0 B6R1.2 C1=CC(C=C1)[Hf+3] TS64701 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 C1=CC(C=C1)[Nb+4] TS74559 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 C1=CC(C=C1)[Ti+3] TS22641 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 C1=CC(C=C1)[Zr+3] TS29852 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 C1=CN=NC1=O TS03479 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 C1=NC(=O)N=N1 TS94818 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 C1C=CC(=O)N1 TS71697 [0,0,0,0,0,0|2,0,2]=4 7 B6R1.2 C1C=CC(=O)O1 TS03476 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 C1C=CCC1=O TS03462 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 C1CC(=NC1)N TS04838 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 C1CC=C(C1)Cl TS31619 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 C1CSC(=N1)N TS06330 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 C1CSC(=N1)S TS04797 [0,0,0,0,0,0|3,0,1]=4 14 B6R1.2 C1CSCC1=O TS81072 [0,0,0,0,0,0|2,0,2]=4 15 B6R1.2 CC1=CCCC1 TS71683 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 CC1=CCCO1 TS03492 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 CC1=NCCC1 TS32917 [0,0,0,0,0,0|1,0,2]=3 18 B6R1.2 CC1=NCCO1 TS71733 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 CC1=NCCS1 TS03913 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 CC1CCSC1 TS03984 [0,0,0,0,0,0|1,0,3]=4 21 B6R1.2 Cc1[nH]ccn1 TS59974 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 Cc1[nH]nnn1 TS02262 [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 Cc1c[nH]cn1 TS03464 [0,0,0,0,0,0|1,0,0]=1 24 B6R1.2 Cc1c[nH]nc1 TS04770 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 Cc1c[nH]nc1 TS71226 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 Cc1cc[nH]c1 TS70679 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 Cc1cc[nH]n1 TS70653 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 Cc1ccco1 TS03463 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 Cc1cccs1 TS65607 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 Cc1ccno1 TS71696 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 Cc1ccoc1 TS02846 [0,0,0,0,0,0|1,1,0]=2 32 B6R1.2 Cc1ccsc1 TS70682 [0,0,0,0,0,0|1,0,0]=1 33 B6R1.2 Cc1ccsn1 TS39717 [0,0,0,0,0,0|2,0,0]=2 34 B6R1.2 Cc1cncs1 TS33187 [0,0,0,0,0,0|2,0,0]=2 35 B6R1.2 Cc1cscn1 TS71246 [0,0,0,0,0,0|0,0,0]=0 36 B6R1.2 Cc1csnn1 TS03855 [0,0,0,0,0,0|1,0,0]=1 37 B6R1.2 Cc1nc[nH]n1 TS70651 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 Cn1cccc1 TS03445 [0,0,0,0,0,0|3,0,0]=3 39 B6R1.2 Cn1cccn1 TS47002 [0,0,0,0,0,0|2,0,0]=2 40 B6R1.2 Cn1ccnc1 TS00490 [0,0,0,0,0,0|3,0,0]=3 41 B6R1.2 Cn1ccnn1 TS00462 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 Cn1cncn1 TS22971 [0,0,0,0,0,0|2,0,0]=2 43 B6R1.2 Cn1cnnn1 TS03481 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 c1([nH]nnn1)N TS31633 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 c1([nH]nnn1)N TS71731 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 c1(n[nH]nn1)N TS93798 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 c1(nnns1)N TS03934 [0,0,0,0,0,0|4,0,0]=4 48 B6R1.2 c1[nH]nc(n1)Cl TS09508 [0,0,0,0,0,0|3,0,0]=3 49 B6R1.2 c1[nH]nc(n1)I TS17984 [0,0,0,0,0,0|3,0,0]=3 50 B6R1.2 c1[nH]nc(n1)N TS03483 [0,0,0,0,0,0|3,0,0]=3 51 B6R1.2 c1[nH]nc(n1)S TS59902 [0,0,0,0,0,0|3,0,0]=3 52 B6R1.2 c1[nH]nc(n1)[Na] TS03640 [0,0,0,0,0,0|3,0,0]=3 53 B6R1.2 c1c([nH]nn1)S TS32555 [0,0,0,0,0,0|3,0,1]=4 54 B6R1.2 c1c(cn[nH]1)Br TS70940 [0,0,0,0,0,0|4,0,0]=4 55 B6R1.2 c1c(cn[nH]1)Cl TS09689 [0,0,0,0,0,0|4,0,0]=4 56 B6R1.2 c1c(cn[nH]1)F TS03520 [0,0,0,0,0,0|4,0,0]=4 57 B6R1.2 c1c(cn[nH]1)I TS09720 [0,0,0,0,0,0|4,0,0]=4 58 B6R1.2 c1c(cn[nH]1)N TS70917 [0,0,0,0,0,0|4,0,0]=4 59 B6R1.2 c1c(cn[nH]1)N TS70918 [0,0,0,0,0,0|4,0,0]=4 60 B6R1.2 c1c(con1)N TS02997 [0,0,0,0,0,0|3,1,0]=4 61 B6R1.2 c1c(csn1)Br TS09610 [0,0,0,0,0,0|3,0,0]=3 62 B6R1.2 c1c(nc[nH]1)Br TS70938 [0,0,0,0,0,0|2,0,0]=2 63 B6R1.2 c1c(nc[nH]1)Cl TS01850 [0,0,0,0,0,0|2,0,0]=2 64 B6R1.2 c1c(nc[nH]1)F TS03521 [0,0,0,0,0,0|2,0,0]=2 65 B6R1.2 c1c(nc[nH]1)I TS94042 [0,0,0,0,0,0|2,0,0]=2 66 B6R1.2 c1c(ncs1)Br TS09617 [0,0,0,0,0,0|1,0,0]=1 67 B6R1.2 c1c(ncs1)Cl TS71080 [0,0,0,0,0,0|1,0,0]=1 68 B6R1.2 c1c(scn1)Br TS71467 [0,0,0,0,0,0|3,0,0]=3 69 B6R1.2 c1c(scn1)N TS55508 [0,0,0,0,0,0|3,0,0]=3 70 B6R1.2 c1c(snn1)N TS31552 [0,0,0,0,0,0|4,0,0]=4 71 B6R1.2 c1c[nH]c(=O)[nH]1 TS03478 [0,0,0,0,0,0|3,0,1]=4 72 B6R1.2 c1c[nH]cc1Br TS40352 [0,0,0,0,0,0|3,0,0]=3 73 B6R1.2 c1c[nH]nc1Br TS09495 [0,0,0,0,0,0|3,0,0]=3 74 B6R1.2 c1c[nH]nc1N TS00451 [0,0,0,0,0,0|3,0,0]=3 75 B6R1.2 c1c[nH]nc1N TS94840 [0,0,0,0,0,0|3,0,0]=3 76 B6R1.2 c1cc(oc1)Br TS55169 [0,0,0,0,0,0|3,0,0]=3 77 B6R1.2 c1cc(sc1)Br TS55181 [0,0,0,0,0,0|3,0,0]=3 78 B6R1.2 c1cc(sc1)Cl TS04771 [0,0,0,0,0,0|3,0,0]=3 79 B6R1.2 c1cc(sc1)F TS01041 [0,0,0,0,0,0|3,0,0]=3 80 B6R1.2 c1cc(sc1)I TS07727 [0,0,0,0,0,0|3,0,0]=3 81 B6R1.2 c1cc(sc1)S TS39686 [0,0,0,0,0,0|3,0,0]=3 82 B6R1.2 c1cc(sc1)[Zn+] TS24604 [0,0,0,0,0,0|3,0,0]=3 83 B6R1.2 c1ccn(c1)N TS00391 [0,0,0,0,0,0|4,0,0]=4 84 B6R1.2 c1ccn(c1)N TS84904 [0,0,0,0,0,0|4,0,0]=4 85 B6R1.2 c1cn[nH]c1N TS55377 [0,0,0,0,0,0|3,0,1]=4 86 B6R1.2 c1cnc([nH]1)Br TS55170 [0,0,0,0,0,0|3,0,0]=3 87 B6R1.2 c1cnc([nH]1)Cl TS08380 [0,0,0,0,0,0|3,0,0]=3 88 B6R1.2 c1cnc([nH]1)F TS03522 [0,0,0,0,0,0|3,0,0]=3 89 B6R1.2 c1cnc([nH]1)N TS47471 [0,0,0,0,0,0|3,0,0]=3 90 B6R1.2 c1cnc([nH]1)N TS47472 [0,0,0,0,0,0|3,0,0]=3 91 B6R1.2 c1cnc([nH]1)S TS03856 [0,0,0,0,0,0|3,0,0]=3 92 B6R1.2 c1cnoc1N TS85224 [0,0,0,0,0,0|4,0,0]=4 93 B6R1.2 c1coc(=O)o1 TS16828 [0,0,0,0,0,0|4,0,0]=4 94 B6R1.2 c1coc(n1)I TS86803 [0,0,0,0,0,0|3,0,0]=3 95 B6R1.2 c1coc(n1)N TS00816 [0,0,0,0,0,0|3,0,0]=3 96 B6R1.2 c1cocc1Br TS65944 [0,0,0,0,0,0|2,1,0]=3 97 B6R1.2 c1conc1Br TS01843 [0,0,0,0,0,0|3,0,0]=3 98 B6R1.2 c1conc1Cl TS31649 [0,0,0,0,0,0|3,0,0]=3 99 B6R1.2 c1conc1N TS65834 [0,0,0,0,0,0|3,0,0]=3 100 B6R1.2 c1csc(=S)s1 TS36879 [0,0,0,0,0,0|4,0,0]=4 101 B6R1.2 c1csc(n1)Br TS55175 [0,0,0,0,0,0|3,0,0]=3 102 B6R1.2 c1csc(n1)Cl TS00969 [0,0,0,0,0,0|3,0,0]=3 103 B6R1.2 c1csc(n1)N TS06140 [0,0,0,0,0,0|3,0,0]=3 104 B6R1.2 c1csc(n1)N TS56047 [0,0,0,0,0,0|3,0,0]=3 105 B6R1.2 c1csc(n1)S TS32304 [0,0,0,0,0,0|3,0,0]=3 106 B6R1.2 c1csc(n1)[Zn+] TS24766 [0,0,0,0,0,0|3,0,0]=3 107 B6R1.2 c1cscc1Br TS09501 [0,0,0,0,0,0|2,0,0]=2 108 B6R1.2 c1cscc1Cl TS04772 [0,0,0,0,0,0|2,0,0]=2 109 B6R1.2 c1cscc1I TS70636 [0,0,0,0,0,0|2,0,0]=2 110 B6R1.2 c1cscc1N TS02675 [0,0,0,0,0,0|2,0,0]=2 111 B6R1.2 c1cscc1N TS88823 [0,0,0,0,0,0|2,0,0]=2 112 B6R1.2 c1cscc1S TS60165 [0,0,0,0,0,0|2,0,0]=2 113 B6R1.2 c1csnc1Br TS39302 [0,0,0,0,0,0|3,0,0]=3 114 B6R1.2 c1cssc1=S TS36878 [0,0,0,0,0,0|3,0,0]=3 115 B6R1.2 c1nc(sn1)Cl TS71480 [0,0,0,0,0,0|3,0,0]=3 116 B6R1.2 c1nc(sn1)N TS03215 [0,0,0,0,0,0|3,0,0]=3 117 B6R1.2 c1nnc(s1)Br TS00845 [0,0,0,0,0,0|4,0,0]=4 118 B6R1.2 c1nnc(s1)N TS08268 [0,0,0,0,0,0|4,0,0]=4 119 B6R1.2 c1nnc(s1)S TS32352 [0,0,0,0,0,0|4,0,0]=4 120 B5R1.1 C1C=CC=C1 TS02712 [1,0,0,0,0,0|2,0,0]=3 121 B5R1.1 C1C=CCN1 TS03158 [1,0,0,0,0,0|3,0,0]=4 122 B5R1.1 C1C=CCO1 TS47265 [1,0,0,0,0,0|3,0,0]=4 123 B5R1.1 C1C=CC[SiH2]1 TS71724 [1,0,0,0,0,0|2,1,0]=4 124 B5R1.1 C1CC=CC1 TS70869 [1,0,0,0,0,0|2,0,1]=4 125 B5R1.1 C1CNN=C1 TS03359 [1,0,0,0,0,0|2,0,1]=4 126 B5R1.1 C1COC=C1 TS07898 [1,0,0,0,0,0|1,1,1]=4 127 B5R1.1 C1COC=N1 TS03370 [1,0,0,0,0,0|0,1,2]=4 128 B5R1.1 [cH-]1cccc1 TS03571 [1,0,0,0,0,0|2,0,0]=3 129 B5R1.1 [cH-]1cccc1 TS16106 [1,0,0,0,0,0|2,0,0]=3 130 B5R1.1 [cH-]1cccc1 TS27849 [1,0,0,0,0,0|2,0,0]=3 131 B5R1.1 [cH-]1cccc1 TS48823 [1,0,0,0,0,0|2,0,0]=3 132 B5R1.1 [cH-]1cccc1 TS53175 [1,0,0,0,0,0|2,0,0]=3 133 B5R1.1 [cH-]1cccc1 TS58447 [1,0,0,0,0,0|2,0,0]=3 134 B5R1.1 c1[nH]ncn1 TS00348 [1,0,0,0,0,0|2,0,0]=3 135 B5R1.1 c1[nH]nnn1 TS71367 [1,0,0,0,0,0|3,0,0]=4 136 B5R1.1 c1c[nH]nc1 TS39604 [1,0,0,0,0,0|2,0,0]=3 137 B5R1.1 c1cc[nH]c1 TS39606 [1,0,0,0,0,0|1,0,1]=3 138 B5R1.1 c1ccoc1 TS70860 [1,0,0,0,0,0|1,1,0]=3 139 B5R1.1 c1ccsc1 TS00282 [1,0,0,0,0,0|1,0,0]=2 140 B5R1.1 c1cnc[nH]1 TS04054 [1,0,0,0,0,0|1,0,0]=2 141 B5R1.1 c1cnc[nH]1 TS74504 [1,0,0,0,0,0|1,0,0]=2 142 B5R1.1 c1cnn[nH]1 TS46944 [1,0,0,0,0,0|2,0,0]=3 143 B5R1.1 c1cnoc1 TS56202 [1,0,0,0,0,0|2,0,0]=3 144 B5R1.1 c1cnsc1 TS56199 [1,0,0,0,0,0|2,0,0]=3 145 B5R1.1 c1cocn1 TS03082 [1,0,0,0,0,0|0,1,0]=2 146 B5R1.1 c1cscn1 TS01819 [1,0,0,0,0,0|0,0,0]=1 147 B5R1.1 c1nncs1 TS71742 [1,0,0,0,0,0|1,0,0]=2 148 B7R1.1 C#Cc1cccs1 TS59968 [0,1,0,0,0,0|2,0,1]=4 149 B7R1.1 C#Cc1ccsc1 TS70562 [0,1,0,0,0,0|1,0,1]=3 150 B7R1.1 C(c1[nH]nnn1)Cl TS71518 [0,1,0,0,0,0|3,0,0]=4 151 B7R1.1 C(c1[nH]nnn1)N TS71316 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.1 C1CC=C(C1)CBr TS90531 [0,1,0,0,0,0|2,0,1]=4 153 B7R1.1 C1CN=C(N1)CCl TS08710 [0,1,0,0,0,0|2,0,1]=4 154 B7R1.1 CCC1=CCCC1 TS03731 [0,1,0,0,0,0|2,0,1]=4 155 B7R1.1 CCC1=NCCO1 TS03816 [0,1,0,0,0,0|2,0,1]=4 156 B7R1.1 CCc1[nH]ccn1 TS31379 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.1 CCc1cc[nH]c1 TS03698 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.1 CCc1ccc[nH]1 TS03700 [0,1,0,0,0,0|1,0,1]=3 159 B7R1.1 CCc1ccco1 TS31365 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.1 CCc1cccs1 TS04335 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.1 CCc1ccsc1 TS04333 [0,1,0,0,0,0|1,0,0]=2 162 B7R1.1 CCc1nccs1 TS32027 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.1 CCn1cccc1 TS03701 [0,1,0,0,0,0|3,0,0]=4 164 B7R1.1 CCn1cccn1 TS77180 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.1 CCn1ccnc1 TS31376 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.1 CCn1cncn1 TS00433 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.1 CCn1cnnn1 TS03778 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.1 CNc1ccn[nH]1 TS91536 [0,1,0,0,0,0|2,0,1]=4 169 B7R1.1 CNc1cnco1 TS01626 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.1 CNc1cncs1 TS91086 [0,1,0,0,0,0|2,0,0]=3 171 B7R1.1 CNc1cocn1 TS01625 [0,1,0,0,0,0|0,1,0]=2 172 B7R1.1 CNc1cocn1 TS71270 [0,1,0,0,0,0|0,1,0]=2 173 B7R1.1 CNc1ncco1 TS05943 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.1 COC1=NCCC1 TS03819 [0,1,0,0,0,0|1,0,2]=4 175 B7R1.1 COC1=NCCN1 TS02909 [0,1,0,0,0,0|2,0,1]=4 176 B7R1.1 COc1ccco1 TS03757 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.1 COc1cccs1 TS39279 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.1 COc1ccsc1 TS70649 [0,1,0,0,0,0|1,0,0]=2 179 B7R1.1 CSC1=NCCN1 TS04613 [0,1,0,0,0,0|2,0,1]=4 180 B7R1.1 CSC1=NCCN1 TS61969 [0,1,0,0,0,0|2,0,1]=4 181 B7R1.1 CSC1=NCCS1 TS00519 [0,1,0,0,0,0|2,0,1]=4 182 B7R1.1 CSc1[nH]nnn1 TS04580 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.1 CSc1c[nH]cn1 TS04457 [0,1,0,0,0,0|1,0,0]=2 184 B7R1.1 CSc1cccs1 TS05614 [0,1,0,0,0,0|2,0,0]=3 185 B7R1.1 CSc1ccsc1 TS05615 [0,1,0,0,0,0|1,0,0]=2 186 B7R1.1 CSc1nccs1 TS36627 [0,1,0,0,0,0|2,0,0]=3 187 B7R1.1 c1[nH]nc(n1)C#N TS55376 [0,1,0,0,0,0|2,0,1]=4 188 B7R1.1 c1[nH]nc(n1)CN