0 B5R0.1 C/C(=N/C#N)/N Z2573128414 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C/C=C/C(=O)O Z104476026 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=C(C)CCN Z1203582475 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 CC#CC(=O)N Z1203579284 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(=CCN)C Z1827897919 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 CC(=O)CCO Z906206900 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.1 CC(N)CCO Z385458430 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CCCC(=N)N Z1198394172 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.1 CCCC(=O)N Z33546461 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CCCC(=O)O Z104495380 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 CCCC(C)N Z2417819590 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CCNC(=N)N Z2574931373 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.1 CCOC(=N)N Z1741973543 [0,0,0,0,0,0|0,1,0]=1 13 B5R0.1 CCOC(=O)N Z33546369 [0,0,0,0,0,0|1,1,0]=2 14 B5R0.1 CCSC(=N)N Z1708092306 [0,0,0,0,0,0|0,0,0]=0 15 B5R0.1 CNCC(=O)N Z415678308 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CNCC(=O)O Z104480276 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 CNCC(C)N Z1413780485 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 COCC(=N)N Z1258620054 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 COCC(=O)N Z33546778 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 COCC(=O)O Z104477404 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 COC[C@@H](C)N Z1270482298 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 COC[C@H](C)N Z1270502316 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 CSCC(=N)N Z1459934800 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CSCC(=O)N Z33545668 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 N#CCC(=N)N Z1198223505 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 N#CCC(=O)N Z56896153 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 N#CCC(=S)N Z57046941 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 N#CNC(=N)N Z203045078 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 N=C(N)CCO Z1198394167 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 N=C(N)NC=O Z1203578554 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 NC(=O)CCO Z431951940 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.1 NCC=C(F)F Z4511316967 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.1 NCCC(=O)N Z415728050 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.1 NCCC(=O)O Z57127544 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.1 O=C(O)CCCl Z203045320 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.1 O=C(O)CCS Z104474322 [0,0,0,0,0,0|4,0,0]=4 39 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|0,0,0]=1 45 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|0,1,0]=2 54 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|1,1,0]=3 55 B4R0.1 CSC(=N)N Z1741980405 [1,0,0,0,0,0|0,0,0]=1 56 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|1,0,0]=2 62 B4R0.1 N=C(N)NN Z1259217988 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.2 CC#CCN Z1713595498 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.1 C#CC(=O)OCC Z104478880 [0,1,0,0,0,0|2,1,0]=4 81 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.1 CCCC(N)C#N Z398513448 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 CCCC(N)CN Z425861040 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.1 CCCN(C)N=O Z1198147496 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.1 CCNC(=N)NC Z1357224692 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.1 CCNC(=O)CN Z54747476 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.1 CCNC(=O)CO Z431952024 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.1 CCNC(=S)NN Z56965890 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,0,0,0,0|1,1,0]=3 94 B6R0.1 CCOC(=O)CN Z594038186 [0,1,0,0,0,0|1,1,0]=3 95 B6R0.1 CCOC(=O)CO Z385458066 [0,1,0,0,0,0|2,1,0]=4 96 B6R0.1 CCOC(=O)NN Z104478458 [0,1,0,0,0,0|1,1,0]=3 97 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|1,1,1]=4 98 B6R0.1 CCSC(C)C#N Z45225009 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.1 CNC(=O)CCN Z425449754 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.1 CNC(=O)CCO Z975909370 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.1 CNCC(=O)NC Z57981096 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,1,0,0,0,0|1,0,0]=2 112 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.2 