O)c(C)n12 Amb28121180 [0,2,0,0,0,0|1,0,1]=4 1078 B14R2.5748 Cc1csc2nc(C(=O)O)c(Cl)n12 Amb32862960 [0,2,0,0,0,0|1,0,1]=4 1079 B14R2.5748 Cn1c(C(=O)O)cc2scc(Cl)c21 Amb23447071 [0,2,0,0,0,0|2,0,0]=4 1080 B14R2.6000 Cc1c(C(=O)O)n(C)c2sccc12 Amb18189482 [0,2,0,0,0,0|0,0,0]=2 1081 B14R2.2327 CCc1csc2nc(C(=O)O)cn12 Amb26505356 [0,2,0,0,0,0|1,0,1]=4 1082 B14R2.2327 COc1nsc2oc(C(=O)O)cc12 Amb18187796 [0,2,0,0,0,0|2,0,0]=4 1083 B14R2.2327 O=Cc1csc2cc(C(=O)O)sc12 Amb18175697 [0,2,0,0,0,0|2,0,0]=4 1084 B12R2.100 Cc1cc2sccc2cc1N Amb18670834 [0,0,1,1,0,0|2,0,0]=4 1085 B12R2.100 Nc1cc2ccsc2cc1Br Amb27627138 [0,0,1,1,0,0|2,0,0]=4 1086 B12R2.100 Nc1cc2ccsc2cc1Cl Amb18664304 [0,0,1,1,0,0|2,0,0]=4 1087 B12R2.100 Nc1cc2ccsc2cc1F Amb18136644 [0,0,1,1,0,0|2,0,0]=4 1088 B12R2.100 O=C1Nc2ccsc2NC1=O Amb24184104 [0,0,1,1,0,0|2,0,0]=4 1089 B12R2.1362 CC(=O)c1cnc2sccn12 Amb18199620 [0,0,1,1,0,0|2,0,0]=4 1090 B12R2.1362 CC(=O)c1ncc2sccn12 Amb18199619 [0,0,1,1,0,0|2,0,0]=4 1091 B12R2.1362 O=C(O)c1ccc2sccn12 Amb18199524 [0,0,1,1,0,0|0,0,0]=2 1092 B12R2.1362 O=C(O)c1ccn2ccsc12 Amb26554928 [0,0,1,1,0,0|2,0,0]=4 1093 B12R2.1362 O=C(O)c1cnc2sccn12 Amb7173029 [0,0,1,1,0,0|1,0,0]=3 1094 B12R2.1362 O=C(O)c1csc2ccsc12 Amb25054511 [0,0,1,1,0,0|2,0,0]=4 1095 B12R2.1362 O=C(O)c1csc2nccn12 Amb18862747 [0,0,1,1,0,0|2,0,0]=4 1096 B12R2.1362 O=C(O)c1csc2nccn12 Amb33189327 [0,0,1,1,0,0|2,0,0]=4 1097 B12R2.1362 O=C(O)c1ncc2sccn12 Amb18826707 [0,0,1,1,0,0|1,0,0]=3 1098 B12R2.1362 O=C(O)c1nnc2sccn12 Amb17484332 [0,0,1,1,0,0|2,0,0]=4 1099 B12R2.1362 O=C(O)c1onc2ccsc12 Amb18199123 [0,0,1,1,0,0|2,0,0]=4 1100 B12R2.1362 O=C(O)c1scc2sccc12 Amb27467652 [0,0,1,1,0,0|2,0,0]=4 1101 B12R2.3190 O=C(O)C1=Cc2ccccc21 Amb17593654 [0,0,1,1,0,0|2,0,0]=4 1102 B10R1.23 C=C(C(=O)O)c1ccco1 Amb26317937 [0,0,1,0,1,0|0,1,0]=3 1103 B10R1.23 C=C(C(=O)O)c1cccs1 Amb17322162 [0,0,1,0,1,0|0,0,0]=2 1104 B10R1.23 C=C(C(=O)O)c1ccoc1 Amb28052846 [0,0,1,0,1,0|1,1,0]=4 1105 B10R1.23 C=C(C(=O)O)c1ccon1 Amb33197561 [0,0,1,0,1,0|2,0,0]=4 1106 B10R1.23 C=C(C(=O)O)c1ccsc1 Amb33428918 [0,0,1,0,1,0|1,0,0]=3 1107 B10R1.23 C=C(C(=O)O)c1cnco1 Amb33414803 [0,0,1,0,1,0|1,1,0]=4 1108 B10R1.23 C=C(C(=O)O)c1cncs1 Amb33269090 [0,0,1,0,1,0|1,0,0]=3 1109 B10R1.23 C=C(C(=O)O)c1cscn1 Amb33417853 [0,0,1,0,1,0|2,0,0]=4 1110 B10R1.23 C=C(C(=O)O)c1nccs1 Amb33372249 [0,0,1,0,1,0|1,0,0]=3 1111 B10R1.23 CC(=O)C(=O)c1cccs1 Amb17399955 [0,0,1,0,1,0|2,0,0]=4 1112 B10R1.23 CC(=O)C(=O)c1ccsc1 Amb27872018 [0,0,1,0,1,0|2,0,0]=4 1113 B10R1.23 CC(C(=O)O)c1cccs1 Amb10844027 [0,0,1,0,1,0|0,0,2]=4 1114 B10R1.23 CC(C(=O)O)c1ccsc1 Amb18284449 [0,0,1,0,1,0|1,0,1]=4 1115 B10R1.23 C[C@@H](C(=O)O)c1cccs1 Amb10844019 [0,0,1,0,1,0|0,0,2]=4 1116 B10R1.23 NC(=O)C(=O)c1cccs1 Amb28396525 [0,0,1,0,1,0|2,0,0]=4 1117 B10R1.23 NC(C(=O)O)c1cccs1 Amb1840251 [0,0,1,0,1,0|1,0,1]=4 1118 B10R1.23 NC(C(=O)O)c1ccsc1 Amb33549251 [0,0,1,0,1,0|0,0,1]=3 1119 B10R1.23 NC(C(=O)O)c1ccsc1 Amb9718858 [0,0,1,0,1,0|0,0,1]=3 1120 B10R1.23 NC(C(=O)O)c1cscn1 Amb18645003 [0,0,1,0,1,0|1,0,1]=4 1121 B10R1.23 NC(C(=O)O)c1cscn1 Amb35788158 [0,0,1,0,1,0|1,0,1]=4 1122 B10R1.23 