0 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,0|3,1,0]=4 1 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,0|3,1,0]=4 2 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,0|2,1,0]=3 3 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,0,0|3,1,0]=4 4 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,0|0,1,0]=1 8 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,0,0|1,1,1]=3 12 B6R0.2 CC(C)NC(=S)N Z56979374 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,0|2,1,1]=4 14 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,0|3,1,0]=4 17 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,0|2,1,0]=3 18 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.2 N=C(N)NC(=N)N Z2574927435 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,0|2,1,0]=3 23 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,0|2,1,0]=3 24 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,0,0|1,1,0]=2 25 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,0|3,1,0]=4 28 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|2,1,0]=4 29 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,1,1]=4 31 B5R0.1 CC(=CCN)C Z1827897919 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|1,1,1]=4 33 B5R0.1 CC(C)NC=O Z1201617634 [1,0,0,0,0,0|1,1,1]=4 34 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,1,1]=4 36 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|1,1,1]=4 39 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,1,0]=4 41 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,1,0]=4 43 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,1,0]=4 46 B5R0.1 N#CCC(=S)N Z57046941 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 N#CNC(=N)N Z203045078 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 N=C(N)NC=O Z1203578554 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,1,0,0,0,0|0,1,1]=3 54 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,0,0,0,0|1,1,0]=3 55 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,1,0,0,0,0|1,1,1]=4 56 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,0,0,0,0|1,1,1]=4 57 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|2,1,0]=4 60 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,0,0,0,0|1,1,1]=4 61 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|2,1,0]=4 64 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,0|0,1,0]=2 66 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,1,0,0,0,0|0,1,0]=2 69 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,0,0,0,0|0,1,0]=2 70 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.9 CS(=O)(=O)CC(=S)N Z803153250 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|2,1,0]=4 74 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|2,1,0]=4 75 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|2,1,0]=4 76 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,0|2,1,0]=4 78 B7R1.2 CC1=CC(=NN1)C Z50145988 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.2 CC1=CC(=NO1)N Z104503828 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 CC1=CC(=NS1)N Z1198165856 [0,0,0,1,0,0|2,1,0]=4 81 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,1,0,0|1,1,1]=4 82 B7R1.2 CC1=CN=C(N1)O Z2630875693 [0,0,0,1,0,0|1,1,1]=4 83 B7R1.2 CC1=CN=C(O1)N Z994267654 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 CC1=CN=C(S1)N Z104500072 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 CC1=CNC(=N1)C Z217301646 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 CC1=CNC(=N1)N Z2515238565 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.2 CC1=CNC(=N1)S Z1198163268 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.2 CC1=CSC(=N1)N Z48847548 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 CC1=NC(=NO1)N Z1147462977 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.2 CC1=NC(=NS1)N Z1198313987 [0,0,0,1,0,0|1,1,1]=4 92 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,1,0,0|1,1,1]=4 93 B7R1.2 CC1=NC=C(S1)N Z951517342 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.2 CC1=NN=C(N1)N Z951367902 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.2 CC1=NN=C(O1)N Z56957510 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.2 CC1=NN=C(S1)N Z56900928 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.2 CC1=NNC(=C1)N Z55423088 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 