0 B8R1.7 B(c1ccc[nH]1)(O)O TS07976 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 B(c1ccc[se]1)(O)O TS45885 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.7 B(c1ccco1)(O)O TS94317 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.7 C1C(=NC=N1)C(=O)O TS04278 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 C1C=CC(N1)C(=O)O TS39629 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.7 C1C=CCC1C(=O)O TS16735 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.7 C1C=C[C@H](N1)C(=O)N TS40706 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.7 C1COC=C1C(=O)O TS32035 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 CC(=C)c1nccs1 TS05103 [0,0,0,0,0,0|2,1,0]=3 11 B8R1.7 CC(=O)C1=CCCC1 TS31835 [0,0,0,0,0,0|1,0,2]=3 12 B8R1.7 CC(=O)C1=NCCS1 TS05468 [0,0,0,0,0,0|1,1,2]=4 13 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [0,0,0,0,0,0|1,0,1]=2 14 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.7 CC(=O)c1ccco1 TS04188 [0,0,0,0,0,0|0,0,0]=0 19 B8R1.7 CC(=O)c1cccs1 TS08262 [0,0,0,0,0,0|0,1,0]=1 20 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.7 CC(=O)c1ccns1 TS05261 [0,0,0,0,0,0|1,1,0]=2 22 B8R1.7 CC(=O)c1ccsc1 TS65833 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.7 CC(=O)c1cncs1 TS46736 [0,0,0,0,0,0|1,1,0]=2 24 B8R1.7 CC(=O)c1cnns1 TS05327 [0,0,0,0,0,0|2,1,0]=3 25 B8R1.7 CC(=O)c1nccs1 TS08261 [0,0,0,0,0,0|1,1,0]=2 26 B8R1.7 CC(=O)n1cccn1 TS04194 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.7 CC(=O)n1ccnc1 TS93594 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.7 CC(C)C1=CC=CC1 TS04141 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.7 CC(C)C1C=CC=C1 TS31786 [0,0,0,0,0,0|2,0,2]=4 30 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.7 CC(C)n1cccn1 TS04211 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.7 CC(c1ccco1)N TS04253 [0,0,0,0,0,0|1,0,1]=2 34 B8R1.7 CC(c1ccco1)O TS31898 [0,0,0,0,0,0|0,0,2]=2 35 B8R1.7 CC(c1ccoc1)N TS31874 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.7 CC(c1cscn1)N TS77127 [0,0,0,0,0,0|3,0,1]=4 37 B8R1.7 CN(C)c1cccs1 TS36249 [0,0,0,0,0,0|2,1,0]=3 38 B8R1.7 C[C@@H](c1cccs1)O TS05368 [0,0,0,0,0,0|0,1,2]=3 39 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,0,0,0,0,0|0,0,2]=2 40 B8R1.7 C[C@H](c1cccs1)O TS08060 [0,0,0,0,0,0|0,1,2]=3 41 B8R1.7 c1[nH]nc(n1)C(=O)N TS04279 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.7 c1[nH]nc(n1)C(=O)O TS46767 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.7 c1c(con1)C(=O)O TS56204 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.7 c1c(nc[nH]1)C(=S)N TS05269 [0,0,0,0,0,0|3,1,0]=4 48 B8R1.7 c1c(nc[nH]1)C(=S)S TS40224 [0,0,0,0,0,0|3,1,0]=4 49 B8R1.7 c1c(nc[nH]1)[N+](=O)[O-] TS60066 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.7 c1c(nco1)C(=O)O TS00378 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.7 c1c(nco1)C(=S)N TS05326 [0,0,0,0,0,0|3,1,0]=4 52 B8R1.7 c1c(ncs1)C(=O)N TS01722 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.7 c1c(ncs1)C(=S)N TS40225 [0,0,0,0,0,0|3,1,0]=4 54 B8R1.7 c1c(nn[nH]1)C(=O)O TS32000 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.7 c1c(nns1)C(=O)N TS05450 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.7 c1c(nns1)C(=O)O TS59879 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.7 c1c(non1)C(=O)O TS59880 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.7 c1c(nsn1)C(=O)O TS46770 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.7 c1c(ocn1)C(=O)N TS04275 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.7 c1c(ocn1)C(=O)O TS01173 [0,0,0,0,0,0|2,0,0]=2 61 B8R1.7 c1c(ocn1)C(=S)N TS05325 [0,0,0,0,0,0|2,1,0]=3 62 B8R1.7 c1c(scn1)C(=S)N TS40223 [0,0,0,0,0,0|2,2,0]=4 63 B8R1.7 c1c[nH]cc1[N+](=O)[O-] TS04276 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.7 c1c[nH]nc1[N+](=O)[O-] TS55490 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.7 c1cc([nH]c1)C(=N)N TS31801 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [0,0,0,0,0,0|2,0,0]=2 69 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [0,0,0,0,0,0|2,0,0]=2 70 B8R1.7 c1cc(oc1)C(=N)N TS31821 [0,0,0,0,0,0|2,0,0]=2 71 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [0,0,0,0,0,0|1,0,0]=1 72 B8R1.7 c1cc(oc1)C(=O)N TS04237 [0,0,0,0,0,0|1,0,0]=1 73 B8R1.7 c1cc(oc1)C(=O)O TS04269 [0,0,0,0,0,0|1,0,0]=1 74 B8R1.7 c1cc(oc1)C(=S)N TS05264 [0,0,0,0,0,0|1,1,0]=2 75 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [0,0,0,0,0,0|2,0,0]=2 76 B8R1.7 c1cc(sc1)C(=N)N TS08265 [0,0,0,0,0,0|2,1,0]=3 77 B8R1.7 c1cc(sc1)C(=N)N TS36145 [0,0,0,0,0,0|2,1,0]=3 78 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [0,0,0,0,0,0|1,1,0]=2 79 B8R1.7 c1cc(sc1)C(=O)N TS05268 [0,0,0,0,0,0|1,1,0]=2 80 B8R1.7 c1cc(sc1)C(=O)O TS59443 [0,0,0,0,0,0|1,1,0]=2 81 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [0,0,0,0,0,0|1,1,0]=2 82 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [0,0,0,0,0,0|1,1,0]=2 83 B8R1.7 c1cc(sc1)[N+](=O)[O-] TS09400 [0,0,0,0,0,0|2,1,0]=3 84 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [0,0,0,0,0,0|2,0,1]=3 85 B8R1.7 c1cnc([nH]1)C(=N)N TS86302 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [0,0,0,0,0,0|3,0,0]=3 87 B8R1.7 c1cnc([nH]1)C(=S)N TS05270 [0,0,0,0,0,0|3,1,0]=4 88 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] TS09392 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] TS94750 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.7 c1cnn(c1)[N+](=O)[O-] TS00503 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.7 c1cnoc1C(=O)Cl TS56205 [0,0,0,0,0,0|2,0,0]=2 92 B8R1.7 c1cnoc1C(=O)N TS04271 [0,0,0,0,0,0|2,0,0]=2 93 B8R1.7 c1cnoc1C(=S)N TS05329 [0,0,0,0,0,0|2,1,0]=3 94 B8R1.7 c1cnsc1C(=O)O TS05447 [0,0,0,0,0,0|2,1,0]=3 95 B8R1.7 c1coc(n1)C(=O)N TS04277 [0,0,0,0,0,0|2,0,0]=2 96 B8R1.7 c1coc(n1)C(=O)O TS39923 [0,0,0,0,0,0|2,0,0]=2 97 B8R1.7 c1coc(n1)C(=S)N TS05328 [0,0,0,0,0,0|2,1,0]=3 98 B8R1.7 c1coc(n1)C(Cl)Cl TS10106 [0,0,0,0,0,0|3,0,1]=4 99 B8R1.7 c1cocc1C(=N)N TS07281 [0,0,0,0,0,0|4,0,0]=4 100 B8R1.7 c1cocc1C(=O)Cl TS36565 [0,0,0,0,0,0|3,0,0]=3 101 B8R1.7 c1cocc1C(=O)O TS02783 [0,0,0,0,0,0|3,0,0]=3 102 B8R1.7 c1cocc1C(=O)O TS13775 [0,0,0,0,0,0|3,0,0]=3 103 B8R1.7 c1cocc1C(=S)N TS05267 [0,0,0,0,0,0|3,1,0]=4 104 B8R1.7 c1conc1C(=O)O TS00353 [0,0,0,0,0,0|3,0,0]=3 105 B8R1.7 c1csc(n1)C(=N)N TS89084 [0,0,0,0,0,0|3,1,0]=4 106 B8R1.7 c1csc(n1)C(=O)O TS05448 [0,0,0,0,0,0|2,1,0]=3 107 B8R1.7 c1csc(n1)C(=O)O TS85376 [0,0,0,0,0,0|2,1,0]=3 108 B8R1.7 c1csc(n1)[N+](=O)[O-] TS36466 [0,0,0,0,0,0|3,1,0]=4 109 B8R1.7 c1cscc1C(=N)N TS11635 [0,0,0,0,0,0|4,0,0]=4 110 B8R1.7 c1cscc1C(=O)Cl TS22828 [0,0,0,0,0,0|3,0,0]=3 111 B8R1.7 c1cscc1C(=O)O TS59444 [0,0,0,0,0,0|3,0,0]=3 112 B8R1.7 c1cscc1C(=S)N TS06880 [0,0,0,0,0,0|3,1,0]=4 113 B8R1.7 c1csnc1C(=O)O TS91622 [0,0,0,0,0,0|3,0,0]=3 114 B7R1.1 C#Cc1cccs1 TS59968 [1,0,0,0,0,0|0,1,2]=4 115 B7R1.1 C1C=C(CS1)C=O TS04454 [1,0,0,0,0,0|2,0,1]=4 116 B7R1.1 CCc1[nH]ccn1 TS31379 [1,0,0,0,0,0|2,0,1]=4 117 B7R1.1 CCc1cc[nH]c1 TS03698 [1,0,0,0,0,0|2,0,1]=4 118 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,0,0,0|1,0,1]=3 119 B7R1.1 CCc1ccco1 TS31365 [1,0,0,0,0,0|0,0,1]=2 120 B7R1.1 CCc1cccs1 TS04335 [1,0,0,0,0,0|0,1,1]=3 121 B7R1.1 CCc1ccsc1 TS04333 [1,0,0,0,0,0|2,0,1]=4 122 B7R1.1 CCc1nccs1 TS32027 [1,0,0,0,0,0|1,1,1]=4 123 B7R1.1 CCn1cccc1 TS03701 [1,0,0,0,0,0|2,0,1]=4 124 B7R1.1 CCn1cccn1 TS77180 [1,0,0,0,0,0|2,0,1]=4 125 B7R1.1 CNc1ccn[nH]1 TS91536 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.1 CNc1cnco1 TS01626 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.1 CNc1cncs1 TS91086 [1,0,0,0,0,0|2,1,0]=4 128 B7R1.1 CNc1cocn1 TS01625 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.1 CNc1cocn1 TS71270 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.1 CNc1ncco1 TS05943 [1,0,0,0,0,0|2,0,0]=3 131 B7R1.1 COc1ccco1 TS03757 [1,0,0,0,0,0|1,0,0]=2 132 B7R1.1 COc1cccs1 TS39279 [1,0,0,0,0,0|1,1,0]=3 133 B7R1.1 COc1ccsc1 TS70649 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.1 CSc1c[nH]cn1 TS04457 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.1 CSc1cccs1 TS05614 [1,0,0,0,0,0|1,1,0]=3 136 B7R1.1 CSc1ccsc1 TS05615 [1,0,0,0,0,0|3,0,0]=4 137 B7R1.1 CSc1nccs1 TS36627 [1,0,0,0,0,0|2,1,0]=4 138 B7R1.1 c1c(cn[nH]1)C=O TS00454 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.1 c1c(con1)C=O TS03745 [1,0,0,0,0,0|3,0,0]=4 140 B7R1.1 c1c(nc[nH]1)C=O TS01483 [1,0,0,0,0,0|2,0,0]=3 141 B7R1.1 c1c(nco1)C=O TS71269 [1,0,0,0,0,0|2,0,0]=3 142 B7R1.1 c1c(ncs1)C=O TS01721 [1,0,0,0,0,0|2,0,0]=3 143 B7R1.1 c1c(nn[nH]1)C=O TS00445 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.1 c1c(nns1)C=O TS32058 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.1 c1c(ocn1)C#N TS03664 [1,0,0,0,0,0|2,0,1]=4 146 B7R1.1 c1c(ocn1)C=O TS01172 [1,0,0,0,0,0|1,0,0]=2 147 B7R1.1 c1c(ocn1)CBr TS42378 [1,0,0,0,0,0|2,0,1]=4 148 B7R1.1 c1c(ocn1)CCl TS32309 [1,0,0,0,0,0|2,0,1]=4 149 B7R1.1 c1c(ocn1)CO TS91185 [1,0,0,0,0,0|1,0,2]=4 150 B7R1.1 c1c(scn1)C=O TS55509 [1,0,0,0,0,0|1,1,0]=3 151 B7R1.1 c1c[nH]cc1C=O TS00457 [1,0,0,0,0,0|2,0,0]=3 152 B7R1.1 c1c[nH]nc1C=O TS59363 [1,0,0,0,0,0|2,0,0]=3 153 B7R1.1 c1cc([nH]c1)C#N TS01671 [1,0,0,0,0,0|2,0,1]=4 154 B7R1.1 c1cc([nH]c1)C=O TS01672 [1,0,0,0,0,0|1,0,0]=2 155 B7R1.1 c1cc([nH]c1)CN TS31377 [1,0,0,0,0,0|2,0,1]=4 156 B7R1.1 c1cc(oc1)C#N TS71874 [1,0,0,0,0,0|1,0,1]=3 157 B7R1.1 c1cc(oc1)C=O TS03712 [1,0,0,0,0,0|0,0,0]=1 158 B7R1.1 c1cc(oc1)CN TS03749 [1,0,0,0,0,0|1,0,1]=3 159 B7R1.1 c1cc(oc1)CO TS03766 [1,0,0,0,0,0|0,0,2]=3 160 B7R1.1 c1cc(oc1)CS TS32087 [1,0,0,0,0,0|0,1,1]=3 161 B7R1.1 c1cc(sc1)C#N TS65659 [1,0,0,0,0,0|1,1,1]=4 162 B7R1.1 c1cc(sc1)C=O TS65660 [1,0,0,0,0,0|0,1,0]=2 163 B7R1.1 c1cc(sc1)CCl TS01778 [1,0,0,0,0,0|1,1,1]=4 164 B7R1.1 c1cc(sc1)CN TS65663 [1,0,0,0,0,0|1,1,1]=4 165 B7R1.1 c1cc(sc1)CO TS32088 [1,0,0,0,0,0|0,1,2]=4 166 B7R1.1 c1cc(sc1)CS TS05613 [1,0,0,0,0,0|0,2,1]=4 167 B7R1.1 c1cc[c-](c1)C=O TS21602 [1,0,0,0,0,0|1,0,1]=3 168 B7R1.1 c1cn(cn1)C=O TS03714 [1,0,0,0,0,0|3,0,0]=4 169 B7R1.1 c1cn[nH]c1C=O TS85315 [1,0,0,0,0,0|2,0,0]=3 170 B7R1.1 c1cnc([nH]1)C=O TS77140 [1,0,0,0,0,0|2,0,0]=3 171 B7R1.1 c1cnoc1C=O TS03746 [1,0,0,0,0,0|1,0,0]=2 172 B7R1.1 c1cnoc1CN TS01391 [1,0,0,0,0,0|2,0,1]=4 173 B7R1.1 c1cnoc1CN TS56201 [1,0,0,0,0,0|2,0,1]=4 174 B7R1.1 c1cnoc1CO TS31470 [1,0,0,0,0,0|1,0,2]=4 175 B7R1.1 c1cnsc1C=O TS04385 [1,0,0,0,0,0|1,1,0]=3 176 B7R1.1 c1coc(n1)C=O TS09404 [1,0,0,0,0,0|1,0,0]=2 177 B7R1.1 c1coc(n1)CCl TS55279 [1,0,0,0,0,0|2,0,1]=4 178 B7R1.1 c1coc(n1)CO TS89980 [1,0,0,0,0,0|1,0,2]=4 179 B7R1.1 c1cocc1C=O TS02781 [1,0,0,0,0,0|2,0,0]=3 180 B7R1.1 c1conc1C=O