N[C@@H](C(=O)O)c1cccs1 Amb22747193 [0,0,1,0,1,0|1,0,1]=4 1123 B10R1.23 N[C@@H](C(=O)O)c1ccsc1 Amb22750704 [0,0,1,0,1,0|0,0,1]=3 1124 B10R1.23 N[C@H](C(=O)O)c1cccs1 Amb2694806 [0,0,1,0,1,0|1,0,1]=4 1125 B10R1.23 N[C@H](C(=O)O)c1ccoc1 Amb27214171 [0,0,1,0,1,0|0,1,1]=4 1126 B10R1.23 N[C@H](C(=O)O)c1ccsc1 Amb16232233 [0,0,1,0,1,0|0,0,1]=3 1127 B10R1.23 O=C(O)C(=O)c1ccco1 Amb9786662 [0,0,1,0,1,0|1,1,0]=4 1128 B10R1.23 O=C(O)C(=O)c1cccs1 Amb3940404 [0,0,1,0,1,0|1,0,0]=3 1129 B10R1.23 O=C(O)C(=O)c1ccoc1 Amb2611500 [0,0,1,0,1,0|1,1,0]=4 1130 B10R1.23 O=C(O)C(=O)c1ccsc1 Amb18644784 [0,0,1,0,1,0|1,0,0]=3 1131 B10R1.23 O=C(O)C(=O)c1cncs1 Amb18830659 [0,0,1,0,1,0|2,0,0]=4 1132 B10R1.23 O=C(O)C(=O)c1cnsc1 Amb18644892 [0,0,1,0,1,0|2,0,0]=4 1133 B10R1.23 O=C(O)C(=O)c1cscn1 Amb18644891 [0,0,1,0,1,0|2,0,0]=4 1134 B10R1.23 O=C(O)C(Br)c1ccsc1 Amb27873590 [0,0,1,0,1,0|1,0,1]=4 1135 B10R1.23 O=C(O)C(Cl)c1cccs1 Amb17233234 [0,0,1,0,1,0|1,0,1]=4 1136 B10R1.23 O=C(O)C(Cl)c1ccsc1 Amb28138847 [0,0,1,0,1,0|1,0,1]=4 1137 B10R1.23 O=C(O)C(F)c1cccs1 Amb28193693 [0,0,1,0,1,0|1,0,1]=4 1138 B10R1.23 O=C(O)C(F)c1ccsc1 Amb27952222 [0,0,1,0,1,0|1,0,1]=4 1139 B10R1.23 O=C(O)C(O)c1cccs1 Amb17232241 [0,0,1,0,1,0|1,0,1]=4 1140 B10R1.23 O=C(O)C(O)c1ccsc1 Amb18952015 [0,0,1,0,1,0|1,0,1]=4 1141 B10R1.23 O=C(O)[C@H](O)c1cccs1 Amb27614848 [0,0,1,0,1,0|1,0,1]=4 1142 B10R1.23 O=C([O-])C(=O)c1cccs1 Amb16232244 [0,0,1,0,1,0|1,0,1]=4 1143 B10R1.23 O=C([O-])C(=O)c1ccsc1 Amb2611492 [0,0,1,0,1,0|1,0,1]=4 1144 B10R1.64 CC(=O)Nc1sccc1Br Amb9175394 [0,0,1,0,1,0|2,0,0]=4 1145 B10R1.64 CC(=O)Nc1sccc1Cl Amb23400211 [0,0,1,0,1,0|2,0,0]=4 1146 B10R1.64 CC(=O)Nc1sccc1I Amb23400212 [0,0,1,0,1,0|2,0,0]=4 1147 B10R1.64 Cc1ccsc1CC(=O)O Amb33530091 [0,0,1,0,1,0|0,0,2]=4 1148 B10R1.64 Cc1sccc1CC(=O)O Amb4141718 [0,0,1,0,1,0|1,0,1]=4 1149 B10R1.64 Nc1ccsc1CC(=O)O Amb22499925 [0,0,1,0,1,0|1,0,1]=4 1150 B10R1.64 Nc1sccc1CC(=O)O Amb18830628 [0,0,1,0,1,0|0,0,1]=3 1151 B10R1.64 O=C(O)Cc1ccsc1Br Amb18765498 [0,0,1,0,1,0|1,0,1]=4 1152 B10R1.64 O=C(O)Cc1ccsc1Cl Amb23504442 [0,0,1,0,1,0|1,0,1]=4 1153 B10R1.64 O=C(O)Cc1ccsc1F Amb27876676 [0,0,1,0,1,0|1,0,1]=4 1154 B10R1.64 O=C(O)Cc1sccc1Br Amb18283686 [0,0,1,0,1,0|1,0,1]=4 1155 B10R1.64 O=C(O)Cc1sccc1Cl Amb27160571 [0,0,1,0,1,0|1,0,1]=4 1156 B10R1.64 O=C(O)\C=C1\CC=CC1=O Amb27473425 [0,0,1,0,1,0|2,0,0]=4 1157 B10R1.348 CC(=O)C1=CC=CC=CN1 Amb25921212 [0,0,1,0,1,0|1,0,0]=3 1158 B10R1.348 CC(=O)C1=CCC=CC=C1 Amb27164696 [0,0,1,0,1,0|2,0,0]=4 1159 B10R1.348 O=C(Cl)C1=CC=CC=CC1 Amb25374042 [0,0,1,0,1,0|2,0,0]=4 1160 B10R1.348 O=C(O)C1=CC=CC=CC1 Amb27948020 [0,0,1,0,1,0|1,0,0]=3 1161 B10R1.348 O=C(O)C1=CC=CC=CO1 Amb27453492 [0,0,1,0,1,0|1,0,0]=3 1162 B10R1.348 O=C(O)C1=CC=CCC=C1 Amb27425007 [0,0,1,0,1,0|1,0,1]=4 1163 B10R1.348 O=C(O)C1=CCC=CC=C1 Amb28118852 [0,0,1,0,1,0|1,0,0]=3 1164 B10R1.348 O=C(O)C1=COC=CN=C1 Amb28126709 [0,0,1,0,1,0|1,1,0]=4 1165 B10R1.348 O=C(O)C1C=CC=CC=C1 Amb27461373 [0,0,1,0,1,0|1,0,1]=4 1166 B12R1.43 C=C(Cc1ccccc1)C(=O)O Amb8393733 [0,0,1,0,0,1|2,0,0]=4 1167 B12R1.43 C=C(Cc1cccnc1)C(=O)O Amb26636551 [0,0,1,0,0,1|2,0,0]=4 