CC1=NNC(=N1)C Z57161895 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.2 CC1=NNC(=N1)S Z55982146 [0,0,0,1,0,0|1,0,2]=4 100 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|2,1,0]=4 101 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,1,0,0|2,1,0]=4 102 B7R1.2 CC1=NOC(=C1)N Z118429566 [0,0,0,1,0,0|2,1,0]=4 103 B7R1.2 CC1=NOC(=N1)N Z339356524 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.2 CC1=NSC(=C1)N Z204042038 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.2 CC1=NSC(=N1)N Z431702718 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,0|1,1,1]=4 110 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,0,0,1,0,0|0,0,2]=3 115 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.2 NC1=NN=C(N1)O Z1869802420 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,1,0,0|1,1,1]=4 118 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,0,0,1,0,0|2,1,0]=4 119 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,1,0,0|1,1,0]=3 120 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,1,0,0|2,1,0]=4 121 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,0|0,1,0]=2 122 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,0,0,1,0,0|0,0,0]=1 123 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,0|1,1,0]=3 124 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,0,0,1,0,0|1,0,1]=3 125 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.2 O=C1N=C(NN1)S Z1723849188 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [0,0,0,1,0,0|1,1,0]=3 128 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,0,1,0,0|1,1,1]=4 130 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,0,0,1,0,0|1,0,1]=3 131 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,1,0|3,0,0]=4 132 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,0,0,0,1,0|3,0,0]=4 133 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,1,0|1,1,0]=3 134 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,1,0|1,0,1]=3 135 B5R0.5 CC(C)C(=N)N Z381357616 [0,0,0,0,1,0|2,0,1]=4 136 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,1,0|1,1,1]=4 137 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,1,0|1,1,1]=4 138 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,1,0|1,1,1]=4 139 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,1,0|2,0,1]=4 140 B5R0.5 CC(O)C(=N)N Z2216711526 [0,0,0,0,1,0|1,0,2]=4 141 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,1,0|0,1,2]=4 142 B5R0.5 CN(C)C(=N)N Z1839480548 [0,0,0,0,1,0|3,0,0]=4 143 B5R0.5 CN(C)C(=S)N Z56347524 [0,0,0,0,1,0|2,0,0]=3 144 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,1,0|2,0,1]=4 145 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,1,0|1,1,1]=4 146 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,1,0|2,0,1]=4 147 B5R0.5 NC(=S)C(=S)N Z56347000 [0,0,0,0,1,0|1,1,0]=3 148 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,1,0|2,1,0]=4 149 B7R0.6 CC(=NNC(=S)N)C Z57128338 [0,0,0,0,0,1|1,0,0]=2 150 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,1|2,1,0]=4 151 B7R0.6 CC(=O)NCB(O)O Z1198183387 [0,0,0,0,0,1|2,1,0]=4 152 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,1|1,1,0]=3 153 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,1|1,1,1]=4 154 B7R0.6 CC(=O)NNC(=N)S Z89271887 [0,0,0,0,0,1|0,0,2]=3 155 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,0,1|1,0,0]=2 156 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,0,1|1,1,1]=4 157 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,0,1|1,1,1]=4 158 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,0,0,0,0,1|3,0,0]=4 159 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,1|2,0,0]=3 160 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,1|3,0,0]=4 161 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [0,0,0,0,0,1|2,1,0]=4 162 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,1|1,1,0]=3 163 B7R0.6 NC(=S)NNC(=S)N Z56853893 [0,0,0,0,0,1|1,1,0]=3 164 B4R0.1 C=CC(=C)C Z104474660 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|0,1,0]=3 167 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|0,0,1]=3 168 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|0,0,0]=2 169 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|0,1,0]=3 170 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|1,0,1]=4 171 