TS56203 [1,0,0,0,0,0|2,0,0]=3 181 B7R1.1 c1csc(n1)C=O TS19605 [1,0,0,0,0,0|1,1,0]=3 182 B7R1.1 c1csc(n1)C=O TS65653 [1,0,0,0,0,0|1,1,0]=3 183 B7R1.1 c1cscc1C=O TS70719 [1,0,0,0,0,0|2,0,0]=3 184 B7R1.1 c1nnc(o1)C=O TS03752 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.11 CC(=NO)c1ccco1 TS05079 [0,1,0,0,0,0|0,0,1]=2 186 B9R1.11 CC(c1ccco1)NO TS36224 [0,1,0,0,0,0|0,0,2]=3 187 B9R1.11 CCC(=O)c1ccco1 TS07974 [0,1,0,0,0,0|0,0,0]=1 188 B9R1.11 CCC(=O)c1cccs1 TS37392 [0,1,0,0,0,0|0,1,0]=2 189 B9R1.11 CCC(=O)c1nccs1 TS37503 [0,1,0,0,0,0|1,1,0]=3 190 B9R1.11 CCC(=O)n1ccnc1 TS32614 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.11 COC(=O)C1=CCCC1 TS85230 [0,1,0,0,0,0|1,0,2]=4 192 B9R1.11 COC(=O)C1CC=CC1 TS05159 [0,1,0,0,0,0|1,0,2]=4 193 B9R1.11 COC(=O)[C@@H]1C=CCN1 TS11768 [0,1,0,0,0,0|1,0,2]=4 194 B9R1.11 COC(=O)c1[nH]ccn1 TS87683 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.11 COC(=O)c1c[nH]cn1 TS01547 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.11 COC(=O)c1c[nH]nc1 TS36104 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.11 COC(=O)c1cc[nH]n1 TS01548 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.11 COC(=O)c1ccc[nH]1 TS01549 [0,1,0,0,0,0|1,0,0]=2 199 B9R1.11 COC(=O)c1ccco1 TS56258 [0,1,0,0,0,0|0,0,0]=1 200 B9R1.11 COC(=O)c1cccs1 TS37577 [0,1,0,0,0,0|0,1,0]=2 201 B9R1.11 COC(=O)c1cccs1 TS37579 [0,1,0,0,0,0|0,1,0]=2 202 B9R1.11 COC(=O)c1ccns1 TS56200 [0,1,0,0,0,0|1,1,0]=3 203 B9R1.11 COC(=O)c1ccoc1 TS00187 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.11 COC(=O)c1ccsc1 TS37576 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.11 COC(=O)c1cncs1 TS01561 [0,1,0,0,0,0|1,1,0]=3 206 B9R1.11 COC(=O)c1cnoc1 TS05236 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.11 COC(=O)c1cscn1 TS01560 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.11 COC(=O)c1nc[nH]n1 TS01546 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.11 COC(=O)n1cccc1 TS05085 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.11 c1c(nco1)C(=O)NN TS05252 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.11 c1c(ncs1)C(=O)NN TS40077 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.11 c1c(ocn1)C(=O)NN TS05248 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.11 c1c(scn1)C(=O)NN TS40073 [0,1,0,0,0,0|2,1,0]=4 214 B9R1.11 c1cc([nH]c1)C(=O)CCl TS40119 [0,1,0,0,0,0|1,0,0]=2 215 B9R1.11 c1cc(oc1)C(=N)NO TS36105 [0,1,0,0,0,0|1,0,1]=3 216 B9R1.11 c1cc(oc1)C(=O)NN TS36103 [0,1,0,0,0,0|1,0,0]=2 217 B9R1.11 c1cc(oc1)C(CN)O TS36223 [0,1,0,0,0,0|0,0,2]=3 218 B9R1.11 c1cc(oc1)[C@@H](CN)O TS36216 [0,1,0,0,0,0|0,0,2]=3 219 B9R1.11 c1cc(sc1)C(=NO)N TS37586 [0,1,0,0,0,0|1,1,1]=4 220 B9R1.11 c1cc(sc1)C(=O)CBr TS47079 [0,1,0,0,0,0|0,1,0]=2 221 B9R1.11 c1cc(sc1)C(=O)CCl TS42252 [0,1,0,0,0,0|0,1,0]=2 222 B9R1.11 c1cc(sc1)C(=O)NN TS37584 [0,1,0,0,0,0|1,1,0]=3 223 B9R1.11 c1cc(sc1)C(CO)N TS91316 [0,1,0,0,0,0|1,1,1]=4 224 B9R1.11 c1cn[nH]c1C(=O)NN TS86178 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.11 c1coc(n1)C(=O)NN TS05247 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.11 c1csc(n1)C(=O)CBr TS00230 [0,1,0,0,0,0|1,1,0]=3 227 B9R1.11 c1csc(n1)C(=O)NN TS40074 [0,1,0,0,0,0|2,1,0]=4 228 B9R1.11 c1cscc1C(=O)CBr TS09435 [0,1,0,0,0,0|2,0,0]=3 229 B9R1.11 c1cscc1C(=O)NN TS37589 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.19 CC(C)(C)c1ccco1 TS36002 [0,1,0,0,0,0|1,0,1]=3 231 B9R1.19 CC(C)(C)c1cccs1 TS37429 [0,1,0,0,0,0|1,1,1]=4 232 B9R1.19 CS(=O)(=O)c1cccs1 TS42490 [0,1,0,0,0,0|1,1,0]=3 233 B9R1.19 CS(=O)(=O)c1cccs1 TS61524 [0,1,0,0,0,0|1,1,0]=3 234 B9R1.19 C[Si](C)(C)c1cccs1 TS10781 [0,1,0,0,0,0|1,2,0]=4 235 B9R1.19 c1cc(sc1)S(=O)(=O)Cl TS65664 [0,1,0,0,0,0|2,1,0]=4 236 B9R1.19 c1cc(sc1)S(=O)(=O)N TS65654 [0,1,0,0,0,0|2,1,0]=4 237 B9R1.19 c1cc(sc1)S(=O)(=O)[O-] TS15585 [0,1,0,0,0,0|2,1,0]=4 238 B9R1.35 B(c1ccc(o1)C)(O)O TS01154 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.35 CC(=O)C1CCC(=O)O1 TS36267 [0,1,0,0,0,0|0,0,3]=4 240 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [0,1,0,0,0,0|1,0,0]=2 241 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [0,1,0,0,0,0|0,1,0]=2 242 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [0,1,0,0,0,0|0,1,0]=2 243 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [0,1,0,0,0,0|0,0,0]=1 245 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [0,1,0,0,0,0|0,1,0]=2 246 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [0,1,0,0,0,0|0,1,0]=2 247 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [0,1,0,0,0,0|0,1,0]=2 248 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.35 CC(=O)c1cnn(c1)C TS46696 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.35 CC(=O)c1csc(n1)N TS37585 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.35 CC(=O)c1ncc(s1)Br TS87763 [0,1,0,0,0,0|1,1,0]=3 252 B9R1.35 CC(=O)c1ncc(s1)Cl TS91945 [0,1,0,0,0,0|1,1,0]=3 253 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.35 Cc1cc(no1)C(=O)Cl TS07136 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [0,1,0,0,0,0|1,0,0]=2 261 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,1,0,0,0,0|0,1,0]=2 263 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [0,1,0,0,0,0|1,1,0]=3 264 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [0,1,0,0,0,0|1,1,0]=3 265 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,1,0,0,0,0|0,0,0]=1 267 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,1,0,0,0,0|1,0,0]=2 268 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,1,0,0,0,0|0,1,0]=2 270 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,1,0,0,0,0|1,1,0]=3 271 B9R1.35 Cc1ccn(n1)C(=O)N TS70674 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [0,1,0,0,0,0|2,1,0]=4 273 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [0,1,0,0,0,0|2,1,0]=4 274 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.35 Cc1nc(cs1)C(=O)N TS02166 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [0,1,0,0,0,0|2,1,0]=4 278 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [0,1,0,0,0,0|2,1,0]=4 279 B9R1.35 Cc1nnc(o1)C(=O)O TS29444 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.35 Cn1cc(nc1)C(=O)N TS77120 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.35 Cn1ccc(n1)C(=O)Cl TS40272 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O TS05309 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [0,1,0,0,0,0|2,0,0]=3 287 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.35 c1c(csc1C(=O)Cl)Br TS24055 [0,1,0,0,0,0|1,1,0]=3 289 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [0,1,0,0,0,0|1,1,0]=3 290 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [0,1,0,0,0,0|1,1,0]=3 291 B9R1.35 c1c(csc1C(=O)O)F TS09710 [0,1,0,0,0,0|1,1,0]=3 292 B9R1.35 c1c(csc1C(=O)O)N TS14480 [0,1,0,0,0,0|1,1,0]=3 293 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.35 c1c(csc1F)C(=O)O TS87661 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.35 c1c(n[nH]c1N)C(=O)O TS05251 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [0,1,0,0,0,0|2,1,0]=4 301 B9R1.35 c1c(nc(s1)N)C(=O)N TS40075 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [0,1,0,0,0,0|2,1,0]=4 305 B9R1.35 c1c(sc(n1)C(=O)O)Br TS90897 [0,1,0,0,0,0|2,1,0]=4 306 B9R1.35 c1c(sc(n1)C(=O)O)Cl TS89631 [0,1,0,0,0,0|2,1,0]=4 307 B9R1.35 c1c(sc(n1)C(=O)O)N TS91372 [0,1,0,0,0,0|2,1,0]=4 308 B9R1.35 c1c(sc(n1)C(=O)O)N TS92537 [0,1,0,0,0,0|2,1,0]=4 309 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [0,1,0,0,0,0|2,1,0]=4 310 B9R1.35 c1cc([nH]c1C(=O)N)Br TS91618 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [0,1,0,0,0,0|1,0,0]=2 312 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [0,1,0,0,0,0|1,0,0]=2 313 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [0,1,0,0,0,0|1,0,0]=2 314 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [0,1,0,0,0,0|1,0,0]=2 315 B9R1.35 c1cc(oc1[N+](=O)[O-])Br TS17400 [0,1,0,0,0,0|2,0,0]=3 316 B9R1.35 c1cc(sc1C(=O)Cl)Cl TS48026 [0,1,0,0,0,0|1,1,0]=3 317 B9R1.35 c1cc(sc1C(=O)N)Cl TS42360 [0,1,0,0,0,0|1,1,0]=3 318 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [0,1,0,0,0,0|1,1,0]=3 319 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [0,1,0,0,0,0|1,1,0]=3 320 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [0,1,0,0,0,0|1,1,0]=3 321 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [0,1,0,0,0,0|1,1,0]=3 322 B9R1.35 c1cc(sc1[N+](=O)[O-])Br TS07708 [0,1,0,0,0,0|2,1,0]=4 323 B9R1.41 CC(=O)c1c(ccs1)Br TS38751 [0,1,0,0,0,0|0,1,0]=2 324 B9R1.41 CC(=O)c1c(ccs1)Cl TS42249 [0,1,0,0,0,0|0,1,0]=2 325 B9R1.41 CC(=O)c1c(ccs1)N TS47344 [0,1,0,0,0,0|0,1,0]=2 326 B9R1.41 CC(=O)c1cccn1C TS04953 [0,1,0,0,0,0|1,0,0]=2 327 B9R1.41 CC(=O)c1nccn1C TS86142 [0,1,0,0,0,0|2,0,0]=3 328 B9R1.41 Cc1c(cco1)C(=O)Cl TS40263 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.41 Cc1c(ccs1)C(=O)N TS37500 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.41 Cc1c(cno1)C(=O)C TS05072 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.41 Cc1c(nco1)C(=O)O TS55474 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.41 Cc1c(ncs1)C(=O)O TS55484 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.41 Cc1c(ocn1)C(=O)C TS46731 [0,1,0,0,0,0|1,0,0]=2 335 B9R1.41 Cc1c(ocn1)C(=O)Cl TS07135 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.41 Cc1c(ocn1)C(=O)N TS05146 [0,1,0,0,0,0|2,0,0]=3 337 B9R1.41 Cc1c(ocn1)C(=O)O TS03173 [0,1,0,0,0,0|2,0,0]=3 338 B9R1.41 Cc1c(scn1)C(=O)C TS37499 [0,1,0,0,0,0|1,1,0]=3 339 B9R1.41 Cc1c(scn1)C(=O)O TS71243 [0,1,0,0,0,0|2,1,0]=4 340 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [0,1,0,0,0,0|2,0,0]=3 341 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [0,1,0,0,0,0|1,0,0]=2 342 B9R1.41 Cc1ccoc1C(=O)O TS70657 [0,1,0,0,0,0|1,0,0]=2 343 B9R1.41 Cc1ccsc1C(=O)C TS37389 [0,1,0,0,0,0|0,1,0]=2 344 B9R1.41 Cc1ccsc1C(=O)Cl TS42248 [0,1,0,0,0,0|1,1,0]=3 345 B9R1.41 Cc1ccsc1C(=O)N TS37501 [0,1,0,0,0,0|1,1,0]=3 346 B9R1.41 Cc1ccsc1C(=O)O TS70685 [0,1,0,0,0,0|1,1,0]=3 347 B9R1.41 Cc1cnoc1C(=O)O TS03172 [0,1,0,0,0,0|2,0,0]=3 348 B9R1.41 Cc1conc1C(=O)O TS05238 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.41 Cn1c(ccn1)C(=O)O TS16656 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.41 Cn1cccc1C(=O)O TS46984 [0,1,0,0,0,0|2,0,0]=3 351 B9R1.41 Cn1ccnc1C(=O)O TS00468 [0,1,0,0,0,0|3,0,0]=4 352 B9R1.41 Cn1cncc1C(=O)Cl TS14718 [0,1,0,0,0,0|3,0,0]=4 353 B9R1.41 Cn1cncc1C(=O)Cl TS40270 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.41 Cn1cncc1C(=O)O TS00470 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.41 c1[nH]c(c(n1)C(=O)N)N TS32961 [0,1,0,0,0,0|3,0,0]=4 356 B9R1.41 c1c(c(cs1)Br)C(=O)O TS09619 