TS31419 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.1 c1c([nH]cn1)CO TS89152 [0,1,0,0,0,0|1,0,1]=3 190 B7R1.1 c1c(cn[nH]1)CCl TS60362 [0,1,0,0,0,0|3,0,0]=4 191 B7R1.1 c1c(cn[nH]1)CN TS91237 [0,1,0,0,0,0|3,0,0]=4 192 B7R1.1 c1c(cn[nH]1)CO TS91560 [0,1,0,0,0,0|3,0,0]=4 193 B7R1.1 c1c(con1)CBr TS42379 [0,1,0,0,0,0|2,1,0]=4 194 B7R1.1 c1c(con1)CCl TS32310 [0,1,0,0,0,0|2,1,0]=4 195 B7R1.1 c1c(con1)CN TS05942 [0,1,0,0,0,0|2,1,0]=4 196 B7R1.1 c1c(con1)CN TS91590 [0,1,0,0,0,0|2,1,0]=4 197 B7R1.1 c1c(con1)CO TS31465 [0,1,0,0,0,0|2,1,0]=4 198 B7R1.1 c1c(nc[nH]1)C#N TS71086 [0,1,0,0,0,0|1,0,1]=3 199 B7R1.1 c1c(nc[nH]1)C=O TS01483 [0,1,0,0,0,0|1,0,1]=3 200 B7R1.1 c1c(nc[nH]1)CCl TS10267 [0,1,0,0,0,0|1,0,0]=2 201 B7R1.1 c1c(nc[nH]1)CO TS70769 [0,1,0,0,0,0|1,0,0]=2 202 B7R1.1 c1c(nco1)C#N TS03663 [0,1,0,0,0,0|0,1,1]=3 203 B7R1.1 c1c(nco1)C=O TS71269 [0,1,0,0,0,0|0,1,1]=3 204 B7R1.1 c1c(nco1)CO TS90371 [0,1,0,0,0,0|0,1,0]=2 205 B7R1.1 c1c(ncs1)C#N TS03070 [0,1,0,0,0,0|0,0,1]=2 206 B7R1.1 c1c(ncs1)C=O TS01721 [0,1,0,0,0,0|0,0,1]=2 207 B7R1.1 c1c(ncs1)CN TS09978 [0,1,0,0,0,0|0,0,0]=1 208 B7R1.1 c1c(ncs1)CN TS88491 [0,1,0,0,0,0|0,0,0]=1 209 B7R1.1 c1c(ncs1)CO TS04539 [0,1,0,0,0,0|0,0,0]=1 210 B7R1.1 c1c(nn[nH]1)C=O TS00445 [0,1,0,0,0,0|2,0,1]=4 211 B7R1.1 c1c(nn[nH]1)CN TS05945 [0,1,0,0,0,0|2,0,0]=3 212 B7R1.1 c1c(nn[nH]1)CO TS31474 [0,1,0,0,0,0|2,0,0]=3 213 B7R1.1 c1c(nns1)C=O TS32058 [0,1,0,0,0,0|1,0,1]=3 214 B7R1.1 c1c(ocn1)C#N TS03664 [0,1,0,0,0,0|2,0,1]=4 215 B7R1.1 c1c(ocn1)C=O TS01172 [0,1,0,0,0,0|2,0,1]=4 216 B7R1.1 c1c(ocn1)CBr TS42378 [0,1,0,0,0,0|2,0,0]=3 217 B7R1.1 c1c(ocn1)CCl TS32309 [0,1,0,0,0,0|2,0,0]=3 218 B7R1.1 c1c(ocn1)CO TS91185 [0,1,0,0,0,0|2,0,0]=3 219 B7R1.1 c1c(scn1)C=O TS55509 [0,1,0,0,0,0|2,0,1]=4 220 B7R1.1 c1c(scn1)CO TS71321 [0,1,0,0,0,0|2,0,0]=3 221 B7R1.1 c1c[nH]cc1C#N TS02038 [0,1,0,0,0,0|2,0,1]=4 222 B7R1.1 c1c[nH]cc1C=O TS00457 [0,1,0,0,0,0|2,0,1]=4 223 B7R1.1 c1c[nH]nc1C#N TS71875 [0,1,0,0,0,0|2,0,1]=4 224 B7R1.1 c1c[nH]nc1C=O TS59363 [0,1,0,0,0,0|2,0,1]=4 225 B7R1.1 c1c[nH]nc1CO TS88889 [0,1,0,0,0,0|2,0,0]=3 226 B7R1.1 c1cc([nH]c1)C#N TS01671 [0,1,0,0,0,0|1,0,2]=4 227 B7R1.1 c1cc([nH]c1)C=O TS01672 [0,1,0,0,0,0|1,0,2]=4 228 B7R1.1 c1cc([nH]c1)CN TS31377 [0,1,0,0,0,0|1,0,1]=3 229 B7R1.1 c1cc(oc1)C#N TS71874 [0,1,0,0,0,0|2,0,1]=4 230 B7R1.1 c1cc(oc1)C=O TS03712 [0,1,0,0,0,0|2,0,1]=4 231 B7R1.1 c1cc(oc1)CN TS03749 [0,1,0,0,0,0|2,0,0]=3 232 B7R1.1 c1cc(oc1)CO TS03766 [0,1,0,0,0,0|2,0,0]=3 233 B7R1.1 c1cc(oc1)CS TS32087 [0,1,0,0,0,0|2,0,0]=3 234 B7R1.1 c1cc(sc1)C#N TS65659 [0,1,0,0,0,0|2,0,1]=4 235 B7R1.1 c1cc(sc1)C=O TS65660 [0,1,0,0,0,0|2,0,1]=4 236 B7R1.1 c1cc(sc1)CCl TS01778 [0,1,0,0,0,0|2,0,0]=3 237 B7R1.1 c1cc(sc1)CN TS65663 [0,1,0,0,0,0|2,0,0]=3 238 B7R1.1 c1cc(sc1)CO TS32088 [0,1,0,0,0,0|2,0,0]=3 239 B7R1.1 c1cc(sc1)CS TS05613 [0,1,0,0,0,0|2,0,0]=3 240 B7R1.1 c1cn(cn1)CO TS03775 [0,1,0,0,0,0|3,0,0]=4 241 B7R1.1 c1cnc([nH]1)C#N TS87385 [0,1,0,0,0,0|2,0,1]=4 242 B7R1.1 c1cnc([nH]1)C#N TS92194 [0,1,0,0,0,0|2,0,1]=4 243 B7R1.1 c1cnc([nH]1)C=O TS77140 [0,1,0,0,0,0|2,0,1]=4 244 B7R1.1 c1cnc([nH]1)CCl TS10266 [0,1,0,0,0,0|2,0,0]=3 245 B7R1.1 c1cnc([nH]1)CN TS88455 [0,1,0,0,0,0|2,0,0]=3 246 B7R1.1 c1cnc([nH]1)CO TS03774 [0,1,0,0,0,0|2,0,0]=3 247 B7R1.1 c1cnc([nH]1)CO TS05944 [0,1,0,0,0,0|2,0,0]=3 248 B7R1.1 c1cnc([nH]1)NN TS03777 [0,1,0,0,0,0|3,0,0]=4 249 B7R1.1 c1cnn(c1)CO TS59362 [0,1,0,0,0,0|2,0,0]=3 250 B7R1.1 c1cnoc1CN TS01391 [0,1,0,0,0,0|3,0,0]=4 251 B7R1.1 c1cnoc1CN TS56201 [0,1,0,0,0,0|3,0,0]=4 252 B7R1.1 c1cnoc1CO TS31470 [0,1,0,0,0,0|3,0,0]=4 253 B7R1.1 c1coc(n1)C=O TS09404 [0,1,0,0,0,0|2,0,1]=4 254 B7R1.1 c1coc(n1)CCl TS55279 [0,1,0,0,0,0|2,0,0]=3 255 B7R1.1 c1coc(n1)CO TS89980 [0,1,0,0,0,0|2,0,0]=3 256 B7R1.1 c1cocc1C=O TS02781 [0,1,0,0,0,0|1,1,1]=4 257 B7R1.1 c1cocc1CN TS31397 [0,1,0,0,0,0|1,1,0]=3 258 B7R1.1 c1cocc1CN TS36795 [0,1,0,0,0,0|1,1,0]=3 259 B7R1.1 c1cocc1CO TS02782 [0,1,0,0,0,0|1,1,0]=3 260 B7R1.1 c1conc1C#N TS91208 [0,1,0,0,0,0|2,0,1]=4 261 B7R1.1 c1conc1C=O TS56203 [0,1,0,0,0,0|2,0,1]=4 262 B7R1.1 c1conc1CCl TS09441 [0,1,0,0,0,0|2,0,0]=3 263 B7R1.1 c1conc1CN TS03776 [0,1,0,0,0,0|2,0,0]=3 264 B7R1.1 c1conc1CO TS31471 [0,1,0,0,0,0|2,0,0]=3 265 B7R1.1 c1csc(n1)C#N TS90840 [0,1,0,0,0,0|2,0,1]=4 266 B7R1.1 c1csc(n1)C=O TS19605 [0,1,0,0,0,0|2,0,1]=4 267 B7R1.1 c1csc(n1)C=O TS65653 [0,1,0,0,0,0|2,0,1]=4 268 B7R1.1 c1csc(n1)CCl TS55280 [0,1,0,0,0,0|2,0,0]=3 269 B7R1.1 c1csc(n1)CN TS04455 [0,1,0,0,0,0|2,0,0]=3 270 B7R1.1 c1csc(n1)CN TS09110 [0,1,0,0,0,0|2,0,0]=3 271 B7R1.1 c1csc(n1)CO TS01720 [0,1,0,0,0,0|2,0,0]=3 272 B7R1.1 c1cscc1C#N TS31806 [0,1,0,0,0,0|1,0,1]=3 273 B7R1.1 c1cscc1C=O TS70719 [0,1,0,0,0,0|1,0,1]=3 274 B7R1.1 c1cscc1CBr TS65954 [0,1,0,0,0,0|1,0,0]=2 275 B7R1.1 c1cscc1CCl TS36736 [0,1,0,0,0,0|1,0,0]=2 276 B7R1.1 c1cscc1CN TS86063 [0,1,0,0,0,0|1,0,0]=2 277 B7R1.1 c1cscc1CO TS70716 [0,1,0,0,0,0|1,0,0]=2 278 B7R1.1 c1csnc1CN TS88909 [0,1,0,0,0,0|2,0,0]=3 279 B7R1.1 c1nc(no1)CCl TS04764 [0,1,0,0,0,0|1,1,0]=3 280 B7R1.1 c1nc(no1)CN TS31475 [0,1,0,0,0,0|1,1,0]=3 281 B7R1.1 c1ncn(n1)CCl TS46937 [0,1,0,0,0,0|2,0,0]=3 282 B7R1.1 c1ncn(n1)CO TS31473 [0,1,0,0,0,0|2,0,0]=3 283 B7R1.1 c1nnc(o1)CN TS03809 [0,1,0,0,0,0|3,0,0]=4 284 B7R1.1 c1nnc(s1)CN TS88465 [0,1,0,0,0,0|3,0,0]=4 285 B7R1.1 c1nnc(s1)CO TS88462 [0,1,0,0,0,0|3,0,0]=4 286 B7R1.2 C1=CC(=O)NC1=O TS56220 [0,1,0,0,0,0|2,0,1]=4 287 B7R1.2 C1=CC(=O)OC1=O TS03751 [0,1,0,0,0,0|3,0,0]=4 288 B7R1.2 C1C(=N)N=C(S1)N TS41074 [0,1,0,0,0,0|1,0,1]=3 289 B7R1.2 C1C(=O)NC(=O)S1 TS00655 [0,1,0,0,0,0|1,0,2]=4 290 B7R1.2 C1C(=O)NC(=S)S1 TS36781 [0,1,0,0,0,0|1,0,2]=4 291 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,1,0,0,0,0|2,0,1]=4 292 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,1,0,0,0,0|1,1,1]=4 293 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,1,0,0,0,0|2,0,0]=3 294 B7R1.2 CC1=NNC(=O)C1 TS93059 [0,1,0,0,0,0|2,0,1]=4 295 B7R1.2 CC1=NOC(=O)C1 TS15601 [0,1,0,0,0,0|2,0,1]=4 296 B7R1.2 Cc1[nH]c(nn1)C TS31398 [0,1,0,0,0,0|2,0,1]=4 297 B7R1.2 Cc1[nH]c(nn1)N TS02652 [0,1,0,0,0,0|2,0,1]=4 298 B7R1.2 Cc1[nH]cc(n1)Br TS70962 [0,1,0,0,0,0|2,0,0]=3 299 B7R1.2 Cc1[nH]cc(n1)I TS08883 [0,1,0,0,0,0|2,0,0]=3 300 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [0,1,0,0,0,0|1,0,1]=3 301 B7R1.2 Cc1c[nH]c(n1)C TS00643 [0,1,0,0,0,0|1,0,0]=2 302 B7R1.2 Cc1cc([nH]c1)C TS00646 [0,1,0,0,0,0|1,0,1]=3 303 B7R1.2 Cc1cc(cs1)Br TS70964 [0,1,0,0,0,0|2,0,0]=3 304 B7R1.2 Cc1cc(n[nH]1)C TS65819 [0,1,0,0,0,0|2,0,0]=3 305 B7R1.2 Cc1cc(n[nH]1)Cl TS04650 [0,1,0,0,0,0|2,0,1]=4 306 B7R1.2 Cc1cc(n[nH]1)N TS55479 [0,1,0,0,0,0|2,0,1]=4 307 B7R1.2 Cc1cc(no1)Br TS65934 [0,1,0,0,0,0|3,0,0]=4 308 B7R1.2 Cc1cc(no1)N TS48907 [0,1,0,0,0,0|3,0,0]=4 309 B7R1.2 Cc1cc(no1)N TS60000 [0,1,0,0,0,0|3,0,0]=4 310 B7R1.2 Cc1cc(no1)O TS31468 [0,1,0,0,0,0|3,0,0]=4 311 B7R1.2 Cc1cc(on1)C TS08855 [0,1,0,0,0,0|2,0,0]=3 312 B7R1.2 Cc1cc(on1)N TS02058 [0,1,0,0,0,0|2,0,0]=3 313 B7R1.2 Cc1cc(sc1)C TS04334 [0,1,0,0,0,0|1,0,0]=2 314 B7R1.2 Cc1cc(sn1)Br TS60427 [0,1,0,0,0,0|2,0,0]=3 315 B7R1.2 Cc1cc(sn1)N TS03230 [0,1,0,0,0,0|2,0,0]=3 316 B7R1.2 Cc1ccc([nH]1)C TS59928 [0,1,0,0,0,0|1,0,1]=3 317 B7R1.2 Cc1ccc(o1)C TS31370 [0,1,0,0,0,0|2,0,0]=3 318 B7R1.2 Cc1ccc(s1)Br TS55129 [0,1,0,0,0,0|2,0,0]=3 319 B7R1.2 Cc1ccc(s1)C TS04332 [0,1,0,0,0,0|2,0,0]=3 320 B7R1.2 Cc1ccc(s1)Cl TS00916 [0,1,0,0,0,0|2,0,0]=3 321 B7R1.2 Cc1ccc(s1)I TS23773 [0,1,0,0,0,0|2,0,0]=3 322 B7R1.2 Cc1ccn(n1)C TS39993 [0,1,0,0,0,0|2,0,0]=3 323 B7R1.2 Cc1cnc([nH]1)N TS31400 [0,1,0,0,0,0|1,0,1]=3 324 B7R1.2 Cc1cnc([nH]1)N TS36796 [0,1,0,0,0,0|1,0,1]=3 325 B7R1.2 Cc1cnc(s1)Br TS55128 [0,1,0,0,0,0|2,0,0]=3 326 B7R1.2 Cc1cnc(s1)C TS32026 [0,1,0,0,0,0|2,0,0]=3 327 B7R1.2 Cc1cnc(s1)Cl TS60279 [0,1,0,0,0,0|2,0,0]=3 328 B7R1.2 Cc1cnn(c1)C TS31378 [0,1,0,0,0,0|2,0,0]=3 329 B7R1.2 Cc1coc(n1)C TS31396 [0,1,0,0,0,0|0,1,0]=2 330 B7R1.2 Cc1coc(n1)N TS71223 [0,1,0,0,0,0|0,1,0]=2 331 B7R1.2 Cc1csc(n1)Br TS08335 [0,1,0,0,0,0|0,0,0]=1 332 B7R1.2 Cc1csc(n1)C TS00648 [0,1,0,0,0,0|0,0,0]=1 333 B7R1.2 Cc1csc(n1)Cl TS00890 [0,1,0,0,0,0|0,0,0]=1 334 B7R1.2 Cc1csc(n1)N TS47415 [0,1,0,0,0,0|0,0,0]=1 335 B7R1.2 Cc1csc(n1)N TS47417 [0,1,0,0,0,0|0,0,0]=1 336 B7R1.2 Cc1csc(n1)S TS36626 [0,1,0,0,0,0|0,0,0]=1 337 B7R1.2 Cc1n[nH]c(=O)o1 TS31491 [0,1,0,0,0,0|3,0,0]=4 338 B7R1.2 Cc1nc(cs1)Br TS46374 [0,1,0,0,0,0|1,0,0]=2 339 B7R1.2 Cc1nc(sn1)Cl TS03269 [0,1,0,0,0,0|1,0,0]=2 340 B7R1.2 Cc1nc(sn1)N TS60419 [0,1,0,0,0,0|1,0,0]=2 341 B7R1.2 Cc1nnc(o1)N TS09106 [0,1,0,0,0,0|3,0,0]=4 342 B7R1.2 Cc1nnc(s1)Br TS08355 [0,1,0,0,0,0|3,0,0]=4 343 B7R1.2 Cc1nnc(s1)C TS04456 [0,1,0,0,0,0|3,0,0]=4 344 B7R1.2 Cc1nnc(s1)N TS39781 [0,1,0,0,0,0|3,0,0]=4 345 B7R1.2 Cc1nnc(s1)S TS05770 [0,1,0,0,0,0|3,0,0]=4 346 B7R1.2 Cn1cc(cn1)Br TS70943 [0,1,0,0,0,0|2,0,0]=3 347 B7R1.2 Cn1cc(cn1)Cl TS71016 [0,1,0,0,0,0|2,0,0]=3 348 B7R1.2 Cn1cc(cn1)I TS71181 [0,1,0,0,0,0|2,0,0]=3 349 B7R1.2 Cn1cc(cn1)N TS90319 [0,1,0,0,0,0|2,0,0]=3 350 B7R1.2 Cn1cc(nc1)Br TS70942 [0,1,0,0,0,0|2,0,0]=3 351 B7R1.2 Cn1cc(nc1)I TS71180 [0,1,0,0,0,0|2,0,0]=3 352 B7R1.2 Cn1cc[n+](c1)C TS07882 [0,1,0,0,0,0|3,0,0]=4 353 B7R1.2 Cn1cc[n+](c1)C TS94116 [0,1,0,0,0,0|3,0,0]=4 354 B7R1.2 Cn1ccc(n1)Br TS16852 [0,1,0,0,0,0|2,0,0]=3 355 B7R1.2 Cn1ccc(n1)I TS89582 [0,1,0,0,0,0|2,0,0]=3 356 B7R1.2 Cn1ccc(n1)N TS00475 [0,1,0,0,0,0|2,0,0]=3 357 B7R1.2 Cn1ccc(n1)N TS72253 [0,1,0,0,0,0|2,0,0]=3 358 B7R1.2 Cn1cnc(n1)Br TS42380 [0,1,0,0,0,0|2,0,0]=3 359 B7R1.2 Cn1nc(nn1)N TS71368 [0,1,0,0,0,0|3,0,0]=4 360 B7R1.2 c1([nH]nc(n1)Br)Br TS02564 [0,1,0,0,0,0|3,0,0]=4 361 B7R1.2 c1([nH]nc(n1)N)N TS03811 [0,1,0,0,0,0|3,0,0]=4 362 B7R1.2 c1(nc(=S)ss1)N TS40925 [0,1,0,0,0,0|2,0,0]=3 363 B7R1.2 c1(nc([nH]n1)S)N TS04579 [0,1,0,0,0,0|3,0,0]=4 364 B7R1.2 c1(nc(sn1)Cl)Br TS59605 [0,1,0,0,0,0|2,0,0]=3 365 B7R1.2 c1(nc(sn1)Cl)Cl TS10536 [0,1,0,0,0,0|2,0,0]=3 366 B7R1.2 c1(nc(sn1)Cl)N TS06021 [0,1,0,0,0,0|2,0,0]=3 367 B7R1.2 c1c(csc1Br)Br TS00598 [0,1,0,0,0,0|2,0,0]=3 368 B7R1.2 c1c(csc1Cl)Br TS16934 [0,1,0,0,0,0|2,0,0]=3 369 B7R1.2 c1c(csc1Cl)N TS86871 [0,1,0,0,0,0|2,0,0]=3 370 B7R1.2 c1c(n[nH]c1O)N TS31472 [0,1,0,0,0,0|3,0,0]=4 371 B7R1.2 c1c(nc([nH]1)Br)Br TS52250 [0,1,0,0,0,0|2,0,0]=3 372 B7R1.2 c1c(nc(s1)Br)Br TS00597 [0,1,0,0,0,0|1,0,0]=2 373 B7R1.2 c1c(nc(s1)Br)N TS08865 [0,1,0,0,0,0|1,0,0]=2 374 B7R1.2 c1c(nc(s1)Cl)Br TS54117 [0,1,0,0,0,0|1,0,0]=2 375 B7R1.2 c1c(nc(s1)Cl)Cl TS00622 [0,1,0,0,0,0|1,0,0]=2 376 B7R1.2 c1c(nc(s1)N)Br TS47393 [0,1,0,0,0,0|1,0,0]=2 377 B7R1.2 c1c(sc(n1)Br)Br TS47253 [0,1,0,0,0,0|3,0,0]=4 378 B7R1.2 c1c(sc(n1)Br)Cl TS87424 [0,1,0,0,0,0|3,0,0]=4 379 B7R1.2 c1c(sc(n1)Br)F TS86403 [0,1,0,0,0,0|3,0,0]=4 380 B7R1.2 c1c(sc(n1)Cl)Cl TS87233 [0,1,0,0,0,0|3,0,0]=4 381 B7R1.2 c1c(sc(n1)N)Br TS44723 [0,1,0,0,0,0|3,0,0]=4 382 B7R1.2 c1c(sc(n1)N)Cl TS12956 [0,1,0,0,0,0|3,0,0]=4 383 B7R1.2 c1c(sc(n1)N)Cl TS71481 [0,1,0,0,0,0|3,0,0]=4 384 B7R1.2 