1168 B12R1.43 C=C(Cc1ccncc1)C(=O)O Amb27389258 [0,0,1,0,0,1|2,0,0]=4 1169 B12R1.43 C\C(=C/c1ccccc1)C(=O)O Amb8513246 [0,0,1,0,0,1|2,0,0]=4 1170 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb30584914 [0,0,1,0,0,1|2,0,0]=4 1171 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb33995393 [0,0,1,0,0,1|2,0,0]=4 1172 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb30584915 [0,0,1,0,0,1|2,0,0]=4 1173 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb5743927 [0,0,1,0,0,1|2,0,0]=4 1174 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb30584913 [0,0,1,0,0,1|2,0,0]=4 1175 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb5743928 [0,0,1,0,0,1|2,0,0]=4 1176 B12R1.43 C\C(=C/c1cncnc1)C(=O)O Amb27755121 [0,0,1,0,0,1|2,0,0]=4 1177 B12R1.43 C\C(=C\c1ccccc1)C(=O)O Amb24603461 [0,0,1,0,0,1|2,0,0]=4 1178 B12R1.43 C\C(=C\c1cccnc1)C(=O)O Amb27837141 [0,0,1,0,0,1|2,0,0]=4 1179 B12R1.43 C\C(=C\c1ccncc1)C(=O)O Amb27882270 [0,0,1,0,0,1|2,0,0]=4 1180 B12R1.43 C\C(=C\c1cnccn1)C(=O)O Amb27622051 [0,0,1,0,0,1|2,0,0]=4 1181 B12R1.43 N=C(Nc1ccccc1)C(=O)O Amb18645991 [0,0,1,0,0,1|2,0,0]=4 1182 B12R1.43 N\C(=C/c1ccccc1)C(=O)O Amb24081025 [0,0,1,0,0,1|1,0,0]=3 1183 B12R1.43 N\C(=C/c1ccncn1)C(=O)O Amb24390213 [0,0,1,0,0,1|1,0,0]=3 1184 B12R1.43 N\C(=C\c1ccccc1)C(=O)O Amb27148014 [0,0,1,0,0,1|1,0,0]=3 1185 B12R1.43 N\C(=C\c1ccccn1)C(=O)O Amb27770994 [0,0,1,0,0,1|1,0,0]=3 1186 B12R1.43 N\C(=C\c1cnccn1)C(=O)O Amb27624449 [0,0,1,0,0,1|1,0,0]=3 1187 B12R1.43 O=C(O)C(=O)Nc1ccccc1 Amb838962 [0,0,1,0,0,1|2,0,0]=4 1188 B12R1.43 O=C(O)C(=O)Nc1ccccn1 Amb9303802 [0,0,1,0,0,1|2,0,0]=4 1189 B12R1.43 O=C(O)C(=O)Nc1cccnc1 Amb9303807 [0,0,1,0,0,1|2,0,0]=4 1190 B12R1.43 O=C(O)C(=O)Nc1ccncc1 Amb9303811 [0,0,1,0,0,1|2,0,0]=4 1191 B12R1.43 O=C(O)C(=O)Nc1ncccn1 Amb9303944 [0,0,1,0,0,1|2,0,0]=4 1192 B12R1.43 O=C(O)C(=S)Nc1ccccc1 Amb10558556 [0,0,1,0,0,1|2,0,0]=4 1193 B12R1.43 O=C(O)\C(Br)=C\c1ccccc1 Amb2794045 [0,0,1,0,0,1|2,0,0]=4 1194 B12R1.43 O=C(O)\C(Cl)=C/c1ccccc1 Amb18648695 [0,0,1,0,0,1|2,0,0]=4 1195 B12R1.43 O=C(O)\C(Cl)=C\c1ccccc1 Amb19651416 [0,0,1,0,0,1|2,0,0]=4 1196 B12R1.43 O=C(O)\C(Cl)=C\c1cccnc1 Amb26448364 [0,0,1,0,0,1|2,0,0]=4 1197 B12R1.43 O=C(O)\C(F)=C\c1ccccc1 Amb24093652 [0,0,1,0,0,1|2,0,0]=4 1198 B12R1.43 O=C(O)\C(F)=C\c1ccccn1 Amb27977069 [0,0,1,0,0,1|2,0,0]=4 1199 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb17614474 [0,0,1,0,0,1|2,0,0]=4 1200 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb31339126 [0,0,1,0,0,1|2,0,0]=4 1201 B12R1.43 O=C(O)\C(F)=C\c1cnccn1 Amb35600945 [0,0,1,0,0,1|2,0,0]=4 1202 B12R1.43 O=C(O)\C(S)=C/c1ccccc1 Amb2550972 [0,0,1,0,0,1|2,0,0]=4 1203 B12R1.43 O=C(O)\C(S)=C\c1ccccc1 Amb1250109 [0,0,1,0,0,1|2,0,0]=4 1204 B12R1.43 O=C(O)\C(S)=C\c1ccccn1 Amb1761004 [0,0,1,0,0,1|2,0,0]=4 1205 B12R1.43 O=C(O)\C(S)=C\c1ccncc1 Amb1761003 [0,0,1,0,0,1|2,0,0]=4 1206 B12R1.260 C\C(=C\C(=O)O)Cc1cccs1 Amb35690531 [0,0,1,0,0,1|1,0,1]=4 1207 B12R1.260 C\C(=C\C(=O)O)Cc1ccsc1 Amb35690717 [0,0,1,0,0,1|1,0,1]=4 1208 B12R1.260 N[C@@H](CC(=O)O)Cc1ccsc1 Amb33726073 [0,0,1,0,0,1|0,0,2]=4 1209 B12R1.260 