0 B10R1.66 c1cc(sc1)\C=C\[N+](=O)[O-] PB13001 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.66 c1cscc1\C=C\C(=O)Cl AB16567 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.75 Cc1cnc(o1)COC(=O)C AB63620 [0,1,0,0,0,0|2,0,1]=4 3 B11R1.77 c1cc(oc1)C(CC(=O)O)N AB07979 [0,1,0,0,0,0|1,0,2]=4 4 B11R1.77 c1cc(oc1)[C@@H](CC(=O)O)N AB20746 [0,1,0,0,0,0|1,0,2]=4 5 B11R1.77 c1cc(oc1)[C@H](CC(=O)O)N AB20743 [0,1,0,0,0,0|1,0,2]=4 6 B11R2.36 CC1=CC2C=CN=C2C=C1 PB24528 [0,0,0,1,0,0|2,0,1]=4 7 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [0,0,0,1,0,0|3,0,0]=4 8 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,0,0,1,0,0|1,0,0]=2 9 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.36 Cc1ccc2c(n1)N=CC2 AB26035 [0,0,0,1,0,0|3,0,0]=4 11 B11R2.36 Cc1ccn2c(n1)ccn2 AB63891 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.36 c1c2c(on1)CCC(=O)C2 AB69364 [0,0,0,1,0,0|1,0,2]=4 13 B11R2.36 c1cc(nc2c1scc2)Cl PB25245 [0,0,0,1,0,0|2,1,0]=4 14 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [0,0,0,1,0,0|2,0,1]=4 15 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [0,0,0,1,0,0|2,0,1]=4 16 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [0,0,0,1,0,0|2,0,1]=4 17 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [0,0,0,1,0,0|2,0,1]=4 19 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,0,0,1,0,0|1,0,2]=4 20 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [0,0,0,1,0,0|1,0,1]=3 21 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,0,0,1,0,0|1,0,1]=3 22 B11R2.36 c1cc2c(cco2)cc1F AB43937 [0,0,0,1,0,0|1,0,1]=3 23 B11R2.36 c1cc2c(cco2)cc1N AB20798 [0,0,0,1,0,0|1,0,1]=3 24 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,0,0,1,0,0|0,0,2]=3 25 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [0,0,0,1,0,0|1,1,1]=4 26 B11R2.36 c1cnn2c1[nH]c(=O)cc2 PB28532 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.36 c1coc2c1cc(cn2)N PB28491 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.13 CC(=O)Nc1ccsc1 AB04169 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [0,0,0,0,1,0|1,1,1]=4 30 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,1|2,0,1]=4 31 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,1|1,0,0]=2 32 B8R1.8 c1cc(oc1)N=C=O AB53758 [2,0,0,0,0,0|1,0,1]=4 33 B8R1.8 c1coc(n1)CC=O AB57661 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.23 c1cc(oc1)C(C(=O)O)N AB01510 [0,1,0,0,1,0|1,0,1]=4 35 B10R1.23 c1cc(oc1)[C@@H](C(=O)O)N AB14778 [0,1,0,0,1,0|1,0,1]=4 36 B10R1.23 c1cc(oc1)[C@H](C(=O)O)N AB14775 [0,1,0,0,1,0|1,0,1]=4 37 B10R1.54 Cc1ncc(o1)CC(=O)C AB44093 [0,1,0,0,1,0|1,0,1]=4 38 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.54 CN(C)\C=C\C(=O)c1ccco1 AB03498 [0,1,0,0,0,1|2,0,0]=4 43 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,1,1,0,0|1,0,1]=4 44 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,1,1,0,0|1,0,1]=4 45 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,1,1,0,0|1,0,1]=4 46 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,0,1,1,0,0|2,0,0]=4 47 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,0,1,1,0,0|2,0,0]=4 48 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,0,1,1,0,0|2,0,0]=4 49 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,0,1,1,0,0|2,0,0]=4 50 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,0,1,1,0,0|2,0,0]=4 51 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,0,1,1,0,0|2,0,0]=4 52 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,0,1,1,0,0|2,0,0]=4 54 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,0,1,1,0,0|2,0,0]=4 55 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,0,1,1,0,0|2,0,0]=4 56 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,0,1,1,0,0|2,0,0]=4 57 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,0,1,1,0,0|2,0,0]=4 58 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,0,1,1,0,0|2,0,0]=4 59 B10R1.61 CN(C)c1ccccc1O MB08302 [0,0,1,1,0,0|2,0,0]=4 60 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,0,1,1,0,0|2,0,0]=4 61 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,0,1,1,0,0|2,0,0]=4 62 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,0,1,1,0,0|2,0,0]=4 63 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,0,1,1,0,0|2,0,0]=4 64 