0 B8R0.28 CC(=NOCC(=O)O)C AB13789 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 CC(=O)O[Pd]OC(=O)C AB01097 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.28 CN(C)\C=C\C=[N+](C)C AB52496 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.53 CN(C)\C=C(\C=[N+](C)C)/Cl AB45632 [0,1,0,0,0,0|3,0,0]=4 4 B9R0.53 CN(C)\C=C(\C=[N+](C)C)/F AB68588 [0,1,0,0,0,0|3,0,0]=4 5 B9R0.53 C\C(=C/N(C)C)\C=[N+](C)C AB68457 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.35 CC(=O)C1=NC=C(C1)Cl AB52884 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.35 CC(=O)c1cnc(o1)N AB54806 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 CC(=O)c1cnc(s1)Br AB69536 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 CC(=O)c1cnc(s1)N AB07075 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CC(=O)c1coc(n1)Cl AB77007 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 CC(=O)c1nc(cs1)Br AB59795 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 CC(=O)c1ncc(s1)Br PB19039 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 CC(=O)c1ncc(s1)Cl PB35653 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 CC1=NN=C(C1)C(=O)O PB13019 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.35 Cc1[nH]cc(n1)C(C)C AB24901 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.35 c1cc(sc1C(=O)Cl)Cl AB01959 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,0,0,1,0,0|3,0,0]=4 42 B7R0.6 C(=C/C(=O)[O-])/C(=O)[O-] MB00769 [0,0,0,0,1,0|3,0,0]=4 43 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,0,0,0,1,0|2,0,1]=4 44 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,0,0,0,1,0|1,0,0]=2 45 B7R0.6 CN(C)\C=C\[N+](=O)[O-] AB02125 [0,0,0,0,1,0|3,0,0]=4 46 B6R0.4 CC(=O)\C=C\OC AB00959 [2,0,0,0,0,0|1,0,0]=3 47 B8R0.5 C\C(=C/OC)\C=[N+](C)C AB72235 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.7 CCO\C=C\C=[N+](C)C AB72038 [1,1,0,0,0,0|1,0,1]=4 49 B8R1.1 CC1=CN=C(C1)C=O AB43814 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.1 CC1=NC(=CC1)C=O AB43978 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.1 CC1=NN=C(C1)C=O AB49641 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.1 Cc1ccc(s1)C=O AB00417 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.1 Cc1cnc(s1)C=O AB43202 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.1 Cc1coc(n1)C=O PB28183 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.1 Cc1csc(n1)C=O PB14084 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.1 Cc1nc(co1)C=O AB13940 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.1 Cc1nc(cs1)C=O AB25415 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.1 Cc1ncc(o1)C=O AB27658 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.1 Cc1ncc(s1)C=O CB11336 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.1 Cn1ccc(n1)C=O AB14508 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.1 c1cc(sc1C=O)Br PB32069 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.1 c1cc(sc1C=O)Cl PB17085 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.4 Cc1cccc(n1)Br AB01812 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 Cc1cccc(n1)F AB01860 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.4 Cc1cccc(n1)N AB00717 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.4 Cc1cccc(n1)O AB00679 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.4 Cc1cccc(n1)S AB25230 [1,0,0,1,0,0|1,1,0]=4 72 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.7 CC(=O)c1cocn1 AB73503 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.7 CC(=O)c1ncco1 AB42105 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [0,0,0,1,1,0|2,0,0]=4 77 B10R1.54 Cc1ncc(o1)CC(=O)C AB44093 [0,0,0,1,0,1|1,0,1]=4 78 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,0,0,1,0,1|1,0,1]=4 79 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,0,0,1,0,1|1,0,1]=4 80 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,0,0,1,0,1|1,0,1]=4 81 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,0,0,1,0,1|1,0,1]=4 82 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,0,0,1,0,1|1,0,1]=4 83 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,0,0,1,0,1|1,0,1]=4 84 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,0,0,1,0,1|1,0,1]=4 85 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,0,0,1,0,1|2,0,0]=4 86 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,0,0,1,0,1|2,0,0]=4 87 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,0,0,1,0,1|2,0,0]=4 88 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,0,0,1,0,1|2,0,0]=4 89 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,0,0,1,0,1|1,0,1]=4 90 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,0,0,1,0,1|1,0,1]=4 91 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,0,0,1,0,1|1,0,1]=4 92 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,0,0,1,0,1|1,0,1]=4 93 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [0,0,0,1,0,1|2,0,0]=4 94 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [0,0,0,1,0,1|2,0,0]=4 95 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,0,0,1,0,1|0,0,1]=3 96 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,0,0,1,0,1|1,0,1]=4 97 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,0,0,1,0,1|1,0,1]=4 98 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,0,0,1,0,1|1,0,1]=4 99 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [0,0,0,1,0,1|1,0,1]=4 100 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,0,0,1,0,1|1,0,0]=3 101 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,0,0,1,0,1|2,0,0]=4 102 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,0,0,1,0,1|0,0,1]=3 103 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,0,0,1,0,1|1,0,1]=4 104 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,0,0,1,0,1|2,0,0]=4 105 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,0,0,1,0,1|2,0,0]=4 106 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [0,0,0,1,0,1|1,0,0]=3 107 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,1,0,1,0,0|0,0,1]=3 119 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,1,0,1,0,0|0,0,1]=3 122 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [0,1,0,1,0,0|1,0,0]=3 124 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.14 COC(=O)C1=NC=C(C1)Br PB29127 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.14 COC(=O)c1ccc(s1)Br PB24794 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.14 COC(=O)c1ccc(s1)Cl MB03690 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,1,0,1,0,0|1,0,0]=3 130 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.14 Cc1nc(co1)C(=O)OC AB13936 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.14 c1cc(oc1C(=O)CBr)Br AB42923 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.31 CC(=O)c1nc(co1)CCl AB77016 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.194 Cc1cnc(n1C)C(=O)O AB70178 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.194 Cc1ncc(n1C)C(=O)C AB45828 [0,1,0,1,0,0|1,0,0]=3