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.41 c1c(c(n[nH]1)C(=O)O)Br TS17204 [0,1,0,0,0,0|3,0,0]=4 358 B9R1.41 c1cc(n(c1)N)C(=O)N TS89649 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [0,1,0,0,0,0|1,0,0]=2 360 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.41 c1csc(c1Br)C(=O)Cl TS24054 [0,1,0,0,0,0|1,1,0]=3 362 B9R1.41 c1csc(c1Br)C(=O)N TS20092 [0,1,0,0,0,0|1,1,0]=3 363 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [0,1,0,0,0,0|1,1,0]=3 364 B9R1.41 c1csc(c1Br)C(=S)N TS50065 [0,1,0,0,0,0|1,2,0]=4 365 B9R1.41 c1csc(c1Br)[N+](=O)[O-] TS43380 [0,1,0,0,0,0|2,1,0]=4 366 B9R1.41 c1csc(c1C(=O)N)N TS40037 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.41 c1csc(c1C(=O)O)F TS07162 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.41 c1csc(c1C(=O)O)N TS55051 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.41 c1csc(c1Cl)C(=O)Cl TS48025 [0,1,0,0,0,0|1,1,0]=3 372 B9R1.41 c1csc(c1Cl)C(=O)N TS42361 [0,1,0,0,0,0|1,1,0]=3 373 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [0,1,0,0,0,0|1,1,0]=3 374 B9R1.41 c1csc(c1F)C(=O)O TS70577 [0,1,0,0,0,0|1,1,0]=3 375 B9R1.41 c1csc(c1I)C(=O)O TS28552 [0,1,0,0,0,0|1,1,0]=3 376 B9R1.41 c1csc(c1N)C(=O)N TS37588 [0,1,0,0,0,0|1,1,0]=3 377 B9R1.41 c1csc(c1N)C(=O)O TS14481 [0,1,0,0,0,0|1,1,0]=3 378 B9R1.41 c1csc(c1N)C(=O)O TS40071 [0,1,0,0,0,0|1,1,0]=3 379 B9R1.41 c1csc(c1O)C(=O)O TS40161 [0,1,0,0,0,0|1,1,0]=3 380 B9R1.41 c1nc(c(s1)Br)C(=O)O TS71468 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.41 c1nc(c(s1)C(=O)O)Cl TS71047 [0,1,0,0,0,0|2,1,0]=4 382 B7R0.4 CC(=CCCC=C)C TS31846 [0,0,1,0,0,0|2,0,1]=4 383 B7R0.4 CC(=O)OC=CC=C TS31913 [0,0,1,0,0,0|2,0,0]=3 384 B7R0.4 CC(=O)OCCC=C TS04442 [0,0,1,0,0,0|2,0,1]=4 385 B7R0.4 CC=CC=CC(=O)C TS31841 [0,0,1,0,0,0|1,0,0]=2 386 B7R0.4 CC=CC=CC(=O)O TS31914 [0,0,1,0,0,0|2,0,0]=3 387 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [0,0,1,0,0,0|2,0,0]=3 388 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [0,0,1,0,0,0|2,0,0]=3 389 B7R0.4 CCCC=CC(=O)C TS31936 [0,0,1,0,0,0|1,0,2]=4 390 B7R0.5 CC(=C)C(=O)OC=C TS31917 [0,0,1,0,0,0|2,0,0]=3 391 B7R0.5 CCOC(=O)C(=O)C TS01478 [0,0,1,0,0,0|1,0,2]=4 392 B9R1.6 C1CC(OC=C1)C(=O)O TS36279 [0,0,0,0,0,1|1,0,2]=4 393 B9R1.6 C=C(c1ccccc1)Br TS48375 [0,0,0,0,0,1|2,0,1]=4 394 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [0,0,0,0,0,1|2,0,1]=4 395 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,0,0,0,0,1|2,0,0]=3 396 B9R1.6 CC(=O)C1=CCCCC1 TS36007 [0,0,0,0,0,1|1,0,2]=4 397 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,0,0,0,0,1|1,0,0]=2 398 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,0,0,0,0,1|1,0,0]=2 399 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,0,0,0,0,1|1,0,0]=2 400 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,0,0,0,0,1|1,0,0]=2 401 B9R1.6 CC(=O)c1ccccn1 TS04861 [0,0,0,0,0,1|1,0,0]=2 402 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,0,0,0,0,1|1,0,0]=2 403 B9R1.6 CC(=O)c1cccnn1 TS87133 [0,0,0,0,0,1|1,0,0]=2 404 B9R1.6 CC(=O)c1ccncc1 TS02952 [0,0,0,0,0,1|1,0,0]=2 405 B9R1.6 CC(=O)c1ccncn1 TS87400 [0,0,0,0,0,1|1,0,0]=2 406 B9R1.6 CC(=O)c1ccnnc1 TS89714 [0,0,0,0,0,1|2,0,0]=3 407 B9R1.6 CC(=O)c1cnccn1 TS55718 [0,0,0,0,0,1|1,0,0]=2 408 B9R1.6 CC(=O)c1cncnc1 TS46735 [0,0,0,0,0,1|2,0,0]=3 409 B9R1.6 CC(=O)c1ncccn1 TS91588 [0,0,0,0,0,1|1,0,0]=2 410 B9R1.6 CC(C)c1ccccn1 TS32479 [0,0,0,0,0,1|2,0,1]=4 411 B9R1.6 CC(C)c1ccccn1 TS49188 [0,0,0,0,0,1|2,0,1]=4 412 B9R1.6 CC(C)c1ccncc1 TS09132 [0,0,0,0,0,1|2,0,1]=4 413 B9R1.6 CC(C)c1cnccn1 TS04911 [0,0,0,0,0,1|2,0,1]=4 414 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,0,0,0,0,1|2,0,1]=4 415 B9R1.6 CC(c1ccccc1)N TS55879 [0,0,0,0,0,1|2,0,1]=4 416 B9R1.6 CC(c1ccccc1)O TS04908 [0,0,0,0,0,1|1,0,2]=4 417 B9R1.6 CC(c1ccccn1)N TS47025 [0,0,0,0,0,1|2,0,1]=4 418 B9R1.6 CC(c1ccccn1)N TS59503 [0,0,0,0,0,1|2,0,1]=4 419 B9R1.6 CC(c1ccccn1)O TS08930 [0,0,0,0,0,1|1,0,2]=4 420 B9R1.6 CC(c1cccnc1)N TS59573 [0,0,0,0,0,1|2,0,1]=4 421 B9R1.6 CC(c1ccncc1)N TS51965 [0,0,0,0,0,1|2,0,1]=4 422 B9R1.6 CC(c1ccncc1)N TS59574 [0,0,0,0,0,1|2,0,1]=4 423 B9R1.6 CC(c1ccncn1)N TS91641 [0,0,0,0,0,1|2,0,1]=4 424 B9R1.6 CC(c1cnccn1)N TS86731 [0,0,0,0,0,1|2,0,1]=4 425 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [0,0,0,0,0,1|3,0,0]=4 426 B9R1.6 CN(C)c1ccccc1 TS56353 [0,0,0,0,0,1|3,0,0]=4 427 B9R1.6 CN(C)c1ccccn1 TS04916 [0,0,0,0,0,1|3,0,0]=4 428 B9R1.6 CN(C)c1cccnc1 TS32521 [0,0,0,0,0,1|3,0,0]=4 429 B9R1.6 CN(C)c1ccncc1 TS71094 [0,0,0,0,0,1|3,0,0]=4 430 B9R1.6 CN(C)c1ccncc1 TS79663 [0,0,0,0,0,1|3,0,0]=4 431 B9R1.6 CN(C)c1ccncc1 TS93097 [0,0,0,0,0,1|3,0,0]=4 432 B9R1.6 CN(c1ccccc1)N TS46980 [0,0,0,0,0,1|3,0,0]=4 433 B9R1.6 CP(C)c1ccccc1 TS37178 [0,0,0,0,0,1|3,0,0]=4 434 B9R1.6 CP(C)c1ccccc1 TS75399 [0,0,0,0,0,1|3,0,0]=4 435 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,0,0,0,0,1|2,0,1]=4 436 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,0,0,0,0,1|1,0,2]=4 437 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [0,0,0,0,0,1|1,0,2]=4 438 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,0,0,0,0,1|1,0,2]=4 439 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [0,0,0,0,0,1|1,0,2]=4 440 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,0,0,0,0,1|2,0,1]=4 441 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,0,0,0,0,1|2,0,1]=4 442 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,0,0,0,0,1|1,0,2]=4 443 B9R1.6 C[C@H](c1ccccn1)O TS04976 [0,0,0,0,0,1|1,0,2]=4 444 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,0,0,0,0,1|1,0,2]=4 445 B9R1.6 C[C@H](c1ccncc1)O TS39982 [0,0,0,0,0,1|1,0,2]=4 446 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,0,0,0,0,1|2,1,0]=4 447 B9R1.6 c1c(cncn1)C(=O)O TS11330 [0,0,0,0,0,1|3,0,0]=4 448 B9R1.6 c1c(cncn1)C(=O)O TS88781 [0,0,0,0,0,1|3,0,0]=4 449 B9R1.6 c1c(cncn1)C(=O)[O-] TS40359 [0,0,0,0,0,1|3,0,0]=4 450 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [0,0,0,0,0,1|3,0,0]=4 451 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [0,0,0,0,0,1|2,0,0]=3 452 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [0,0,0,0,0,1|2,0,0]=3 453 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [0,0,0,0,0,1|2,0,0]=3 454 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [0,0,0,0,0,1|2,0,0]=3 455 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [0,0,0,0,0,1|2,0,0]=3 456 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [0,0,0,0,0,1|2,0,0]=3 457 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [0,0,0,0,0,1|2,0,0]=3 458 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [0,0,0,0,0,1|2,0,0]=3 459 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [0,0,0,0,0,1|2,0,0]=3 460 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [0,0,0,0,0,1|2,1,0]=4 461 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [0,0,0,0,0,1|2,0,1]=4 462 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [0,0,0,0,0,1|3,0,0]=4 463 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [0,0,0,0,0,1|2,0,0]=3 464 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [0,0,0,0,0,1|3,0,0]=4 465 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [0,0,0,0,0,1|3,0,0]=4 466 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [0,0,0,0,0,1|3,0,0]=4 467 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [0,0,0,0,0,1|2,0,0]=3 468 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [0,0,0,0,0,1|2,0,0]=3 469 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [0,0,0,0,0,1|2,0,0]=3 470 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [0,0,0,0,0,1|2,0,0]=3 471 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [0,0,0,0,0,1|2,0,0]=3 472 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [0,0,0,0,0,1|2,0,0]=3 473 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [0,0,0,0,0,1|2,0,0]=3 474 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [0,0,0,0,0,1|2,0,0]=3 475 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [0,0,0,0,0,1|2,0,0]=3 476 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [0,0,0,0,0,1|2,0,0]=3 477 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [0,0,0,0,0,1|2,0,0]=3 478 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [0,0,0,0,0,1|2,0,0]=3 479 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [0,0,0,0,0,1|2,0,0]=3 480 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [0,0,0,0,0,1|2,0,0]=3 481 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [0,0,0,0,0,1|2,1,0]=4 482 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [0,0,0,0,0,1|2,0,1]=4 483 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [0,0,0,0,0,1|3,0,0]=4 484 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [0,0,0,0,0,1|3,0,0]=4 485 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [0,0,0,0,0,1|3,0,0]=4 486 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [0,0,0,0,0,1|3,0,0]=4 487 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [0,0,0,0,0,1|3,0,0]=4 488 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [0,0,0,0,0,1|3,0,0]=4 489 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [0,0,0,0,0,1|3,0,0]=4 490 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [0,0,0,0,0,1|3,0,0]=4 491 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [0,0,0,0,0,1|2,0,0]=3 492 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [0,0,0,0,0,1|2,0,0]=3 493 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [0,0,0,0,0,1|2,0,0]=3 494 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [0,0,0,0,0,1|2,0,0]=3 495 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [0,0,0,0,0,1|2,0,0]=3 496 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [0,0,0,0,0,1|2,0,0]=3 497 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [0,0,0,0,0,1|2,0,0]=3 498 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [0,0,0,0,0,1|2,0,0]=3 499 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [0,0,0,0,0,1|2,1,0]=4 500 B9R1.6 c1cnc(cn1)C(=N)N TS32502 [0,0,0,0,0,1|3,0,0]=4 501 B9R1.6 c1cnc(cn1)C(=N)N TS59360 [0,0,0,0,0,1|3,0,0]=4 502 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [0,0,0,0,0,1|2,0,0]=3 503 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [0,0,0,0,0,1|2,0,0]=3 504 B9R1.6 c1cnc(cn1)C(=S)N TS37306 [0,0,0,0,0,1|2,1,0]=4 505 B9R1.6 c1cnc(nc1)C(=N)N TS08803 [0,0,0,0,0,1|3,0,0]=4 506 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [0,0,0,0,0,1|2,0,0]=3 507 B9R1.6 c1cnccc1C(=N)N TS01862 [0,0,0,0,0,1|3,0,0]=4 508 B9R1.6 c1cnccc1C(=O)Cl TS46358 [0,0,0,0,0,1|2,0,0]=3 509 B9R1.6 c1cnccc1C(=O)N TS74511 [0,0,0,0,0,1|2,0,0]=3 510 B9R1.6 c1cnccc1C(=O)O TS01508 [0,0,0,0,0,1|2,0,0]=3 511 