N[C@H](CC(=O)O)Cc1ccsc1 Amb24106405 [0,0,1,0,0,1|0,0,2]=4 1210 B12R1.260 O=C(O)CC(=O)Nc1nccs1 Amb7969633 [0,0,1,0,0,1|2,0,0]=4 1211 B12R1.264 C=C(CCc1ccsc1)C(=O)O Amb33321205 [0,0,1,0,0,1|1,0,1]=4 1212 B12R1.264 CC(NCc1cccs1)C(=O)O Amb9326923 [0,0,1,0,0,1|0,0,2]=4 1213 B12R1.264 NC(CCc1ccsc1)C(=O)O Amb32788699 [0,0,1,0,0,1|0,0,2]=4 1214 B12R1.264 N[C@@H](CCc1ccsc1)C(=O)O Amb33065931 [0,0,1,0,0,1|0,0,2]=4 1215 B12R1.264 N[C@H](CCc1ccsc1)C(=O)O Amb33036520 [0,0,1,0,0,1|0,0,2]=4 1216 B12R1.264 O=C(O)C(=O)CCc1ccsc1 Amb33322019 [0,0,1,0,0,1|1,0,1]=4 1217 B12R1.264 O=C(O)C(=O)NCc1ccco1 Amb9238897 [0,0,1,0,0,1|1,1,0]=4 1218 B12R1.264 O=C(O)C(=O)NCc1ccns1 Amb35730856 [0,0,1,0,0,1|2,0,0]=4 1219 B12R1.264 O=C(O)C(=O)NCc1ccsc1 Amb28067357 [0,0,1,0,0,1|1,0,1]=4 1220 B12R1.264 O=C(O)C(=O)NCc1cncs1 Amb25842941 [0,0,1,0,0,1|2,0,0]=4 1221 B12R1.264 O=C(O)C(=O)\C=C\c1cccs1 Amb445455 [0,0,1,0,0,1|2,0,0]=4 1222 B12R1.264 O=C(O)C(=O)\C=C\c1ccoc1 Amb26895597 [0,0,1,0,0,1|1,1,0]=4 1223 B12R1.264 O=C(O)C(=O)\C=C\c1cscn1 Amb28345502 [0,0,1,0,0,1|2,0,0]=4 1224 B12R1.11 C=Cc1cc(C(=O)O)cc(N)n1 Amb26630378 [0,0,1,0,0,1|2,0,0]=4 1225 B12R1.11 C=Cc1cc(C)nc(C(=O)O)c1 Amb25091715 [0,0,1,0,0,1|1,0,1]=4 1226 B12R1.11 C=Cc1cc(Cl)cc(C(=O)O)c1 Amb28186682 [0,0,1,0,0,1|2,0,0]=4 1227 B12R1.11 C=Cc1cc(N)nc(C(=O)O)c1 Amb25341436 [0,0,1,0,0,1|1,0,1]=4 1228 B12R1.48 C=Cc1ccc(C(=O)O)cc1F Amb28324455 [0,0,1,0,0,1|2,0,0]=4 1229 B12R1.48 C=Cc1ccc(C(=O)O)nc1C Amb25256001 [0,0,1,0,0,1|1,0,1]=4 1230 B12R1.48 C=Cc1ccc(C(=O)O)nc1O Amb26392551 [0,0,1,0,0,1|0,1,1]=4 1231 B12R1.48 C=Cc1cnc(C(=O)O)cc1C Amb28041412 [0,0,1,0,0,1|2,0,0]=4 1232 B12R1.48 C=Cc1cnc(C(=O)O)cc1O Amb26978258 [0,0,1,0,0,1|1,1,0]=4 1233 B12R1.48 C=Cc1ncc(C(=O)O)cc1N Amb25894845 [0,0,1,0,0,1|2,0,0]=4 1234 B12R1.48 C=Cc1ncc(C(=O)O)cc1O Amb27951023 [0,0,1,0,0,1|1,1,0]=4 1235 B12R1.56 C=Cc1cc(C(=O)O)cnc1C Amb25682330 [0,0,1,0,0,1|1,0,1]=4 1236 B12R1.56 C=Cc1cc(C(=O)O)cnc1N Amb26080722 [0,0,1,0,0,1|1,0,1]=4 1237 B12R1.56 C=Cc1cc(C(=O)O)cnc1O Amb24395190 [0,0,1,0,0,1|0,1,1]=4 1238 B12R1.56 C=Cc1cc(C(=O)O)ncc1C Amb27166675 [0,0,1,0,0,1|1,0,1]=4 1239 B12R1.125 CC(=O)\C=C\c1ccccc1N Amb25975457 [0,0,1,0,0,1|2,0,0]=4 1240 B12R1.125 Cc1ccccc1\C=C/C(=O)O Amb27871584 [0,0,1,0,0,1|2,0,0]=4 1241 B12R1.125 Cc1ccccc1\C=C\C(=O)O Amb6555165 [0,0,1,0,0,1|2,0,0]=4 1242 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb30584981 [0,0,1,0,0,1|2,0,0]=4 1243 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb32990226 [0,0,1,0,0,1|2,0,0]=4 1244 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb17844101 [0,0,1,0,0,1|2,0,0]=4 1245 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb32718732 [0,0,1,0,0,1|2,0,0]=4 1246 B12R1.125 Cc1cnccc1\C=C\C(=O)O Amb30584980 [0,0,1,0,0,1|2,0,0]=4 1247 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb28653059 [0,0,1,0,0,1|2,0,0]=4 1248 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb32662803 [0,0,1,0,0,1|2,0,0]=4 1249 B12R1.125 Cc1nccnc1\C=C\C(=O)O Amb35600937 [0,0,1,0,0,1|2,0,0]=4 1250 B12R1.125 Cc1ncncc1\C=C\C(=O)O Amb27193885 [0,0,1,0,0,1|2,0,0]=4 1251 B12R1.125 