CC(C)NC(=S)N Z56979374 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.2 N=C(N)NC(=N)N Z2574927435 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.3 CCC(C)C(C)N Z335455612 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.3 COC(C)C(=N)N Z1365534351 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.4 C#CCNC(=N)N Z1737940712 [0,1,0,0,0,0|1,0,1]=3 140 B6R0.4 C#CCNC(=O)N Z198194920 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.4 C#CCOC(=O)N Z1203578973 [0,1,0,0,0,0|1,1,1]=4 142 B6R0.4 C#CCSC(=N)N Z2805877169 [0,1,0,0,0,0|0,0,1]=2 143 B6R0.4 C=CCNC(=O)N Z56904662 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 C=CCNC(=S)N Z56911918 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,0,0,0,0|2,1,0]=4 147 B6R0.4 CC(C)SCCN Z2092369402 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.4 CC(N)CCCN Z2230911100 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.4 CCC#CC(=O)O Z1205493735 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.4 CCCCC(=O)N Z104476278 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.4 CCCCC(=O)O Z104473312 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.4 CCCCC(C)N Z3300506318 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.4 CCCNC(=S)N Z56930715 [0,1,0,0,0,0|2,0,0]=3 158 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,0,0,0,0|1,1,0]=3 159 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,0,0,0,0|2,0,0]=3 160 B6R0.4 CCNCC(=O)O Z744593094 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.4 CCOCC(=O)O Z104495232 [0,1,0,0,0,0|2,1,0]=4 162 B6R0.4 CCOCC(C)N Z839575202 [0,1,0,0,0,0|1,1,1]=4 163 B6R0.4 CCSCC(C)N Z1203641186 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.4 CSCCC(=O)O Z54719251 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.4 N#CCCC(=N)N Z3771050569 [0,1,0,0,0,0|1,0,1]=3 173 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.4 N#CCNC(=O)N Z600498544 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.4 N=C(N)NCCN Z2235813444 [0,1,0,0,0,0|1,0,0]=2 176 B6R0.4 N=C(N)NCCO Z911465228 [0,1,0,0,0,0|1,0,0]=2 177 B6R0.4 N=C(N)SCCO Z57111959 [0,1,0,0,0,0|0,0,0]=1 178 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,0,0,0,0|1,1,0]=3 181 B6R0.4 NCCCC(=O)N Z398513418 [0,1,0,0,0,0|2,0,0]=3 182 B6R0.4 NCCCC(=O)O Z104475620 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,0,0,0,0|2,0,0]=3 184 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,0,0,0,0|1,1,0]=3 185 B6R0.4 NCCSC(F)F Z2681247712 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.4 O=C(O)CCCS Z147642510 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.5 CCCC(C)(C)N Z1262250787 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,1,0,0,0,0|2,1,0]=4 189 B6R1.2 CC1=NCCN1 Z204020260 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.2 CC1=NCCS1 Z104480256 [0,0,0,1,0,0|1,0,0]=2 191 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,1,0,0|1,0,0]=2 193 B6R1.2 NC1=CC=NS1 Z2568737642 [0,0,0,1,0,0|2,0,1]=4 194 B6R1.2 NC1=CN=NS1 Z1116303505 [0,0,0,1,0,0|3,0,0]=4 195 B6R1.2 NC1=CNC=N1 Z3241270014 [0,0,0,1,0,0|2,0,1]=4 196 B6R1.2 NC1=CNN=N1 Z1964347651 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.2 NC1=CSN=N1 Z1868316819 [0,0,0,1,0,0|3,0,0]=4 198 B6R1.2 NC1=NC=CN1 Z1262237195 [0,0,0,1,0,0|1,0,2]=4 199 B6R1.2 NC1=NC=CO1 Z939904646 [0,0,0,1,0,0|0,1,2]=4 200 B6R1.2 NC1=NC=CS1 Z104472798 [0,0,0,1,0,0|0,0,2]=3 201 B6R1.2 NC1=NC=NS1 Z1827897976 [0,0,0,1,0,0|1,0,1]=3 202 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,1,0,0|0,1,0]=2 203 B6R1.2 NC1=NN=CN1 Z56866006 [0,0,0,1,0,0|2,0,1]=4 204 B6R1.2 NC1=NN=CO1 Z277559304 [0,0,0,1,0,0|1,1,1]=4 205 B6R1.2 NC1=NN=CS1 Z56899142 [0,0,0,1,0,0|1,0,1]=3 206 B6R1.2 NC1=NN=NN1 Z1250100717 [0,0,0,1,0,0|3,0,0]=4 207 B6R1.2 NC1=NN=NS1 Z57087680 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.2 NC1=NNC=C1 Z240126818 [0,0,0,1,0,0|2,0,1]=4 209 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,1,0,0|2,0,0]=3 210 B6R1.2 NC1=NON=C1 Z1203638167 [0,0,0,1,0,0|3,0,0]=4 211 B6R1.2 NC1=NSN=C1 Z2065788230 [0,0,0,1,0,0|3,0,0]=4 212 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|3,0,0]=4 214 B6R1.2 O=C1NC=CS1 Z445210514 [0,0,0,1,0,0|1,0,2]=4 215 B6R1.2 O=C1NCCN1 Z104494954 [0,0,0,1,0,0|2,0,0]=3 216 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,1,0,0|1,1,0]=3 217 B6R1.2 O=C1NCCS1 Z55928860 [0,0,0,1,0,0|1,0,0]=2 218 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,1,0,0|2,1,0]=4 219 B6R1.2 OC1=NN=CS1 Z1238571564 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.2 