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|0,1,1]=4 172 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|0,0,1]=3 173 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|0,0,1]=3 175 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|0,1,0]=3 176 B4R0.1 COC(=N)N Z1741976783 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|1,1,0]=4 178 B4R0.1 CSC(=N)N Z1741980405 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 N=C(N)NN Z1259217988 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|0,1,1]=4 181 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|1,0,1]=4 182 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,1]=4 183 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.1 CCNC(=N)NC Z1357224692 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|0,1,1]=4 186 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.1 CCNC(=S)NN Z56965890 [1,1,0,0,0,0|0,0,1]=3 188 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.1 CONC(=O)CCl Z234816732 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.3 CCN(C)C(=N)N Z1718490393 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.3 CN(N=O)C(=O)N Z104475776 [1,1,0,0,0,0|1,1,0]=4 192 B6R0.4 C#CCNC(=O)C Z220957448 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|0,1,1]=4 196 B6R0.4 C=CCNC(=S)N Z56911918 [1,1,0,0,0,0|0,0,1]=3 197 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.4 CCCNC(=S)N Z56930715 [1,1,0,0,0,0|0,0,1]=3 201 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|0,1,1]=4 202 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.4 N=C(N)NCCN Z2235813444 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.4 N=C(N)NCCO Z911465228 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|0,1,1]=4 206 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|0,1,1]=4 207 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,1,0,0,1,0|1,0,1]=4 208 B8R0.9 C=C(C)CNC(=S)NN Z56887614 [0,1,0,0,0,1|1,0,0]=3 209 B8R0.9 CC(=O)NNC(=O)CCl Z56347435 [0,1,0,0,0,1|1,1,0]=4 210 B8R0.9 CCC(=O)NC=C(Cl)Cl Z57906704 [0,1,0,0,0,1|2,0,0]=4 211 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,1|1,1,0]=4 212 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,1,0,0,0,1|0,1,0]=3 213 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,0,0,0,1|1,1,0]=4 214 B8R0.9 CNC(=S)NNC(=O)C Z32335546 [0,1,0,0,0,1|0,0,0]=2 215 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,0,0,0,1|1,1,0]=4 216 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,1|1,1,0]=4 217 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,1|1,1,0]=4 218 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,1|1,1,0]=4 219 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,1|1,1,0]=4 220 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,1|1,1,0]=4 221 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,1,0,0,0,1|1,1,0]=4 222 B8R0.23 CN(CC(=O)O)C(=N)N Z1203577925 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,1,0,0,0,1|1,1,0]=4 224 B8R0.5 CCOC(=O)CC(=S)N Z94602417 [0,2,0,0,0,0|1,0,0]=3 225 B8R0.5 COCC(C)NC(=S)N Z56904617 [0,2,0,0,0,0|0,0,2]=4 226 B8R0.5 NC(=O)NC(=O)CCCl Z196931012 [0,2,0,0,0,0|0,1,0]=3 227 B8R0.19 C=CC(=O)NC(=O)NC Z235362893 [0,2,0,0,0,0|0,1,1]=4 228 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,2,0,0,0,0|0,1,0]=3 229 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,2,0,0,0,0|1,1,0]=4 230 B8R0.19 COC(=O)NC(=O)CI Z1250132865 [0,2,0,0,0,0|1,1,0]=4 231 B8R0.24 CC(C)(C)NC(=S)NN Z56948425 [0,2,0,0,0,0|1,0,1]=4 232 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,1,0,0|2,0,0]=4 233 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,1,0,0|1,0,1]=4 234 B6R1.2 CC1=CNC=C1 Z1203730789 [1,0,0,1,0,0|2,0,0]=4 235 B6R1.2 CC1=NC=CN1 Z104494990 [1,0,0,1,0,0|2,0,0]=4 236 B6R1.2 CC1=NNC=C1 Z450469310 [1,0,0,1,0,0|2,0,0]=4 237 B6R1.2 CC1=NNC=N1 Z939944658 [1,0,0,1,0,0|1,0,1]=4 238 B6R1.2 NC1=NC=CN1 Z1262237195 [1,0,0,1,0,0|1,0,1]=4 239 B6R1.2 NC1=NN=CN1 Z56866006 [1,0,0,1,0,0|2,0,0]=4 240 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,1,0,0|2,0,0]=4 241 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,1]=4 242 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,1]=4 243 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,1,0,0|0,1,1]=4 245 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|0,1,1]=4 247 