Cc1nnccc1\C=C\C(=O)O Amb33470115 [0,0,1,0,0,1|2,0,0]=4 1252 B12R1.125 NC(=O)\C=C\c1ccccc1N Amb28202728 [0,0,1,0,0,1|2,0,0]=4 1253 B12R1.125 NC(=O)\C=C\c1cnccc1N Amb27878871 [0,0,1,0,0,1|2,0,0]=4 1254 B12R1.125 Nc1ccccc1\C=C\C(=O)O Amb17777291 [0,0,1,0,0,1|1,0,0]=3 1255 B12R1.125 Nc1cnccc1\C=C\C(=O)O Amb4560900 [0,0,1,0,0,1|1,0,0]=3 1256 B12R1.125 Nc1ncccc1\C=C\C(=O)O Amb2697575 [0,0,1,0,0,1|1,0,0]=3 1257 B12R1.125 O=C(O)\C=C\C1=CN=CNC1=O Amb18646423 [0,0,1,0,0,1|2,0,0]=4 1258 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb33718813 [0,0,1,0,0,1|2,0,0]=4 1259 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb6664185 [0,0,1,0,0,1|2,0,0]=4 1260 B12R1.125 O=C(O)\C=C\c1ccccc1Cl Amb6336512 [0,0,1,0,0,1|2,0,0]=4 1261 B12R1.125 O=C(O)\C=C\c1ccccc1F Amb6545502 [0,0,1,0,0,1|2,0,0]=4 1262 B12R1.125 O=C(O)\C=C\c1ccccc1I Amb22584152 [0,0,1,0,0,1|2,0,0]=4 1263 B12R1.125 O=C(O)\C=C\c1ccccc1O Amb8513188 [0,0,1,0,0,1|2,0,0]=4 1264 B12R1.125 O=C(O)\C=C\c1cccnc1Br Amb33451204 [0,0,1,0,0,1|2,0,0]=4 1265 B12R1.125 O=C(O)\C=C\c1cccnc1F Amb33473819 [0,0,1,0,0,1|2,0,0]=4 1266 B12R1.125 O=C(O)\C=C\c1ccncc1Br Amb18659757 [0,0,1,0,0,1|2,0,0]=4 1267 B12R1.125 O=C(O)\C=C\c1ccncc1Cl Amb33261635 [0,0,1,0,0,1|2,0,0]=4 1268 B12R1.125 O=C(O)\C=C\c1ccncc1F Amb26946507 [0,0,1,0,0,1|2,0,0]=4 1269 B12R1.125 O=C(O)\C=C\c1cnccc1O Amb18646198 [0,0,1,0,0,1|2,0,0]=4 1270 B12R1.125 O=C(O)\C=C\c1ncccc1Br Amb25975550 [0,0,1,0,0,1|2,0,0]=4 1271 B12R1.125 O=C(O)\C=C\c1ncccc1Cl Amb26552463 [0,0,1,0,0,1|2,0,0]=4 1272 B12R1.125 O=C(O)\C=C\c1ncccc1F Amb32662908 [0,0,1,0,0,1|2,0,0]=4 1273 B12R1.130 Cc1ccsc1CNCC(=O)O Amb9202474 [0,0,1,0,0,1|0,0,2]=4 1274 B12R1.130 Cc1ccsc1\C=C\CC(=O)O Amb23441800 [0,0,1,0,0,1|1,0,1]=4 1275 B12R1.226 CC(=O)\C=C\c1cccc(N)c1 Amb23247751 [0,0,1,0,0,1|2,0,0]=4 1276 B12R1.226 Cc1cc(\C=C\C(=O)O)ccn1 Amb32953957 [0,0,1,0,0,1|2,0,0]=4 1277 B12R1.226 Cc1cccc(\C=C\C(=O)O)c1 Amb2720533 [0,0,1,0,0,1|2,0,0]=4 1278 B12R1.226 Cc1cccc(\C=C\C(=O)O)n1 Amb10669513 [0,0,1,0,0,1|2,0,0]=4 1279 B12R1.226 Cc1nccc(\C=C\C(=O)O)n1 Amb23592256 [0,0,1,0,0,1|2,0,0]=4 1280 B12R1.226 Nc1cccc(\C=C\C(=O)O)c1 Amb34916041 [0,0,1,0,0,1|1,0,0]=3 1281 B12R1.226 Nc1cncc(\C=C\C(=O)O)c1 Amb27840658 [0,0,1,0,0,1|2,0,0]=4 1282 B12R1.226 O=C(O)\C=C\C1=CC=CC(=O)N1 Amb25705720 [0,0,1,0,0,1|2,0,0]=4 1283 B12R1.226 O=C(O)\C=C\c1cccc(Br)c1 Amb1207365 [0,0,1,0,0,1|2,0,0]=4 1284 B12R1.226 O=C(O)\C=C\c1cccc(Br)n1 Amb33240785 [0,0,1,0,0,1|2,0,0]=4 1285 B12R1.226 O=C(O)\C=C\c1cccc(Cl)c1 Amb33513177 [0,0,1,0,0,1|2,0,0]=4 1286 B12R1.226 O=C(O)\C=C\c1cccc(F)c1 Amb1210956 [0,0,1,0,0,1|2,0,0]=4 1287 B12R1.226 O=C(O)\C=C\c1cccc(I)c1 Amb2236388 [0,0,1,0,0,1|2,0,0]=4 1288 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 Amb8513189 [0,0,1,0,0,1|2,0,0]=4 1289 B12R1.226 O=C(O)\C=C\c1ccnc(Br)c1 Amb19929893 [0,0,1,0,0,1|2,0,0]=4 1290 B12R1.226 O=C(O)\C=C\c1ccnc(Cl)c1 Amb20668239 [0,0,1,0,0,1|2,0,0]=4 1291 B12R1.226 O=C(O)\C=C\c1ccnc(O)c1 Amb24682988 [0,0,1,0,0,1|2,0,0]=4 1292 B12R1.113 C=CCc1ccc(C(=O)O)cc1 Amb2699207 [0,0,1,0,0,1|2,0,0]=4 1293 B12R1.113 C=CCc1ccc(C(=O)O)cn1 