SC1=NCCN1 Z104497392 [0,0,0,1,0,0|2,0,0]=3 221 B6R1.2 SC1=NN=CS1 Z104503476 [0,0,0,1,0,0|2,0,1]=4 222 B6R1.5 CC1CC(C1)N Z1357823942 [0,0,0,1,0,0|2,0,1]=4 223 B6R1.5 CC1CC(N1)C Z2143576622 [0,0,0,1,0,0|2,0,1]=4 224 B6R1.10 CC1(CCC1)N Z1741969618 [0,0,0,1,0,0|2,0,1]=4 225 B6R1.11 CC(N)C1CC1 Z89283349 [0,0,0,1,0,0|2,0,1]=4 226 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,0,1,0,0|1,0,0]=2 227 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|2,0,0]=4 228 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|2,0,0]=4 229 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|1,0,1]=4 230 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,1]=4 232 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,0,1]=4 233 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,0]=3 234 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|2,0,0]=4 235 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|2,0,0]=4 236 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|0,1,1]=4 237 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.3 C/N=C(\N)/NC Z1089996530 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.3 C/N=C(\N)/SC Z107728770 [1,1,0,0,0,0|0,0,0]=2 240 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|0,0,0]=2 242 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.3 CCC(N)C#N Z445129502 [1,1,0,0,0,0|0,0,2]=4 248 B5R0.3 CCC(N)CN Z1263714131 [1,1,0,0,0,0|0,0,2]=4 249 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 252 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,1,0,0,0,0|0,0,2]=4 253 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.3 CNC(=N)NN Z2301534051 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.3 CNC(=O)CCl Z56891219 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.3 CNC(=O)CN Z57981102 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|2,0,0]=4 259 B5R0.3 CNC(=O)CS Z1203730878 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|1,1,0]=4 261 B5R0.3 CSC(C)CN Z844632970 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.3 N=C(CN)NO Z223781376 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.3 N=C(NN)NN Z90663781 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.3 NCC(=O)CN Z1198147360 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.4 CCC(C)(C)N Z104480062 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.4 CCS(=O)(=O)N Z54886646 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.5 CC(=N)N(C)C Z1428159819 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|0,0,0]=2 271 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|2,0,0]=4 273 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|1,0,0]=3 274 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.5 CC(N)C(C)N Z2335631664 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|0,0,0]=2 279 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.5 CN(C)C(=N)N Z1839480548 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.5 CN(C)C(=S)N Z56347524 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|2,0,0]=4 284 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|2,0,0]=4 286 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.2 C/C=C/OCC Z281777810 [1,1,0,0,0,0|1,1,0]=4 289 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.2 C=CCNCC Z2044769224 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.2 CCC#CCN Z4935566672 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|2,0,0]=4 293 B5R0.2 CCCCCN Z104472246 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.2 CCOCCN Z271005962 [1,1,0,0,0,0|0,1,1]=4 295 B5R0.2 CCSCCN Z3061111063 [1,1,0,0,0,0|0,0,1]=3 296 B5R0.2 NC/C=C/CN Z2235386837 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.2 NCCCCF Z2177031126 [1,1,0,0,0,0|1,0,1]=4 298 B5R0.2 NCCCCN Z104472592 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,2,0,0,0,0|1,1,0]=4 303 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.3 CCCNC(=S)NN Z56985754 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.3 CCNCC(=O)NC Z55849445 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.3 CCSCC(C)NC Z1238713281 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.3 CNC(=N)CCOC Z2739543518 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.3 CNC(=O)CCCN Z451350656 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.3 CNC(=O)NCCO Z177090556 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.3 CNC(=O)OCCO Z1198150357 [0,2,0,0,0,0|1,1,0]=4 318 B7R0.3 CNCCC(=O)NC Z852427258 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.3 NCCCC(=O)NO