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [0,0,0,0,0,1|2,0,0]=3 512 B9R1.6 c1cnccc1C(=S)N TS06294 [0,0,0,0,0,1|2,1,0]=4 513 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [0,0,0,0,0,1|3,0,0]=4 514 B9R1.6 c1cncnc1C(=O)O TS90236 [0,0,0,0,0,1|2,0,0]=3 515 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [0,0,0,0,0,1|3,0,0]=4 516 B9R1.6 c1cnncc1C(=O)O TS59368 [0,0,0,0,0,1|3,0,0]=4 517 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [0,0,0,0,0,1|1,0,2]=4 518 B9R1.13 CC(=O)Cc1ccco1 TS32606 [0,0,0,0,0,1|0,0,0]=1 519 B9R1.13 CC(=O)Nc1cccs1 TS08939 [0,0,0,0,0,1|0,1,0]=2 520 B9R1.13 CC(=O)Nc1ccsc1 TS37502 [0,0,0,0,0,1|2,0,0]=3 521 B9R1.13 CC(=O)Nc1nccs1 TS37583 [0,0,0,0,0,1|1,1,0]=3 522 B9R1.13 CC(Cc1cccs1)O TS37625 [0,0,0,0,0,1|0,1,2]=4 523 B9R1.13 CN(C)C=C1C=CC=C1 TS04871 [0,0,0,0,0,1|3,0,0]=4 524 B9R1.13 CN(C)Cc1cccs1 TS06616 [0,0,0,0,0,1|2,1,0]=4 525 B9R1.13 c1c(nc[nH]1)CC(=O)O TS42528 [0,0,0,0,0,1|3,0,0]=4 526 B9R1.13 c1c(nc[nH]1)CC(=O)[O-] TS40591 [0,0,0,0,0,1|3,0,0]=4 527 B9R1.13 c1c(nc[nH]1)CC(=O)[O-] TS43002 [0,0,0,0,0,1|3,0,0]=4 528 B9R1.13 c1c[nH]cc1CC(=O)O TS05070 [0,0,0,0,0,1|3,0,0]=4 529 B9R1.13 c1cc([nH]c1)CC(=O)O TS94888 [0,0,0,0,0,1|2,0,0]=3 530 B9R1.13 c1cc(oc1)CC(=O)O TS56166 [0,0,0,0,0,1|1,0,0]=2 531 B9R1.13 c1cc(sc1)CC(=N)N TS37404 [0,0,0,0,0,1|2,1,0]=4 532 B9R1.13 c1cc(sc1)CC(=O)Cl TS65658 [0,0,0,0,0,1|1,1,0]=3 533 B9R1.13 c1cc(sc1)CC(=O)N TS37498 [0,0,0,0,0,1|1,1,0]=3 534 B9R1.13 c1cc(sc1)CC(=O)O TS65656 [0,0,0,0,0,1|1,1,0]=3 535 B9R1.13 c1csc(n1)CC(=O)O TS88799 [0,0,0,0,0,1|2,1,0]=4 536 B9R1.13 c1cscc1CC(=O)Cl TS42246 [0,0,0,0,0,1|3,0,0]=4 537 B9R1.13 c1cscc1CC(=O)O TS00281 [0,0,0,0,0,1|3,0,0]=4 538 B6R0.4 C(C=CC(=O)O)O TS31577 [1,0,1,0,0,0|1,0,1]=4 539 B6R0.4 C=CC=CC(=O)O TS03760 [1,0,1,0,0,0|1,0,0]=3 540 B6R0.4 C=CCOC(=O)Cl TS33219 [1,0,1,0,0,0|1,0,1]=4 541 B6R0.4 C=CCOC(=O)N TS31538 [1,0,1,0,0,0|1,0,1]=4 542 B6R0.4 CC(=CCC=C)C TS03719 [1,0,1,0,0,0|1,0,1]=4 543 B6R0.4 CC(=O)C=COC TS03850 [1,0,1,0,0,0|1,0,1]=4 544 B6R0.4 CC(=O)CCC=C TS31440 [1,0,1,0,0,0|0,0,2]=4 545 B6R0.4 CC(=O)OCC=C TS03845 [1,0,1,0,0,0|0,0,1]=3 546 B6R0.4 CC(=O)OCC=O TS31580 [1,0,1,0,0,0|1,0,1]=4 547 B6R0.4 CC(=S)OCC=C TS04611 [1,0,1,0,0,0|0,1,1]=4 548 B6R0.4 CC(C)C=CC=C TS31391 [1,0,1,0,0,0|1,0,1]=4 549 B6R0.4 CCC=CC(=O)C TS31424 [1,0,1,0,0,0|0,0,2]=4 550 B6R0.6 C(=CC=O)C=CBr TS11348 [1,0,1,0,0,0|1,0,0]=3 551 B6R0.6 CC=CC=CC#N TS71880 [1,0,1,0,0,0|1,0,1]=4 552 B6R0.6 CC=CC=CC=O TS31368 [1,0,1,0,0,0|0,0,1]=3 553 B6R0.6 CC=CC=CCO TS31427 [1,0,1,0,0,0|0,0,1]=3 554 B6R0.1 C=CC(=O)OC=C TS03768 [1,0,1,0,0,0|1,0,1]=4 555 B6R0.1 CC=C(C)CC=C TS03736 [1,0,1,0,0,0|1,0,1]=4 556 B6R0.1 CC=CC(=CC)C TS31385 [1,0,1,0,0,0|1,0,1]=4 557 B6R0.1 CCC(=O)OC=C TS31498 [1,0,1,0,0,0|1,0,1]=4 558 B6R0.3 CC(=O)C(=O)OC TS31579 [1,0,1,0,0,0|1,0,1]=4 559 B6R0.3 CC(=O)N(C)C=C TS59326 [1,0,1,0,0,0|1,0,1]=4 560 B6R0.3 CC=C(C)C(=O)C TS31447 [1,0,1,0,0,0|0,0,2]=4 561 B6R1.2 C1=CN=NC1=O TS03479 [2,0,0,0,0,0|2,0,0]=4 562 B6R1.2 C1C=CC(=O)N1 TS71697 [2,0,0,0,0,0|1,0,1]=4 563 B6R1.2 C1C=CC(=O)O1 TS03476 [2,0,0,0,0,0|0,0,1]=3 564 B6R1.2 C1C=CCC1=O TS03462 [2,0,0,0,0,0|1,0,1]=4 565 B6R1.2 C1CC(=O)C=C1 TS00977 [2,0,0,0,0,0|1,0,1]=4 566 B6R1.2 CC1=CCCO1 TS03492 [2,0,0,0,0,0|0,0,2]=4 567 B6R1.2 Cc1[nH]ccn1 TS59974 [2,0,0,0,0,0|2,0,0]=4 568 B6R1.2 Cc1c[nH]cn1 TS03464 [2,0,0,0,0,0|2,0,0]=4 569 B6R1.2 Cc1cc[nH]c1 TS70679 [2,0,0,0,0,0|2,0,0]=4 570 B6R1.2 Cc1cc[nH]n1 TS70653 [2,0,0,0,0,0|2,0,0]=4 571 B6R1.2 Cc1ccco1 TS03463 [2,0,0,0,0,0|0,0,0]=2 572 B6R1.2 Cc1cccs1 TS65607 [2,0,0,0,0,0|0,1,0]=3 573 B6R1.2 Cc1ccno1 TS71696 [2,0,0,0,0,0|1,0,0]=3 574 B6R1.2 Cc1ccoc1 TS02846 [2,0,0,0,0,0|2,0,0]=4 575 B6R1.2 Cc1ccsc1 TS70682 [2,0,0,0,0,0|2,0,0]=4 576 B6R1.2 Cc1ccsn1 TS39717 [2,0,0,0,0,0|2,0,0]=4 577 B6R1.2 Cc1cncs1 TS33187 [2,0,0,0,0,0|1,1,0]=4 578 B6R1.2 Cc1cscn1 TS71246 [2,0,0,0,0,0|2,0,0]=4 579 B6R1.2 Cn1cccc1 TS03445 [2,0,0,0,0,0|2,0,0]=4 580 B6R1.2 Cn1cccn1 TS47002 [2,0,0,0,0,0|2,0,0]=4 581 B6R1.2 c1c[nH]c(=O)[nH]1 TS03478 [2,0,0,0,0,0|2,0,0]=4 582 B6R1.2 c1cc(oc1)Br TS55169 [2,0,0,0,0,0|1,0,0]=3 583 B6R1.2 c1cc(sc1)Br TS55181 [2,0,0,0,0,0|1,1,0]=4 584 B6R1.2 c1cc(sc1)Cl TS04771 [2,0,0,0,0,0|1,1,0]=4 585 B6R1.2 c1cc(sc1)F TS01041 [2,0,0,0,0,0|1,1,0]=4 586 B6R1.2 c1cc(sc1)I TS07727 [2,0,0,0,0,0|1,1,0]=4 587 B6R1.2 c1cc(sc1)S TS39686 [2,0,0,0,0,0|0,2,0]=4 588 B6R1.2 c1cc(sc1)[Zn+] TS24604 [2,0,0,0,0,0|1,1,0]=4 589 B6R1.2 c1cnoc1N TS85224 [2,0,0,0,0,0|2,0,0]=4 590 B6R1.2 c1coc(=O)o1 TS16828 [2,0,0,0,0,0|1,0,0]=3 591 B6R1.2 c1coc(n1)I TS86803 [2,0,0,0,0,0|2,0,0]=4 592 B6R1.2 c1coc(n1)N TS00816 [2,0,0,0,0,0|2,0,0]=4 593 B8R0.6 CC=CC=CC(=O)NO TS36227 [0,1,1,0,0,0|2,0,0]=4 594 B8R0.6 CC=CC=CC(=O)OC TS05163 [0,1,1,0,0,0|1,0,0]=3 595 B8R0.9 CC(=C)COC(=O)C=C TS36122 [0,1,1,0,0,0|1,0,1]=4 596 B8R0.9 CC(=O)C=CC(=O)OC TS36270 [0,1,1,0,0,0|2,0,0]=4 597 B8R0.28 C(C=CC(=O)O)C(=O)O TS36453 [0,1,1,0,0,0|1,0,1]=4 598 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [0,1,1,0,0,0|1,0,0]=3 599 B8R0.28 CC(=O)CC=CC(=O)O TS36269 [0,1,1,0,0,0|0,0,1]=3 600 B8R1.1 CCc1ccc(s1)C TS36173 [1,1,0,0,0,0|0,1,1]=4 601 B8R1.1 COc1cc(no1)N TS01142 [1,1,0,0,0,0|2,0,0]=4 602 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [1,1,0,0,0,0|2,0,0]=4 603 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [1,1,0,0,0,0|2,0,0]=4 604 B8R1.1 Cc1cc(no1)C=O TS08758 [1,1,0,0,0,0|2,0,0]=4 605 B8R1.1 Cc1cc(oc1)CN TS89029 [1,1,0,0,0,0|1,0,1]=4 606 B8R1.1 Cc1cc(sc1)C=O TS36137 [1,1,0,0,0,0|0,1,0]=3 607 B8R1.1 Cc1ccc(o1)C=O TS29447 [1,1,0,0,0,0|0,0,0]=2 608 B8R1.1 Cc1ccc(o1)CBr TS13614 [1,1,0,0,0,0|1,0,1]=4 609 B8R1.1 Cc1ccc(o1)CN TS31873 [1,1,0,0,0,0|1,0,1]=4 610 B8R1.1 Cc1ccc(o1)CO TS39784 [1,1,0,0,0,0|0,0,2]=4 611 B8R1.1 Cc1ccc(s1)C=O TS01147 [1,1,0,0,0,0|0,1,0]=3 612 B8R1.1 Cc1coc(n1)C=O TS90033 [1,1,0,0,0,0|1,0,0]=3 613 B8R1.1 Cc1csc(n1)C=O TS86523 [1,1,0,0,0,0|1,1,0]=4 614 B8R1.1 Cc1nc(cs1)C=O TS55442 [1,1,0,0,0,0|2,0,0]=4 615 B8R1.1 Cc1ncc(o1)C=O TS02441 [1,1,0,0,0,0|1,0,0]=3 616 B8R1.1 Cn1cc(nc1)C=O TS31819 [1,1,0,0,0,0|2,0,0]=4 617 B8R1.1 Cn1ccc(n1)C=O TS00048 [1,1,0,0,0,0|2,0,0]=4 618 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [1,1,0,0,0,0|1,0,0]=3 619 B8R1.1 c1c(coc1C=O)Br TS39327 [1,1,0,0,0,0|0,0,0]=2 620 B8R1.1 c1c(csc1Br)C=O TS90833 [1,1,0,0,0,0|2,0,0]=4 621 B8R1.1 c1c(csc1C=O)Br TS70971 [1,1,0,0,0,0|0,1,0]=3 622 B8R1.1 c1c(csc1C=O)Cl TS88146 [1,1,0,0,0,0|0,1,0]=3 623 B8R1.1 c1c(csc1Cl)C=O TS87564 [1,1,0,0,0,0|2,0,0]=4 624 B8R1.1 c1c(nc(s1)Br)C=O TS55176 [1,1,0,0,0,0|2,0,0]=4 625 B8R1.1 c1c(nc(s1)C=O)Br TS51392 [1,1,0,0,0,0|1,1,0]=4 626 B8R1.1 c1c(sc(n1)Br)C=O TS08343 [1,1,0,0,0,0|1,1,0]=4 627 B8R1.1 c1c(sc(n1)C=O)Br TS88563 [1,1,0,0,0,0|1,1,0]=4 628 B8R1.1 c1c(sc(n1)C=O)Cl TS88531 [1,1,0,0,0,0|1,1,0]=4 629 B8R1.1 c1c(sc(n1)Cl)C=O TS07944 [1,1,0,0,0,0|1,1,0]=4 630 B8R1.1 c1c(sc(n1)N)C=O TS00789 [1,1,0,0,0,0|1,1,0]=4 631 B8R1.1 c1cc(oc1C=O)Br TS71428 [1,1,0,0,0,0|0,0,0]=2 632 B8R1.1 c1cc(oc1C=O)I TS50041 [1,1,0,0,0,0|0,0,0]=2 633 B8R1.1 c1cc(sc1C=O)Br TS71469 [1,1,0,0,0,0|0,1,0]=3 634 B8R1.1 c1cc(sc1C=O)Cl TS60086 [1,1,0,0,0,0|0,1,0]=3 635 B8R1.1 c1cc(sc1C=O)Cl TS77528 [1,1,0,0,0,0|0,1,0]=3 636 B8R1.8 CCCc1ccco1 TS31836 [1,1,0,0,0,0|0,0,1]=3 637 B8R1.8 CCCc1cccs1 TS36171 [1,1,0,0,0,0|0,1,1]=4 638 B8R1.8 CCNc1cccs1 TS36245 [1,1,0,0,0,0|0,1,1]=4 639 B8R1.8 CNCc1ccco1 TS04251 [1,1,0,0,0,0|0,0,1]=3 640 B8R1.8 CNCc1ccco1 TS07391 [1,1,0,0,0,0|0,0,1]=3 641 B8R1.8 CNCc1cccs1 TS01562 [1,1,0,0,0,0|0,1,1]=4 642 B8R1.8 CNCc1cccs1 TS11775 [1,1,0,0,0,0|0,1,1]=4 643 B8R1.8 CNCc1ccno1 TS04292 [1,1,0,0,0,0|1,0,1]=4 644 B8R1.8 COCc1ccco1 TS31900 [1,1,0,0,0,0|0,0,1]=3 645 B8R1.8 CSCc1ccco1 TS05367 [1,1,0,0,0,0|0,0,1]=3 646 B8R1.8 c1cc([nH]c1)C=NO TS04195 [1,1,0,0,0,0|1,0,1]=4 647 B8R1.8 c1cc(oc1)C=NO TS04241 [1,1,0,0,0,0|0,0,1]=3 648 B8R1.8 c1cc(oc1)CCO TS31915 [1,1,0,0,0,0|0,0,1]=3 649 B8R1.8 c1cc(sc1)C=NO TS05263 [1,1,0,0,0,0|0,1,1]=4 650 B8R1.8 c1cc(sc1)CCBr TS51245 [1,1,0,0,0,0|0,1,1]=4 651 B8R1.8 c1cc(sc1)CCN TS46632 [1,1,0,0,0,0|0,1,1]=4 652 B8R1.8 c1cc(sc1)CCN TS65662 [1,1,0,0,0,0|0,1,1]=4 653 B8R1.8 c1cc(sc1)CCN TS93665 [1,1,0,0,0,0|0,1,1]=4 654 B8R1.8 c1cc(sc1)CCO TS65661 [1,1,0,0,0,0|0,1,1]=4 655 B8R1.8 c1cc(sc1)N=C=O TS02013 [1,1,0,0,0,0|0,1,1]=4 656 B8R1.8 c1coc(n1)CCN TS00111 [1,1,0,0,0,0|1,0,1]=4 657 B8R1.11 Cc1c(nc[nH]1)C=O TS31818 [1,1,0,0,0,0|2,0,0]=4 658 B8R1.11 Cc1c(scn1)C=O TS08697 [1,1,0,0,0,0|1,1,0]=4 659 B8R1.11 Cc1cc[nH]c1C=O TS31796 [1,1,0,0,0,0|1,0,0]=3 660 B8R1.11 Cc1ccsc1C=O TS70683 [1,1,0,0,0,0|0,1,0]=3 661 B8R1.11 Cn1c(ccn1)C=O TS16650 [1,1,0,0,0,0|2,0,0]=4 662 B8R1.11 Cn1cccc1C=O TS31795 [1,1,0,0,0,0|1,0,0]=3 663 B8R1.11 Cn1ccnc1C=O TS00052 [1,1,0,0,0,0|2,0,0]=4 664 B8R1.11 Cn1cncc1C=O TS00469 [1,1,0,0,0,0|2,0,0]=4 665 B8R1.11 c1c(c(cs1)Br)C=O TS09451 [1,1,0,0,0,0|2,0,0]=4 666 B8R1.11 c1c(c(n[nH]1)C=O)Cl TS36567 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.11 c1c[nH]c(c1Br)C=O TS90463 [1,1,0,0,0,0|1,0,0]=3 668 B8R1.11 c1c[nH]c(c1Cl)C=O TS88935 [1,1,0,0,0,0|1,0,0]=3 669 B8R1.11 c1coc(c1Br)C=O TS45892 [1,1,0,0,0,0|0,0,0]=2 670 B8R1.11 c1csc(c1Br)C=O TS60011 [1,1,0,0,0,0|0,1,0]=3 671 B8R1.11 c1csc(c1Cl)C=O TS02034 [1,1,0,0,0,0|0,1,0]=3 672 B8R1.11 c1nc(c(s1)C=O)Cl TS85466 [1,1,0,0,0,0|1,1,0]=4 673 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,1,0,0,0,1|1,0,0]=3 676 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,1,0,0,0,1|1,0,0]=3 677 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,1,0,0,0,1|1,0,0]=3 678 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,1,0,0,0,1|1,0,0]=3 679 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,1,0,0,0,1|1,0,0]=3 680 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,1,0,0,0,1|1,0,0]=3 681 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,1,0,0,0,1|1,0,0]=3 682 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,1,0,0,0,1|1,0,0]=3 683 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,1,0,0,0,1|1,0,0]=3 684 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [0,1,0,0,0,1|1,0,0]=3 685 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,1,0,0,0,1|1,0,0]=3 686 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [0,1,0,0,0,1|1,0,0]=3 687 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [0,1,0,0,0,1|1,0,0]=3 688 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [0,1,0,0,0,1|1,0,0]=3 689 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,1,0,0,0,1|1,0,0]=3 695 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,1,0,0,0,1|1,0,0]=3 701 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,1,0,0,0,1|1,0,0]=3 704 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.13 