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,0,1,1,0,0|2,0,0]=4 65 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,0,1,1,0,0|2,0,0]=4 66 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,0,1,1,0,0|2,0,0]=4 67 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,0,1,1,0,0|2,0,0]=4 68 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,0,1,1,0,0|2,0,0]=4 69 B10R1.30 Cc1ccc(c(n1)C=O)O AB62933 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,0,1,1,0,0|2,0,0]=4 71 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,0,1,1,0,0|2,0,0]=4 72 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,0,1,1,0,0|2,0,0]=4 73 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,0,1,1,0,0|1,0,0]=3 74 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,0,1,1,0,0|2,0,0]=4 75 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,0,1,1,0,0|2,0,0]=4 76 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,0,1,1,0,0|2,0,0]=4 77 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,0,1,1,0,0|2,0,0]=4 79 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,0,1,1,0,0|2,0,0]=4 80 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,0,1,1,0,0|2,0,0]=4 81 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,0,1,1,0,0|1,0,1]=4 86 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,0,1,1,0,0|1,0,1]=4 87 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,0,1,1,0,0|2,0,0]=4 92 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,0,1,1,0,0|2,0,0]=4 93 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,0,1,1,0,0|1,0,0]=3 94 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,0,1,1,0,0|2,0,0]=4 95 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,0,1,1,0,0|2,0,0]=4 96 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,0,1,1,0,0|2,0,0]=4 97 B10R2.7 c1cc2c(cco2)nc1 PB26741 [1,0,0,1,0,0|1,0,0]=3 98 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [1,0,0,1,0,0|1,1,0]=4 99 B10R2.7 c1ccn2cccc2c1 AB01491 [1,0,0,1,0,0|1,0,1]=4 100 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [0,0,0,1,0,1|2,0,0]=4 101 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [0,0,0,1,0,1|2,0,0]=4 102 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [0,0,0,1,0,1|1,0,1]=4 103 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [0,0,0,1,0,1|2,0,0]=4 104 B12R2.44 c1cc2c(cc1C=O)cno2 AB70274 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.44 c1cc2c(cco2)cc1C#N MB03560 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,1,0,1,0,0|0,0,1]=3 107 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [0,1,0,1,0,0|1,0,0]=3 108 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [0,1,0,1,0,0|0,1,1]=4 109 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,1,0,0|1,0,1]=4 110 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.606 Cc1ccc2c(c1)nc(o2)Cl AB43172 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.606 Cc1ccc2c(c1)nc(o2)N AB09696 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.606 Cc1ccc2c(c1)nc(o2)S AB45304 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.246 Cc1cc(cc2c1occ2)Br MB10399 [0,1,0,1,0,0|1,0,1]=4 116 B12R2.246 Cc1cc2ccoc2c(c1)Br MB10395 [0,1,0,1,0,0|1,0,0]=3 117 B12R2.246 c1coc2c1cc(cc2Br)Br MB10026 [0,1,0,1,0,0|1,0,1]=4 118 B12R2.246 c1coc2c1cc(cc2Br)Cl MB06992 [0,1,0,1,0,0|1,0,1]=4 119 B12R2.246 c1coc2c1cc(cc2Br)F MB06968 [0,1,0,1,0,0|1,0,1]=4 120 B12R2.246 c1coc2c1cc(cc2Br)O MB10400 [0,1,0,1,0,0|0,0,2]=4 121 B12R2.246 c1coc2c1cc(cc2Cl)Br MB10408 [0,1,0,1,0,0|1,0,1]=4 122 B12R2.246 c1coc2c1cc(cc2F)Br MB06987 [0,1,0,1,0,0|1,0,1]=4 123 B12R2.246 c1coc2c1cc(cc2N)Br MB10410 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.246 c1coc2c1cc(cc2O)F AB31653 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,0,0,0,2,0|2,0,0]=4 126 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,0,0,0,2,0|2,0,0]=4 127 B8R1.7 CC(=O)c1cocn1 AB73503 [0,0,0,0,2,0|2,0,0]=4 128 B8R1.7 CC(=O)c1ncco1 AB42105 [0,0,0,0,2,0|1,0,0]=3 129 B8R1.7 c1c(ocn1)C(=O)N AB19298 [0,0,0,0,2,0|2,0,0]=4 130 B8R1.7 c1c(ocn1)C(=O)O AB19293 [0,0,0,0,2,0|2,0,0]=4 131 B8R1.7 c1cc(oc1)C(=N)N AB07706 [0,0,0,0,2,0|2,0,0]=4 132 B8R1.7 c1coc(n1)C(=O)N AB19289 [0,0,0,0,2,0|2,0,0]=4 133 B8R1.7 c1coc(n1)C(=O)O AB19305 [0,0,0,0,2,0|2,0,0]=4