Amb25869912 [0,0,1,0,0,1|1,0,1]=4 1294 B12R1.113 C=COc1ccc(C(=O)O)cc1 Amb27659008 [0,0,1,0,0,1|1,1,0]=4 1295 B12R1.113 O=C(O)c1ccc(\C=C\Br)cc1 Amb33134836 [0,0,1,0,0,1|2,0,0]=4 1296 B12R1.279 C=CCc1cc(C(=O)O)ccn1 Amb28430580 [0,0,1,0,0,1|2,0,0]=4 1297 B12R1.279 C=CCc1cccc(C(=O)O)c1 Amb2699206 [0,0,1,0,0,1|2,0,0]=4 1298 B12R1.279 O=C(O)c1cccc(\C=C\Br)c1 Amb33134972 [0,0,1,0,0,1|2,0,0]=4 1299 B12R1.279 O=C(O)c1cccc(\C=C\Cl)c1 Amb27454836 [0,0,1,0,0,1|2,0,0]=4 1300 B12R2.32 O=CC1=Cc2ccccc2C1 Amb18644150 [1,0,0,0,0,1|2,0,0]=4 1301 B12R2.32 O=Cc1cc2ccccc2o1 Amb1156936 [1,0,0,0,0,1|2,0,0]=4 1302 B12R2.32 O=Cc1cc2ccccc2s1 Amb2447439 [1,0,0,0,0,1|2,0,0]=4 1303 B12R2.32 O=Cc1cc2cccnc2o1 Amb18202346 [1,0,0,0,0,1|2,0,0]=4 1304 B12R2.32 O=Cc1cc2cccnc2s1 Amb2723081 [1,0,0,0,0,1|2,0,0]=4 1305 B12R2.32 O=Cc1cc2ccncc2s1 Amb13890511 [1,0,0,0,0,1|2,0,0]=4 1306 B12R2.32 O=Cc1cc2cnccc2o1 Amb18124811 [1,0,0,0,0,1|2,0,0]=4 1307 B12R2.32 O=Cc1cc2cnccc2s1 Amb18139393 [1,0,0,0,0,1|2,0,0]=4 1308 B12R2.32 O=Cc1cc2cncnc2s1 Amb18828876 [1,0,0,0,0,1|2,0,0]=4 1309 B12R2.32 O=Cc1cc2ncccc2o1 Amb18124810 [1,0,0,0,0,1|2,0,0]=4 1310 B12R2.32 O=Cc1cc2ncccc2s1 Amb18126370 [1,0,0,0,0,1|2,0,0]=4 1311 B12R2.32 O=Cc1cc2nccnc2o1 Amb18831410 [1,0,0,0,0,1|2,0,0]=4 1312 B12R2.32 O=Cc1cc2nccnc2s1 Amb2723506 [1,0,0,0,0,1|2,0,0]=4 1313 B12R2.32 OC=C1C=C2C=CC=CC2=C1 Amb27947827 [1,0,0,0,0,1|2,0,0]=4 1314 B12R2.32 O\C=C1\C=C2C=CC=CC2=N1 Amb26342374 [1,0,0,0,0,1|1,0,1]=4 1315 B12R2.44 C=Cc1cnc2ccsc2c1 Amb27264328 [1,0,0,0,0,1|2,0,0]=4 1316 B12R2.44 O=Cc1cc2ccoc2cn1 Amb18831431 [1,0,0,0,0,1|0,1,1]=4 1317 B12R2.44 O=Cc1cc2ccsc2cn1 Amb18199797 [1,0,0,0,0,1|0,0,1]=3 1318 B12R2.44 O=Cc1ccc2c(c1)C=CC2 Amb24089076 [1,0,0,0,0,1|2,0,0]=4 1319 B12R2.44 O=Cc1ccc2ccoc2c1 Amb18831461 [1,0,0,0,0,1|1,1,0]=4 1320 B12R2.44 O=Cc1ccc2ccoc2n1 Amb18831432 [1,0,0,0,0,1|0,1,1]=4 1321 B12R2.44 O=Cc1ccc2ccsc2c1 Amb18126339 [1,0,0,0,0,1|1,0,0]=3 1322 B12R2.44 O=Cc1ccc2ccsc2n1 Amb18199793 [1,0,0,0,0,1|0,0,1]=3 1323 B12R2.44 O=Cc1ccc2cnsc2c1 Amb27953105 [1,0,0,0,0,1|2,0,0]=4 1324 B12R2.44 O=Cc1ccc2ncsc2c1 Amb18829272 [1,0,0,0,0,1|2,0,0]=4 1325 B12R2.44 O=Cc1ccc2occc2c1 Amb2723109 [1,0,0,0,0,1|1,1,0]=4 1326 B12R2.44 O=Cc1ccc2sccc2c1 Amb1995220 [1,0,0,0,0,1|1,0,0]=3 1327 B12R2.44 O=Cc1ccc2sccc2n1 Amb18829270 [1,0,0,0,0,1|2,0,0]=4 1328 B12R2.44 O=Cc1ccc2scnc2c1 Amb18199800 [1,0,0,0,0,1|2,0,0]=4 1329 B12R2.44 O=Cc1ccc2sncc2c1 Amb27827505 [1,0,0,0,0,1|2,0,0]=4 1330 B12R2.44 O=Cc1cnc2ccoc2c1 Amb13890159 [1,0,0,0,0,1|1,1,0]=4 1331 B12R2.44 O=Cc1cnc2ccsc2c1 Amb18645861 [1,0,0,0,0,1|1,0,0]=3 1332 B12R2.44 O=Cc1cnc2ncsc2c1 Amb18828875 [1,0,0,0,0,1|2,0,0]=4 1333 B12R2.44 O=Cc1cnc2occc2c1 Amb18202339 [1,0,0,0,0,1|0,1,1]=4 1334 B12R2.44 O=Cc1cnc2scnc2c1 Amb18199774 [1,0,0,0,0,1|1,0,1]=4 1335 B12R2.44 OCc1ccc2ccsc2c1 Amb22736729 [1,0,0,0,0,1|1,0,1]=4 1336 B12R2.44 OCc1ccc2sccc2c1 Amb1995227 [1,0,0,0,0,1|1,0,1]=4 1337 B12R2.44 OCc1cnc2sccc2c1 Amb25940445 [1,0,0,0,0,1|0,0,2]=4 1338 B12R2.44 ONc1ncc2ccsc2n1 Amb28207832 [1,0,0,0,0,1|1,0,1]=4 1339 B14R2.774 O=C(O)c1ccc2cccc2cc1 Amb28127627 [0,0,0,0,0,2|2,0,0]=4 