c1c(sc(n1)N)F TS32993 [0,1,0,0,0,0|3,0,0]=4 385 B7R1.2 c1c(sc(n1)S)N TS05769 [0,1,0,0,0,0|3,0,0]=4 386 B7R1.2 c1cc(oc1Br)Br TS52248 [0,1,0,0,0,0|3,0,0]=4 387 B7R1.2 c1cc(sc1Br)Br TS39628 [0,1,0,0,0,0|3,0,0]=4 388 B7R1.2 c1cc(sc1Cl)Br TS18509 [0,1,0,0,0,0|3,0,0]=4 389 B7R1.2 c1cc(sc1Cl)Cl TS10273 [0,1,0,0,0,0|3,0,0]=4 390 B7R1.2 c1cc(sc1Cl)[Zn+] TS68672 [0,1,0,0,0,0|3,0,0]=4 391 B7R1.2 c1cc(sc1I)I TS63999 [0,1,0,0,0,0|3,0,0]=4 392 B7R1.4 C1(=C(SS[NH2+]1)Cl)Cl TS20657 [0,1,0,0,0,0|2,0,1]=4 393 B7R1.4 CC1=C(CCC1)C TS03727 [0,1,0,0,0,0|2,0,1]=4 394 B7R1.4 CC1=C(CCO1)S TS04610 [0,1,0,0,0,0|2,0,1]=4 395 B7R1.4 CC1=C(CCO1)S TS11013 [0,1,0,0,0,0|2,0,1]=4 396 B7R1.4 CC1=CCCC1=O TS31367 [0,1,0,0,0,0|2,0,1]=4 397 B7R1.4 CC1=CCOC1=O TS03756 [0,1,0,0,0,0|1,1,1]=4 398 B7R1.4 CC1=[N+](CCS1)C TS26975 [0,1,0,0,0,0|2,0,1]=4 399 B7R1.4 CC1CCC=C1C TS31386 [0,1,0,0,0,0|2,0,1]=4 400 B7R1.4 CN1CCSC1=S TS36785 [0,1,0,0,0,0|2,0,1]=4 401 B7R1.4 Cc1c([nH]cn1)Br TS11351 [0,1,0,0,0,0|1,0,0]=2 402 B7R1.4 Cc1c(c[nH]n1)Br TS60050 [0,1,0,0,0,0|2,0,0]=3 403 B7R1.4 Cc1c(c[nH]n1)I TS20472 [0,1,0,0,0,0|2,0,0]=3 404 B7R1.4 Cc1c(c[nH]n1)N TS31401 [0,1,0,0,0,0|2,0,0]=3 405 B7R1.4 Cc1c(cco1)S TS32089 [0,1,0,0,0,0|2,0,0]=3 406 B7R1.4 Cc1c(cco1)S TS41631 [0,1,0,0,0,0|2,0,0]=3 407 B7R1.4 Cc1c(ccs1)S TS59980 [0,1,0,0,0,0|2,0,0]=3 408 B7R1.4 Cc1c(cno1)I TS43576 [0,1,0,0,0,0|3,0,0]=4 409 B7R1.4 Cc1c(nc[nH]1)C TS31375 [0,1,0,0,0,0|1,0,0]=2 410 B7R1.4 Cc1c(non1)C TS03773 [0,1,0,0,0,0|2,0,0]=3 411 B7R1.4 Cc1c(non1)N TS03808 [0,1,0,0,0,0|2,0,0]=3 412 B7R1.4 Cc1c(ocn1)C TS31395 [0,1,0,0,0,0|0,1,0]=2 413 B7R1.4 Cc1c(scn1)C TS32025 [0,1,0,0,0,0|0,0,0]=1 414 B7R1.4 Cc1c(snn1)Cl TS05946 [0,1,0,0,0,0|1,0,0]=2 415 B7R1.4 Cc1c[nH]cc1C TS89902 [0,1,0,0,0,0|2,0,0]=3 416 B7R1.4 Cc1c[nH]nc1Br TS85761 [0,1,0,0,0,0|3,0,0]=4 417 B7R1.4 Cc1ccnn1C TS46819 [0,1,0,0,0,0|2,0,0]=3 418 B7R1.4 Cc1ccoc1C TS31373 [0,1,0,0,0,0|1,1,0]=3 419 B7R1.4 Cc1ccsc1Br TS08660 [0,1,0,0,0,0|1,0,0]=2 420 B7R1.4 Cc1ccsc1C TS04331 [0,1,0,0,0,0|1,0,0]=2 421 B7R1.4 Cc1ccsc1Cl TS36735 [0,1,0,0,0,0|1,0,0]=2 422 B7R1.4 Cc1cscc1Br TS09459 [0,1,0,0,0,0|1,0,0]=2 423 B7R1.4 Cc1cscc1C TS59997 [0,1,0,0,0,0|1,0,0]=2 424 B7R1.4 Cc1nccn1C TS31380 [0,1,0,0,0,0|2,0,0]=3 425 B7R1.4 Cc1nnnn1N TS03812 [0,1,0,0,0,0|3,0,0]=4 426 B7R1.4 Cn1c(=O)ccs1 TS41073 [0,1,0,0,0,0|3,0,0]=4 427 B7R1.4 Cn1c(ccn1)N TS00488 [0,1,0,0,0,0|2,0,0]=3 428 B7R1.4 Cn1c(ncn1)N TS31420 [0,1,0,0,0,0|2,0,0]=3 429 B7R1.4 Cn1c(nnn1)N TS46979 [0,1,0,0,0,0|3,0,0]=4 430 B7R1.4 Cn1c(nnn1)S TS04582 [0,1,0,0,0,0|3,0,0]=4 431 B7R1.4 Cn1c(nnn1)S TS37169 [0,1,0,0,0,0|3,0,0]=4 432 B7R1.4 Cn1c(nnn1)S TS93227 [0,1,0,0,0,0|3,0,0]=4 433 B7R1.4 Cn1ccnc1Br TS55074 [0,1,0,0,0,0|3,0,0]=4 434 B7R1.4 Cn1ccnc1Cl TS04651 [0,1,0,0,0,0|3,0,0]=4 435 B7R1.4 Cn1ccnc1I TS01066 [0,1,0,0,0,0|3,0,0]=4 436 B7R1.4 Cn1ccnc1S TS60134 [0,1,0,0,0,0|3,0,0]=4 437 B7R1.4 Cn1cncc1Br TS11350 [0,1,0,0,0,0|2,0,1]=4 438 B7R1.4 Cn1cncc1Cl TS16793 [0,1,0,0,0,0|2,0,1]=4 439 B7R1.4 Cn1cncc1Cl TS47792 [0,1,0,0,0,0|2,0,1]=4 440 B7R1.4 Cn1cncc1I TS08882 [0,1,0,0,0,0|2,0,1]=4 441 B7R1.4 c1(c(nn[nH]1)Br)Br TS60035 [0,1,0,0,0,0|3,0,0]=4 442 B7R1.4 c1(c(non1)N)N TS46769 [0,1,0,0,0,0|3,0,0]=4 443 B7R1.4 c1(c(nsn1)Cl)Cl TS10537 [0,1,0,0,0,0|3,0,0]=4 444 B7R1.4 c1[c-]s(=O)c(n1)S TS36966 [0,1,0,0,0,0|3,0,0]=4 445 B7R1.4 c1[nH]c(c(n1)Br)Br TS02894 [0,1,0,0,0,0|2,0,0]=3 446 B7R1.4 c1[nH]c(c(n1)Cl)Cl TS06153 [0,1,0,0,0,0|2,0,0]=3 447 B7R1.4 c1[nH]c(c(n1)I)I TS02910 [0,1,0,0,0,0|2,0,0]=3 448 B7R1.4 c1c(c(co1)Br)Br TS60314 [0,1,0,0,0,0|2,1,0]=4 449 B7R1.4 c1c(c(cs1)Br)Br TS02535 [0,1,0,0,0,0|2,0,0]=3 450 B7R1.4 c1c(c(cs1)N)N TS49028 [0,1,0,0,0,0|2,0,0]=3 451 B7R1.4 c1c(c(cs1)O)O TS04574 [0,1,0,0,0,0|2,0,0]=3 452 B7R1.4 c1c(c(n[nH]1)I)I TS02551 [0,1,0,0,0,0|3,0,0]=4 453 B7R1.4 c1c(c(n[nH]1)N)Br TS91034 [0,1,0,0,0,0|3,0,0]=4 454 B7R1.4 c1coc(c1Br)Br TS52249 [0,1,0,0,0,0|2,1,0]=4 455 B7R1.4 c1csc(c1Br)Br TS47143 [0,1,0,0,0,0|2,0,0]=3 456 B7R1.4 c1csc(c1Br)Cl TS16859 [0,1,0,0,0,0|2,0,0]=3 457 B7R1.4 c1csc(c1Cl)Cl TS10274 [0,1,0,0,0,0|2,0,0]=3 458 B7R1.14 CC1(COC=N1)C TS03824 [0,1,0,0,0,0|0,1,2]=4 459 B5R0.1 CC#CC(=C)C TS71668 [0,0,1,0,0,0|2,0,1]=4 460 B5R0.1 CC(=C)CC#N TS03447 [0,0,1,0,0,0|2,0,1]=4 461 B5R0.1 CC(=C)CCO TS71766 [0,0,1,0,0,0|1,1,1]=4 462 B5R0.1 CC(=CC#N)N TS65880 [0,0,1,0,0,0|2,0,1]=4 463 B5R0.1 CC(=CC=C)C TS03470 [0,0,1,0,0,0|2,0,0]=3 464 B5R0.1 CC(=CC=O)C TS03497 [0,0,1,0,0,0|1,1,1]=4 465 B5R0.1 CC(=CCBr)C TS00408 [0,0,1,0,0,0|3,0,0]=4 466 B5R0.1 CC(=CCCl)C TS00047 [0,0,1,0,0,0|3,0,0]=4 467 B5R0.1 CC(=CCN)C TS04881 [0,0,1,0,0,0|3,0,0]=4 468 B5R0.1 CC(=CCN)C TS63606 [0,0,1,0,0,0|3,0,0]=4 469 B5R0.1 CC(=CCN)C TS70656 [0,0,1,0,0,0|3,0,0]=4 470 B5R0.1 CC(=CCO)C TS71763 [0,0,1,0,0,0|3,0,0]=4 471 B5R0.1 CC(=CCO)Cl TS31734 [0,0,1,0,0,0|3,0,0]=4 472 B5R0.1 CC(=CCS)C TS03985 [0,0,1,0,0,0|1,0,2]=4 473 B5R0.1 CC(=C[Mg]Br)C TS42096 [0,0,1,0,0,0|3,0,0]=4 474 B5R0.1 CC(=C[SiH2]Cl)C TS04849 [0,0,1,0,0,0|3,0,0]=4 475 B5R0.1 CC(=O)C=NO TS03554 [0,0,1,0,0,0|3,0,0]=4 476 B5R0.1 CC(=O)CCS TS31678 [0,0,1,0,0,0|2,0,1]=4 477 B5R0.1 CC(=O)CSC TS31685 [0,0,1,0,0,0|1,0,2]=4 478 B5R0.1 CC(=O)NSC TS31708 [0,0,1,0,0,0|2,0,1]=4 479 B5R0.1 CC(=O)OC=C TS03528 [0,0,1,0,0,0|3,0,0]=4 480 B5R0.1 CC(=O)OC=O TS71794 [0,0,1,0,0,0|2,1,0]=4 481 B5R0.1 CC=CC(=O)C TS03499 [0,0,1,0,0,0|2,0,1]=4 482 B5R0.1 CCC=C(C)C TS71718 [0,0,1,0,0,0|2,0,1]=4 483 B5R0.1 CCCC(=C)C TS71722 [0,0,1,0,0,0|2,0,1]=4 484 B5R0.1 CCOC(=C)C TS71753 [0,0,1,0,0,0|2,0,1]=4 485 B5R0.1 CSCC(=N)N TS31686 [0,0,1,0,0,0|1,0,2]=4 486 B5R0.2 C=CC=CC=C TS71670 [0,0,1,0,0,0|2,0,1]=4 487 B5R0.2 CC=CC=CC TS71681 [0,0,1,0,0,0|2,0,0]=3 488 B5R0.2 CC=CC=CC TS71684 [0,0,1,0,0,0|2,0,0]=3 489 B5R0.2 CC=CCCO TS71749 [0,0,1,0,0,0|2,0,1]=4 490 B5R0.2 CC=CC[Mg]Cl TS32134 [0,0,1,0,0,0|3,0,0]=4 491 B5R0.2 CCC=CC=C TS03467 [0,0,1,0,0,0|2,0,1]=4 492 B5R0.2 CCC=CC=O TS03498 [0,0,1,0,0,0|2,0,1]=4 493 B5R0.2 CCOC=CC TS71751 [0,0,1,0,0,0|1,1,1]=4 494 B5R0.2 COC=CC=O TS71739 [0,0,1,0,0,0|3,0,0]=4 495 B5R0.3 CC(=CN)C=O TS07741 [0,0,1,0,0,0|2,1,0]=4 496 B5R0.3 CC=C(C)C=C TS03466 [0,0,1,0,0,0|2,0,0]=3 497 B5R0.3 CC=C(C)C=C TS71680 [0,0,1,0,0,0|2,0,0]=3 498 B5R0.3 CC=C(C)C=O TS03488 [0,0,1,0,0,0|1,1,1]=4 499 B5R0.3 CCC(=NO)C TS03558 [0,0,1,0,0,0|2,0,1]=4 500 B5R1.2 C1C(=O)CS1 TS90454 [0,0,0,0,1,0|1,0,2]=4 501 B7R1.3 CC1CC=CC=C1 TS03676 [0,0,0,0,0,1|2,0,1]=4 502 B7R1.3 C[n+]1ccccc1 TS05508 [0,0,0,0,0,1|3,0,0]=4 503 B7R1.3 C[n+]1ccccc1 TS45717 [0,0,0,0,0,1|3,0,0]=4 504 B7R1.3 Cc1ccccc1 TS71861 [0,0,0,0,0,1|2,0,0]=3 505 B7R1.3 Cc1ccccn1 TS71881 [0,0,0,0,0,1|1,0,0]=2 506 B7R1.3 Cc1ccccn1 TS93768 [0,0,0,0,0,1|1,0,0]=2 507 B7R1.3 Cc1cccnc1 TS39719 [0,0,0,0,0,1|1,0,0]=2 508 B7R1.3 Cc1cccnn1 TS70675 [0,0,0,0,0,1|1,0,0]=2 509 B7R1.3 Cc1ccncc1 TS02242 [0,0,0,0,0,1|2,0,0]=3 510 B7R1.3 Cc1ccncn1 TS71236 [0,0,0,0,0,1|1,0,0]=2 511 B7R1.3 Cc1ccnnc1 TS03181 [0,0,0,0,0,1|2,0,0]=3 512 B7R1.3 Cc1cnccn1 TS02445 [0,0,0,0,0,1|1,0,0]=2 513 B7R1.3 Cc1cncnc1 TS01164 [0,0,0,0,0,1|1,0,0]=2 514 B7R1.3 Cc1ncccn1 TS59978 [0,0,0,0,0,1|1,0,0]=2 515 B7R1.3 [Li]c1ccccc1 TS03475 [0,0,0,0,0,1|3,0,0]=4 516 B7R1.3 c1c(cncn1)Br TS09816 [0,0,0,0,0,1|2,0,0]=3 517 B7R1.3 c1c(cncn1)Cl TS71524 [0,0,0,0,0,1|2,0,0]=3 518 B7R1.3 c1c(cncn1)F TS71551 [0,0,0,0,0,1|2,0,0]=3 519 B7R1.3 c1c(cncn1)N TS71385 [0,0,0,0,0,1|2,0,0]=3 520 B7R1.3 c1c(cncn1)O TS03344 [0,0,0,0,0,1|2,0,0]=3 521 B7R1.3 c1cc(cnc1)Br TS09497 [0,0,0,0,0,1|2,0,0]=3 522 B7R1.3 c1cc(cnc1)Cl TS66010 [0,0,0,0,0,1|2,0,0]=3 523 B7R1.3 c1cc(cnc1)F TS02768 [0,0,0,0,0,1|2,0,0]=3 524 B7R1.3 c1cc(cnc1)I TS70634 [0,0,0,0,0,1|2,0,0]=3 525 B7R1.3 c1cc(cnc1)N TS02672 [0,0,0,0,0,1|2,0,0]=3 526 B7R1.3 c1cc(cnc1)O TS32269 [0,0,0,0,0,1|2,0,0]=3 527 B7R1.3 c1cc(nnc1)Cl TS66009 [0,0,0,0,0,1|2,0,0]=3 528 B7R1.3 c1cc(nnc1)Cl TS91704 [0,0,0,0,0,1|2,0,0]=3 529 B7R1.3 c1cc(nnc1)N TS02670 [0,0,0,0,0,1|2,0,0]=3 530 B7R1.3 c1cc(nnc1)N TS02671 [0,0,0,0,0,1|2,0,0]=3 531 B7R1.3 c1cc(nnc1)O TS91073 [0,0,0,0,0,1|2,0,0]=3 532 B7R1.3 c1ccc(cc1)Br TS33230 [0,0,0,0,0,1|3,0,0]=4 533 B7R1.3 c1ccc(cc1)Cl TS39829 [0,0,0,0,0,1|3,0,0]=4 534 B7R1.3 c1ccc(cc1)F TS03718 [0,0,0,0,0,1|3,0,0]=4 535 B7R1.3 c1ccc(cc1)I TS01502 [0,0,0,0,0,1|3,0,0]=4 536 B7R1.3 c1ccc(cc1)I TS09193 [0,0,0,0,0,1|3,0,0]=4 537 B7R1.3 c1ccc(cc1)N TS05506 [0,0,0,0,0,1|3,0,0]=4 538 B7R1.3 c1ccc(cc1)N TS17238 [0,0,0,0,0,1|3,0,0]=4 539 B7R1.3 c1ccc(cc1)N TS31115 [0,0,0,0,0,1|3,0,0]=4 540 B7R1.3 c1ccc(cc1)N TS45718 [0,0,0,0,0,1|3,0,0]=4 541 B7R1.3 c1ccc(cc1)N TS50550 [0,0,0,0,0,1|3,0,0]=4 542 B7R1.3 c1ccc(cc1)N TS71877 [0,0,0,0,0,1|3,0,0]=4 543 B7R1.3 c1ccc(cc1)O TS03667 [0,0,0,0,0,1|3,0,0]=4 544 B7R1.3 c1ccc(cc1)P TS04186 [0,0,0,0,0,1|3,0,0]=4 545 B7R1.3 c1ccc(cc1)S TS04213 [0,0,0,0,0,1|3,0,0]=4 546 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [0,0,0,0,0,1|3,0,0]=4 547 B7R1.3 c1ccc(cc1)[O-] TS31486 [0,0,0,0,0,1|3,0,0]=4 548 B7R1.3 c1ccc(cc1)[O-] TS45086 [0,0,0,0,0,1|3,0,0]=4 549 B7R1.3 c1ccc(cc1)[S-] TS13286 [0,0,0,0,0,1|3,0,0]=4 550 B7R1.3 c1ccc(cc1)[S-] TS36665 [0,0,0,0,0,1|3,0,0]=4 551 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [0,0,0,0,0,1|2,1,0]=4 552 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [0,0,0,0,0,1|3,0,0]=4 553 B7R1.3 c1ccnc(c1)Cl TS02148 [0,0,0,0,0,1|2,0,0]=3 554 B7R1.3 c1ccnc(c1)F TS60290 [0,0,0,0,0,1|2,0,0]=3 555 B7R1.3 c1ccnc(c1)I TS01085 [0,0,0,0,0,1|2,0,0]=3 556 B7R1.3 c1ccnc(c1)N TS03671 [0,0,0,0,0,1|2,0,0]=3 557 B7R1.3 c1ccnc(c1)O TS03693 [0,0,0,0,0,1|2,0,0]=3 558 B7R1.3 c1ccnc(c1)S TS31885 [0,0,0,0,0,1|2,0,0]=3 559 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [0,0,0,0,0,1|2,0,0]=3 560 B7R1.3 c1ccoc(=O)c1 TS03711 [0,0,0,0,0,1|3,0,0]=4 561 B7R1.3 c1cnc(cn1)Br TS00861 [0,0,0,0,0,1|2,0,0]=3 562 B7R1.3 c1cnc(cn1)Cl TS00954 [0,0,0,0,0,1|2,0,0]=3 563 B7R1.3 c1cnc(cn1)F TS01036 [0,0,0,0,0,1|2,0,0]=3 564 B7R1.3 c1cnc(cn1)N TS00818 [0,0,0,0,0,1|2,0,0]=3 565 B7R1.3 c1cnc(cn1)O TS55403 [0,0,0,0,0,1|2,0,0]=3 566 B7R1.3 c1cnc(cn1)S TS04306 [0,0,0,0,0,1|2,0,0]=3 567 B7R1.3 c1cnc(nc1)Br TS00866 [0,0,0,0,0,1|2,0,0]=3 568 B7R1.3 c1cnc(nc1)Cl TS00959 [0,0,0,0,0,1|2,0,0]=3 569 B7R1.3 c1cnc(nc1)Cl TS00963 [0,0,0,0,0,1|2,0,0]=3 570 B7R1.3 c1cnc(nc1)I TS38910 [0,0,0,0,0,1|2,0,0]=3 571 B7R1.3 c1cnc(nc1)N TS00821 [0,0,0,0,0,1|2,0,0]=3 572 B7R1.3 c1cnc(nc1)O TS13789 [0,0,0,0,0,1|2,0,0]=3 573 B7R1.3 c1cnc(nc1)O TS55405 [0,0,0,0,0,1|2,0,0]=3 574 B7R1.3 c1cnc(nc1)O TS55406 [0,0,0,0,0,1|2,0,0]=3 575 B7R1.3 c1cnc(nc1)S TS55424 [0,0,0,0,0,1|2,0,0]=3 576 B7R1.3 c1cnccc1Br TS57179 [0,0,0,0,0,1|3,0,0]=4 577 B7R1.3 c1cnccc1Cl TS09693 [0,0,0,0,0,1|3,0,0]=4 578 B7R1.3 c1cnccc1I TS09722 [0,0,0,0,0,1|3,0,0]=4 579 B7R1.3 c1cnccc1N TS70921 [0,0,0,0,0,1|3,0,0]=4 580 B7R1.3 c1cnccc1O TS87252 [0,0,0,0,0,1|3,0,0]=4 581 B7R1.3 c1cnccc1S TS31884 [0,0,0,0,0,1|3,0,0]=4 582 B7R1.3 c1cncnc1Br TS09614 [0,0,0,0,0,1|2,0,0]=3 583 B7R1.3 c1cncnc1Cl TS71077 [0,0,0,0,0,1|2,0,0]=3 584 B7R1.3 c1cncnc1Cl TS86366 [0,0,0,0,0,1|2,0,0]=3 585 B7R1.3 c1cncnc1N TS70922 [0,0,0,0,0,1|2,0,0]=3 586 B7R1.3 c1cncnc1O TS03137 [0,0,0,0,0,1|2,0,0]=3 587 B7R1.3 c1cncnc1O TS15021 [0,0,0,0,0,1|2,0,0]=3 588 B7R1.3 c1cncnc1O TS16881 [0,0,0,0,0,1|2,0,0]=3 589 B7R1.3 c1cnnc(n1)N TS03716 [0,0,0,0,0,1|3,0,0]=4 590 B7R1.3 c1cnncc1Br TS59608 [0,0,0,0,0,1|3,0,0]=4 591 B7R1.3 c1cnncc1N TS70920 [0,0,0,0,0,1|3,0,0]=4 592 B7R1.3 c1cnncc1N TS92859 [0,0,0,0,0,1|3,0,0]=4 593 B7R1.3 c1cnncc1O TS03136 [0,0,0,0,0,1|3,0,0]=4 594 B7R1.3 c1coccc1=O TS39928 [0,0,0,0,0,1|2,1,0]=4 595 B7R1.3 c1ncnc(n1)N TS03717 [0,0,0,0,0,1|2,0,0]=3 596 B4R0.1 C=C(C=O)Br TS36903 [1,0,1,0,0,0|1,1,0]=4 597 B4R0.1 C=CC(=C)Cl TS71819 [1,0,1,0,0,0|1,0,1]=4 598 B4R0.1 C=CC(=O)Cl TS33217 [1,0,1,0,0,0|2,0,0]=4 599 B4R0.1 C=CC(=O)N TS45022 [1,0,1,0,0,0|1,0,1]=4 600 B4R0.1 C=CC(=O)O TS71594 [1,0,1,0,0,0|2,0,0]=4 601 B4R0.1 C=CC(=O)[O-] TS03423 [1,0,1,0,0,0|2,0,0]=4 602 B4R0.1 C=CC(=O)[O-] TS10783 [1,0,1,0,0,0|2,0,0]=4 603 B4R0.1 C=CC(=O)[O-] TS14324 [1,0,1,0,0,0|2,0,0]=4 604 B4R0.1 C=CC(=O)[O-] TS38896 [1,0,1,0,0,0|2,0,0]=4 605 B4R0.1 C=CC(=O)[O-] TS43153 [1,0,1,0,0,0|2,0,0]=4 606 B4R0.1 C=CC(=O)[O-] TS43339 [1,0,1,0,0,0|2,0,0]=4 607 B4R0.1 C=CC(=O)[O-] TS57334 [1,0,1,0,0,0|2,0,0]=4 608 B4R0.1 C=CC(=O)[O-] TS71822 [1,0,1,0,0,0|2,0,0]=4 609 B4R0.1 C=CC(=O)[O-] TS80195 [1,0,1,0,0,0|2,0,0]=4 610 B4R0.1 CC(=C)C=C TS00101 [1,0,1,0,0,0|1,0,0]=3 611 B4R0.1 CC(=C)C=O TS71445 [1,0,1,0,0,0|0,1,0]=3 612 B4R0.1 CC(=C)CBr TS65907 [1,0,1,0,0,0|1,0,1]=4 613 B4R0.1 CC(=C)CCl TS00138 [1,0,1,0,0,0|1,0,1]=4 614 B4R0.1 CC(=C)CN TS02169 [1,0,1,0,0,0|1,0,1]=4 615 B4R0.1 CC(=C)CN TS04121 [1,0,1,0,0,0|1,0,1]=4 616 B4R0.1 CC(=C)CO TS00103 [1,0,1,0,0,0|0,1,1]=4 617 B4R0.1 CC(=C)CS TS71814 [1,0,1,0,0,0|0,0,1]=3 618 B4R0.1 CC(=C)OC TS00091 [1,0,1,0,0,0|1,0,1]=4 619 B4R0.1 CC(=C)[Mg]Br TS07128 [1,0,1,0,0,0|2,0,0]=4 620 B4R0.1 CC(=CBr)Br TS37830 [1,0,1,0,0,0|2,0,0]=4 621 B4R0.1 CC(=CBr)C TS36907 [1,0,1,0,0,0|1,0,1]=4 622 B4R0.1 CC(=CCl)Cl TS31870 [1,0,1,0,0,0|2,0,0]=4 623 B4R0.1 CC(=N)OC TS31813 [1,0,1,0,0,0|0,1,1]=4 624 B4R0.1 CC(=NN)C TS71612 [1,0,1,0,0,0|1,0,1]=4 625 B4R0.1 CC(=NO)C TS03378 [1,0,1,0,0,0|0,1,1]=4 626 B4R0.1 CC(=O)C=C TS71414 [1,0,1,0,0,0|1,0,0]=3 627 B4R0.1 CC(=O)C=O TS71593 [1,0,1,0,0,0|1,1,0]=4 628 B4R0.1 CC(=O)SC TS71852 [1,0,1,0,0,0|1,0,1]=4 629 B4R0.1 CC(C=C)Br TS36909 [1,0,1,0,0,0|1,0,1]=4 630 B4R0.1 CC(C=C)Cl TS03635 [1,0,1,0,0,0|1,0,1]=4 631 B4R0.1 CC(C=C)O TS71610 [1,0,1,0,0,0|1,0,1]=4 632 B4R0.1 CC=C(C)Br TS36906 [1,0,1,0,0,0|1,0,1]=4 633 B4R0.1 CC=C(C)C TS03364 [1,0,1,0,0,0|1,0,1]=4 634 B4R0.1 CCC(=C)C TS03363 [1,0,1,0,0,0|1,0,1]=4 635 B4R0.1 CSC(=N)N TS01109 [1,0,1,0,0,0|1,0,1]=4 636 B4R0.1 CSC(=N)N TS49354 [1,0,1,0,0,0|1,0,1]=4 637 B4R0.2 C=CCC=C TS70907 [1,0,1,0,0,0|1,0,1]=4 638 B4R0.2 C=CNC=O TS03372 [1,0,1,0,0,0|0,1,1]=4 639 B4R0.2 C=COC=O TS71590 [1,0,1,0,0,0|1,1,0]=4 640 B4R0.2 CC=CC#C TS66004 [1,0,1,0,0,0|1,0,1]=4 641 B4R0.2 CC=CC=C TS06116 [1,0,1,0,0,0|1,0,0]=3 642 B4R0.2 CC=CC=C TS71007 [1,0,1,0,0,0|1,0,0]=3 643 B4R0.2 CC=CC=O TS16977 [1,0,1,0,0,0|1,0,0]=3 644 B4R0.2 CC=CCCl TS03634 [1,0,1,0,0,0|1,0,1]=4 645 B4R0.2 CC=CCN TS01395 [1,0,1,0,0,0|0,0,2]=4 646 B4R0.2 CC=CCO TS71604 [1,0,1,0,0,0|1,0,1]=4 647 B4R0.2 CC=COC TS71611 [1,0,1,0,0,0|0,1,1]=4 648 B4R0.2 CC=C[Mg]Br TS40351 [1,0,1,0,0,0|2,0,0]=4 649 B4R0.2 CCC=C=C TS70908 [1,0,1,0,0,0|1,0,1]=4 650 B4R0.2 CCC=CBr TS33033 [1,0,1,0,0,0|1,0,1]=4 651 B4R0.2 CCC=CC TS03361 [1,0,1,0,0,0|1,0,1]=4 652 B4R0.2 CCC=CCl TS03636 [1,0,1,0,0,0|1,0,1]=4 653 B4R0.2 CCC=CCl TS03637 [1,0,1,0,0,0|1,0,1]=4 654 B4R0.2 CCOC=C TS71601 [1,0,1,0,0,0|1,0,1]=4 655 B4R0.2 CCSC=C TS71813 [1,0,1,0,0,0|1,0,1]=4 656 B4R0.2 COCC=C TS94286 [1,0,1,0,0,0|2,0,0]=4 657 B4R0.2 CSCC=C TS71811 [1,0,1,0,0,0|2,0,0]=4 658 B6R0.1 CC(=NO)C=NO TS03930 [0,1,1,0,0,0|2,0,0]=4 659 B6R0.1 CC=C(C)CC=C TS03736 [0,1,1,0,0,0|2,0,0]=4 660 B6R0.1 CC=CC(=CC)C TS31385 [0,1,1,0,0,0|2,0,0]=4 661 B6R0.2 CC(=C)OC(=O)C TS03841 [0,1,1,0,0,0|1,1,0]=4 662 B6R0.2 CC(=CC(=C)C)C TS03733 [0,1,1,0,0,0|2,0,0]=4 663 B6R0.3 CC(C=C)C(=C)C TS03723 [0,1,1,0,0,0|2,0,0]=4 664 B6R0.4 CC(=C)CCC=C TS03725 [0,1,1,0,0,0|2,0,0]=4 665 B6R0.4 CC(=CCC=C)C TS03719 [0,1,1,0,0,0|2,0,0]=4 666 B6R0.6 CC=CC=CC#N TS71880 [0,1,1,0,0,0|1,0,1]=4 667 B6R0.6 CC=CC=CC=O TS31368 [0,1,1,0,0,0|2,0,0]=4 668 B6R0.6 CC=CC=CCO TS31427 [0,1,1,0,0,0|2,0,0]=4 669 B6R0.6 CCC=CCC=O TS31443 [0,1,1,0,0,0|2,0,0]=4 670 B6R0.6 CCCSC=CC TS04637 [0,1,1,0,0,0|1,0,1]=4 671 B8R1.2 C#Cc1ccccn1 TS55319 [0,1,0,0,0,1|1,0,1]=4 672 B8R1.2 C#Cc1cccnc1 TS16364 [0,1,0,0,0,1|1,0,1]=4 673 B8R1.2 C#Cc1cccnn1 TS91729 [0,1,0,0,0,1|1,0,1]=4 674 B8R1.2 C#Cc1cnccn1 TS87522 [0,1,0,0,0,1|1,0,1]=4 675 B8R1.2 C#Cc1cncnc1 TS86071 [0,1,0,0,0,1|1,0,1]=4 676 B8R1.2 C=Cc1ccccn1 TS31704 [0,1,0,0,0,1|1,0,1]=4 677 B8R1.2 C=Cc1cccnc1 TS31705 [0,1,0,0,0,1|1,0,1]=4 678 B8R1.2 C=Cc1cnccn1 TS04089 [0,1,0,0,0,1|1,0,1]=4 679 B8R1.2 CCC1=CCC=CC1 TS04142 [0,1,0,0,0,1|2,0,0]=4 680 B8R1.2 CCc1ccccc1 TS04102 [0,1,0,0,0,1|2,0,0]=4 681 B8R1.2 CCc1ccccn1 TS55316 [0,1,0,0,0,1|1,0,0]=3 682 B8R1.2 CCc1cccnc1 TS04113 [0,1,0,0,0,1|1,0,0]=3 683 B8R1.2 CCc1ccncc1 TS04110 [0,1,0,0,0,1|2,0,0]=4 684 B8R1.2 CCc1cnccn1 TS31774 [0,1,0,0,0,1|1,0,0]=3 685 B8R1.2 CNc1ccccc1 TS31758 [0,1,0,0,0,1|2,0,0]=4 686 B8R1.2 CNc1ccccc1 TS40129 [0,1,0,0,0,1|2,0,0]=4 687 B8R1.2 CNc1ccccn1 TS22814 [0,1,0,0,0,1|1,0,0]=3 688 B8R1.2 CNc1cccnc1 TS09432 [0,1,0,0,0,1|1,0,0]=3 689 B8R1.2 CNc1ccncc1 TS16891 [0,1,0,0,0,1|2,0,0]=4 690 B8R1.2 CNc1cnccn1 TS31803 [0,1,0,0,0,1|1,0,0]=3 691 B8R1.2 CNc1ncccn1 TS31802 [0,1,0,0,0,1|1,0,0]=3 692 B8R1.2 COc1ccccc1 TS39801 [0,1,0,0,0,1|2,0,0]=4 693 B8R1.2 COc1cccnn1 TS02827 [0,1,0,0,0,1|1,0,0]=3 694 B8R1.2 COc1ccncc1 TS03163 [0,1,0,0,0,1|2,0,0]=4 695 B8R1.2 COc1ccncn1 TS31815 [0,1,0,0,0,1|1,0,0]=3 696 B8R1.2 COc1cnccn1 TS55429 [0,1,0,0,0,1|1,0,0]=3 697 B8R1.2 COc1ncccn1 TS31823 [0,1,0,0,0,1|1,0,0]=3 698 B8R1.2 CPc1ccccc1 TS32592 [0,1,0,0,0,1|2,0,0]=4 699 B8R1.2 CSc1ccccc1 TS36022 [0,1,0,0,0,1|2,0,0]=4 700 B8R1.2 CSc1ccccn1 TS05101 [0,1,0,0,0,1|1,0,0]=3 701 B8R1.2 CSc1cccnc1 TS05108 [0,1,0,0,0,1|1,0,0]=3 702 B8R1.2 CSc1cnccn1 TS55418 [0,1,0,0,0,1|1,0,0]=3 703 B8R1.2 CSc1ncccn1 TS36144 [0,1,0,0,0,1|1,0,0]=3 704 B8R1.2 CSc1nccnn1 TS70681 [0,1,0,0,0,1|2,0,0]=4 705 B8R1.2 C[NH2+]c1ccccc1 TS49917 [0,1,0,0,0,1|2,0,0]=4 706 B8R1.2 C[SiH2]c1ccccc1 TS04929 [0,1,0,0,0,1|2,0,0]=4 707 B8R1.2 c1c(cncn1)C#N TS03285 [0,1,0,0,0,1|1,0,1]=4 708 B8R1.2 c1c(cncn1)C=O TS01668 [0,1,0,0,0,1|1,0,1]=4 709 B8R1.2 c1c(cncn1)CCl TS91001 [0,1,0,0,0,1|1,0,0]=3 710 B8R1.2 c1c(cncn1)CCl TS91653 [0,1,0,0,0,1|1,0,0]=3 711 B8R1.2 c1c(cncn1)CN TS55503 [0,1,0,0,0,1|1,0,0]=3 712 B8R1.2 c1c(cncn1)CO TS55504 [0,1,0,0,0,1|1,0,0]=3 713 B8R1.2 c1c(cncn1)NN TS90574 [0,1,0,0,0,1|2,0,0]=4 714 B8R1.2 c1cc(cnc1)C#N TS02037 [0,1,0,0,0,1|1,0,1]=4 715 B8R1.2 c1cc(cnc1)CBr TS09437 [0,1,0,0,0,1|1,0,0]=3 716 B8R1.2 c1cc(cnc1)CCl TS00113 [0,1,0,0,0,1|1,0,0]=3 717 B8R1.2 c1cc(cnc1)CCl TS02031 [0,1,0,0,0,1|1,0,0]=3 718 B8R1.2 c1cc(cnc1)CI TS49544 [0,1,0,0,0,1|1,0,0]=3 719 B8R1.2 c1cc(cnc1)CI TS64566 [0,1,0,0,0,1|1,0,0]=3 720 B8R1.2 c1cc(cnc1)CN TS02883 [0,1,0,0,0,1|1,0,0]=3 721 B8R1.2 c1cc(cnc1)CO TS92960 [0,1,0,0,0,1|1,0,0]=3 722 B8R1.2 c1cc(cnc1)CO TS93835 [0,1,0,0,0,1|1,0,0]=3 723 B8R1.2 c1cc(cnc1)NN TS87727 [0,1,0,0,0,1|2,0,0]=4 724 B8R1.2 c1cc(nnc1)C#N TS87766 [0,1,0,0,0,1|1,0,1]=4 725 B8R1.2 c1cc(nnc1)C=O TS59366 [0,1,0,0,0,1|1,0,1]=4 726 B8R1.2 c1cc(nnc1)CCl TS90180 [0,1,0,0,0,1|1,0,0]=3 727 B8R1.2 c1cc(nnc1)CN TS90318 [0,1,0,0,0,1|1,0,0]=3 728 B8R1.2 c1cc(nnc1)CO TS59365 [0,1,0,0,0,1|1,0,0]=3 729 B8R1.2 c1ccc(cc1)CCl TS36191 [0,1,0,0,0,1|2,0,0]=4 730 B8R1.2 c1ccc(cc1)CF TS31826 [0,1,0,0,0,1|2,0,0]=4 731 B8R1.2 c1ccc(cc1)CI TS09176 [0,1,0,0,0,1|2,0,0]=4 732 B8R1.2 c1ccc(cc1)CN TS01379 [0,1,0,0,0,1|2,0,0]=4 733 B8R1.2 c1ccc(cc1)CN TS40124 [0,1,0,0,0,1|2,0,0]=4 734 B8R1.2 c1ccc(cc1)CO TS31769 [0,1,0,0,0,1|2,0,0]=4 735 B8R1.2 c1ccc(cc1)CS TS36023 [0,1,0,0,0,1|2,0,0]=4 736 B8R1.2 c1ccnc(c1)C#N TS59347 [0,1,0,0,0,1|1,0,1]=4 737 B8R1.2 c1ccnc(c1)C=O TS02469 [0,1,0,0,0,1|1,0,1]=4 738 B8R1.2 c1ccnc(c1)CBr TS47083 [0,1,0,0,0,1|1,0,0]=3 739 B8R1.2 c1ccnc(c1)CCl TS47089 [0,1,0,0,0,1|1,0,0]=3 740 B8R1.2 c1ccnc(c1)CCl TS47090 [0,1,0,0,0,1|1,0,0]=3 741 B8R1.2 c1ccnc(c1)CN TS00811 [0,1,0,0,0,1|1,0,0]=3 742 B8R1.2 c1ccnc(c1)CO TS07144 [0,1,0,0,0,1|1,0,0]=3 743 B8R1.2 c1ccnc(c1)CO TS31798 [0,1,0,0,0,1|1,0,0]=3 744 B8R1.2 c1ccnc(c1)CS TS05100 [0,1,0,0,0,1|1,0,0]=3 745 B8R1.2 c1ccnc(c1)NN TS14875 [0,1,0,0,0,1|2,0,0]=4 746 B8R1.2 c1ccnc(c1)NN TS55380 [0,1,0,0,0,1|2,0,0]=4 747 B8R1.2 c1cnc(cn1)C#N TS55308 [0,1,0,0,0,1|1,0,1]=4 748 B8R1.2 c1cnc(cn1)C=O TS31759 [0,1,0,0,0,1|1,0,1]=4 749 B8R1.2 c1cnc(cn1)CCl TS88127 [0,1,0,0,0,1|1,0,0]=3 750 B8R1.2 c1cnc(cn1)CN TS01661 [0,1,0,0,0,1|1,0,0]=3 751 B8R1.2 c1cnc(cn1)CO TS88438 [0,1,0,0,0,1|1,0,0]=3 752 B8R1.2 c1cnc(cn1)CS TS36139 [0,1,0,0,0,1|1,0,0]=3 753 B8R1.2 c1cnc(cn1)NN TS55379 [0,1,0,0,0,1|2,0,0]=4 754 B8R1.2 c1cnc(nc1)C#N TS00975 [0,1,0,0,0,1|1,0,1]=4 755 B8R1.2 c1cnc(nc1)C=O TS02479 [0,1,0,0,0,1|1,0,1]=4 756 B8R1.2 c1cnc(nc1)CCl TS47091 [0,1,0,0,0,1|1,0,0]=3 757 B8R1.2 c1cnc(nc1)CCl TS88108 [0,1,0,0,0,1|1,0,0]=3 758 B8R1.2 c1cnc(nc1)CN TS02480 [0,1,0,0,0,1|1,0,0]=3 759 B8R1.2 c1cnc(nc1)CO TS00517 [0,1,0,0,0,1|1,0,0]=3 760 B8R1.2 c1cnc(nc1)NN TS85548 [0,1,0,0,0,1|2,0,0]=4 761 B8R1.2 c1cnccc1CBr TS39318 [0,1,0,0,0,1|2,0,0]=4 762 B8R1.2 c1cnccc1CCl TS16903 [0,1,0,0,0,1|2,0,0]=4 763 B8R1.2 c1cnccc1CN TS31773 [0,1,0,0,0,1|2,0,0]=4 764 B8R1.2 c1cnccc1CO TS07149 [0,1,0,0,0,1|2,0,0]=4 765 B8R1.2 c1cnccc1CO TS71297 [0,1,0,0,0,1|2,0,0]=4 766 B8R1.2 c1cncnc1C=O TS01666 [0,1,0,0,0,1|1,0,1]=4 767 B8R1.2 c1cncnc1CN TS16892 [0,1,0,0,0,1|1,0,0]=3 768 B8R1.2 c1cncnc1CN TS85609 [0,1,0,0,0,1|1,0,0]=3 769 B8R1.2 c1cncnc1CO TS33139 [0,1,0,0,0,1|1,0,0]=3 770 B8R1.2 c1cnncc1CN TS90837 [0,1,0,0,0,1|2,0,0]=4 771 B8R1.2 c1cnncc1CO TS89532 [0,1,0,0,0,1|2,0,0]=4 772 B8R1.3 CC1=NNC(=O)CC1 TS04298 [0,1,0,0,0,1|1,0,1]=4 773 B8R1.3 Cc1cc[n+](cc1)C TS25680 [0,1,0,0,0,1|2,0,0]=4 774 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [0,1,0,0,0,1|1,0,1]=4 775 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [0,1,0,0,0,1|1,0,0]=3 776 B8R1.3 Cc1ccc(cc1)Br TS09620 [0,1,0,0,0,1|2,0,0]=4 777 B8R1.3 Cc1ccc(cc1)C TS04096 [0,1,0,0,0,1|2,0,0]=4 778 B8R1.3 Cc1ccc(cc1)C TS77016 [0,1,0,0,0,1|2,0,0]=4 779 B8R1.3 Cc1ccc(cc1)Cl TS39593 [0,1,0,0,0,1|2,0,0]=4 780 B8R1.3 Cc1ccc(cc1)F TS31829 [0,1,0,0,0,1|2,0,0]=4 781 B8R1.3 Cc1ccc(cc1)I TS07804 [0,1,0,0,0,1|2,0,0]=4 782 B8R1.3 Cc1ccc(cc1)I TS67797 [0,1,0,0,0,1|2,0,0]=4 783 B8R1.3 Cc1ccc(cc1)N TS04112 [0,1,0,0,0,1|2,0,0]=4 784 B8R1.3 Cc1ccc(cc1)N TS40127 [0,1,0,0,0,1|2,0,0]=4 785 B8R1.3 Cc1ccc(cc1)O TS05157 [0,1,0,0,0,1|2,0,0]=4 786 B8R1.3 Cc1ccc(cc1)O TS94395 [0,1,0,0,0,1|2,0,0]=4 787 B8R1.3 Cc1ccc(cc1)P TS32593 [0,1,0,0,0,1|2,0,0]=4 788 B8R1.3 Cc1ccc(cc1)S