Z3488307998 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.5 CCOC(=N)C(C)C Z1623864182 [0,2,0,0,0,0|1,1,0]=4 323 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,2,0,0,0,0|1,1,0]=4 324 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,2,0,0,0,0|0,1,0]=3 325 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,2,0,0,0,0|0,0,0]=2 326 B7R0.7 CCNC(=O)CCN Z1449756826 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.7 CCNC(=O)CNC Z594038090 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.7 CCOC(=N)CSC Z4498865780 [0,2,0,0,0,0|1,1,0]=4 329 B7R0.7 CCOC(=O)CNC Z1262237263 [0,2,0,0,0,0|1,1,0]=4 330 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.10 CNC(=N)C(C)OC Z2759956061 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [0,2,0,0,0,0|0,0,0]=2 339 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,2,0,0,0,0|1,0,0]=3 341 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.9 N=C(N)CC(F)(F)F Z1272672457 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,2,0,0,0,0|1,0,0]=3 349 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.15 CCN(CC)C(=N)C Z56757228 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.15 CCN(CC)C(=S)N Z55928942 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,2,0,0,0,0|2,0,0]=4 354 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,2,0,0,0,0|2,0,0]=4 355 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,2,0,0,0,0|1,1,0]=4 356 B7R0.4 CCCCCC(=N)N Z3490473907 [0,2,0,0,0,0|1,0,0]=3 357 B7R0.4 CCCCNC(=S)N Z56930717 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.4 CCCCOC(=O)N Z104476286 [0,2,0,0,0,0|1,1,0]=4 359 B7R0.4 CCCNCC(=O)N Z2211231296 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.4 CCCSCC(=O)C Z447929234 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.4 CCCSCC(=O)O Z228425458 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.4 CCNCCC(=O)N Z2681234913 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.4 CCSCCC(=O)O Z197206046 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.4 COCCCC(=N)N Z1267882086 [0,2,0,0,0,0|1,0,0]=3 365 B7R0.4 COCCNC(=O)N Z56904572 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.4 COCOCC(=N)N Z1723549321 [0,2,0,0,0,0|0,1,0]=3 367 B7R0.4 NC(=O)COCCO Z1198148880 [0,2,0,0,0,0|1,1,0]=4 368 B7R0.4 NC(=O)NCCCO Z198194722 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.4 NCCCCC(=O)N Z1639630947 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.4 NCCCOC(=O)N Z3337481796 [0,2,0,0,0,0|1,1,0]=4 371 B7R0.4 NCCOCC(=O)N Z1428158847 [0,2,0,0,0,0|1,1,0]=4 372 B7R0.4 NCCSCC(=O)O Z1381287295 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,2,0,0,0,0|0,1,0]=3 377 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|2,0,0]=4 378 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,2,0,0,0,0|2,0,0]=4 381 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,2,0,0,0,0|0,0,1]=3 383 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|1,0,1]=4 384 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|2,0,0]=4 385 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|1,0,1]=4 386 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|1,0,1]=4 387 B5R1.1 C1=NN=CS1 Z1198156558 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.1 CNC1=NC=CS1 Z336483296 [0,1,0,1,0,0|0,0,2]=4 389 B7R1.1 CNC1=NCCN1 Z3072981652 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.1 CNC1=NCCS1 Z744843656 [0,1,0,1,0,0|0,0,0]=2 391 B7R1.1 CNC1=NN=CS1 Z1082870996 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.1 CSC1=NCCN1 Z56790627 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.1 NCC1=NC=CS1 Z1198107502 [0,1,0,1,0,0|0,0,2]=4 395 B7R1.1 NCC1=NCCN1 Z2714784585 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.1 NCC1=NN=CS1 Z2738360224 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.1 NCC1CCCS1 Z1201677924 [0,1,0,1,0,0|1,0,1]=4 399 B7R1.2 CC1=CC(=NO1)N Z104503828 [0,1,0,1,0,0|1,0,1]=4 400 B7R1.2 CC1=CC(=NS1)N Z1198165856 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.2 CC1=CN=C(O1)N Z994267654 [0,1,0,1,0,0|0,1,1]=4 402 B7R1.2 CC1=CN=C(S1)N Z104500072 [0,1,0,1,0,0|0,0,1]=3 403 B7R1.2 CC1=CNC(=N1)N Z2515238565 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.2 CC1=CSC(=N1)N Z48847548 [0,1,0,1,0,0|0,0,1]=3 405 B7R1.2 CC1=CSC(=N1)S Z203045926 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.2 CC1=NC(=NO1)N Z1147462977 [0,1,0,1,0,0|0,1,1]=4 408 B7R1.2 CC1=NC(=NS1)N Z1198313987 [0,1,0,1,0,0|0,0,1]=3 409 B7R1.2 CC1=NC=C(S1)N Z951517342 [0,1,0,1,0,0|0,0,1]=3 410 