1340 B14R2.781 O=C(O)C1=CCc2ccccc2O1 Amb27666943 [0,0,0,0,0,2|2,0,0]=4 1341 B14R2.781 O=C(O)C1=CNc2ccccc2O1 Amb28343193 [0,0,0,0,0,2|2,0,0]=4 1342 B14R2.781 O=C(O)C1=COc2ccccc2C1 Amb27221946 [0,0,0,0,0,2|2,0,0]=4 1343 B14R2.781 O=C(O)C1=COc2ccccc2O1 Amb18128045 [0,0,0,0,0,2|2,0,0]=4 1344 B14R2.781 O=C(O)C1=COc2ncccc2C1 Amb27475731 [0,0,0,0,0,2|2,0,0]=4 1345 B14R2.781 O=C(O)C1=CSc2ccccc2N1 Amb27179145 [0,0,0,0,0,2|1,0,0]=3 1346 B14R2.781 O=C(O)C1=Cc2ccccc2CO1 Amb27232943 [0,0,0,0,0,2|2,0,0]=4 1347 B14R2.781 O=C(O)C1=Cc2ccccc2OC1 Amb1215611 [0,0,0,0,0,2|2,0,0]=4 1348 B14R2.781 O=C(O)C1=Cc2ccccc2SN1 Amb22228836 [0,0,0,0,0,2|1,0,0]=3 1349 B14R2.781 O=C(O)C1=NNc2ccccc2S1 Amb18130074 [0,0,0,0,0,2|2,0,0]=4 1350 B14R2.781 O=C(O)c1cc2ccccc2cn1 Amb2720149 [0,0,0,0,0,2|1,0,1]=4 1351 B14R2.781 O=C(O)c1cc2ccccc2cn1 Amb3940183 [0,0,0,0,0,2|1,0,1]=4 1352 B14R2.781 O=C(O)c1cc2ccccc2nn1 Amb530406 [0,0,0,0,0,2|1,0,1]=4 1353 B14R2.781 O=C(O)c1cc2cccnc2cn1 Amb18197838 [0,0,0,0,0,2|1,0,1]=4 1354 B14R2.781 O=C(O)c1cc2ccncc2cn1 Amb18197836 [0,0,0,0,0,2|1,0,1]=4 1355 B14R2.781 O=C(O)c1cc2ccnnc2cn1 Amb18197500 [0,0,0,0,0,2|1,0,1]=4 1356 B14R2.781 O=C(O)c1cc2cnccc2cn1 Amb18197811 [0,0,0,0,0,2|1,0,1]=4 1357 B14R2.781 O=C(O)c1cc2nnccc2cn1 Amb18197501 [0,0,0,0,0,2|2,0,0]=4 1358 B14R2.781 O=C(O)c1ccc2c(c1)C=CCC2 Amb26847796 [0,0,0,0,0,2|2,0,0]=4 1359 B14R2.781 O=C(O)c1ccc2c(c1)CCC=C2 Amb26304214 [0,0,0,0,0,2|2,0,0]=4 1360 B14R2.781 O=C(O)c1ccc2ccccc2c1 Amb17678851 [0,0,0,0,0,2|2,0,0]=4 1361 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb1233401 [0,0,0,0,0,2|1,0,1]=4 1362 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb21858747 [0,0,0,0,0,2|1,0,1]=4 1363 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb33513278 [0,0,0,0,0,2|1,0,1]=4 1364 B14R2.781 O=C(O)c1ccc2cccnc2c1 Amb2548374 [0,0,0,0,0,2|2,0,0]=4 1365 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2567493 [0,0,0,0,0,2|1,0,1]=4 1366 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2691468 [0,0,0,0,0,2|1,0,1]=4 1367 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb34202999 [0,0,0,0,0,2|1,0,1]=4 1368 B14R2.781 O=C(O)c1ccc2ccncc2c1 Amb8009842 [0,0,0,0,0,2|2,0,0]=4 1369 B14R2.781 O=C(O)c1ccc2ccncc2n1 Amb21962775 [0,0,0,0,0,2|1,0,1]=4 1370 B14R2.781 O=C(O)c1ccc2cnccc2c1 Amb33542741 [0,0,0,0,0,2|2,0,0]=4 1371 B14R2.781 O=C(O)c1ccc2cnccc2n1 Amb2691469 [0,0,0,0,0,2|1,0,1]=4 1372 B14R2.781 O=C(O)c1ccc2cncnc2c1 Amb23439150 [0,0,0,0,0,2|2,0,0]=4 1373 B14R2.781 O=C(O)c1ccc2cncnc2n1 Amb18197502 [0,0,0,0,0,2|1,0,1]=4 1374 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb10553803 [0,0,0,0,0,2|2,0,0]=4 1375 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb6335229 [0,0,0,0,0,2|2,0,0]=4 1376 B14R2.781 O=C(O)c1ccc2ncccc2n1 Amb5627449 [0,0,0,0,0,2|1,0,1]=4 1377 B14R2.781 O=C(O)c1ccc2nccnc2c1 Amb1209684 [0,0,0,0,0,2|2,0,0]=4 1378 B14R2.781 O=C(O)c1ccc2nccnc2n1 Amb2795876 [0,0,0,0,0,2|1,0,1]=4 1379 B14R2.781 O=C(O)c1ccc2ncncc2c1 Amb10604067 [0,0,0,0,0,2|2,0,0]=4 1380 B14R2.781 O=C(O)c1ccc2nnccc2c1 Amb25368925 [0,0,0,0,0,2|2,0,0]=4 1381 B14R2.781 O=C(O)c1cnc2ccccc2c1 