TS39763 [0,1,0,0,0,1|2,0,0]=4 789 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [0,1,0,0,0,1|2,0,0]=4 790 B8R1.3 Cc1ccc(cn1)Br TS09799 [0,1,0,0,0,1|1,0,0]=3 791 B8R1.3 Cc1ccc(cn1)Cl TS71507 [0,1,0,0,0,1|1,0,0]=3 792 B8R1.3 Cc1ccc(cn1)F TS03302 [0,1,0,0,0,1|1,0,0]=3 793 B8R1.3 Cc1ccc(cn1)I TS71574 [0,1,0,0,0,1|1,0,0]=3 794 B8R1.3 Cc1ccc(cn1)N TS65872 [0,1,0,0,0,1|1,0,0]=3 795 B8R1.3 Cc1ccc(cn1)O TS71569 [0,1,0,0,0,1|1,0,0]=3 796 B8R1.3 Cc1ccc(nc1)Br TS55127 [0,1,0,0,0,1|1,0,0]=3 797 B8R1.3 Cc1ccc(nc1)C TS47280 [0,1,0,0,0,1|1,0,0]=3 798 B8R1.3 Cc1ccc(nc1)Cl TS00914 [0,1,0,0,0,1|1,0,0]=3 799 B8R1.3 Cc1ccc(nc1)F TS01010 [0,1,0,0,0,1|1,0,0]=3 800 B8R1.3 Cc1ccc(nc1)N TS07049 [0,1,0,0,0,1|1,0,0]=3 801 B8R1.3 Cc1ccc(nc1)N TS47444 [0,1,0,0,0,1|1,0,0]=3 802 B8R1.3 Cc1ccc(nc1)O TS01053 [0,1,0,0,0,1|1,0,0]=3 803 B8R1.3 Cc1ccc(nc1)S TS05105 [0,1,0,0,0,1|1,0,0]=3 804 B8R1.3 Cc1ccc(nn1)Br TS89616 [0,1,0,0,0,1|1,0,0]=3 805 B8R1.3 Cc1ccc(nn1)C TS94711 [0,1,0,0,0,1|1,0,0]=3 806 B8R1.3 Cc1ccc(nn1)Cl TS02708 [0,1,0,0,0,1|1,0,0]=3 807 B8R1.3 Cc1ccc(nn1)I TS85912 [0,1,0,0,0,1|1,0,0]=3 808 B8R1.3 Cc1ccc(nn1)N TS91497 [0,1,0,0,0,1|1,0,0]=3 809 B8R1.3 Cc1ccn(=O)cc1 TS09774 [0,1,0,0,0,1|2,0,0]=4 810 B8R1.3 Cc1cnc(cn1)Br TS89981 [0,1,0,0,0,1|1,0,0]=3 811 B8R1.3 Cc1cnc(cn1)C TS47279 [0,1,0,0,0,1|1,0,0]=3 812 B8R1.3 Cc1cnc(cn1)N TS47443 [0,1,0,0,0,1|1,0,0]=3 813 B8R1.3 Cc1cnc(nc1)Cl TS00915 [0,1,0,0,0,1|1,0,0]=3 814 B8R1.3 Cc1cnc(nc1)N TS47445 [0,1,0,0,0,1|1,0,0]=3 815 B8R1.3 Cc1ncc(cn1)Br TS87704 [0,1,0,0,0,1|1,0,0]=3 816 B8R1.3 Cc1ncc(cn1)N TS03220 [0,1,0,0,0,1|1,0,0]=3 817 B8R1.3 Cc1ncc(cn1)O TS02449 [0,1,0,0,0,1|1,0,0]=3 818 B8R1.3 c1c(cnc(=O)[nH]1)I TS01050 [0,1,0,0,0,1|2,0,0]=4 819 B8R1.3 c1c(cnc(n1)Br)Br TS47251 [0,1,0,0,0,1|2,0,0]=4 820 B8R1.3 c1c(cnc(n1)Br)F TS01773 [0,1,0,0,0,1|2,0,0]=4 821 B8R1.3 c1c(cnc(n1)Br)N TS71354 [0,1,0,0,0,1|2,0,0]=4 822 B8R1.3 c1c(cnc(n1)Br)O TS90862 [0,1,0,0,0,1|2,0,0]=4 823 B8R1.3 c1c(cnc(n1)Cl)Br TS00904 [0,1,0,0,0,1|2,0,0]=4 824 B8R1.3 c1c(cnc(n1)Cl)Br TS93692 [0,1,0,0,0,1|2,0,0]=4 825 B8R1.3 c1c(cnc(n1)Cl)Cl TS00668 [0,1,0,0,0,1|2,0,0]=4 826 B8R1.3 c1c(cnc(n1)Cl)F TS86944 [0,1,0,0,0,1|2,0,0]=4 827 B8R1.3 c1c(cnc(n1)Cl)N TS71358 [0,1,0,0,0,1|2,0,0]=4 828 B8R1.3 c1c(cnc(n1)Cl)O TS55250 [0,1,0,0,0,1|2,0,0]=4 829 B8R1.3 c1c(cnc(n1)F)Br TS39343 [0,1,0,0,0,1|2,0,0]=4 830 B8R1.3 c1c(cnc(n1)F)N TS32005 [0,1,0,0,0,1|2,0,0]=4 831 B8R1.3 c1c(cnc(n1)I)Br TS09787 [0,1,0,0,0,1|2,0,0]=4 832 B8R1.3 c1c(cnc(n1)I)Cl TS71499 [0,1,0,0,0,1|2,0,0]=4 833 B8R1.3 c1c(cnc(n1)N)Br TS09814 [0,1,0,0,0,1|2,0,0]=4 834 B8R1.3 c1c(cnc(n1)N)Cl TS00779 [0,1,0,0,0,1|2,0,0]=4 835 B8R1.3 c1c(cnc(n1)N)I TS47436 [0,1,0,0,0,1|2,0,0]=4 836 B8R1.3 c1c(cnc(n1)N)N TS47241 [0,1,0,0,0,1|2,0,0]=4 837 B8R1.3 c1c(cnc(n1)N)O TS00791 [0,1,0,0,0,1|2,0,0]=4 838 B8R1.3 c1c(cnc(n1)O)Br TS09782 [0,1,0,0,0,1|2,0,0]=4 839 B8R1.3 c1c(cnc(n1)O)Br TS94911 [0,1,0,0,0,1|2,0,0]=4 840 B8R1.3 c1c(cnc(n1)O)Cl TS71497 [0,1,0,0,0,1|2,0,0]=4 841 B8R1.3 c1c(ncc(n1)Br)Br TS47250 [0,1,0,0,0,1|2,0,0]=4 842 B8R1.3 c1c(ncc(n1)Br)Cl TS89584 [0,1,0,0,0,1|2,0,0]=4 843 B8R1.3 c1c(ncc(n1)Br)N TS47430 [0,1,0,0,0,1|2,0,0]=4 844 B8R1.3 c1c(ncc(n1)Br)O TS08345 [0,1,0,0,0,1|2,0,0]=4 845 B8R1.3 c1c(ncc(n1)Cl)Cl TS00665 [0,1,0,0,0,1|2,0,0]=4 846 B8R1.3 c1c(ncc(n1)Cl)N TS00777 [0,1,0,0,0,1|2,0,0]=4 847 B8R1.3 c1c(ncc(n1)Cl)O TS71495 [0,1,0,0,0,1|2,0,0]=4 848 B8R1.3 c1c(ncc(n1)I)Br TS89956 [0,1,0,0,0,1|2,0,0]=4 849 B8R1.3 c1c(nnc(n1)N)Br TS45894 [0,1,0,0,0,1|2,0,0]=4 850 B8R1.3 c1cc(n[nH]c1=O)Cl TS55572 [0,1,0,0,0,1|2,0,0]=4 851 B8R1.3 c1cc(ncc1Br)Br TS25985 [0,1,0,0,0,1|2,0,0]=4 852 B8R1.3 c1cc(ncc1Br)Cl TS71413 [0,1,0,0,0,1|2,0,0]=4 853 B8R1.3 c1cc(ncc1Br)F TS71426 [0,1,0,0,0,1|2,0,0]=4 854 B8R1.3 c1cc(ncc1Br)I TS09786 [0,1,0,0,0,1|2,0,0]=4 855 B8R1.3 c1cc(ncc1Br)N TS47431 [0,1,0,0,0,1|2,0,0]=4 856 B8R1.3 c1cc(ncc1Br)N TS90623 [0,1,0,0,0,1|2,0,0]=4 857 B8R1.3 c1cc(ncc1Br)O TS09781 [0,1,0,0,0,1|2,0,0]=4 858 B8R1.3 c1cc(ncc1Cl)Br TS55123 [0,1,0,0,0,1|2,0,0]=4 859 B8R1.3 c1cc(ncc1Cl)Cl TS00666 [0,1,0,0,0,1|2,0,0]=4 860 B8R1.3 c1cc(ncc1Cl)F TS71487 [0,1,0,0,0,1|2,0,0]=4 861 B8R1.3 c1cc(ncc1Cl)I TS71498 [0,1,0,0,0,1|2,0,0]=4 862 B8R1.3 c1cc(ncc1Cl)N TS00778 [0,1,0,0,0,1|2,0,0]=4 863 B8R1.3 c1cc(ncc1Cl)O TS71496 [0,1,0,0,0,1|2,0,0]=4 864 B8R1.3 c1cc(ncc1F)Br TS08342 [0,1,0,0,0,1|2,0,0]=4 865 B8R1.3 c1cc(ncc1F)Cl TS85452 [0,1,0,0,0,1|2,0,0]=4 866 B8R1.3 c1cc(ncc1F)F TS47260 [0,1,0,0,0,1|2,0,0]=4 867 B8R1.3 c1cc(ncc1F)I TS50245 [0,1,0,0,0,1|2,0,0]=4 868 B8R1.3 c1cc(ncc1F)N TS00788 [0,1,0,0,0,1|2,0,0]=4 869 B8R1.3 c1cc(ncc1F)N TS85448 [0,1,0,0,0,1|2,0,0]=4 870 B8R1.3 c1cc(ncc1F)O TS71538 [0,1,0,0,0,1|2,0,0]=4 871 B8R1.3 c1cc(ncc1I)Br TS08347 [0,1,0,0,0,1|2,0,0]=4 872 B8R1.3 c1cc(ncc1I)Cl TS55251 [0,1,0,0,0,1|2,0,0]=4 873 B8R1.3 c1cc(ncc1I)F TS85441 [0,1,0,0,0,1|2,0,0]=4 874 B8R1.3 c1cc(ncc1I)I TS59927 [0,1,0,0,0,1|2,0,0]=4 875 B8R1.3 c1cc(ncc1I)N TS47435 [0,1,0,0,0,1|2,0,0]=4 876 B8R1.3 c1cc(ncc1I)O TS60294 [0,1,0,0,0,1|2,0,0]=4 877 B8R1.3 c1cc(ncc1N)Br TS65865 [0,1,0,0,0,1|2,0,0]=4 878 B8R1.3 c1cc(ncc1N)Cl TS71356 [0,1,0,0,0,1|2,0,0]=4 879 B8R1.3 c1cc(ncc1N)F TS01234 [0,1,0,0,0,1|2,0,0]=4 880 B8R1.3 c1cc(ncc1N)I TS71363 [0,1,0,0,0,1|2,0,0]=4 881 B8R1.3 c1cc(ncc1N)N TS47239 [0,1,0,0,0,1|2,0,0]=4 882 B8R1.3 c1cc(ncc1N)N TS47240 [0,1,0,0,0,1|2,0,0]=4 883 B8R1.3 c1cc(ncc1N)O TS07283 [0,1,0,0,0,1|2,0,0]=4 884 B8R1.3 c1cc(ncc1N)O TS71362 [0,1,0,0,0,1|2,0,0]=4 885 B8R1.3 c1cc(ncc1O)Br TS08346 [0,1,0,0,0,1|2,0,0]=4 886 B8R1.3 c1cc(ncc1O)Cl TS55249 [0,1,0,0,0,1|2,0,0]=4 887 B8R1.3 c1cc(ncc1O)F TS01000 [0,1,0,0,0,1|2,0,0]=4 888 B8R1.3 c1cc(ncc1O)I TS23214 [0,1,0,0,0,1|2,0,0]=4 889 B8R1.3 c1cc(ncc1O)N TS00790 [0,1,0,0,0,1|2,0,0]=4 890 B8R1.3 c1cc(ncc1O)O TS47263 [0,1,0,0,0,1|2,0,0]=4 891 B8R1.3 c1cc(nnc1Br)Br TS02604 [0,1,0,0,0,1|2,0,0]=4 892 B8R1.3 c1cc(nnc1Cl)Cl TS02605 [0,1,0,0,0,1|2,0,0]=4 893 B8R1.3 c1cc(nnc1Cl)I TS86647 [0,1,0,0,0,1|2,0,0]=4 894 B8R1.3 c1cc(nnc1I)I TS63749 [0,1,0,0,0,1|2,0,0]=4 895 B8R1.3 c1cc(nnc1N)Br TS65863 [0,1,0,0,0,1|2,0,0]=4 896 B8R1.3 c1cc(nnc1N)Cl TS33360 [0,1,0,0,0,1|2,0,0]=4 897 B8R1.3 c1cc(nnc1N)Cl TS65868 [0,1,0,0,0,1|2,0,0]=4 898 B8R1.3 c1cc(nnc1N)I TS90422 [0,1,0,0,0,1|2,0,0]=4 899 B8R1.3 c1cc(nnc1N)N TS07284 [0,1,0,0,0,1|2,0,0]=4 900 B8R1.3 c1cc(nnc1O)Cl TS36566 [0,1,0,0,0,1|2,0,0]=4 901 B8R1.3 c1cc(nnc1O)O TS93162 [0,1,0,0,0,1|2,0,0]=4 902 B8R1.4 CC1=CCC=C(C1)C TS04144 [0,1,0,0,0,1|2,0,0]=4 903 B8R1.4 CC1=CCCC(=O)O1 TS31918 [0,1,0,0,0,1|2,0,0]=4 904 B8R1.4 Cc1cc(=O)[nH]nc1 TS31816 [0,1,0,0,0,1|2,0,0]=4 905 B8R1.4 Cc1cc(ccn1)Br TS20656 [0,1,0,0,0,1|1,0,0]=3 906 B8R1.4 Cc1cc(ccn1)Br TS85446 [0,1,0,0,0,1|1,0,0]=3 907 B8R1.4 Cc1cc(ccn1)Cl TS42660 [0,1,0,0,0,1|1,0,0]=3 908 B8R1.4 Cc1cc(ccn1)Cl TS71029 [0,1,0,0,0,1|1,0,0]=3 909 B8R1.4 Cc1cc(ccn1)F TS04247 [0,1,0,0,0,1|1,0,0]=3 910 B8R1.4 Cc1cc(ccn1)I TS22520 [0,1,0,0,0,1|1,0,0]=3 911 B8R1.4 Cc1cc(ccn1)N TS93456 [0,1,0,0,0,1|1,0,0]=3 912 B8R1.4 Cc1cc(ccn1)O TS03105 [0,1,0,0,0,1|1,0,0]=3 913 B8R1.4 Cc1cc(cnc1)Br TS65935 [0,1,0,0,0,1|1,0,0]=3 914 B8R1.4 Cc1cc(cnc1)C TS31757 [0,1,0,0,0,1|1,0,0]=3 915 B8R1.4 Cc1cc(cnc1)Cl TS66000 [0,1,0,0,0,1|1,0,0]=3 916 B8R1.4 Cc1cc(cnc1)F TS70587 [0,1,0,0,0,1|1,0,0]=3 917 B8R1.4 Cc1cc(cnc1)N TS02653 [0,1,0,0,0,1|1,0,0]=3 918 B8R1.4 Cc1cc(cnc1)O TS70616 [0,1,0,0,0,1|1,0,0]=3 919 B8R1.4 Cc1cc(ncn1)C TS02936 [0,1,0,0,0,1|1,0,0]=3 920 B8R1.4 Cc1cc(ncn1)Cl TS03167 [0,1,0,0,0,1|1,0,0]=3 921 B8R1.4 Cc1cc(ncn1)N TS86037 [0,1,0,0,0,1|1,0,0]=3 922 B8R1.4 Cc1cc(ncn1)O TS71161 [0,1,0,0,0,1|1,0,0]=3 923 B8R1.4 Cc1cc(nnc1)Cl TS00181 [0,1,0,0,0,1|2,0,0]=4 924 B8R1.4 Cc1cc[nH]c(=O)n1 TS87771 [0,1,0,0,0,1|1,0,0]=3 925 B8R1.4 Cc1cccc(c1)Br TS39711 [0,1,0,0,0,1|2,0,0]=4 926 B8R1.4 Cc1cccc(c1)C TS04101 [0,1,0,0,0,1|2,0,0]=4 927 B8R1.4 Cc1cccc(c1)Cl TS36194 [0,1,0,0,0,1|2,0,0]=4 928 B8R1.4 Cc1cccc(c1)F TS31827 [0,1,0,0,0,1|2,0,0]=4 929 B8R1.4 Cc1cccc(c1)I TS49342 [0,1,0,0,0,1|2,0,0]=4 930 B8R1.4 Cc1cccc(c1)N TS04111 [0,1,0,0,0,1|2,0,0]=4 931 B8R1.4 Cc1cccc(c1)N TS40126 [0,1,0,0,0,1|2,0,0]=4 932 B8R1.4 Cc1cccc(c1)O TS31767 [0,1,0,0,0,1|2,0,0]=4 933 B8R1.4 Cc1cccc(c1)S TS05038 [0,1,0,0,0,1|2,0,0]=4 934 B8R1.4 Cc1cccc(n1)Br TS08371 [0,1,0,0,0,1|1,0,0]=3 935 B8R1.4 Cc1cccc(n1)Br TS94756 [0,1,0,0,0,1|1,0,0]=3 936 B8R1.4 Cc1cccc(n1)C TS60248 [0,1,0,0,0,1|1,0,0]=3 937 B8R1.4 Cc1cccc(n1)Cl TS00936 [0,1,0,0,0,1|1,0,0]=3 938 B8R1.4 Cc1cccc(n1)F TS55370 [0,1,0,0,0,1|1,0,0]=3 939 B8R1.4 Cc1cccc(n1)I TS59623 [0,1,0,0,0,1|1,0,0]=3 940 B8R1.4 Cc1cccc(n1)N TS47459 [0,1,0,0,0,1|1,0,0]=3 941 B8R1.4 Cc1cccc(n1)O TS01270 [0,1,0,0,0,1|1,0,0]=3 942 B8R1.4 Cc1cccc(n1)S TS05106 [0,1,0,0,0,1|1,0,0]=3 943 B8R1.4 Cc1cccn(=O)c1 TS02882 [0,1,0,0,0,1|1,0,1]=4 944 B8R1.4 Cc1ccnc(c1)Br TS08333 [0,1,0,0,0,1|2,0,0]=4 945 B8R1.4 Cc1ccnc(c1)C TS07700 [0,1,0,0,0,1|1,0,0]=3 946 B8R1.4 Cc1ccnc(c1)Cl TS55236 [0,1,0,0,0,1|2,0,0]=4 947 B8R1.4 Cc1ccnc(c1)F TS85429 [0,1,0,0,0,1|2,0,0]=4 948 B8R1.4 Cc1ccnc(c1)I TS33096 [0,1,0,0,0,1|2,0,0]=4 949 B8R1.4 Cc1ccnc(c1)O TS01045 [0,1,0,0,0,1|2,0,0]=4 950 B8R1.4 Cc1ccnc(n1)Br TS08334 [0,1,0,0,0,1|1,0,0]=3 951 B8R1.4 Cc1ccnc(n1)Cl TS00889 [0,1,0,0,0,1|1,0,0]=3 952 B8R1.4 Cc1ccnc(n1)N TS47413 [0,1,0,0,0,1|1,0,0]=3 953 B8R1.4 Cc1ccnc(n1)O TS01046 [0,1,0,0,0,1|1,0,0]=3 954 B8R1.4 Cc1ccnc(n1)S TS36140 [0,1,0,0,0,1|1,0,0]=3 955 B8R1.4 Cc1cncc(n1)Br TS08370 [0,1,0,0,0,1|1,0,0]=3 956 B8R1.4 Cc1cncc(n1)C TS31775 [0,1,0,0,0,1|1,0,0]=3 957 B8R1.4 Cc1cncc(n1)Cl TS00934 [0,1,0,0,0,1|1,0,0]=3 958 B8R1.4 Cc1cncc(n1)N TS01269 [0,1,0,0,0,1|1,0,0]=3 959 B8R1.4 Cc1cncc(n1)O TS01059 [0,1,0,0,0,1|1,0,0]=3 960 B8R1.4 Cc1nccc(n1)Cl TS71022 [0,1,0,0,0,1|1,0,0]=3 961 B8R1.4 Cc1nccc(n1)O TS03106 [0,1,0,0,0,1|1,0,0]=3 962 B8R1.4 c1[nH]c(=O)[nH]c(=O)n1 TS16779 [0,1,0,0,0,1|2,0,0]=4 963 B8R1.4 c1[nH]c(=O)nc(n1)N TS71393 [0,1,0,0,0,1|2,0,0]=4 964 B8R1.4 c1c([nH]cnc1=O)S TS05324 [0,1,0,0,0,1|2,0,0]=4 965 B8R1.4 c1c(cn[nH]c1=O)I TS87733 [0,1,0,0,0,1|2,0,0]=4 966 B8R1.4 c1c(cn[nH]c1=O)N TS87794 [0,1,0,0,0,1|2,0,0]=4 967 B8R1.4 c1c(cncc1Br)Br TS02580 [0,1,0,0,0,1|2,0,0]=4 968 B8R1.4 c1c(cncc1Br)Cl TS85436 [0,1,0,0,0,1|2,0,0]=4 969 B8R1.4 c1c(cncc1Br)F TS16987 [0,1,0,0,0,1|2,0,0]=4 970 B8R1.4 c1c(cncc1Br)N TS09813 [0,1,0,0,0,1|2,0,0]=4 971 B8R1.4 c1c(cncc1Br)O TS65929 [0,1,0,0,0,1|2,0,0]=4 972 B8R1.4 c1c(cncc1Cl)Cl TS65794 [0,1,0,0,0,1|2,0,0]=4 973 B8R1.4 c1c(cncc1Cl)F TS65996 [0,1,0,0,0,1|2,0,0]=4 974 B8R1.4 c1c(cncc1Cl)N TS02649 [0,1,0,0,0,1|2,0,0]=4 975 B8R1.4 c1c(cncc1Cl)O TS03267 [0,1,0,0,0,1|2,0,0]=4 976 B8R1.4 c1c(cncc1F)N TS16742 [0,1,0,0,0,1|2,0,0]=4 977 B8R1.4 c1c(cncc1F)N TS85434 [0,1,0,0,0,1|2,0,0]=4 978 B8R1.4 c1c(cncc1F)O TS70584 [0,1,0,0,0,1|2,0,0]=4 979 B8R1.4 c1c(cncc1I)Br TS65930 [0,1,0,0,0,1|2,0,0]=4 980 B8R1.4 c1c(cncc1I)Cl TS57281 [0,1,0,0,0,1|2,0,0]=4 981 B8R1.4 c1c(cncc1I)F TS50246 [0,1,0,0,0,1|2,0,0]=4 982 B8R1.4 c1c(cncc1I)I TS87998 [0,1,0,0,0,1|2,0,0]=4 