c1c(ncc(=O)[nH]1)C(=O)[O-] TS11486 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,1,0,0,0,1|1,0,0]=3 718 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,1,0,0,0,1|2,0,0]=4 756 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,1,0,0,0,1|2,0,0]=4 758 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.13 c1cc(nnc1C(=O)N)Cl TS41834 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [0,1,0,0,0,1|2,0,0]=4 765 B10R1.15 C=C(CO)c1ccncc1 TS36912 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.15 CC(=NN)c1ccccc1 TS05912 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.15 CC(=NO)c1ccccc1 TS36930 [0,1,0,0,0,1|1,0,1]=4 768 B10R1.15 CC(=NO)c1cccnc1 TS06046 [0,1,0,0,0,1|1,0,1]=4 769 B10R1.15 CC(=NO)c1ccncc1 TS06055 [0,1,0,0,0,1|1,0,1]=4 770 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,1,0,0,0,1|2,0,0]=4 771 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,1,0,0,0,1|2,0,0]=4 772 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,1,0,0,0,1|1,0,0]=3 773 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,1,0,0,0,1|1,0,0]=3 774 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,1,0,0,0,1|1,0,0]=3 775 B10R1.15 CCC(=O)c1ccncc1 TS36919 [0,1,0,0,0,1|1,0,0]=3 776 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,1,0,0,0,1|1,0,0]=3 777 B10R1.15 CN(C=O)c1ccccc1 TS36925 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.15 CN(C=O)c1ccccn1 TS06069 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.15 CN(c1ccccc1)N=O TS06063 [0,1,0,0,0,1|2,0,0]=4 780 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,1,0,0,0,1|1,0,0]=3 781 B10R1.15 CNC(=O)c1cccnc1 TS06060 [0,1,0,0,0,1|1,0,0]=3 782 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.15 COC(=N)c1ccccn1 TS02314 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.15 COC(=N)c1cnccn1 TS06178 [0,1,0,0,0,1|2,0,0]=4 785 B10R1.15 COC(=O)N1CC=CC=C1 TS06359 [0,1,0,0,0,1|2,0,0]=4 786 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,1,0,0,0,1|1,0,0]=3 787 B10R1.15 COC(=O)c1ccccn1 TS06161 [0,1,0,0,0,1|1,0,0]=3 788 B10R1.15 COC(=O)c1cccnc1 TS37100 [0,1,0,0,0,1|1,0,0]=3 789 B10R1.15 COC(=O)c1cccnn1 TS90030 [0,1,0,0,0,1|1,0,0]=3 790 B10R1.15 COC(=O)c1ccncc1 TS06163 [0,1,0,0,0,1|1,0,0]=3 791 B10R1.15 COC(=O)c1ccncn1 TS59823 [0,1,0,0,0,1|1,0,0]=3 792 B10R1.15 COC(=O)c1ccnnc1 TS90861 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.15 COC(=O)c1cncnc1 TS01558 [0,1,0,0,0,1|2,0,0]=4 794 B10R1.15 COC(=O)c1ncccn1 TS01557 [0,1,0,0,0,1|1,0,0]=3 795 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,1,0,0,0,1|2,0,0]=4 796 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,1,0,0,0,1|1,0,0]=3 797 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,1,0,0,0,1|1,0,0]=3 798 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [0,1,0,0,0,1|2,0,0]=4 799 B10R1.15 c1cc(cnc1)C(=O)NO TS37159 [0,1,0,0,0,1|2,0,0]=4 800 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [0,1,0,0,0,1|1,0,1]=4 801 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,1,0,0,0,1|1,0,1]=4 802 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [0,1,0,0,0,1|1,0,0]=3 803 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [0,1,0,0,0,1|1,0,0]=3 804 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,1,0,0,0,1|1,0,0]=3 805 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [0,1,0,0,0,1|1,0,0]=3 806 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,1,0,0,0,1|2,0,0]=4 809 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,1,0,0,0,1|1,0,0]=3 812 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,1,0,0,0,1|1,0,0]=3 813 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [0,1,0,0,0,1|2,0,0]=4 814 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [0,1,0,0,0,1|1,0,0]=3 815 B10R1.15 c1cnc(cn1)C(=O)NN TS37166 [0,1,0,0,0,1|2,0,0]=4 816 B10R1.15 c1cnccc1C(=O)CBr TS16896 [0,1,0,0,0,1|1,0,0]=3 817 B10R1.15 c1cnccc1C(=O)NN TS06172 [0,1,0,0,0,1|2,0,0]=4 818 B10R1.15 c1cncnc1C(=O)NN TS37167 [0,1,0,0,0,1|2,0,0]=4 819 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [0,1,0,0,0,1|2,0,0]=4 820 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [0,1,0,0,0,1|2,0,0]=4 821 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [0,1,0,0,0,1|2,0,0]=4 822 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [0,1,0,0,0,1|2,0,0]=4 823 B10R1.28 CS(=O)(=O)c1ncccn1 TS10970 [0,1,0,0,0,1|2,0,0]=4 824 B10R1.61 CC(=C)c1ccccc1N TS36780 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,1,0,0,0,1|1,0,0]=3 826 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,1,0,0,0,1|1,0,0]=3 827 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,1,0,0,0,1|1,0,0]=3 828 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,1,0,0,0,1|1,0,0]=3 829 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [0,1,0,0,0,1|1,0,0]=3 830 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [0,1,0,0,0,1|1,0,0]=3 831 B10R1.61 CC(=O)c1ccccc1Br TS54149 [0,1,0,0,0,1|1,0,0]=3 832 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [0,1,0,0,0,1|1,0,0]=3 833 B10R1.61 CC(=O)c1ccccc1F TS37171 [0,1,0,0,0,1|1,0,0]=3 834 B10R1.61 CC(=O)c1ccccc1I TS62238 [0,1,0,0,0,1|1,0,0]=3 835 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,1,0,0,0,1|1,0,0]=3 836 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,1,0,0,0,1|1,0,0]=3 837 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,1,0,0,0,1|1,0,0]=3 838 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,1,0,0,0,1|1,0,0]=3 839 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,1,0,0,0,1|1,0,0]=3 840 B10R1.61 CC(=O)c1ccncc1Br TS18937 [0,1,0,0,0,1|1,0,0]=3 841 B10R1.61 CC(=O)c1ccncc1Br TS76034 [0,1,0,0,0,1|1,0,0]=3 842 B10R1.61 CC(=O)c1ccncc1F TS08156 [0,1,0,0,0,1|1,0,0]=3 843 B10R1.61 CC(=O)c1ccncc1N TS06058 [0,1,0,0,0,1|1,0,0]=3 844 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,1,0,0,0,1|1,0,0]=3 845 B10R1.61 CS(=O)c1ccccc1O TS41630 [0,1,0,0,0,1|2,0,0]=4 846 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [0,1,0,0,0,1|2,0,0]=4 847 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [0,1,0,0,0,1|2,0,0]=4 848 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [0,1,0,0,0,1|1,0,0]=3 849 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [0,1,0,0,0,1|2,0,0]=4 850 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,1,0,0,0,1|2,0,0]=4 851 B10R1.61 Cc1ccccc1C(=O)C TS36852 [0,1,0,0,0,1|1,0,0]=3 852 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [0,1,0,0,0,1|2,0,0]=4 853 B10R1.61 Cc1ccccc1C(=O)N TS36917 [0,1,0,0,0,1|2,0,0]=4 854 B10R1.61 Cc1ccccc1C(=O)O TS01622 [0,1,0,0,0,1|2,0,0]=4 855 B10R1.61 Cc1cccnc1C(=O)O TS37085 [0,1,0,0,0,1|2,0,0]=4 856 B10R1.61 Cc1cccnc1C(=O)O TS60354 [0,1,0,0,0,1|2,0,0]=4 857 B10R1.61 Cc1ccncc1C(=O)O TS39766 [0,1,0,0,0,1|2,0,0]=4 858 B10R1.61 Cc1ccncc1C(=O)O TS71235 [0,1,0,0,0,1|2,0,0]=4 859 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [0,1,0,0,0,1|2,0,0]=4 860 B10R1.61 Cc1cnccc1C(=O)N TS02849 [0,1,0,0,0,1|2,0,0]=4 861 B10R1.61 Cc1cnccc1C(=O)O TS06159 [0,1,0,0,0,1|2,0,0]=4 862 B10R1.61 Cc1cnccc1C(=O)O TS86033 [0,1,0,0,0,1|2,0,0]=4 863 B10R1.61 c1c(c(ncn1)C(=O)O)Br TS71448 [0,1,0,0,0,1|2,0,0]=4 864 B10R1.61 c1c(c(ncn1)C(=O)O)N TS71388 [0,1,0,0,0,1|2,0,0]=4 865 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [0,1,0,0,0,1|2,0,0]=4 866 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [0,1,0,0,0,1|2,0,0]=4 867 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [0,1,0,0,0,1|2,0,0]=4 868 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [0,1,0,0,0,1|2,0,0]=4 869 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [0,1,0,0,0,1|2,0,0]=4 870 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [0,1,0,0,0,1|2,0,0]=4 871 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [0,1,0,0,0,1|2,0,0]=4 872 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [0,1,0,0,0,1|2,0,0]=4 873 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [0,1,0,0,0,1|2,0,0]=4 874 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [0,1,0,0,0,1|2,0,0]=4 875 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [0,1,0,0,0,1|2,0,0]=4 876 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [0,1,0,0,0,1|2,0,0]=4 877 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [0,1,0,0,0,1|2,0,0]=4 878 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [0,1,0,0,0,1|2,0,0]=4 879 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [0,1,0,0,0,1|2,0,0]=4 880 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [0,1,0,0,0,1|2,0,0]=4 881 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [0,1,0,0,0,1|2,0,0]=4 882 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [0,1,0,0,0,1|2,0,0]=4 883 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [0,1,0,0,0,1|2,0,0]=4 884 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [0,1,0,0,0,1|2,0,0]=4 885 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [0,1,0,0,0,1|2,0,0]=4 886 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [0,1,0,0,0,1|2,0,0]=4 887 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [0,1,0,0,0,1|2,0,0]=4 888 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [0,1,0,0,0,1|2,0,0]=4 889 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [0,1,0,0,0,1|2,0,0]=4 890 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [0,1,0,0,0,1|2,0,0]=4 891 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [0,1,0,0,0,1|2,0,0]=4 892 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [0,1,0,0,0,1|2,0,0]=4 893 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [0,1,0,0,0,1|2,0,0]=4 894 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [0,1,0,0,0,1|2,0,0]=4 895 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [0,1,0,0,0,1|2,0,0]=4 896 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [0,1,0,0,0,1|2,0,0]=4 897 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [0,1,0,0,0,1|2,0,0]=4 898 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [0,1,0,0,0,1|2,0,0]=4 899 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [0,1,0,0,0,1|2,0,0]=4 900 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [0,1,0,0,0,1|2,0,0]=4 901 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [0,1,0,0,0,1|2,0,0]=4 902 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [0,1,0,0,0,1|2,0,0]=4 903 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [0,1,0,0,0,1|2,0,0]=4 904 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [0,1,0,0,0,1|2,0,0]=4 905 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [0,1,0,0,0,1|2,0,0]=4 906 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [0,1,0,0,0,1|2,0,0]=4 907 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [0,1,0,0,0,1|2,0,0]=4 