B7R1.2 CC1=NN=C(N1)N Z951367902 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.2 CC1=NN=C(O1)N Z56957510 [0,1,0,1,0,0|0,1,1]=4 412 B7R1.2 CC1=NN=C(S1)Br Z431956576 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.2 CC1=NN=C(S1)N Z56900928 [0,1,0,1,0,0|0,0,1]=3 414 B7R1.2 CC1=NN=C(S1)O Z1238571569 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.2 CC1=NN=C(S1)S Z104485716 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.2 CC1=NNC(=C1)N Z55423088 [0,1,0,1,0,0|1,0,1]=4 417 B7R1.2 CC1=NOC(=C1)N Z118429566 [0,1,0,1,0,0|1,0,1]=4 418 B7R1.2 CC1=NOC(=N1)N Z339356524 [0,1,0,1,0,0|0,1,1]=4 419 B7R1.2 CC1=NSC(=C1)N Z204042038 [0,1,0,1,0,0|1,0,1]=4 420 B7R1.2 CC1=NSC(=N1)Cl Z368555490 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.2 CC1=NSC(=N1)N Z431702718 [0,1,0,1,0,0|0,0,1]=3 422 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.2 CC1CC(CS1)N Z1203639702 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,1,0,0|0,1,0]=3 428 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|1,1,0]=4 432 B7R1.2 CN1C=C(C=N1)N Z1741968059 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.2 CN1C=C(N=N1)N Z2177030666 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.2 CN1C=NC(=C1)N Z2472857442 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.2 CN1C=NC(=N1)N Z57466217 [0,1,0,1,0,0|1,0,1]=4 436 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.2 CN1N=NC(=N1)N Z1198158669 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.2 NC1=CSC(=N1)N Z190661742 [0,1,0,1,0,0|0,0,2]=4 440 B7R1.2 NC1=CSC(=N1)O Z1033300716 [0,1,0,1,0,0|1,0,1]=4 441 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,1,0,1,0,0|0,0,1]=3 442 B7R1.2 NC1=NC(=S)SS1 Z56761438 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.2 NC1=NC=C(S1)Br Z57032577 [0,1,0,1,0,0|0,0,2]=4 444 B7R1.2 NC1=NC=C(S1)F Z1198184822 [0,1,0,1,0,0|0,0,2]=4 445 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,1,0,1,0,0|1,0,1]=4 446 B7R1.2 NC1=NN=C(S1)Br Z362772468 [0,1,0,1,0,0|1,0,1]=4 447 B7R1.2 NC1=NN=C(S1)N Z56900782 [0,1,0,1,0,0|1,0,1]=4 448 B7R1.2 NC1=NN=C(S1)O Z1824511386 [0,1,0,1,0,0|1,0,1]=4 449 B7R1.2 NC1=NN=C(S1)S Z57032546 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.2 NC1=NSC(=N1)N Z56755595 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,1,0,1,0,0|1,0,1]=4 454 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,1,0,1,0,0|1,0,1]=4 455 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.3 CC1CNCCS1 Z334686272 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.3 CC1CSCCN1 Z334686282 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.3 FC1=CCCNC1 Z1570657372 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.3 NC1=NCCCC1 Z1723418848 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.3 NC1=NCCCN1 Z1259041088 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.3 NC1=NCCCS1 Z2211231389 [0,1,0,1,0,0|0,0,0]=2 462 B7R1.3 NC1CCCSC1 Z1029463244 [0,1,0,1,0,0|1,0,1]=4 463 B7R1.3 O=C1CCCCN1 Z168817684 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.3 O=C1CCCCS1 Z1726147018 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.3 O=C1CCCNN1 Z1416174508 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.3 O=C1CCCSC1 Z979714552 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.3 O=C1CSCCN1 Z337709368 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.3 O=C1NCCCN1 Z1203730774 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.3 O=C1NCCCO1 Z1198312172 [0,1,0,1,0,0|1,1,0]=4 472 B7R1.3 O=C1NCNCN1 Z1255437058 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.3 O=C1NNCCO1 Z2732442016 [0,1,0,1,0,0|1,1,0]=4 474 B7R1.3 S=C1NCNCN1 Z56756573 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.4 CC1SCCC1N Z2408712737 [0,1,0,1,0,0|1,0,1]=4 477 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,1,0,0|2,0,0]=4 478 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,1,0,0|2,0,0]=4 479 B7R1.4 CN1CCSC1=N Z3242405392 [0,1,0,1,0,0|0,0,0]=2 480 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,1,0]=4 481 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|1,1,0]=4 483 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.22 CNC(=N)C1CC1 Z2120060845 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.22 N/C(=N\O)/C1CC1 Z335452744 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.22 N=C(NN)C1CC1 Z951367962 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.22 NNC(=O)C1CC1 Z56891400 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.14 CC1(CCSC1)N Z4990294346 [0,1,0,1,0,0|1,0,1]=4