983 B8R1.4 c1c(cncc1I)N TS02651 [0,1,0,0,0,1|2,0,0]=4 984 B8R1.4 c1c(cncc1N)N TS02192 [0,1,0,0,0,1|2,0,0]=4 985 B8R1.4 c1c(cncc1O)N TS31814 [0,1,0,0,0,1|2,0,0]=4 986 B8R1.4 c1c(cncc1O)O TS02592 [0,1,0,0,0,1|2,0,0]=4 987 B8R1.4 c1c(cnnc1Cl)Cl TS65792 [0,1,0,0,0,1|2,0,0]=4 988 B8R1.4 c1c(cnnc1Cl)N TS88200 [0,1,0,0,0,1|2,0,0]=4 989 B8R1.4 c1c(cnnc1N)Cl TS86851 [0,1,0,0,0,1|2,0,0]=4 990 B8R1.4 c1c(nc(=O)[nH]n1)N TS04280 [0,1,0,0,0,1|2,0,0]=4 991 B8R1.4 c1c(nc(cn1)Br)Cl TS85131 [0,1,0,0,0,1|2,0,0]=4 992 B8R1.4 c1c(nc(cn1)Br)F TS13949 [0,1,0,0,0,1|2,0,0]=4 993 B8R1.4 c1c(nc(cn1)Cl)Cl TS34637 [0,1,0,0,0,1|2,0,0]=4 994 B8R1.4 c1c(nc(cn1)Cl)N TS00803 [0,1,0,0,0,1|2,0,0]=4 995 B8R1.4 c1c(ncnc1Br)Br TS70823 [0,1,0,0,0,1|2,0,0]=4 996 B8R1.4 c1c(ncnc1Cl)Cl TS02916 [0,1,0,0,0,1|2,0,0]=4 997 B8R1.4 c1c(ncnc1Cl)N TS70900 [0,1,0,0,0,1|2,0,0]=4 998 B8R1.4 c1c(ncnc1Cl)O TS08422 [0,1,0,0,0,1|2,0,0]=4 999 B8R1.4 c1c(ncnc1F)F TS04569 [0,1,0,0,0,1|2,0,0]=4 1000 B8R1.4 c1c(ncnc1I)I TS02929 [0,1,0,0,0,1|2,0,0]=4 1001 B8R1.4 c1c(ncnc1N)N TS70822 [0,1,0,0,0,1|2,0,0]=4 1002 B8R1.4 c1c(ncnc1O)O TS70839 [0,1,0,0,0,1|2,0,0]=4 1003 B8R1.4 c1c[nH]c(=O)nc1N TS01407 [0,1,0,0,0,1|2,0,0]=4 1004 B8R1.4 c1cc(nc(c1)Br)Br TS00699 [0,1,0,0,0,1|2,0,0]=4 1005 B8R1.4 c1cc(nc(c1)Br)Cl TS55142 [0,1,0,0,0,1|2,0,0]=4 1006 B8R1.4 c1cc(nc(c1)Br)F TS08361 [0,1,0,0,0,1|2,0,0]=4 1007 B8R1.4 c1cc(nc(c1)Br)N TS00798 [0,1,0,0,0,1|2,0,0]=4 1008 B8R1.4 c1cc(nc(c1)Br)O TS08364 [0,1,0,0,0,1|2,0,0]=4 1009 B8R1.4 c1cc(nc(c1)Cl)Cl TS34640 [0,1,0,0,0,1|2,0,0]=4 1010 B8R1.4 c1cc(nc(c1)Cl)F TS55260 [0,1,0,0,0,1|2,0,0]=4 1011 B8R1.4 c1cc(nc(c1)Cl)N TS00804 [0,1,0,0,0,1|2,0,0]=4 1012 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [0,1,0,0,0,1|2,0,0]=4 1013 B8R1.4 c1cc(nc(c1)F)F TS47310 [0,1,0,0,0,1|2,0,0]=4 1014 B8R1.4 c1cc(nc(c1)F)N TS00806 [0,1,0,0,0,1|2,0,0]=4 1015 B8R1.4 c1cc(nc(c1)F)O TS32004 [0,1,0,0,0,1|2,0,0]=4 1016 B8R1.4 c1cc(nc(c1)I)Br TS54680 [0,1,0,0,0,1|2,0,0]=4 1017 B8R1.4 c1cc(nc(c1)I)Cl TS57280 [0,1,0,0,0,1|2,0,0]=4 1018 B8R1.4 c1cc(nc(c1)I)I TS07928 [0,1,0,0,0,1|2,0,0]=4 1019 B8R1.4 c1cc(nc(c1)I)N TS39789 [0,1,0,0,0,1|2,0,0]=4 1020 B8R1.4 c1cc(nc(c1)N)N TS00686 [0,1,0,0,0,1|2,0,0]=4 1021 B8R1.4 c1cc(nc(c1)N)N TS20354 [0,1,0,0,0,1|2,0,0]=4 1022 B8R1.4 c1cc(nc(c1)O)N TS00808 [0,1,0,0,0,1|2,0,0]=4 1023 B8R1.4 c1cc(nc(c1)O)O TS07388 [0,1,0,0,0,1|2,0,0]=4 1024 B8R1.4 c1cc(nc(c1)O)O TS47313 [0,1,0,0,0,1|2,0,0]=4 1025 B8R1.4 c1cc(nc(c1)S)S TS06879 [0,1,0,0,0,1|2,0,0]=4 1026 B8R1.4 c1cnc([nH]c1=O)N TS47400 [0,1,0,0,0,1|2,0,0]=4 1027 B8R1.4 c1cnc([nH]c1=O)N TS90232 [0,1,0,0,0,1|2,0,0]=4 1028 B8R1.4 c1cnc(cc1Br)Br TS47198 [0,1,0,0,0,1|2,0,0]=4 1029 B8R1.4 c1cnc(cc1Br)Cl TS85435 [0,1,0,0,0,1|2,0,0]=4 1030 B8R1.4 c1cnc(cc1Br)F TS16945 [0,1,0,0,0,1|2,0,0]=4 1031 B8R1.4 c1cnc(cc1Br)I TS54678 [0,1,0,0,0,1|2,0,0]=4 1032 B8R1.4 c1cnc(cc1Br)N TS47392 [0,1,0,0,0,1|2,0,0]=4 1033 B8R1.4 c1cnc(cc1Br)O TS70957 [0,1,0,0,0,1|2,0,0]=4 1034 B8R1.4 c1cnc(cc1Cl)Br TS55100 [0,1,0,0,0,1|2,0,0]=4 1035 B8R1.4 c1cnc(cc1Cl)Cl TS00617 [0,1,0,0,0,1|2,0,0]=4 1036 B8R1.4 c1cnc(cc1Cl)Cl TS85445 [0,1,0,0,0,1|2,0,0]=4 1037 B8R1.4 c1cnc(cc1Cl)F TS03044 [0,1,0,0,0,1|2,0,0]=4 1038 B8R1.4 c1cnc(cc1Cl)N TS00747 [0,1,0,0,0,1|2,0,0]=4 1039 B8R1.4 c1cnc(cc1Cl)O TS03047 [0,1,0,0,0,1|2,0,0]=4 1040 B8R1.4 c1cnc(cc1F)Br TS08322 [0,1,0,0,0,1|2,0,0]=4 1041 B8R1.4 c1cnc(cc1F)Cl TS55216 [0,1,0,0,0,1|2,0,0]=4 1042 B8R1.4 c1cnc(cc1F)F TS47221 [0,1,0,0,0,1|2,0,0]=4 1043 B8R1.4 c1cnc(cc1F)N TS00754 [0,1,0,0,0,1|2,0,0]=4 1044 B8R1.4 c1cnc(cc1F)O TS32002 [0,1,0,0,0,1|2,0,0]=4 1045 B8R1.4 c1cnc(cc1I)Br TS08326 [0,1,0,0,0,1|2,0,0]=4 1046 B8R1.4 c1cnc(cc1I)Cl TS55222 [0,1,0,0,0,1|2,0,0]=4 1047 B8R1.4 c1cnc(cc1I)F TS08421 [0,1,0,0,0,1|2,0,0]=4 1048 B8R1.4 c1cnc(cc1I)I TS63698 [0,1,0,0,0,1|2,0,0]=4 1049 B8R1.4 c1cnc(cc1I)N TS49694 [0,1,0,0,0,1|2,0,0]=4 1050 B8R1.4 c1cnc(cc1N)Br TS70872 [0,1,0,0,0,1|2,0,0]=4 1051 B8R1.4 c1cnc(cc1N)Cl TS75450 [0,1,0,0,0,1|2,0,0]=4 1052 B8R1.4 c1cnc(cc1N)Cl TS89130 [0,1,0,0,0,1|2,0,0]=4 1053 B8R1.4 c1cnc(cc1N)F TS01037 [0,1,0,0,0,1|2,0,0]=4 1054 B8R1.4 c1cnc(cc1N)N TS59371 [0,1,0,0,0,1|2,0,0]=4 1055 B8R1.4 c1cnc(cc1N)O TS02965 [0,1,0,0,0,1|2,0,0]=4 1056 B8R1.4 c1cnc(cc1N)O TS86931 [0,1,0,0,0,1|2,0,0]=4 1057 B8R1.4 c1cnc(cc1O)Br TS08324 [0,1,0,0,0,1|2,0,0]=4 1058 B8R1.4 c1cnc(cc1O)Cl TS55220 [0,1,0,0,0,1|2,0,0]=4 1059 B8R1.4 c1cnc(cc1O)F TS32003 [0,1,0,0,0,1|2,0,0]=4 1060 B8R1.4 c1cnc(cc1O)N TS47399 [0,1,0,0,0,1|2,0,0]=4 1061 B8R1.4 c1cnc(cc1O)O TS04243 [0,1,0,0,0,1|2,0,0]=4 1062 B8R1.4 c1cnc(nc1Br)Br TS57012 [0,1,0,0,0,1|2,0,0]=4 1063 B8R1.4 c1cnc(nc1Br)N TS86309 [0,1,0,0,0,1|2,0,0]=4 1064 B8R1.4 c1cnc(nc1Cl)Cl TS00619 [0,1,0,0,0,1|2,0,0]=4 1065 B8R1.4 c1cnc(nc1Cl)N TS00748 [0,1,0,0,0,1|2,0,0]=4 1066 B8R1.4 c1cnc(nc1F)F TS32174 [0,1,0,0,0,1|2,0,0]=4 1067 B8R1.4 c1cnc(nc1N)Cl TS02958 [0,1,0,0,0,1|2,0,0]=4 1068 B8R1.4 c1cnc(nc1N)N TS31825 [0,1,0,0,0,1|2,0,0]=4 1069 B8R1.4 c1cnc(nc1N)S TS05272 [0,1,0,0,0,1|2,0,0]=4 1070 B8R1.4 c1cnc(nc1O)N TS04245 [0,1,0,0,0,1|2,0,0]=4 1071 B8R1.4 c1cnc(nc1O)O TS39605 [0,1,0,0,0,1|2,0,0]=4 1072 B8R1.4 c1nc(nc(n1)Cl)Cl TS00599 [0,1,0,0,0,1|2,0,0]=4 1073 B8R1.4 c1nc(nc(n1)N)N TS04246 [0,1,0,0,0,1|2,0,0]=4 1074 B8R1.5 Cc1c(cccn1)Br TS65908 [0,1,0,0,0,1|1,0,0]=3 1075 B8R1.5 Cc1c(cccn1)Cl TS65978 [0,1,0,0,0,1|1,0,0]=3 1076 B8R1.5 Cc1c(cccn1)F TS70573 [0,1,0,0,0,1|1,0,0]=3 1077 B8R1.5 Cc1c(cccn1)I TS02809 [0,1,0,0,0,1|1,0,0]=3 1078 B8R1.5 Cc1c(cccn1)N TS31778 [0,1,0,0,0,1|1,0,0]=3 1079 B8R1.5 Cc1c(cccn1)O TS87617 [0,1,0,0,0,1|1,0,0]=3 1080 B8R1.5 Cc1c(cncn1)Br TS17002 [0,1,0,0,0,1|1,0,0]=3 1081 B8R1.5 Cc1c(cncn1)N TS03237 [0,1,0,0,0,1|1,0,0]=3 1082 B8R1.5 Cc1c(nccn1)Br TS08309 [0,1,0,0,0,1|1,0,0]=3 1083 B8R1.5 Cc1c(nccn1)C TS47169 [0,1,0,0,0,1|1,0,0]=3 1084 B8R1.5 Cc1c(nccn1)Cl TS55202 [0,1,0,0,0,1|1,0,0]=3 1085 B8R1.5 Cc1c(nccn1)I TS89593 [0,1,0,0,0,1|1,0,0]=3 1086 B8R1.5 Cc1c(nccn1)N TS00719 [0,1,0,0,0,1|1,0,0]=3 1087 B8R1.5 Cc1c(nccn1)O TS55386 [0,1,0,0,0,1|1,0,0]=3 1088 B8R1.5 Cc1ccc[nH]c1=O TS55401 [0,1,0,0,0,1|1,0,1]=4 1089 B8R1.5 Cc1cccc[n+]1C TS25681 [0,1,0,0,0,1|1,0,1]=4 1090 B8R1.5 Cc1ccccc1Br TS00024 [0,1,0,0,0,1|2,0,0]=4 1091 B8R1.5 Cc1ccccc1C TS04099 [0,1,0,0,0,1|2,0,0]=4 1092 B8R1.5 Cc1ccccc1Cl TS36192 [0,1,0,0,0,1|2,0,0]=4 1093 B8R1.5 Cc1ccccc1F TS31828 [0,1,0,0,0,1|2,0,0]=4 1094 B8R1.5 Cc1ccccc1I TS49343 [0,1,0,0,0,1|2,0,0]=4 1095 B8R1.5 Cc1ccccc1N TS40130 [0,1,0,0,0,1|2,0,0]=4 1096 B8R1.5 Cc1ccccc1N TS46845 [0,1,0,0,0,1|2,0,0]=4 1097 B8R1.5 Cc1ccccc1O TS31768 [0,1,0,0,0,1|2,0,0]=4 1098 B8R1.5 Cc1ccccc1S TS05037 [0,1,0,0,0,1|2,0,0]=4 1099 B8R1.5 Cc1ccccn1=O TS00106 [0,1,0,0,0,1|1,0,1]=4 1100 B8R1.5 Cc1cccnc1Br TS08310 [0,1,0,0,0,1|1,0,0]=3 1101 B8R1.5 Cc1cccnc1C TS07903 [0,1,0,0,0,1|1,0,0]=3 1102 B8R1.5 Cc1cccnc1Cl TS55203 [0,1,0,0,0,1|1,0,0]=3 1103 B8R1.5 Cc1cccnc1F TS08402 [0,1,0,0,0,1|1,0,0]=3 1104 B8R1.5 Cc1cccnc1I TS01069 [0,1,0,0,0,1|1,0,0]=3 1105 B8R1.5 Cc1cccnc1N TS00720 [0,1,0,0,0,1|1,0,0]=3 1106 B8R1.5 Cc1cccnc1N TS01794 [0,1,0,0,0,1|1,0,0]=3 1107 B8R1.5 Cc1cccnc1O TS31800 [0,1,0,0,0,1|1,0,0]=3 1108 B8R1.5 Cc1cccnc1[Zn+] TS26092 [0,1,0,0,0,1|1,0,0]=3 1109 B8R1.5 Cc1ccn[nH]c1=O TS70611 [0,1,0,0,0,1|2,0,0]=4 1110 B8R1.5 Cc1ccncc1Br TS09458 [0,1,0,0,0,1|2,0,0]=4 1111 B8R1.5 Cc1ccncc1C TS00124 [0,1,0,0,0,1|1,0,0]=3 1112 B8R1.5 Cc1ccncc1Cl TS65986 [0,1,0,0,0,1|2,0,0]=4 1113 B8R1.5 Cc1ccncc1F TS70582 [0,1,0,0,0,1|2,0,0]=4 1114 B8R1.5 Cc1ccncc1N TS02641 [0,1,0,0,0,1|2,0,0]=4 1115 B8R1.5 Cc1ccncc1O TS03183 [0,1,0,0,0,1|2,0,0]=4 1116 B8R1.5 Cc1ccnnc1Cl TS02026 [0,1,0,0,0,1|2,0,0]=4 1117 B8R1.5 Cc1cnccc1Br TS39326 [0,1,0,0,0,1|1,0,0]=3 1118 B8R1.5 Cc1cnccc1Br TS88793 [0,1,0,0,0,1|1,0,0]=3 1119 B8R1.5 Cc1cnccc1F TS71122 [0,1,0,0,0,1|1,0,0]=3 1120 B8R1.5 Cc1cnccc1N TS70892 [0,1,0,0,0,1|1,0,0]=3 1121 B8R1.5 Cc1cnccc1O TS70666 [0,1,0,0,0,1|1,0,0]=3 1122 B8R1.5 Cc1cncnc1Cl TS71045 [0,1,0,0,0,1|1,0,0]=3 1123 B8R1.5 Cc1cncnc1O TS59515 [0,1,0,0,0,1|1,0,0]=3 1124 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [0,1,0,0,0,1|2,0,0]=4 1125 B8R1.5 c1c(c(ncn1)Br)F TS13948 [0,1,0,0,0,1|2,0,0]=4 1126 B8R1.5 c1c(c(ncn1)Cl)Br TS86680 [0,1,0,0,0,1|2,0,0]=4 1127 B8R1.5 c1c(c(ncn1)Cl)Cl TS02902 [0,1,0,0,0,1|2,0,0]=4 1128 B8R1.5 c1c(c(ncn1)Cl)I TS71042 [0,1,0,0,0,1|2,0,0]=4 1129 B8R1.5 c1c(c(ncn1)Cl)N TS03235 [0,1,0,0,0,1|2,0,0]=4 1130 B8R1.5 c1c(c(ncn1)I)Br TS85773 [0,1,0,0,0,1|2,0,0]=4 1131 B8R1.5 c1c(c(ncn1)N)Br TS02982 [0,1,0,0,0,1|2,0,0]=4 1132 B8R1.5 c1c(c(ncn1)N)N TS02893 [0,1,0,0,0,1|2,0,0]=4 1133 B8R1.5 c1c(c(ncn1)O)Br TS91053 [0,1,0,0,0,1|2,0,0]=4 1134 B8R1.5 c1c(c(ncn1)O)Cl TS86679 [0,1,0,0,0,1|2,0,0]=4 1135 B8R1.5 c1c(c(ncn1)O)F TS03316 [0,1,0,0,0,1|2,0,0]=4 1136 B8R1.5 c1c(c(ncn1)O)I TS91520 [0,1,0,0,0,1|2,0,0]=4 1137 B8R1.5 c1cc(c(nc1)Br)Br TS47142 [0,1,0,0,0,1|2,0,0]=4 1138 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [0,1,0,0,0,1|2,0,0]=4 1139 B8R1.5 c1cc(c(nc1)Br)F TS08302 [0,1,0,0,0,1|2,0,0]=4 1140 B8R1.5 c1cc(c(nc1)Br)N TS02623 [0,1,0,0,0,1|2,0,0]=4 1141 B8R1.5 c1cc(c(nc1)Br)N TS20796 [0,1,0,0,0,1|2,0,0]=4 1142 B8R1.5 c1cc(c(nc1)Br)O TS08304 [0,1,0,0,0,1|2,0,0]=4 1143 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [0,1,0,0,0,1|2,0,0]=4 1144 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [0,1,0,0,0,1|2,0,0]=4 1145 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [0,1,0,0,0,1|2,0,0]=4 1146 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [0,1,0,0,0,1|2,0,0]=4 1147 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [0,1,0,0,0,1|2,0,0]=4 1148 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [0,1,0,0,0,1|2,0,0]=4 1149 B8R1.5 c1cc(c(nc1)F)Br TS16866 [0,1,0,0,0,1|2,0,0]=4 1150 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [0,1,0,0,0,1|2,0,0]=4 1151 B8R1.5 c1cc(c(nc1)F)F TS00561 [0,1,0,0,0,1|2,0,0]=4 1152 B8R1.5 c1cc(c(nc1)F)I TS55327 [0,1,0,0,0,1|2,0,0]=4 1153 B8R1.5 c1cc(c(nc1)F)N TS02630 [0,1,0,0,0,1|2,0,0]=4 1154 B8R1.5 c1cc(c(nc1)F)N TS40702 [0,1,0,0,0,1|2,0,0]=4 1155 B8R1.5 c1cc(c(nc1)F)O TS55326 [0,1,0,0,0,1|2,0,0]=4 1156 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [0,1,0,0,0,1|2,0,0]=4 1157 B8R1.5 c1cc(c(nc1)I)F TS70569 [0,1,0,0,0,1|2,0,0]=4 1158 B8R1.5 c1cc(c(nc1)I)I TS63699 [0,1,0,0,0,1|2,0,0]=4 1159 B8R1.5 c1cc(c(nc1)I)N TS02634 [0,1,0,0,0,1|2,0,0]=4 1160 B8R1.5 c1cc(c(nc1)I)O TS01068 [0,1,0,0,0,1|2,0,0]=4 1161 B8R1.5 c1cc(c(nc1)N)Br TS08286 [0,1,0,0,0,1|2,0,0]=4 1162 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [0,1,0,0,0,1|2,0,0]=4 1163 B8R1.5 c1cc(c(nc1)N)F TS47362 [0,1,0,0,0,1|2,0,0]=4 1164 B8R1.5 c1cc(c(nc1)N)I TS47370 [0,1,0,0,0,1|2,0,0]=4 1165 B8R1.5 c1cc(c(nc1)N)N TS00550 [0,1,0,0,0,1|2,0,0]=4 1166 B8R1.5 c1cc(c(nc1)N)O TS07282 [0,1,0,0,0,1|2,0,0]=4 1167 B8R1.5 c1cc(c(nc1)N)O TS47366 [0,1,0,0,0,1|2,0,0]=4 1168 B8R1.5 c1cc(c(nc1)N)S TS36141 [0,1,0,0,0,1|2,0,0]=4 1169 B8R1.5 c1cc(c(nc1)O)Br TS09496 [0,1,0,0,0,1|2,0,0]=4 