908 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [0,1,0,0,0,1|2,0,0]=4 909 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [0,1,0,0,0,1|2,0,0]=4 910 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [0,1,0,0,0,1|2,0,0]=4 911 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [0,1,0,0,0,1|2,0,0]=4 912 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [0,1,0,0,0,1|2,0,0]=4 913 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [0,1,0,0,0,1|2,0,0]=4 914 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [0,1,0,0,0,1|2,0,0]=4 915 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [0,1,0,0,0,1|2,0,0]=4 916 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [0,1,0,0,0,1|2,0,0]=4 917 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [0,1,0,0,0,1|2,0,0]=4 918 B10R1.61 c1cnc(c(n1)C(=O)N)O TS60014 [0,1,0,0,0,1|2,0,0]=4 919 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [0,1,0,0,0,1|2,0,0]=4 920 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [0,1,0,0,0,1|2,0,0]=4 921 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [0,1,0,0,0,1|2,0,0]=4 922 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [0,1,0,0,0,1|2,0,0]=4 923 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [0,1,0,0,0,1|2,0,0]=4 924 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [0,1,0,0,0,1|2,0,0]=4 925 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [0,1,0,0,0,1|2,0,0]=4 926 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [0,1,0,0,0,1|2,0,0]=4 927 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [0,1,0,0,0,1|2,0,0]=4 928 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [0,1,0,0,0,1|2,0,0]=4 929 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [0,1,0,0,0,1|2,0,0]=4 930 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [0,1,0,0,0,1|2,0,0]=4 931 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [0,1,0,0,0,1|2,0,0]=4 932 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [0,1,0,0,0,1|2,0,0]=4 933 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [0,1,0,0,0,1|2,0,0]=4 934 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [0,1,0,0,0,1|2,0,0]=4 935 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [0,1,0,0,0,1|2,0,0]=4 936 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [0,1,0,0,0,1|2,0,0]=4 937 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [0,1,0,0,0,1|2,0,0]=4 938 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [0,1,0,0,0,1|2,0,0]=4 939 B10R1.61 c1cnnc(c1N)C(=O)O TS32795 [0,1,0,0,0,1|2,0,0]=4 940 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,1,0,0,0,1|1,0,0]=3 941 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,1,0,0,0,1|1,0,0]=3 942 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [0,1,0,0,0,1|1,0,0]=3 943 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [0,1,0,0,0,1|1,0,0]=3 944 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [0,1,0,0,0,1|1,0,0]=3 945 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [0,1,0,0,0,1|1,0,0]=3 946 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [0,1,0,0,0,1|1,0,0]=3 947 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [0,1,0,0,0,1|1,0,0]=3 948 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,1,0,0,0,1|1,0,0]=3 949 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [0,1,0,0,0,1|1,0,0]=3 950 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [0,1,0,0,0,1|1,0,0]=3 951 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [0,1,0,0,0,1|1,0,0]=3 952 B10R1.113 CC(=O)c1ccnc(n1)N TS06171 [0,1,0,0,0,1|1,0,0]=3 953 B10R1.113 CN1CC(=CC=C1)C(=O)N TS68775 [0,1,0,0,0,1|2,0,0]=4 954 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [0,1,0,0,0,1|2,0,0]=4 955 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,1,0,0,0,1|1,0,0]=3 956 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,1,0,0,0,1|2,0,0]=4 957 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [0,1,0,0,0,1|2,0,0]=4 958 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [0,1,0,0,0,1|2,0,0]=4 959 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [0,1,0,0,0,1|2,0,0]=4 960 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [0,1,0,0,0,1|2,0,0]=4 961 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,1,0,0,0,1|1,0,0]=3 962 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,1,0,0,0,1|2,0,0]=4 963 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,1,0,0,0,1|2,0,0]=4 964 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,1,0,0,0,1|2,0,0]=4 965 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,1,0,0,0,1|1,0,0]=3 966 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,1,0,0,0,1|1,0,0]=3 967 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,1,0,0,0,1|2,0,0]=4 968 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [0,1,0,0,0,1|2,0,0]=4 969 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [0,1,0,0,0,1|2,0,0]=4 970 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [0,1,0,0,0,1|2,0,0]=4 971 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [0,1,0,0,0,1|2,0,0]=4 972 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [0,1,0,0,0,1|2,0,0]=4 973 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [0,1,0,0,0,1|2,0,0]=4 974 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [0,1,0,0,0,1|2,0,0]=4 975 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [0,1,0,0,0,1|2,0,0]=4 976 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [0,1,0,0,0,1|2,0,0]=4 977 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [0,1,0,0,0,1|2,0,0]=4 978 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [0,1,0,0,0,1|2,0,0]=4 979 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,1,0,0,0,1|2,0,0]=4 980 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [0,1,0,0,0,1|2,0,0]=4 981 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [0,1,0,0,0,1|2,0,0]=4 982 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [0,1,0,0,0,1|2,0,0]=4 983 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [0,1,0,0,0,1|2,0,0]=4 984 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [0,1,0,0,0,1|2,0,0]=4 985 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [0,1,0,0,0,1|2,0,0]=4 986 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,1,0,0,0,1|2,0,0]=4 987 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [0,1,0,0,0,1|2,0,0]=4 988 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [0,1,0,0,0,1|2,0,0]=4 989 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [0,1,0,0,0,1|2,0,0]=4 990 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [0,1,0,0,0,1|2,0,0]=4 991 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [0,1,0,0,0,1|2,0,0]=4 992 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [0,1,0,0,0,1|2,0,0]=4 993 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [0,1,0,0,0,1|2,0,0]=4 994 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [0,1,0,0,0,1|2,0,0]=4 995 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [0,1,0,0,0,1|2,0,0]=4 996 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [0,1,0,0,0,1|2,0,0]=4 997 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [0,1,0,0,0,1|2,0,0]=4 998 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [0,1,0,0,0,1|2,0,0]=4 999 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [0,1,0,0,0,1|2,0,0]=4 1000 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [0,1,0,0,0,1|2,0,0]=4 1001 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [0,1,0,0,0,1|2,0,0]=4 1002 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [0,1,0,0,0,1|2,0,0]=4 1003 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [0,1,0,0,0,1|2,0,0]=4 1004 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [0,1,0,0,0,1|2,0,0]=4 1005 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [0,1,0,0,0,1|2,0,0]=4 1006 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [0,1,0,0,0,1|2,0,0]=4 1007 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [0,1,0,0,0,1|2,0,0]=4 1008 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [0,1,0,0,0,1|2,0,0]=4 1009 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [0,1,0,0,0,1|2,0,0]=4 1010 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [0,1,0,0,0,1|2,0,0]=4 1011 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [0,1,0,0,0,1|2,0,0]=4 1012 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [0,1,0,0,0,1|1,0,0]=3 1013 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [0,1,0,0,0,1|2,0,0]=4 1014 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [0,1,0,0,0,1|2,0,0]=4 1015 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [0,1,0,0,0,1|2,0,0]=4 1016 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [0,1,0,0,0,1|2,0,0]=4 1017 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [0,1,0,0,0,1|2,0,0]=4 1018 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [0,1,0,0,0,1|2,0,0]=4 1019 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [0,1,0,0,0,1|2,0,0]=4 1020 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,1,0,0,0,1|2,0,0]=4 1021 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,1,0,0,0,1|2,0,0]=4 1022 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,1,0,0,0,1|2,0,0]=4 1023 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,1,0,0,0,1|2,0,0]=4 1024 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,1,0,0,0,1|2,0,0]=4 1025 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,1,0,0,0,1|2,0,0]=4 1026 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [0,1,0,0,0,1|2,0,0]=4 1027 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [0,1,0,0,0,1|2,0,0]=4 1028 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,1,0,0,0,1|2,0,0]=4 1029 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [0,1,0,0,0,1|2,0,0]=4 1030 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [0,1,0,0,0,1|2,0,0]=4 1031 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [0,1,0,0,0,1|2,0,0]=4 1032 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [0,1,0,0,0,1|2,0,0]=4 1033 B10R1.113 c1cnc(nc1C(=O)N)Cl TS88415 [0,1,0,0,0,1|2,0,0]=4 1034 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [0,1,0,0,0,1|2,0,0]=4 1035 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [0,1,0,0,0,1|1,0,0]=3 1036 B10R1.23 CN(C(=O)c1ccco1)O TS37472 [0,1,0,0,0,1|1,0,1]=4 1037 B10R1.23 c1cc(oc1)C(=O)C(=O)N TS06348 [0,1,0,0,0,1|1,0,0]=3 1038 B10R1.23 c1cc(oc1)C(=O)C(=O)O TS02176 [0,1,0,0,0,1|1,0,0]=3 1039 B10R1.23 c1cc(oc1)C(C(=O)O)N TS06573 [0,1,0,0,0,1|1,0,0]=3 1040 B10R1.23 c1cc(sc1)C(=O)C(=O)O TS10665 [0,1,0,0,0,1|1,1,0]=4 1041 B10R1.23 c1cc(sc1)C(C(=O)O)N TS41779 [0,1,0,0,0,1|1,1,0]=4 1042 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N