Amb1995107 [0,0,0,0,0,2|1,0,1]=4 1382 B14R2.781 O=C(O)c1cnc2ccccc2n1 Amb6355834 [0,0,0,0,0,2|1,0,1]=4 1383 B14R2.781 O=C(O)c1cnc2cccnc2c1 Amb9174242 [0,0,0,0,0,2|1,0,1]=4 1384 B14R2.781 O=C(O)c1cnc2ccncc2c1 Amb9701811 [0,0,0,0,0,2|1,0,1]=4 1385 B14R2.781 O=C(O)c1cnc2cnccc2c1 Amb20248674 [0,0,0,0,0,2|1,0,1]=4 1386 B14R2.781 O=C(O)c1cnc2cnccc2n1 Amb27813441 [0,0,0,0,0,2|1,0,1]=4 1387 B14R2.781 O=C(O)c1cnc2cncnc2n1 Amb27837159 [0,0,0,0,0,2|1,0,1]=4 1388 B14R2.781 O=C(O)c1cnc2ncccc2c1 Amb2795317 [0,0,0,0,0,2|1,0,1]=4 1389 B14R2.781 O=C(O)c1cnc2ncccc2n1 Amb10071424 [0,0,0,0,0,2|1,0,1]=4 1390 B14R2.781 O=C(O)c1cnc2nccnc2c1 Amb2795885 [0,0,0,0,0,2|1,0,1]=4 1391 B14R2.781 O=C(O)c1ncc2ccccc2n1 Amb10241300 [0,0,0,0,0,2|1,0,1]=4 1392 B14R2.781 O=C(O)c1ncc2ccccc2n1 Amb9854893 [0,0,0,0,0,2|1,0,1]=4 1393 B14R2.781 O=C(O)c1ncc2ccncc2n1 Amb27969520 [0,0,0,0,0,2|1,0,1]=4 1394 B14R2.781 O=C(O)c1ncc2cnccc2n1 Amb28058636 [0,0,0,0,0,2|1,0,1]=4 1395 B14R2.1008 CC(=O)Oc1ccc2sccc2c1 Amb28410654 [0,0,0,0,0,2|2,0,0]=4 1396 B14R2.1008 O=C(Cl)Nc1ccc2sccc2c1 Amb35625729 [0,0,0,0,0,2|2,0,0]=4 1397 B14R2.1008 O=C(O)Cc1ccc2ccoc2c1 Amb18197053 [0,0,0,0,0,2|1,1,0]=4 1398 B14R2.1008 O=C(O)Cc1ccc2ccoc2n1 Amb18196432 [0,0,0,0,0,2|0,1,1]=4 1399 B14R2.1008 O=C(O)Cc1ccc2ccsc2n1 Amb18190322 [0,0,0,0,0,2|0,0,1]=3 1400 B14R2.1008 O=C(O)Cc1ccc2ncsc2c1 Amb17107991 [0,0,0,0,0,2|2,0,0]=4 1401 B14R2.1008 O=C(O)Cc1ccc2occc2c1 Amb18197066 [0,0,0,0,0,2|1,1,0]=4 1402 B14R2.1008 O=C(O)Cc1ccc2sccc2c1 Amb27179279 [0,0,0,0,0,2|1,0,0]=3 1403 B14R2.1008 O=C(O)Cc1ccc2sccc2n1 Amb26511623 [0,0,0,0,0,2|2,0,0]=4 1404 B14R2.1008 O=C(O)Cc1ccc2scnc2c1 Amb18244026 [0,0,0,0,0,2|2,0,0]=4 1405 B14R2.1008 O=C(O)Cc1cnc2ccsc2c1 Amb24330809 [0,0,0,0,0,2|1,0,0]=3 1406 B14R2.1008 O=C(O)Cc1cnc2ncsc2c1 Amb18815169 [0,0,0,0,0,2|2,0,0]=4 1407 B14R2.1008 O=C(O)Cc1cnc2sccc2c1 Amb27478074 [0,0,0,0,0,2|0,0,1]=3 1408 B14R2.1008 O=C(O)Cc1ncc2ccoc2n1 Amb18195729 [0,0,0,0,0,2|0,1,1]=4 1409 B14R2.1008 O=C(O)Cc1ncc2ccsc2n1 Amb18190005 [0,0,0,0,0,2|0,0,1]=3 1410 B14R2.1008 O=C(O)Cc1ncc2sccc2n1 Amb18190003 [0,0,0,0,0,2|1,0,1]=4 1411 B14R2.9422 O=C(O)C1=Cc2ccoc2C=NO1 Amb22898843 [0,0,0,0,0,2|0,1,1]=4 1412 B14R2.768 O=C(O)Cc1cc2ccccc2o1 Amb2371823 [0,0,0,0,0,2|2,0,0]=4 1413 B14R2.768 O=C(O)Cc1cc2ccccc2s1 Amb18651226 [0,0,0,0,0,2|2,0,0]=4 1414 B14R2.768 O=C(O)Cc1cc2cccnc2s1 Amb18190325 [0,0,0,0,0,2|2,0,0]=4 1415 B14R2.768 O=C(O)Cc1cc2ccncc2o1 Amb18196457 [0,0,0,0,0,2|2,0,0]=4 1416 B14R2.768 O=C(O)Cc1cc2cnccc2s1 Amb18190323 [0,0,0,0,0,2|2,0,0]=4 1417 B14R2.768 O=C(O)Cc1cc2cncnc2s1 Amb18815170 [0,0,0,0,0,2|2,0,0]=4 1418 B14R2.31338 O=C(O)c1cc2cccccc2c1 Amb27805834 [0,0,0,0,0,2|2,0,0]=4 1419 B14R2.770 O=C(O)C#Cc1cc2sccc2s1 Amb28364339 [0,0,0,0,0,2|2,0,0]=4 1420 B14R2.770 O=C(O)CCc1cc2sccc2s1 Amb33470135 [0,0,0,0,0,2|2,0,0]=4 1421 B14R2.770 O=C(O)CCc1cn2ccsc2n1 Amb19958489 [0,0,0,0,0,2|1,0,1]=4 1422 B14R2.770 O=C(O)CCc1cn2ccsc2n1 Amb8010022 [0,0,0,0,0,2|1,0,1]=4 1423 B14R2.770 O=C(O)CCc1nc2ccsc2o1 Amb18188527 [0,0,0,0,0,2|2,0,0]=4 1424 B14R2.770 O=C(O)\C=C\c1cc2sccc2s1 Amb33470021 [0,0,0,0,0,2|2,0,0]=4