1170 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [0,1,0,0,0,1|2,0,0]=4 1171 B8R1.5 c1cc(c(nc1)O)F TS70564 [0,1,0,0,0,1|2,0,0]=4 1172 B8R1.5 c1cc(c(nc1)O)N TS31820 [0,1,0,0,0,1|2,0,0]=4 1173 B8R1.5 c1cc(c(nc1)O)O TS04242 [0,1,0,0,0,1|2,0,0]=4 1174 B8R1.5 c1cc(c(nc1)S)O TS05265 [0,1,0,0,0,1|2,0,0]=4 1175 B8R1.5 c1cn[nH]c(=O)c1Cl TS90743 [0,1,0,0,0,1|2,0,0]=4 1176 B8R1.5 c1cnc(c(n1)Cl)Cl TS47153 [0,1,0,0,0,1|2,0,0]=4 1177 B8R1.5 c1cnc(c(n1)N)Br TS08285 [0,1,0,0,0,1|2,0,0]=4 1178 B8R1.5 c1cnc(c(n1)N)Cl TS05505 [0,1,0,0,0,1|2,0,0]=4 1179 B8R1.5 c1cnc(c(n1)N)N TS00549 [0,1,0,0,0,1|2,0,0]=4 1180 B8R1.5 c1cnc(c(n1)O)O TS04272 [0,1,0,0,0,1|2,0,0]=4 1181 B8R1.5 c1cncc(c1Br)Br TS02534 [0,1,0,0,0,1|2,0,0]=4 1182 B8R1.5 c1cncc(c1Br)Cl TS09572 [0,1,0,0,0,1|2,0,0]=4 1183 B8R1.5 c1cncc(c1Br)F TS88832 [0,1,0,0,0,1|2,0,0]=4 1184 B8R1.5 c1cncc(c1Br)I TS54679 [0,1,0,0,0,1|2,0,0]=4 1185 B8R1.5 c1cncc(c1Br)N TS65852 [0,1,0,0,0,1|2,0,0]=4 1186 B8R1.5 c1cncc(c1Br)O TS09582 [0,1,0,0,0,1|2,0,0]=4 1187 B8R1.5 c1cncc(c1Cl)Br TS52758 [0,1,0,0,0,1|2,0,0]=4 1188 B8R1.5 c1cncc(c1Cl)Br TS65918 [0,1,0,0,0,1|2,0,0]=4 1189 B8R1.5 c1cncc(c1Cl)Cl TS15363 [0,1,0,0,0,1|2,0,0]=4 1190 B8R1.5 c1cncc(c1Cl)Cl TS65745 [0,1,0,0,0,1|2,0,0]=4 1191 B8R1.5 c1cncc(c1Cl)I TS57279 [0,1,0,0,0,1|2,0,0]=4 1192 B8R1.5 c1cncc(c1Cl)N TS65854 [0,1,0,0,0,1|2,0,0]=4 1193 B8R1.5 c1cncc(c1Cl)O TS09640 [0,1,0,0,0,1|2,0,0]=4 1194 B8R1.5 c1cncc(c1F)Br TS09450 [0,1,0,0,0,1|2,0,0]=4 1195 B8R1.5 c1cncc(c1F)Cl TS36634 [0,1,0,0,0,1|2,0,0]=4 1196 B8R1.5 c1cncc(c1F)F TS32143 [0,1,0,0,0,1|2,0,0]=4 1197 B8R1.5 c1cncc(c1I)Cl TS02697 [0,1,0,0,0,1|2,0,0]=4 1198 B8R1.5 c1cncc(c1I)Cl TS85392 [0,1,0,0,0,1|2,0,0]=4 1199 B8R1.5 c1cncc(c1I)F TS50244 [0,1,0,0,0,1|2,0,0]=4 1200 B8R1.5 c1cncc(c1I)N TS09721 [0,1,0,0,0,1|2,0,0]=4 1201 B8R1.5 c1cncc(c1I)N TS88838 [0,1,0,0,0,1|2,0,0]=4 1202 B8R1.5 c1cncc(c1N)F TS70882 [0,1,0,0,0,1|2,0,0]=4 1203 B8R1.5 c1cncc(c1N)F TS85432 [0,1,0,0,0,1|2,0,0]=4 1204 B8R1.5 c1cncc(c1N)I TS70887 [0,1,0,0,0,1|2,0,0]=4 1205 B8R1.5 c1cncc(c1N)N TS02530 [0,1,0,0,0,1|2,0,0]=4 1206 B8R1.5 c1cncc(c1O)Br TS09465 [0,1,0,0,0,1|2,0,0]=4 1207 B8R1.5 c1cncc(c1O)Cl TS02695 [0,1,0,0,0,1|2,0,0]=4 1208 B8R1.5 c1cncc(c1O)F TS02748 [0,1,0,0,0,1|2,0,0]=4 1209 B8R1.5 c1cncc(c1O)N TS65860 [0,1,0,0,0,1|2,0,0]=4 1210 B8R1.5 c1cncc(c1O)O TS59374 [0,1,0,0,0,1|2,0,0]=4 1211 B8R1.5 c1cnnc(c1Cl)Cl TS90584 [0,1,0,0,0,1|2,0,0]=4 1212 B8R1.1 C#Cc1cc(sc1)Cl TS91416 [0,2,0,0,0,0|1,0,1]=4 1213 B8R1.1 C(c1nc(sn1)Cl)Cl TS44960 [0,2,0,0,0,0|1,0,0]=3 1214 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,2,0,0,0,0|2,0,0]=4 1215 B8R1.1 CCc1[nH]cc(n1)C TS04212 [0,2,0,0,0,0|1,0,0]=3 1216 B8R1.1 CCc1[nH]cc(n1)C TS45131 [0,2,0,0,0,0|1,0,0]=3 1217 B8R1.1 CCc1cc([nH]n1)N TS03228 [0,2,0,0,0,0|2,0,0]=4 1218 B8R1.1 CCc1ccc(s1)C TS36173 [0,2,0,0,0,0|2,0,0]=4 1219 B8R1.1 CCc1cnc(s1)N TS36320 [0,2,0,0,0,0|2,0,0]=4 1220 B8R1.1 CCc1nc(cs1)C TS36248 [0,2,0,0,0,0|0,0,0]=2 1221 B8R1.1 CCc1nc(sn1)Cl TS07513 [0,2,0,0,0,0|1,0,0]=3 1222 B8R1.1 CCc1nc(sn1)N TS05473 [0,2,0,0,0,0|1,0,0]=3 1223 B8R1.1 CCn1cc(cn1)Br TS13620 [0,2,0,0,0,0|2,0,0]=4 1224 B8R1.1 CCn1cc(cn1)N TS31878 [0,2,0,0,0,0|2,0,0]=4 1225 B8R1.1 COc1nc(cs1)Br TS17762 [0,2,0,0,0,0|1,0,0]=3 1226 B8R1.1 COc1ncc(s1)Br TS09792 [0,2,0,0,0,0|2,0,0]=4 1227 B8R1.1 CSc1[nH]nc(n1)N TS36490 [0,2,0,0,0,0|2,0,0]=4 1228 B8R1.1 CSc1nc(cs1)Br TS43733 [0,2,0,0,0,0|1,0,0]=3 1229 B8R1.1 CSc1nc(ns1)Br TS43955 [0,2,0,0,0,0|2,0,0]=4 1230 B8R1.1 CSc1nc(ns1)N TS40576 [0,2,0,0,0,0|2,0,0]=4 1231 B8R1.1 CSc1nc(ns1)O TS07484 [0,2,0,0,0,0|2,0,0]=4 1232 B8R1.1 CSc1nc(on1)N TS36585 [0,2,0,0,0,0|1,1,0]=4 1233 B8R1.1 CSc1nc(sn1)N TS40575 [0,2,0,0,0,0|1,0,0]=3 1234 B8R1.1 CSc1nc(sn1)S TS42812 [0,2,0,0,0,0|1,0,0]=3 1235 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [0,2,0,0,0,0|1,0,1]=4 1236 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [0,2,0,0,0,0|1,0,0]=3 1237 B8R1.1 Cc1c[nH]c(n1)CN TS46548 [0,2,0,0,0,0|1,0,0]=3 1238 B8R1.1 Cc1cc(no1)CBr TS46034 [0,2,0,0,0,0|2,0,0]=4 1239 B8R1.1 Cc1cc(no1)CCl TS09438 [0,2,0,0,0,0|2,0,0]=4 1240 B8R1.1 Cc1cc(no1)CN TS08056 [0,2,0,0,0,0|2,0,0]=4 1241 B8R1.1 Cc1cc(no1)CO TS70625 [0,2,0,0,0,0|2,0,0]=4 1242 B8R1.1 Cc1cc(oc1)CN TS89029 [0,2,0,0,0,0|1,1,0]=4 1243 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,2,0,0,0,0|1,0,0]=3 1244 B8R1.1 Cc1cc(sc1)CN TS36247 [0,2,0,0,0,0|1,0,0]=3 1245 B8R1.1 Cc1cc(sc1)CO TS05369 [0,2,0,0,0,0|1,0,0]=3 1246 B8R1.1 Cc1ccc(o1)C=O TS29447 [0,2,0,0,0,0|2,0,0]=4 1247 B8R1.1 Cc1ccc(o1)CBr TS13614 [0,2,0,0,0,0|2,0,0]=4 1248 B8R1.1 Cc1ccc(o1)CN TS31873 [0,2,0,0,0,0|2,0,0]=4 1249 B8R1.1 Cc1ccc(o1)CO TS39784 [0,2,0,0,0,0|2,0,0]=4 1250 B8R1.1 Cc1ccc(s1)C#N TS86062 [0,2,0,0,0,0|2,0,0]=4 1251 B8R1.1 Cc1ccc(s1)C=O TS01147 [0,2,0,0,0,0|2,0,0]=4 1252 B8R1.1 Cc1ccc(s1)CN TS36252 [0,2,0,0,0,0|2,0,0]=4 1253 B8R1.1 Cc1coc(n1)C=O TS90033 [0,2,0,0,0,0|0,1,0]=3 1254 B8R1.1 Cc1csc(n1)C#N TS85639 [0,2,0,0,0,0|0,0,0]=2 1255 B8R1.1 Cc1csc(n1)C=O TS86523 [0,2,0,0,0,0|0,0,0]=2 1256 B8R1.1 Cc1nc(cs1)C#N TS39286 [0,2,0,0,0,0|0,0,1]=3 1257 B8R1.1 Cc1nc(cs1)C=O TS55442 [0,2,0,0,0,0|0,0,1]=3 1258 B8R1.1 Cc1nc(cs1)CCl TS15219 [0,2,0,0,0,0|0,0,0]=2 1259 B8R1.1 Cc1nc(cs1)CCl TS46478 [0,2,0,0,0,0|0,0,0]=2 1260 B8R1.1 Cc1nc(cs1)CN TS36319 [0,2,0,0,0,0|0,0,0]=2 1261 B8R1.1 Cc1nc(no1)CN TS04378 [0,2,0,0,0,0|1,1,0]=4 1262 B8R1.1 Cc1ncc(o1)C=O TS02441 [0,2,0,0,0,0|2,0,0]=4 1263 B8R1.1 Cc1ncc(s1)OC TS05467 [0,2,0,0,0,0|2,0,0]=4 1264 B8R1.1 Cn1cc(cn1)C#N TS89916 [0,2,0,0,0,0|2,0,0]=4 1265 B8R1.1 Cn1cc(cn1)C=O TS00477 [0,2,0,0,0,0|2,0,0]=4 1266 B8R1.1 Cn1cc(cn1)CN TS02999 [0,2,0,0,0,0|2,0,0]=4 1267 B8R1.1 Cn1cc(cn1)CO TS32833 [0,2,0,0,0,0|2,0,0]=4 1268 B8R1.1 Cn1cc(nc1)C#N TS31755 [0,2,0,0,0,0|1,0,1]=4 1269 B8R1.1 Cn1cc(nc1)C=O TS31819 [0,2,0,0,0,0|1,0,1]=4 1270 B8R1.1 Cn1cc(nc1)CN TS64969 [0,2,0,0,0,0|1,0,0]=3 1271 B8R1.1 Cn1cc(nc1)CO TS04287 [0,2,0,0,0,0|1,0,0]=3 1272 B8R1.1 Cn1ccc(n1)C#N TS31756 [0,2,0,0,0,0|2,0,0]=4 1273 B8R1.1 Cn1ccc(n1)C=O TS00048 [0,2,0,0,0,0|2,0,0]=4 1274 B8R1.1 Cn1ccc(n1)CBr TS13618 [0,2,0,0,0,0|2,0,0]=4 1275 B8R1.1 Cn1ccc(n1)CN TS90297 [0,2,0,0,0,0|2,0,0]=4 1276 B8R1.1 Cn1ccc(n1)CO TS88082 [0,2,0,0,0,0|2,0,0]=4 1277 B8R1.1 Cn1cnc(n1)CCl TS05682 [0,2,0,0,0,0|2,0,0]=4 1278 B8R1.1 Cn1cnc(n1)CN TS91994 [0,2,0,0,0,0|2,0,0]=4 1279 B8R1.1 Cn1cnc(n1)CO TS91728 [0,2,0,0,0,0|2,0,0]=4 1280 B8R1.1 c1c(csc1Br)C#N TS86351 [0,2,0,0,0,0|1,0,1]=4 1281 B8R1.1 c1c(csc1Br)C=O TS90833 [0,2,0,0,0,0|1,0,1]=4 1282 B8R1.1 c1c(csc1Br)CN TS91257 [0,2,0,0,0,0|1,0,0]=3 1283 B8R1.1 c1c(csc1C#N)Br TS89850 [0,2,0,0,0,0|2,0,0]=4 1284 B8R1.1 c1c(csc1C#N)Cl TS86442 [0,2,0,0,0,0|2,0,0]=4 1285 B8R1.1 c1c(csc1C=O)Br TS70971 [0,2,0,0,0,0|2,0,0]=4 1286 B8R1.1 c1c(csc1C=O)Cl TS88146 [0,2,0,0,0,0|2,0,0]=4 1287 B8R1.1 c1c(csc1CN)Br TS89953 [0,2,0,0,0,0|2,0,0]=4 1288 B8R1.1 c1c(csc1CN)Cl TS87176 [0,2,0,0,0,0|2,0,0]=4 1289 B8R1.1 c1c(csc1CO)Br TS59852 [0,2,0,0,0,0|2,0,0]=4 1290 B8R1.1 c1c(csc1CO)Cl TS89056 [0,2,0,0,0,0|2,0,0]=4 1291 B8R1.1 c1c(csc1Cl)C#N TS89762 [0,2,0,0,0,0|1,0,1]=4 1292 B8R1.1 c1c(csc1Cl)C=O TS87564 [0,2,0,0,0,0|1,0,1]=4 1293 B8R1.1 c1c(csc1Cl)CN TS86823 [0,2,0,0,0,0|1,0,0]=3 1294 B8R1.1 c1c(csc1Cl)CO TS86398 [0,2,0,0,0,0|1,0,0]=3 1295 B8R1.1 c1c(nc(o1)Cl)CBr TS18342 [0,2,0,0,0,0|0,1,0]=3 1296 B8R1.1 c1c(nc(o1)Cl)CO TS46507 [0,2,0,0,0,0|0,1,0]=3 1297 B8R1.1 c1c(nc(s1)Br)C=O TS55176 [0,2,0,0,0,0|0,0,1]=3 1298 B8R1.1 c1c(nc(s1)Br)CO TS55177 [0,2,0,0,0,0|0,0,0]=2 1299 B8R1.1 c1c(nc(s1)C#N)Cl TS85866 [0,2,0,0,0,0|1,0,0]=3 1300 B8R1.1 c1c(nc(s1)C=O)Br TS51392 [0,2,0,0,0,0|1,0,0]=3 1301 B8R1.1 c1c(nc(s1)N)C#N TS00750 [0,2,0,0,0,0|0,0,1]=3 1302 B8R1.1 c1c(nc(s1)N)CCl TS00746 [0,2,0,0,0,0|0,0,0]=2 1303 B8R1.1 c1c(nc(s1)N)CCl TS07512 [0,2,0,0,0,0|0,0,0]=2 1304 B8R1.1 c1c(nc(s1)N)CO TS46502 [0,2,0,0,0,0|0,0,0]=2 1305 B8R1.1 c1c(sc(n1)Br)CBr TS67944 [0,2,0,0,0,0|2,0,0]=4 1306 B8R1.1 c1c(sc(n1)Br)CO TS55179 [0,2,0,0,0,0|2,0,0]=4 1307 B8R1.1 c1c(sc(n1)CN)Br TS92842 [0,2,0,0,0,0|2,0,0]=4 1308 B8R1.1 c1c(sc(n1)CN)Cl TS92285 [0,2,0,0,0,0|2,0,0]=4 1309 B8R1.1 c1c(sc(n1)CO)Br TS89097 [0,2,0,0,0,0|2,0,0]=4 1310 B8R1.1 c1c(sc(n1)CO)Cl TS92193 [0,2,0,0,0,0|2,0,0]=4 1311 B8R1.1 c1c(sc(n1)Cl)CCl TS00896 [0,2,0,0,0,0|2,0,0]=4 1312 B8R1.1 c1c(sc(n1)Cl)CN TS00907 [0,2,0,0,0,0|2,0,0]=4 1313 B8R1.1 c1cc(sc1CCl)Cl TS12342 [0,2,0,0,0,0|2,0,0]=4 1314 B8R1.1 c1cc(sc1CN)Br TS16792 [0,2,0,0,0,0|2,0,0]=4 1315 B8R1.1 c1cc(sc1CN)Cl TS07393 [0,2,0,0,0,0|2,0,0]=4 1316 B8R1.1 c1cc(sc1CN)F TS91365 [0,2,0,0,0,0|2,0,0]=4 1317 B8R1.1 c1cc(sc1CO)Br TS51585 [0,2,0,0,0,0|2,0,0]=4 1318 B8R1.1 c1cc(sc1CO)Cl TS40709 [0,2,0,0,0,0|2,0,0]=4 1319 B8R1.1 c1cc(sc1CO)F TS90950 [0,2,0,0,0,0|2,0,0]=4 1320 B8R1.7 B(c1ccsc1)(O)O TS87621 [0,2,0,0,0,0|2,0,0]=4 1321 B8R1.7 CC(=C)c1nccs1 TS05103 [0,2,0,0,0,0|2,0,0]=4 1322 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [0,2,0,0,0,0|2,0,0]=4 1323 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [0,2,0,0,0,0|1,0,0]=3 1324 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [0,2,0,0,0,0|2,0,0]=4 1325 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [0,2,0,0,0,0|1,0,1]=4 1326 B8R1.7 CC(=O)c1ccco1 TS04188 [0,2,0,0,0,0|2,0,0]=4 1327 B8R1.7 CC(=O)c1cccs1 TS08262 [0,2,0,0,0,0|2,0,0]=4 1328 B8R1.7 CC(=O)c1ccsc1 TS65833 [0,2,0,0,0,0|1,0,0]=3 1329 B8R1.7 CC(=O)c1cncs1 TS46736 [0,2,0,0,0,0|2,0,0]=4 1330 B8R1.7 CC(=O)c1nccs1 TS08261 [0,2,0,0,0,0|2,0,0]=4 1331 B8R1.7 CC(=O)n1cccn1 TS04194 [0,2,0,0,0,0|2,0,0]=4 1332 B8R1.7 CC(C)C1=CC=CC1 TS04141 [0,2,0,0,0,0|2,0,0]=4 1333 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [0,2,0,0,0,0|2,0,0]=4 1334 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [0,2,0,0,0,0|2,0,0]=4 1335 B8R1.7 CC(C)n1cccn1 TS04211 [0,2,0,0,0,0|2,0,0]=4 1336 B8R1.7 CC(c1ccco1)N TS04253 [0,2,0,0,0,0|2,0,0]=4 1337 B8R1.7 CC(c1ccco1)O TS31898 [0,2,0,0,0,0|2,0,0]=4 1338 B8R1.7 CC(c1ccoc1)N TS31874 [0,2,0,0,0,0|1,1,0]=4 1339 B8R1.7 CC(c1cscn1)N TS77127 [0,2,0,0,0,0|0,0,0]=2 1340 B8R1.7 CN(C)c1cccs1 TS36249 [0,2,0,0,0,0|2,0,0]=4 1341 B8R1.7 C[C@@H](c1cccs1)O TS05368 [0,2,0,0,0,0|2,0,0]=4 1342 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,2,0,0,0,0|2,0,0]=4 1343 B8R1.7 C[C@H](c1cccs1)O TS08060 [0,2,0,0,0,0|2,0,0]=4 1344 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [0,2,0,0,0,0|1,0,1]=4 1345 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [0,2,0,0,0,0|1,0,1]=4 1346 B8R1.7 c1c(nc[nH]1)C(=S)N TS05269 [0,2,0,0,0,0|1,0,1]=4 1347 B8R1.7 c1c(nc[nH]1)C(=S)S TS40224 [0,2,0,0,0,0|1,0,1]=4 1348 B8R1.7 c1c(nc[nH]1)[N+](=O)[O-] TS60066 [0,2,0,0,0,0|2,0,0]=4 1349 B8R1.7 c1c(nco1)C(=O)O TS00378 [0,2,0,0,0,0|0,1,1]=4 1350 B8R1.7 c1c(nco1)C(=S)N TS05326 [0,2,0,0,0,0|0,1,1]=4 1351 B8R1.7 c1c(ncs1)C(=O)N TS01722 [0,2,0,0,0,0|0,0,1]=3 1352 B8R1.7 c1c(ncs1)C(=S)N TS40225 [0,2,0,0,0,0|0,0,1]=3 1353 B8R1.7 c1c(nns1)C(=O)N TS05450 [0,2,0,0,0,0|1,0,1]=4 1354 B8R1.7 c1c(nns1)C(=O)O TS59879 [0,2,0,0,0,0|1,0,1]=4 1355 B8R1.7 c1coc(n1)C(Cl)Cl TS10106 [0,2,0,0,0,0|2,0,0]=4 1356 B8R1.7 c1cscc1C(=N)N TS11635 [0,2,0,0,0,0|1,0,1]=4 1357 B8R1.7 c1cscc1C(=O)Cl TS22828 [0,2,0,0,0,0|1,0,1]=4 1358 B8R1.7 c1cscc1C(=O)O TS59444 [0,2,0,0,0,0|1,0,1]=4 1359 B8R1.7 c1cscc1C(=S)N TS06880 [0,2,0,0,0,0|1,0,1]=4 1360 B8R1.8 CCCc1[nH]ccn1 TS02464 [0,2,0,0,0,0|2,0,0]=4 1361 B8R1.8 CCCc1ccco1 TS31836 [0,2,0,0,0,0|2,0,0]=4 1362 B8R1.8 CCCc1cccs1 TS36171 [0,2,0,0,0,0|2,0,0]=4 1363 B8R1.8 CCCc1ccsc1 TS36172 [0,2,0,0,0,0|1,0,0]=3 1364 B8R1.8 CCCn1cncn1 TS31877 [0,2,0,0,0,0|2,0,0]=4 1365 B8R1.8 CCNc1cccs1 TS36245 [0,2,0,0,0,0|2,0,0]=4 1366 B8R1.8 CCOc1nccs1 TS05470 [0,2,0,0,0,0|2,0,0]=4 1367 B8R1.8 CNCc1ccco1 TS04251 [0,2,0,0,0,0|2,0,0]=4 1368 B8R1.8 CNCc1ccco1 TS07391 [0,2,0,0,0,0|2,0,0]=4 1369 B8R1.8 CNCc1cccs1 TS01562 [0,2,0,0,0,0|2,0,0]=4 1370 B8R1.8 CNCc1cccs1 TS11775 [0,2,0,0,0,0|2,0,0]=4 1371 B8R1.8 CNCc1ccon1 TS04289 [0,2,0,0,0,0|2,0,0]=4 1372 B8R1.8 CNCc1cscn1 TS36317 [0,2,0,0,0,0|0,0,0]=2 1373 B8R1.8 CNCc1nccs1 TS36316 [0,2,0,0,0,0|2,0,0]=4 1374 B8R1.8 COCc1[nH]ccn1 TS88224 [0,2,0,0,0,0|2,0,0]=4 1375 B8R1.8 COCc1ccco1 TS31900 [0,2,0,0,0,0|2,0,0]=4 1376 B8R1.8 CSCc1ccco1 TS05367 [0,2,0,0,0,0|2,0,0]=4 1377 B8R1.8 c1c(nc[nH]1)CC#N TS31753 [0,2,0,0,0,0|1,0,0]=3 1378 B8R1.8 c1c(nc[nH]1)CCO TS65017 [0,2,0,0,0,0|1,0,0]=3 1379 B8R1.8 c1c(ncs1)CC#N TS05033 [0,2,0,0,0,0|0,0,0]=2 1380 B8R1.8 c1c(ncs1)CCN TS36318 [0,2,0,0,0,0|0,0,0]=2 1381 B8R1.8 c1c[nH]nc1CC#N TS91166 [0,2,0,0,0,0|2,0,0]=4 1382 B8R1.8 c1c[nH]nc1CCN TS31879 [0,2,0,0,0,0|2,0,0]=4 1383 B8R1.8 c1cc(oc1)CCO TS31915 [0,2,0,0,0,0|2,0,0]=4 1384 B8R1.8 c1cc(sc1)CC#N TS65657 [0,2,0,0,0,0|2,0,0]=4 1385 B8R1.8 c1cc(sc1)CCBr TS51245 [0,2,0,0,0,0|2,0,0]=4 1386 B8R1.8 c1cc(sc1)CCN TS46632 [0,2,0,0,0,0|2,0,0]=4 1387 B8R1.8 c1cc(sc1)CCN TS65662 [0,2,0,0,0,0|2,0,0]=4 1388 B8R1.8 c1cc(sc1)CCN TS93665 [0,2,0,0,0,0|2,0,0]=4 1389 B8R1.8 c1cc(sc1)CCO TS65661 [0,2,0,0,0,0|2,0,0]=4 1390 B8R1.8 c1cc(sc1)CNN TS86129 [0,2,0,0,0,0|2,0,0]=4 1391 B8R1.8 c1cnc([nH]1)CCO TS04288 [0,2,0,0,0,0|2,0,0]=4 1392 B8R1.8 c1cnn(c1)CCBr TS01977 [0,2,0,0,0,0|2,0,0]=4 1393 B8R1.8 c1cnn(c1)CCCl TS36568 [0,2,0,0,0,0|2,0,0]=4 1394 B8R1.8 c1cnn(c1)CCO TS04285 [0,2,0,0,0,0|2,0,0]=4 1395 B8R1.8 c1coc(n1)CC#N TS04137 [0,2,0,0,0,0|2,0,0]=4 1396 B8R1.8 c1coc(n1)CCN TS00111 [0,2,0,0,0,0|2,0,0]=4 1397 B8R1.8 c1csc(n1)CC#N TS90333 [0,2,0,0,0,0|2,0,0]=4 1398 B8R1.8 c1csc(n1)CCN TS11967 [0,2,0,0,0,0|2,0,0]=4 1399 B8R1.8 c1csc[n+]1CCO TS20846 [0,2,0,0,0,0|2,0,0]=4 1400 B8R1.8 c1cscc1C=NO TS05262 [0,2,0,0,0,0|1,0,1]=4 1401 B8R1.8 c1cscc1CC#N TS32584 [0,2,0,0,0,0|1,0,0]=3 1402 B8R1.8 c1cscc1CC#N TS83998 [0,2,0,0,0,0|1,0,0]=3 1403 B8R1.8 c1cscc1CCN TS36246 [0,2,0,0,0,0|1,0,0]=3 1404 B8R1.8 c1cscc1CCO TS01729 [0,2,0,0,0,0|1,0,0]=3 1405 B8R1.8 c1cscc1CCO TS37040 [0,2,0,0,0,0|1,0,0]=3 1406 B8R1.8 c1cscc1CNN TS89281 [0,2,0,0,0,0|1,0,0]=3 1407 B8R1.8 c1cscc1N=C=O TS22827 [0,2,0,0,0,0|1,0,1]=4 1408 B8R1.8 c1nc([nH]n1)CCN TS04300 [0,2,0,0,0,0|2,0,0]=4 1409 B8R1.8 c1ncn(n1)CC#N TS31761 [0,2,0,0,0,0|2,0,0]=4 1410 B8R1.8 c1ncn(n1)CCCl TS01978 [0,2,0,0,0,0|2,0,0]=4 1411 B8R1.8 c1ncn(n1)CCN TS15418 [0,2,0,0,0,0|2,0,0]=4 1412 B8R1.8 c1ncn(n1)CCN TS47333 [0,2,0,0,0,0|2,0,0]=4 1413 B8R1.8 c1ncn(n1)CCO TS04381 [0,2,0,0,0,0|2,0,0]=4 1414 B8R1.11 C(c1c(snn1)Cl)Cl TS44961 [0,2,0,0,0,0|1,0,0]=3 1415 B8R1.11 CCn1c(ccn1)N TS86902 [0,2,0,0,0,0|2,0,0]=4 1416 B8R1.11 COc1c(non1)N TS04516 [0,2,0,0,0,0|2,0,0]=4 1417 B8R1.11 Cc1c([nH]cn1)CCl TS12338 [0,2,0,0,0,0|1,0,0]=3 1418 B8R1.11 Cc1c([nH]cn1)CO TS04296 [0,2,0,0,0,0|1,0,0]=3 1419 B8R1.11 Cc1c(c[nH]n1)C=O TS70654 [0,2,0,0,0,0|2,0,0]=4 1420 B8R1.11 Cc1c(c[nH]n1)C=O TS91068 [0,2,0,0,0,0|2,0,0]=4 1421 B8R1.11 Cc1c(cco1)SC TS36315 [0,2,0,0,0,0|1,1,0]=4 1422 B8R1.11 Cc1c(nc[nH]1)C=O TS31818 [0,2,0,0,0,0|1,0,1]=4 1423 B8R1.11 Cc1c(nc[nH]1)CO TS04291 [0,2,0,0,0,0|1,0,0]=3 1424 B8R1.11 Cc1c(ocn1)C#N TS31760 [0,2,0,0,0,0|0,1,0]=3 1425 B8R1.11 Cc1c(ocn1)CO TS03174 [0,2,0,0,0,0|0,1,0]=3 1426 B8R1.11 Cc1c(scn1)C=C TS05104 [0,2,0,0,0,0|0,0,0]=2 1427 B8R1.11 Cc1c(scn1)C=O TS08697 [0,2,0,0,0,0|0,0,0]=2 1428 B8R1.11 Cc1c(snn1)C=O TS02239 [0,2,0,0,0,0|1,0,0]=3 1429 B8R1.11 Cc1c(snn1)CO TS59854 [0,2,0,0,0,0|1,0,0]=3 1430 B8R1.11 Cc1cc[nH]c1C=O TS31796 [0,2,0,0,0,0|2,0,0]=4 1431 B8R1.11 Cc1ccsc1C#N TS70684 [0,2,0,0,0,0|1,0,0]=3 1432 B8R1.11 Cc1ccsc1C=O TS70683 [0,2,0,0,0,0|1,0,0]=3 1433 B8R1.11 Cc1ccsc1[Mg]Br TS19268 [0,2,0,0,0,0|1,0,0]=3 1434 B8R1.11 Cn1c(ccn1)C#N TS89271 [0,2,0,0,0,0|2,0,0]=4 1435 B8R1.11 Cn1c(ccn1)C=O TS16650 [0,2,0,0,0,0|2,0,0]=4 1436 B8R1.11 Cn1c(ccn1)CN TS89183 [0,2,0,0,0,0|2,0,0]=4 1437 B8R1.11 Cn1c(ccn1)CO TS86654 [0,2,0,0,0,0|2,0,0]=4 1438 B8R1.11 Cn1c(ncn1)CCl TS94359 [0,2,0,0,0,0|2,0,0]=4 1439 B8R1.11 Cn1c(ncn1)CN TS04299 [0,2,0,0,0,0|2,0,0]=4 1440 B8R1.11 Cn1c(ncn1)CO TS07996 [0,2,0,0,0,0|2,0,0]=4 1441 B8R1.11 Cn1cccc1CN TS04204 [0,2,0,0,0,0|1,0,1]=4 1442 B8R1.11 Cn1ccnc1CCl TS12339 [0,2,0,0,0,0|2,0,0]=4 1443 B8R1.11 Cn1ccnc1CCl TS36570 [0,2,0,0,0,0|2,0,0]=4 1444 B8R1.11 Cn1ccnc1CN TS32741 [0,2,0,0,0,0|2,0,0]=4 1445 B8R1.11 Cn1ccnc1CO TS00467 [0,2,0,0,0,0|2,0,0]=4 1446 B8R1.11 Cn1cncc1CN TS32742 [0,2,0,0,0,0|1,0,1]=4 1447 B8R1.11 Cn1cncc1CO TS04284 [0,2,0,0,0,0|1,0,1]=4 1448 B8R1.11 c1[nH]c(c(n1)N)C#N TS31762 [0,2,0,0,0,0|2,0,0]=4 1449 B8R1.11 c1[nH]c(c(n1)N)CN TS04304 [0,2,0,0,0,0|1,0,1]=4 1450 B8R1.11 c1c(c(cs1)Br)C#N TS50647 [0,2,0,0,0,0|1,0,1]=4 1451 B8R1.11 c1c(c(cs1)Br)C=O TS09451 [0,2,0,0,0,0|1,0,1]=4 1452 B8R1.11 c1csc(c1Br)C#N TS50648 [0,2,0,0,0,0|2,0,0]=4 1453 B8R1.11 c1csc(c1Br)C=O TS60011 [0,2,0,0,0,0|2,0,0]=4 1454 B8R1.11 c1csc(c1Br)CN TS51400 [0,2,0,0,0,0|2,0,0]=4 1455 B8R1.11 c1csc(c1Br)CO TS51586 [0,2,0,0,0,0|2,0,0]=4 1456 B8R1.11 c1csc(c1C#N)N TS05035 [0,2,0,0,0,0|1,0,1]=4 1457 B8R1.11 c1csc(c1CBr)Br TS86576 [0,2,0,0,0,0|1,0,0]=3 1458 B8R1.11 c1csc(c1CBr)Cl TS21190 [0,2,0,0,0,0|1,0,0]=3 1459 B8R1.11 c1csc(c1CCl)Cl TS08393 [0,2,0,0,0,0|1,0,0]=3 1460 B8R1.11 c1csc(c1CN)Br TS51399 [0,2,0,0,0,0|1,0,0]=3 1461 B8R1.11 c1csc(c1Cl)C#N TS40123 [0,2,0,0,0,0|2,0,0]=4 1462 B8R1.11 c1csc(c1Cl)C=O TS02034 [0,2,0,0,0,0|2,0,0]=4 1463 B8R1.11 c1csc(c1Cl)CN TS85965 [0,2,0,0,0,0|2,0,0]=4 1464 B8R1.11 c1csc(c1Cl)CO TS88849 [0,2,0,0,0,0|2,0,0]=4 1465 B8R1.11 c1nc(c(s1)C=O)Cl TS85466 [0,2,0,0,0,0|1,0,0]=3 1466 B8R1.18 CC1=CC(=O)OC1=O TS22789 [0,2,0,0,0,0|1,1,0]=4 1467 B8R1.18 Cc1[nH]c(c(n1)Br)Br TS26437 [0,2,0,0,0,0|2,0,0]=4 1468 B8R1.18 Cc1[nH]c(c(n1)I)I TS02911 [0,2,0,0,0,0|2,0,0]=4 1469 B8R1.18 Cc1c([nH]c(=O)[nH]1)C TS04294 [0,2,0,0,0,0|1,0,1]=4 1470 B8R1.18 Cc1c([nH]c(n1)Br)Br TS47244 [0,2,0,0,0,0|1,0,0]=3 1471 B8R1.18 Cc1c([nH]c(n1)I)I TS47266 [0,2,0,0,0,0|1,0,0]=3 1472 B8R1.18 Cc1c([se]c(=[Se])[se]1)C TS74827 [0,2,0,0,0,0|1,1,0]=4 1473 B8R1.18 Cc1c(cc(s1)Br)Br TS67792 [0,2,0,0,0,0|2,0,0]=4 1474 B8R1.18 Cc1c(cn(n1)C)Br TS88783 [0,2,0,0,0,0|2,0,0]=4 1475 B8R1.18 Cc1c(cn(n1)C)Cl TS36572 [0,2,0,0,0,0|2,0,0]=4 1476 B8R1.18 Cc1c(cn(n1)C)N TS91570 [0,2,0,0,0,0|2,0,0]=4 1477 B8R1.18 Cc1c(nc([nH]1)S)C TS36322 [0,2,0,0,0,0|1,0,0]=3 1478 B8R1.18 Cc1c(oc(=O)o1)C TS60038 [0,2,0,0,0,0|1,1,0]=4 1479 B8R1.18 Cc1c(oc(n1)C)C TS00589 [0,2,0,0,0,0|0,1,0]=3 1480 B8R1.18 Cc1c(sc(n1)C)Br TS16973 [0,2,0,0,0,0|0,0,0]=2 1481 B8R1.18 Cc1c(sc(n1)C)C TS36251 [0,2,0,0,0,0|0,0,0]=2 1482 B8R1.18 Cc1c(sc(n1)N)Br TS47425 [0,2,0,0,0,0|0,0,0]=2 1483 B8R1.18 Cc1c(sc(n1)N)C TS11966 [0,2,0,0,0,0|0,0,0]=2 1484 B8R1.18 Cc1c(sc(n1)N)N TS71241 [0,2,0,0,0,0|0,0,0]=2 1485 B8R1.18 Cc1c(sc(n1)S)C TS40347 [0,2,0,0,0,0|0,0,0]=2 1486 B8R1.18 Cc1cc(c(o1)C)S TS36314 [0,2,0,0,0,0|2,0,0]=4 1487 B8R1.18 Cc1cc(n(n1)C)Br TS13619 [0,2,0,0,0,0|2,0,0]=4 1488 B8R1.18 Cc1cc(n(n1)C)C TS00358 [0,2,0,0,0,0|2,0,0]=4 1489 B8R1.18 Cc1cc(n(n1)C)Cl TS36569 [0,2,0,0,0,0|2,0,0]=4 1490 B8R1.18 Cc1cc(n(n1)C)N TS07392 [0,2,0,0,0,0|2,0,0]=4 1491 B8R1.18 Cc1cc(n(n1)C)N TS31880 [0,2,0,0,0,0|2,0,0]=4 1492 B8R1.18 Cc1cc(nn1C)Br TS13617 [0,2,0,0,0,0|2,0,0]=4 1493 B8R1.18 Cc1cc(nn1C)N TS31883 [0,2,0,0,0,0|2,0,0]=4 1494 B8R1.18 Cc1cc(sc1Br)Br TS67791 [0,2,0,0,0,0|1,0,0]=3 1495 B8R1.18 Cc1cc(sc1C)C TS36170 [0,2,0,0,0,0|1,0,0]=3 1496 B8R1.18 Cc1cc(sc1Cl)Cl TS12343 [0,2,0,0,0,0|1,0,0]=3 1497 B8R1.18 Cn1c(cc(n1)Cl)N TS90593 [0,2,0,0,0,0|2,0,0]=4 1498 B8R1.18 Cn1cc(c(n1)N)Br TS46036 [0,2,0,0,0,0|2,0,0]=4 1499 B8R1.18 c1(c(nc([nH]1)Br)Br)Br TS00575 [0,2,0,0,0,0|2,0,0]=4 1500 B8R1.18 c1(c(nc([nH]1)Br)Cl)Cl TS21958 [0,2,0,0,0,0|2,0,0]=4 1501 B8R1.18 c1(c(nc([nH]1)I)I)I TS00588 [0,2,0,0,0,0|2,0,0]=4 1502 B8R1.18 c1(c(sc(n1)F)Cl)Cl TS13095 [0,2,0,0,0,0|1,0,0]=3 1503 B8R1.18 c1c(c(sc1Br)Br)Br TS77266 [0,2,0,0,0,0|2,0,0]=4 1504 B8R1.18 c1c(c(sc1Cl)Cl)Br TS25154 [0,2,0,0,0,0|2,0,0]=4 1505 B8R1.18 c1c(c(sc1Cl)Cl)Cl TS50604 [0,2,0,0,0,0|2,0,0]=4 1506 B8R1.50 Cc1c(c([nH]n1)Cl)N TS90141 [0,2,0,0,0,0|2,0,0]=4 1507 B8R1.50 Cc1c(c([nH]n1)N)Cl TS43300 [0,2,0,0,0,0|2,0,0]=4 1508 B8R1.50 Cc1c(c(n[nH]1)C)Br TS09569 [0,2,0,0,0,0|2,0,0]=4 1509 B8R1.50 Cc1c(c(n[nH]1)C)Cl TS36571 [0,2,0,0,0,0|2,0,0]=4 1510 B8R1.50 Cc1c(c(n[nH]1)C)I TS02203 [0,2,0,0,0,0|2,0,0]=4 1511 B8R1.50 Cc1c(c(n[nH]1)C)N TS31882 [0,2,0,0,0,0|2,0,0]=4 1512 B8R1.50 Cc1c(c(on1)C)Br TS39325 [0,2,0,0,0,0|2,0,0]=4 1513 B8R1.50 Cc1c(c(on1)C)I TS65803 [0,2,0,0,0,0|2,0,0]=4 1514 B8R1.50 Cc1c(c(on1)C)N TS04295 [0,2,0,0,0,0|2,0,0]=4 1515 B8R1.50 Cc1c(c(on1)N)Cl TS36730 [0,2,0,0,0,0|2,0,0]=4 1516 B8R1.50 Cc1c(c(sn1)N)Br TS51587 [0,2,0,0,0,0|2,0,0]=4 1517 B8R1.50 Cc1c(n(cn1)C)C TS04206 [0,2,0,0,0,0|1,0,0]=3 1518 B8R1.50 Cc1c(noc1N)C TS04297 [0,2,0,0,0,0|2,0,0]=4 1519 B8R1.50 Cc1ccc(n1C)C TS31807 [0,2,0,0,0,0|1,0,1]=4 1520 B8R1.50 Cc1csc(=S)n1O TS40572 [0,2,0,0,0,0|0,0,1]=3 1521 B8R1.50 Cc1csc([n+]1C)C TS28734 [0,2,0,0,0,0|0,0,1]=3 1522 B8R1.50 Cc1csc(c1Br)Br TS07689 [0,2,0,0,0,0|1,0,0]=3 1523 B8R1.50 Cn1c(c(cn1)Br)N TS08878 [0,2,0,0,0,0|2,0,0]=4 1524 B8R1.50 Cn1cnc(c1Br)Br TS26439 [0,2,0,0,0,0|2,0,0]=4 1525 B8R1.50 Cn1cnc(c1Cl)Cl TS40962 [0,2,0,0,0,0|2,0,0]=4 1526 B8R1.50 Cn1cnc(c1I)I TS63865 [0,2,0,0,0,0|2,0,0]=4 1527 B8R1.50 c1c(c(c(s1)Br)Br)Br TS09094 [0,2,0,0,0,0|2,0,0]=4 1528 B6R1.1 C1CC=CC=C1 TS49690 [0,0,1,1,0,0|2,0,0]=4 1529 B6R1.1 c1ccncc1 TS03813 [0,0,1,1,0,0|1,0,1]=4 1530 B6R1.1 c1ccncc1 TS13697 [0,0,1,1,0,0|1,0,1]=4 1531 B6R1.1 c1ccncc1 TS26725 [0,0,1,1,0,0|1,0,1]=4 1532 B6R1.1 c1ccncc1 TS39930 [0,0,1,1,0,0|1,0,1]=4 1533 B6R1.1 c1ccncc1 TS42102 [0,0,1,1,0,0|1,0,1]=4 1534 B6R1.1 c1ccncc1 TS59378 [0,0,1,1,0,0|1,0,1]=4 1535 B6R1.1 c1ccncc1 TS71658 [0,0,1,1,0,0|1,0,1]=4 1536 B6R1.1 c1ccncc1 TS78229 [0,0,1,1,0,0|1,0,1]=4 1537 B6R1.1 c1ccncc1 TS80042 [0,0,1,1,0,0|1,0,1]=4 1538 B6R1.1 c1ccnnc1 TS00218 [0,0,1,1,0,0|2,0,0]=4 1539 B6R1.1 c1cncnc1 TS71665 [0,0,1,1,0,0|1,0,1]=4 1540 B6R1.1 c1ncncn1 TS03441 [0,0,1,1,0,0|2,0,0]=4 1541 B8R2.25 c1ccc2c(c1)C2 TS71846 [0,0,0,1,0,1|2,0,0]=4 1542 B4R1.1 C1CC=C1 TS65575 [1,0,0,0,1,0|1,0,1]=4 1543 B4R1.2 c1cc1=O TS65568 [0,0,0,0,2,0|1,0,0]=3