TS41781 [0,1,0,0,0,1|1,1,0]=4 1043 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N TS08075 [0,1,0,0,0,1|1,1,0]=4 1044 B10R1.27 COC(=O)Cc1cccs1 TS01563 [0,1,0,0,0,1|0,1,0]=3 1045 B10R1.27 COC(=O)Cc1ccsc1 TS10692 [0,1,0,0,0,1|2,0,0]=4 1046 B10R1.54 CC(=O)Nc1ccc(s1)Br TS22694 [0,1,0,0,0,1|0,1,0]=3 1047 B10R1.54 CC(=O)Nc1ccc(s1)Cl TS13763 [0,1,0,0,0,1|0,1,0]=3 1048 B10R1.54 CC(=O)Nc1ncc(s1)Br TS47340 [0,1,0,0,0,1|1,1,0]=4 1049 B10R1.54 CC(=O)Nc1ncc(s1)Cl TS46191 [0,1,0,0,0,1|1,1,0]=4 1050 B10R1.54 Cc1ccc(o1)CN(C)C TS37308 [0,1,0,0,0,1|2,0,0]=4 1051 B10R1.54 Cc1csc(n1)NC(=O)C TS10706 [0,1,0,0,0,1|1,1,0]=4 1052 B10R1.64 Cn1cccc1CC(=O)O TS47003 [0,1,0,0,0,1|2,0,0]=4 1053 B10R1.9 COC(c1ccco1)OC TS06655 [0,2,0,0,0,0|0,0,2]=4 1054 B10R1.11 C=COC(=O)c1ccco1 TS06233 [0,2,0,0,0,0|0,0,1]=3 1055 B10R1.11 CC(=NOC)c1cccs1 TS10593 [0,2,0,0,0,0|0,1,1]=4 1056 B10R1.11 CCCC(=O)c1ccco1 TS06270 [0,2,0,0,0,0|0,0,0]=2 1057 B10R1.11 CCCC(=O)c1cccs1 TS10473 [0,2,0,0,0,0|0,1,0]=3 1058 B10R1.11 CCCC(c1ccco1)O TS37386 [0,2,0,0,0,0|0,0,2]=4 1059 B10R1.11 CCOC(=O)c1[nH]ccn1 TS64891 [0,2,0,0,0,0|2,0,0]=4 1060 B10R1.11 CCOC(=O)c1c[nH]cn1 TS55896 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.11 CCOC(=O)c1cc[nH]n1 TS56156 [0,2,0,0,0,0|2,0,0]=4 1062 B10R1.11 CCOC(=O)c1ccc[nH]1 TS55898 [0,2,0,0,0,0|1,0,0]=3 1063 B10R1.11 CCOC(=O)c1ccco1 TS06431 [0,2,0,0,0,0|0,0,0]=2 1064 B10R1.11 CCOC(=O)c1cccs1 TS74499 [0,2,0,0,0,0|0,1,0]=3 1065 B10R1.11 CCOC(=O)c1ccoc1 TS06430 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.11 CCOC(=O)c1ccon1 TS86639 [0,2,0,0,0,0|2,0,0]=4 1067 B10R1.11 CCOC(=O)c1ccsc1 TS41625 [0,2,0,0,0,0|2,0,0]=4 1068 B10R1.11 CCOC(=O)c1cnco1 TS64893 [0,2,0,0,0,0|1,0,0]=3 1069 B10R1.11 CCOC(=O)c1cncs1 TS55510 [0,2,0,0,0,0|1,1,0]=4 1070 B10R1.11 CCOC(=O)c1cocn1 TS06565 [0,2,0,0,0,0|2,0,0]=4 1071 B10R1.11 CCOC(=O)c1cscn1 TS01480 [0,2,0,0,0,0|2,0,0]=4 1072 B10R1.11 CCOC(=O)c1ncco1 TS06570 [0,2,0,0,0,0|1,0,0]=3 1073 B10R1.11 c1cc(oc1)C(=O)CC#N TS05974 [0,2,0,0,0,0|0,0,0]=2 1074 B10R1.11 c1cc(oc1)C(=O)N=C=S TS41265 [0,2,0,0,0,0|0,0,1]=3 1075 B10R1.11 c1cc(sc1)C(=O)CC#N TS10061 [0,2,0,0,0,0|0,1,0]=3 1076 B10R1.11 c1cc(sc1)C(=O)CC#N TS45765 [0,2,0,0,0,0|0,1,0]=3 1077 B10R1.11 c1cscc1C(=O)CC#N TS86030 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [0,2,0,0,0,0|0,0,0]=2 1079 B10R1.14 COC(=O)c1cc(c[nH]1)Br TS56284 [0,2,0,0,0,0|1,0,0]=3 1080 B10R1.14 COC(=O)c1cc(c[nH]1)I TS28133 [0,2,0,0,0,0|1,0,0]=3 1081 B10R1.14 COC(=O)c1cc(cs1)Br TS87681 [0,2,0,0,0,0|0,1,0]=3 1082 B10R1.14 COC(=O)c1cc(cs1)Cl TS89093 [0,2,0,0,0,0|0,1,0]=3 1083 B10R1.14 COC(=O)c1cc(cs1)N TS65120 [0,2,0,0,0,0|0,1,0]=3 1084 B10R1.14 COC(=O)c1cc(no1)O TS59694 [0,2,0,0,0,0|1,0,0]=3 1085 B10R1.14 COC(=O)c1cc(sc1)Br TS88321 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.14 COC(=O)c1cc(sc1)Cl TS90596 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,2,0,0,0,0|0,0,0]=2 1088 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [0,2,0,0,0,0|0,1,0]=3 1089 B10R1.14 COC(=O)c1cnc(s1)Br TS93874 [0,2,0,0,0,0|1,1,0]=4 1090 B10R1.14 COC(=O)c1cnc(s1)N TS08549 [0,2,0,0,0,0|1,1,0]=4 1091 B10R1.14 COC(=O)c1csc(n1)Br TS23389 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.14 COC(=O)c1csc(n1)Br TS85380 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.14 COC(=O)c1csc(n1)Cl TS56249 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.14 COC(=O)c1csc(n1)N TS08548 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.14 COC(=O)c1ncc(s1)N TS92889 [0,2,0,0,0,0|1,1,0]=4 1096 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [0,2,0,0,0,0|1,0,0]=3 1097 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.14 Cc1cc(no1)C(=O)OC TS37467 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [0,2,0,0,0,0|0,1,0]=3 1100 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,2,0,0,0,0|0,0,0]=2 1101 B10R1.14 Cc1ccc(s1)C(=O)NN TS10710 [0,2,0,0,0,0|1,1,0]=4 1102 B10R1.14 Cc1nc(co1)C(=O)OC TS06566 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.14 Cc1nc(co1)C(=O)OC TS41497 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [0,2,0,0,0,0|1,0,0]=3 1105 B10R1.14 Cn1cc(nc1)C(=O)OC TS33076 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.14 c1cc(oc1C(=O)NN)Br TS19887 [0,2,0,0,0,0|1,0,0]=3 1107 B10R1.14 c1cc(sc1C(=O)CBr)Br TS00842 [0,2,0,0,0,0|0,1,0]=3 1108 B10R1.14 c1cc(sc1C(=O)CBr)Cl TS59946 [0,2,0,0,0,0|0,1,0]=3 1109 B10R1.14 c1cc(sc1C(=O)CCl)Br TS26406 [0,2,0,0,0,0|0,1,0]=3 1110 B10R1.14 c1cc(sc1C(=O)NN)Br TS49903 [0,2,0,0,0,0|1,1,0]=4 1111 B10R1.14 c1cc(sc1C(=O)NN)Cl TS46192 [0,2,0,0,0,0|1,1,0]=4 1112 B10R1.149 COC(=O)c1c(c[nH]n1)N TS88806 [0,2,0,0,0,0|2,0,0]=4 1113 B10R1.149 COC(=O)c1c(cc[nH]1)Br TS92650 [0,2,0,0,0,0|1,0,0]=3 1114 B10R1.149 COC(=O)c1c(cc[nH]1)Cl TS91006 [0,2,0,0,0,0|1,0,0]=3 1115 B10R1.149 COC(=O)c1c(cco1)N TS89296 [0,2,0,0,0,0|0,0,0]=2 1116 B10R1.149 COC(=O)c1c(ccs1)Br TS56270 [0,2,0,0,0,0|0,1,0]=3 1117 B10R1.149 COC(=O)c1c(ccs1)Cl TS46190 [0,2,0,0,0,0|0,1,0]=3 1118 B10R1.149 COC(=O)c1c(ccs1)N TS08569 [0,2,0,0,0,0|0,1,0]=3 1119 B10R1.149 COC(=O)c1c(ccs1)O TS10959 [0,2,0,0,0,0|0,1,0]=3 1120 B10R1.149 COC(=O)c1c(ncs1)N TS70927 [0,2,0,0,0,0|1,1,0]=4 1121 B10R1.149 COC(=O)c1c(scn1)Br TS56307 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.149 COC(=O)c1cccn1N TS37356 [0,2,0,0,0,0|1,0,0]=3 1123 B10R1.149 COC(=O)c1ccsc1N TS08550 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.149 COC(=O)c1cscc1N TS41782 [0,2,0,0,0,0|2,0,0]=4 1125 B10R1.149 COC(=O)c1cscc1N TS56281 [0,2,0,0,0,0|2,0,0]=4 1126 B10R1.149 Cc1c(cco1)C(=O)OC TS06434 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.149 Cc1c(ccs1)C(=O)OC TS39900 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.149 Cc1c(nco1)C(=O)OC TS37468 [0,2,0,0,0,0|2,0,0]=4 1129 B10R1.149 Cc1c(scn1)C(=O)OC TS16575 [0,2,0,0,0,0|1,1,0]=4 1130 B10R1.149 Cc1cc[nH]c1C(=O)OC TS89995 [0,2,0,0,0,0|1,0,0]=3 1131 B10R1.149 Cc1ccoc1C(=O)OC TS06432 [0,2,0,0,0,0|0,0,0]=2 1132 B10R1.149 Cc1ccsc1C(=O)OC TS56278 [0,2,0,0,0,0|0,1,0]=3 1133 B10R1.149 Cn1cccc1C(=O)OC TS37280 [0,2,0,0,0,0|1,0,0]=3 1134 B10R1.149 Cn1ccnc1C(=O)OC TS89892 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.149 Cn1cncc1C(=O)OC TS06437 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.149 c1[nH]c(c(n1)C(=O)CN)N TS90993 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.149 c1csc(c1Br)C(=O)CBr TS34687 [0,2,0,0,0,0|0,1,0]=3 1138 B10R1.55 CS(=O)(=O)c1ccc(s1)Br TS86132 [0,2,0,0,0,0|1,1,0]=4 1139 B10R1.31 CC(=O)c1ccc(s1)C#N TS10062 [0,2,0,0,0,0|0,1,0]=3 1140 B10R1.31 CC(=O)c1ccc(s1)C=O TS41389 [0,2,0,0,0,0|0,1,0]=3 1141 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [0,2,0,0,0,0|1,0,0]=3 1142 B10R1.31 CCc1ccc(s1)C(=O)C TS41403 [0,2,0,0,0,0|0,1,0]=3 1143 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [0,2,0,0,0,0|1,1,0]=4 1144 B10R1.31 CN(C)c1ccc(o1)C=O TS06369 [0,2,0,0,0,0|2,0,0]=4 1145 B10R1.31 COc1cc(on1)C(=O)O TS39312 [0,2,0,0,0,0|2,0,0]=4 1146 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [0,2,0,0,0,0|1,1,0]=4 1147 B10R1.31 c1c(c[nH]c1C(=O)O)C=O TS06351 [0,2,0,0,0,0|2,0,0]=4 1148 B10R1.31 c1cc([nH]c1C=O)C(=O)O TS06350 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.31 c1cc(oc1C#N)[N+](=O)[O-] TS06214 [0,2,0,0,0,0|2,0,0]=4 1150 B10R1.31 c1cc(oc1C=O)C(=O)O TS39776 [0,2,0,0,0,0|1,0,0]=3 1151 B10R1.31 c1cc(oc1C=O)[N+](=O)[O-] TS55492 [0,2,0,0,0,0|2,0,0]=4 1152 B10R1.31 c1cc(oc1C=O)[N+](=O)[O-] TS57835 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [0,2,0,0,0,0|1,0,0]=3 1154 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [0,2,0,0,0,0|1,0,0]=3 1155 B10R1.31 c1cc(oc1CO)[N+](=O)[O-] TS40048 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.31 c1cc(sc1C=O)C(=O)O TS71557 [0,2,0,0,0,0|1,1,0]=4 1157 B10R1.58 CC(=O)c1cc(c(s1)Cl)Cl TS51957 [0,2,0,0,0,0|0,1,0]=3 1158 B10R1.58 Cc1cc(oc1C)C(=O)C TS06264 [0,2,0,0,0,0|0,0,0]=2 1159 B10R1.58 Cc1cc(oc1C)C(=O)O TS65110 [0,2,0,0,0,0|1,0,0]=3 1160 B10R1.58 Cc1cc(sc1C)C(=O)O TS10697 [0,2,0,0,0,0|1,1,0]=4 1161 B10R1.58 c1c(c(oc1C(=O)O)Br)Br TS73940 [0,2,0,0,0,0|1,0,0]=3 1162 B10R1.58 c1c(c(sc1C(=O)O)Br)Br TS54880 [0,2,0,0,0,0|1,1,0]=4 1163 B10R1.58 c1c(c(sc1C(=O)O)Br)N TS23388 [0,2,0,0,0,0|1,1,0]=4 1164 B10R1.58 c1c(c(sc1C(=O)O)Cl)Cl TS18406 [0,2,0,0,0,0|1,1,0]=4 1165 B10R1.59 CC(=O)c1cc(sc1Cl)Cl TS51956 [0,2,0,0,0,0|2,0,0]=4 1166 B10R1.59 CC1=CC(=O)N(C1)C(=O)C TS06361 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.59 Cc1c(nc(o1)C)C(=O)C TS08136 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.59 Cc1c(oc(n1)C)C(=O)C TS06376 [0,2,0,0,0,0|1,0,0]=3 1169 B10R1.59 Cc1c(oc(n1)C)C(=O)O TS06572 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.59 Cc1c(sc(n1)C)C(=O)C TS10596 [0,2,0,0,0,0|1,1,0]=4 1171 B10R1.59 Cc1c(sc(n1)N)C(=O)C TS47409 [0,2,0,0,0,0|1,1,0]=4 1172 B10R1.59 Cc1cc([nH]c1C(=O)C)C TS37113 [0,2,0,0,0,0|1,0,0]=3 1173 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.59 Cc1cc(c(o1)C)C(=O)C TS06252 [0,2,0,0,0,0|2,0,0]=4 1175 B10R1.59 Cc1cc(c(s1)C)C(=O)C TS10466 [0,2,0,0,0,0|2,0,0]=4 1176 B10R1.59 Cc1cc(n(n1)C)C(=O)C TS37182 [0,2,0,0,0,0|2,0,0]=4 1177 B10R1.194 Cc1c(c[nH]c1Br)C(=O)C TS38192 [0,2,0,0,0,0|2,0,0]=4 1178 B10R1.194 Cc1c(csc1C(=O)Cl)Br TS26407 [0,2,0,0,0,0|1,1,0]=4 1179 B10R1.194 Cc1c(csc1C(=O)O)Br TS49901 [0,2,0,0,0,0|1,1,0]=4 1180 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.194 Cc1csc(c1Cl)C(=O)Cl TS51955 [0,2,0,0,0,0|1,1,0]=4 1182 B10R1.194 c1c(c(c([nH]1)C(=O)O)F)F TS89314 [0,2,0,0,0,0|2,0,0]=4 1183 B10R1.39 CCc1ccsc1C(=O)O TS41626 [0,2,0,0,0,0|1,1,0]=4 1184 B10R1.39 CCn1cccc1C(=O)C TS37128 [0,2,0,0,0,0|1,0,0]=3 1185 B10R1.39 c1csc(c1C#N)C(=O)O TS41266 [0,2,0,0,0,0|1,1,0]=4 1186 B10R1.192 Cc1c[nH]c(c1C(=O)C)C TS02615 [0,2,0,0,0,0|2,0,0]=4 1187 B8R1.4 Cc1cc(ccn1)O TS03105 [0,0,1,1,0,0|2,0,0]=4 1188 B8R1.4 Cc1cc(cnc1)O TS70616 [0,0,1,1,0,0|2,0,0]=4 1189 B8R1.4 Cc1cccc(c1)Br TS39711 [0,0,1,1,0,0|2,0,0]=4 1190 B8R1.4 Cc1cccc(c1)C TS04101 [0,0,1,1,0,0|2,0,0]=4 1191 B8R1.4 Cc1cccc(c1)Cl TS36194 [0,0,1,1,0,0|2,0,0]=4 1192 B8R1.4 Cc1cccc(c1)F TS31827 [0,0,1,1,0,0|2,0,0]=4 1193 B8R1.4 Cc1cccc(c1)I TS49342 [0,0,1,1,0,0|2,0,0]=4 1194 B8R1.4 Cc1cccc(c1)N TS04111 [0,0,1,1,0,0|2,0,0]=4 1195 B8R1.4 Cc1cccc(c1)N TS40126 [0,0,1,1,0,0|2,0,0]=4 1196 B8R1.4 Cc1cccc(c1)O TS31767 [0,0,1,1,0,0|1,0,0]=3 1197 B8R1.4 Cc1cccc(c1)S TS05038 [0,0,1,1,0,0|1,1,0]=4 1198 B8R1.4 Cc1cccc(n1)Br TS08371 [0,0,1,1,0,0|2,0,0]=4 1199 B8R1.4 Cc1cccc(n1)Br TS94756 [0,0,1,1,0,0|2,0,0]=4 1200 B8R1.4 Cc1cccc(n1)C TS60248 [0,0,1,1,0,0|2,0,0]=4 1201 B8R1.4 Cc1cccc(n1)Cl TS00936 [0,0,1,1,0,0|2,0,0]=4 1202 B8R1.4 Cc1cccc(n1)F TS55370 [0,0,1,1,0,0|2,0,0]=4 1203 B8R1.4 Cc1cccc(n1)I TS59623 [0,0,1,1,0,0|2,0,0]=4 1204 B8R1.4 Cc1cccc(n1)N TS47459 [0,0,1,1,0,0|2,0,0]=4 1205 B8R1.4 Cc1cccc(n1)O TS01270 [0,0,1,1,0,0|1,0,0]=3 1206 B8R1.4 Cc1cccc(n1)S TS05106 [0,0,1,1,0,0|1,1,0]=4 1207 B8R1.4 Cc1ccnc(c1)O TS01045 [0,0,1,1,0,0|2,0,0]=4 1208 B8R1.4 Cc1ccnc(n1)O TS01046 [0,0,1,1,0,0|2,0,0]=4 1209 B8R1.4 Cc1cncc(n1)O TS01059 [0,0,1,1,0,0|2,0,0]=4 1210 B8R1.4 Cc1nccc(n1)O TS03106 [0,0,1,1,0,0|2,0,0]=4 1211 B8R1.4 c1cc(cc(c1)Br)O TS65958 [0,0,1,1,0,0|1,0,1]=4 1212 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [0,0,1,1,0,0|1,0,1]=4 1213 B8R1.4 c1cc(cc(c1)F)O TS70601 [0,0,1,1,0,0|1,0,1]=4 1214 B8R1.4 c1cc(cc(c1)I)O TS49693 [0,0,1,1,0,0|1,0,1]=4 1215 B8R1.4 c1cc(cc(c1)O)N TS07147 [0,0,1,1,0,0|1,0,1]=4 1216 B8R1.4 c1cc(cc(c1)O)N TS39704 [0,0,1,1,0,0|1,0,1]=4 1217 B8R1.4 c1cc(cc(c1)O)O TS04191 [0,0,1,1,0,0|0,0,2]=4 1218 B8R1.4 c1cc(cc(c1)S)O TS00159 [0,0,1,1,0,0|0,1,1]=4 1219 B8R1.4 c1cc(cn(=O)c1)O TS04234 [0,0,1,1,0,0|1,0,1]=4 1220 B8R1.4 c1cc(nc(c1)Br)O TS08364 [0,0,1,1,0,0|2,0,0]=4 1221 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [0,0,1,1,0,0|2,0,0]=4 1222 B8R1.4 c1cc(nc(c1)F)O TS32004 [0,0,1,1,0,0|2,0,0]=4 1223 B8R1.4 c1cc(nc(c1)O)N TS00808 [0,0,1,1,0,0|2,0,0]=4 1224 B8R1.4 c1cc(nc(c1)O)O TS07388 [0,0,1,1,0,0|1,0,1]=4 1225 B8R1.4 c1cc(nc(c1)O)O TS47313 [0,0,1,1,0,0|1,0,1]=4 1226 B8R1.22 c1cccc(=O)cc1 TS04084 [0,0,1,1,0,0|1,0,1]=4 1227 B8R1.5 Cc1c(cccn1)Br TS65908 [0,0,1,1,0,0|2,0,0]=4 1228 B8R1.5 Cc1c(cccn1)Cl TS65978 [0,0,1,1,0,0|2,0,0]=4 1229 B8R1.5 Cc1c(cccn1)F TS70573 [0,0,1,1,0,0|2,0,0]=4 1230 B8R1.5 Cc1c(cccn1)I TS02809 [0,0,1,1,0,0|2,0,0]=4 1231 B8R1.5 Cc1c(cccn1)N TS31778 [0,0,1,1,0,0|2,0,0]=4 1232 B8R1.5 Cc1c(cccn1)O TS87617 [0,0,1,1,0,0|1,0,0]=3 1233 B8R1.5 Cc1c(nccn1)O TS55386 [0,0,1,1,0,0|2,0,0]=4 1234 B8R1.5 Cc1ccc[nH]c1=O TS55401 [0,0,1,1,0,0|2,0,0]=4 1235 B8R1.5 Cc1ccccc1Br TS00024 [0,0,1,1,0,0|2,0,0]=4 1236 B8R1.5 Cc1ccccc1C TS04099 [0,0,1,1,0,0|2,0,0]=4 1237 B8R1.5 Cc1ccccc1Cl TS36192 [0,0,1,1,0,0|2,0,0]=4 1238 B8R1.5 Cc1ccccc1F TS31828 [0,0,1,1,0,0|2,0,0]=4 1239 B8R1.5 Cc1ccccc1I TS49343 [0,0,1,1,0,0|2,0,0]=4 1240 B8R1.5 Cc1ccccc1N TS40130 [0,0,1,1,0,0|2,0,0]=4 1241 B8R1.5 Cc1ccccc1N TS46845 [0,0,1,1,0,0|2,0,0]=4 1242 B8R1.5 Cc1ccccc1O TS31768 [0,0,1,1,0,0|1,0,0]=3 1243 B8R1.5 Cc1ccccc1S TS05037 [0,0,1,1,0,0|1,1,0]=4 1244 B8R1.5 Cc1cccnc1C TS07903 [0,0,1,1,0,0|2,0,0]=4 1245 B8R1.5 Cc1cccnc1O TS31800 [0,0,1,1,0,0|2,0,0]=4 1246 B8R1.5 Cc1ccncc1O TS03183 [0,0,1,1,0,0|2,0,0]=4 1247 B8R1.5 Cc1cnccc1O TS70666 [0,0,1,1,0,0|2,0,0]=4 1248 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [0,0,1,1,0,0|2,0,0]=4 1249 B8R1.5 c1cc(c(=O)oc1)O TS00155 [0,0,1,1,0,0|1,0,0]=3 1250 B8R1.5 c1cc(c(nc1)Br)O TS08304 [0,0,1,1,0,0|2,0,0]=4 1251 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [0,0,1,1,0,0|2,0,0]=4 1252 B8R1.5 c1cc(c(nc1)F)O TS55326 [0,0,1,1,0,0|2,0,0]=4 1253 B8R1.5 c1cc(c(nc1)I)O TS01068 [0,0,1,1,0,0|2,0,0]=4 1254 B8R1.5 c1cc(c(nc1)N)O TS07282 [0,0,1,1,0,0|2,0,0]=4 1255 B8R1.5 c1cc(c(nc1)N)O TS47366 [0,0,1,1,0,0|2,0,0]=4 1256 B8R1.5 c1cc(c(nc1)O)O TS04242 [0,0,1,1,0,0|1,0,1]=4 1257 B8R1.5 c1cc(c(nc1)S)O TS05265 [0,0,1,1,0,0|1,1,0]=4 1258 B8R1.5 c1ccc(c(c1)N)O TS00817 [0,0,1,1,0,0|1,0,1]=4 1259 B8R1.5 c1ccc(c(c1)N)O TS07143 [0,0,1,1,0,0|1,0,1]=4 1260 B8R1.5 c1ccc(c(c1)N)O TS76832 [0,0,1,1,0,0|1,0,1]=4 1261 B8R1.5 c1ccc(c(c1)O)Br TS00855 [0,0,1,1,0,0|1,0,1]=4 1262 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [0,0,1,1,0,0|1,0,1]=4 1263 B8R1.5 c1ccc(c(c1)O)F TS04282 [0,0,1,1,0,0|1,0,1]=4 1264 B8R1.5 c1ccc(c(c1)O)I TS49691 [0,0,1,1,0,0|1,0,1]=4 1265 B8R1.5 c1ccc(c(c1)O)O TS01670 [0,0,1,1,0,0|0,0,2]=4 1266 B8R1.5 c1ccc(c(c1)O)S TS36136 [0,0,1,1,0,0|0,1,1]=4 1267 B8R1.5 c1ccn(=O)c(c1)O TS04239 [0,0,1,1,0,0|1,0,1]=4 1268 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [0,0,0,1,0,1|1,0,0]=3 1269 B10R2.2 Cc1nc2c(s1)ccs2 TS41535 [0,0,0,1,0,1|0,2,0]=4 1270 B10R2.2 c1csc2c1NC(=O)C2 TS60409 [0,0,0,1,0,1|1,1,0]=4 1271 B10R2.32 c1c2c(c[nH]1)C(=O)CC2 TS04860 [0,1,0,1,0,0|2,0,0]=4 1272 B6R1.11 CC(=O)C1CO1 TS03532 [0,0,0,0,2,0|0,0,2]=4 1273 B8R1.2 C1CC(OC=C1)C=O TS89129 [1,0,0,0,0,1|0,0,2]=4 1274 B8R1.2 C1COCC(=C1)C=O TS31902 [1,0,0,0,0,1|0,0,2]=4 1275 B8R1.2 C=Cc1ccccc1 TS04045 [1,0,0,0,0,1|1,0,1]=4 1276 B8R1.2 C=Cc1ccccn1 TS31704 [1,0,0,0,0,1|1,0,1]=4 1277 B8R1.2 C=Cc1cccnc1 TS31705 [1,0,0,0,0,1|1,0,1]=4 1278 B8R1.2 C=Cc1ccncc1 TS33177 [1,0,0,0,0,1|1,0,1]=4 1279 B8R1.2 C=Cc1cnccn1 TS04089 [1,0,0,0,0,1|1,0,1]=4 1280 B8R1.2 CCC1=CCC=CC1 TS04142 [1,0,0,0,0,1|1,0,1]=4 1281 B8R1.2 CCc1ccccc1 TS04102 [1,0,0,0,0,1|1,0,1]=4 1282 B8R1.2 CCc1ccccn1 TS55316 [1,0,0,0,0,1|1,0,1]=4 1283 B8R1.2 CCc1cccnc1 TS04113 [1,0,0,0,0,1|1,0,1]=4 1284 B8R1.2 CCc1ccncc1 TS04110 [1,0,0,0,0,1|1,0,1]=4 1285 B8R1.2 CCc1cnccn1 TS31774 [1,0,0,0,0,1|1,0,1]=4 1286 B8R1.2 CNc1ccccc1 TS31758 [1,0,0,0,0,1|2,0,0]=4 1287 B8R1.2 CNc1ccccc1 TS40129 [1,0,0,0,0,1|2,0,0]=4 1288 B8R1.2 CNc1ccccn1 TS22814 [1,0,0,0,0,1|2,0,0]=4 1289 B8R1.2 CNc1cccnc1 TS09432 [1,0,0,0,0,1|2,0,0]=4 1290 B8R1.2 CNc1ccncc1 TS16891 [1,0,0,0,0,1|2,0,0]=4 1291 B8R1.2 CNc1cnccn1 TS31803 [1,0,0,0,0,1|2,0,0]=4 1292 B8R1.2 CNc1ncccn1 TS31802 [1,0,0,0,0,1|2,0,0]=4 1293 B8R1.2 COc1ccccc1 TS39801 [1,0,0,0,0,1|2,0,0]=4 1294 B8R1.2 COc1cccnn1 TS02827 [1,0,0,0,0,1|2,0,0]=4 1295 B8R1.2 COc1ccncc1 TS03163 [1,0,0,0,0,1|2,0,0]=4 1296 B8R1.2 COc1ccncn1 TS31815 [1,0,0,0,0,1|2,0,0]=4 1297 B8R1.2 COc1cnccn1 TS55429 [1,0,0,0,0,1|2,0,0]=4 1298 B8R1.2 COc1ncccn1 TS31823 [1,0,0,0,0,1|2,0,0]=4 1299 B8R1.2 CPc1ccccc1 TS32592 [1,0,0,0,0,1|2,0,0]=4 1300 B8R1.2 CSc1ccccc1 TS36022 [1,0,0,0,0,1|2,0,0]=4 1301 B8R1.2 CSc1ccccn1 TS05101 [1,0,0,0,0,1|2,0,0]=4 1302 B8R1.2 CSc1cccnc1 TS05108 [1,0,0,0,0,1|2,0,0]=4 1303 B8R1.2 CSc1cnccn1 TS55418 [1,0,0,0,0,1|2,0,0]=4 1304 B8R1.2 CSc1ncccn1 TS36144 [1,0,0,0,0,1|2,0,0]=4 1305 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,0,0,0,0,1|2,0,0]=4 1306 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,0,0,0,0,1|1,1,0]=4 1307 B8R1.2 c1c(cncn1)C=O TS01668 [1,0,0,0,0,1|2,0,0]=4 1308 B8R1.2 c1cc(nnc1)C=O TS59366 [1,0,0,0,0,1|1,0,0]=3 1309 B8R1.2 c1ccc(cc1)C=O TS43757 [1,0,0,0,0,1|1,0,0]=3 1310 B8R1.2 c1ccc(cc1)I=O TS49692 [1,0,0,0,0,1|2,0,0]=4 1311 B8R1.2 c1ccc(cc1)N=O TS31751 [1,0,0,0,0,1|2,0,0]=4 1312 B8R1.2 c1ccnc(c1)C=O TS02469 [1,0,0,0,0,1|1,0,0]=3 1313 B8R1.2 c1cnc(cn1)C=O TS31759 [1,0,0,0,0,1|1,0,0]=3 1314 B8R1.2 c1cnc(nc1)C=O TS02479 [1,0,0,0,0,1|1,0,0]=3 1315 B8R1.2 c1cnccc1C=O TS59369 [1,0,0,0,0,1|1,0,0]=3 1316 B8R1.2 c1cncnc1C=O TS01666 [1,0,0,0,0,1|1,0,0]=3 1317 B8R1.2 c1cnncc1C=O TS87334 [1,0,0,0,0,1|2,0,0]=4 1318 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [0,0,0,0,0,2|2,0,0]=4 1319 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,0,0,0,0,2|2,0,0]=4 1320 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,0,0,0,0,2|2,0,0]=4 1321 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,0,0,0,0,2|2,0,0]=4 1322 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,0,0,0,0,2|1,0,0]=3 1323 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,0,0,0,0,2|1,0,0]=3 1324 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,0,0,0,0,2|1,0,0]=3 1325 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,0,0,0,0,2|1,0,0]=3 1326 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [0,0,0,0,0,2|1,0,0]=3 1327 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [0,0,0,0,0,2|1,0,0]=3 1328 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [0,0,0,0,0,2|1,0,0]=3 1329 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [0,0,0,0,0,2|1,0,0]=3 1330 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [0,0,0,0,0,2|1,0,0]=3 1331 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [0,0,0,0,0,2|1,0,0]=3 1332 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,0,0,0,0,2|1,0,0]=3 1333 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [0,0,0,0,0,2|1,1,0]=4 1334 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [0,0,0,0,0,2|2,0,0]=4 1335 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [0,0,0,0,0,2|2,0,0]=4 1336 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [0,0,0,0,0,2|2,0,0]=4 1337 B10R1.18 c1cc(nnc1)CC(=O)O TS86714 [0,0,0,0,0,2|2,0,0]=4 1338 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [0,0,0,0,0,2|2,0,0]=4 1339 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,0,0,0,0,2|2,0,0]=4 1340 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,0,0,0,0,2|2,0,0]=4 1341 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,0,0,0,0,2|2,0,0]=4 1342 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [0,0,0,0,0,2|2,0,0]=4 1343 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [0,0,0,0,0,2|2,0,0]=4 1344 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [0,0,0,0,0,2|2,0,0]=4 1345 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [0,0,0,0,0,2|2,0,0]=4 1346 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [0,0,0,0,0,2|2,0,0]=4 1347 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [0,0,0,0,0,2|2,0,0]=4 1348 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [0,0,0,0,0,2|2,0,0]=4 1349 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [0,0,0,0,0,2|2,0,0]=4 1350 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [0,0,0,0,0,2|2,0,0]=4 1351 B10R1.18 c1cnc(cn1)CC(=O)O TS02465 [0,0,0,0,0,2|2,0,0]=4 1352 B10R1.18 c1cnc(nc1)CC(=O)O TS02476 [0,0,0,0,0,2|2,0,0]=4 1353 B10R1.18 c1cnccc1CC(=O)N TS36994 [0,0,0,0,0,2|2,0,0]=4 1354 B10R1.18 c1cncnc1CC(=O)O TS88488 [0,0,0,0,0,2|2,0,0]=4 1355 B10R1.66 CC(=O)C=Cc1ccco1 TS70735 [0,0,0,0,0,2|0,0,0]=2 1356 B10R1.66 CC(=O)C=Cc1cccs1 TS41166 [0,0,0,0,0,2|0,1,0]=3 1357 B10R1.66 CC(=O)CCn1cccn1 TS16749 [0,0,0,0,0,2|2,0,0]=4 1358 B10R1.66 CC(=O)CSc1cccs1 TS13242 [0,0,0,0,0,2|0,1,0]=3 1359 B10R1.66 CC(=O)OCc1ccco1 TS37347 [0,0,0,0,0,2|0,0,0]=2 1360 B10R1.66 CC(=S)OCc1ccco1 TS10696 [0,0,0,0,0,2|0,1,0]=3 1361 B10R1.66 CC(C)SCc1ccco1 TS41673 [0,0,0,0,0,2|1,0,1]=4 1362 B10R1.66 CN(C)N=Cc1ccco1 TS37185 [0,0,0,0,0,2|2,0,0]=4 1363 B10R1.66 c1cc([nH]c1)CCC(=O)O TS02495 [0,0,0,0,0,2|2,0,0]=4 1364 B10R1.66 c1cc(oc1)C=CC(=O)O TS06232 [0,0,0,0,0,2|1,0,0]=3 1365 B10R1.66 c1cc(oc1)C=CC(=O)O TS94913 [0,0,0,0,0,2|1,0,0]=3 1366 B10R1.66 c1cc(oc1)C=C[N+](=O)[O-] TS06353 [0,0,0,0,0,2|2,0,0]=4 1367 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [0,0,0,0,0,2|1,0,0]=3 1368 B10R1.66 c1cc(oc1)CNC(=S)N TS10705 [0,0,0,0,0,2|1,1,0]=4 1369 B10R1.66 c1cc(sc1)C=CC(=O)Cl TS45576 [0,0,0,0,0,2|1,1,0]=4 1370 B10R1.66 c1cc(sc1)C=CC(=O)O TS41387 [0,0,0,0,0,2|1,1,0]=4 1371 B10R1.66 c1cc(sc1)CCC(=O)O TS41627 [0,0,0,0,0,2|1,1,0]=4