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,1,0,1|2,0,0]=4 248 B8R1.3 NC1=NNC(=O)C=C1 Z1723418911 [0,0,0,1,0,1|1,0,1]=4 249 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,0,0,1,0,1|1,0,1]=4 250 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,0,1|1,1,0]=4 251 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,0,0,1,0,1|0,1,0]=3 252 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,0,0,1,0,1|1,0,1]=4 253 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,1,0,1|1,1,0]=4 254 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,1,0,1,0,0|1,1,0]=4 255 B8R1.1 CNC1=NC(=O)CS1 Z1203731442 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.1 CSC1=NC(=O)CN1 Z2602503120 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.1 CSC1=NN=C(N1)N Z18356875 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.1 NC1=NN=C(N1)CO Z600620424 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.1 NCC1=CSC(=O)N1 Z1434233458 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.4 NC1=CN=CC(=O)N1 Z2756879989 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.4 NC1=NC=CC(=O)N1 Z801295650 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.4 NC1=NC=NC(=O)N1 Z1962222528 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.4 O=C1C=CNC(=O)N1 Z56889474 [0,1,0,1,0,0|0,1,1]=4 267 B8R1.4 O=C1C=NNC(=O)N1 Z276509088 [0,1,0,1,0,0|0,1,1]=4 268 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,1,0,0|1,1,0]=4 269 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,1,0,0|0,1,0]=3 270 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,1,0,0|1,1,0]=4 272 B8R1.4 O=C1NCNC(=O)N1 Z147642476 [0,1,0,1,0,0|0,1,0]=3 273 B8R1.18 CC1=C(NC(=N1)N)C Z2418413556 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [0,1,0,1,0,0|1,1,0]=4 275 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,1,0,1,0,0|1,1,0]=4 276 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,1,0,0|1,1,0]=4 277 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,1,0,0|0,1,0]=3 278 B8R1.18 CC1SC(=NC1=O)N Z57104427 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,1,0,0|0,1,0]=3 281 B8R1.18 CN1N=C(SC1=O)N Z1203580580 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.18 CN1NC(=N)CC1=O Z1197987885 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,1,0,1,0,0|0,1,0]=3 284 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,1,0,1,0,0|0,1,0]=3 285 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.40 NNC(=S)NC1CC1 Z56886442 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.50 CC1=NC=C(N1C)N Z2310678658 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.50 CC1=NN=C(N1C)N Z1688198430 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,1,0,1,0,0|1,1,0]=4 291 B8R1.50 CN1C(=N)NCC1=O Z2526439738 [0,1,0,1,0,0|1,0,0]=3 292 B8R1.50 CN1C(=O)CN=C1S Z3219957196 [0,1,0,1,0,0|0,0,2]=4 293 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,1,0,1,0,0|0,1,0]=3 294 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|1,1,0]=4 295 B8R1.50 CN1C(=O)NN=C1N Z1203584694 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.50 CN1C(=O)NNC1=O Z1117899218 [0,1,0,1,0,0|1,1,0]=4 297 B8R1.50 NN1C(=O)CSC1=S Z56926530 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,1,0,1,0,0|1,1,0]=4 299 B8R0.28 CC(=CCNC(=N)N)C Z2687203850 [0,0,0,0,0,2|2,0,0]=4 300 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,2|1,1,0]=4 301 B8R0.28 CC(C)CCNC(=S)N Z56930716 [0,0,0,0,0,2|1,0,1]=4 302 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,0,0,0,0,2|2,0,0]=4 303 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [0,0,0,0,0,2|1,1,0]=4 304 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,0,0,0,2|1,1,0]=4 305 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,0,0,0,2|1,1,0]=4 306 B3R0.2 CC(=O)N Z33546370 [3,0,0,0,0,0|0,0,0]=3 307 B3R0.2 CC(=O)O Z1954803614 [3,0,0,0,0,0|0,1,0]=4 308 B3R0.2 CC(=O)[S-] Z1142554016 [3,0,0,0,0,0|0,0,1]=4 309 B3R0.2 NC(=O)N Z104473900 [3,0,0,0,0,0|0,1,0]=4 310 B5R0.3 C/N=C(\N)/NC Z1089996530 [2,1,0,0,0,0|1,0,0]=4 311 B5R0.3 CCC(=O)CN Z1203579016 [2,1,0,0,0,0|0,0,1]=4 312 B5R0.3 CCC(=O)NN Z56886418 [2,1,0,0,0,0|0,0,0]=3 313 B5R0.3 CNC(=N)NN Z2301534051 [2,1,0,0,0,0|1,0,0]=4 314 B5R0.3 CNC(=O)CCl Z56891219 [2,1,0,0,0,0|0,0,1]=4 315 B5R0.3 CNC(=O)CN Z57981102 [2,1,0,0,0,0|0,0,1]=4 316 B5R0.3 CNC(=O)CO Z431952700 [2,1,0,0,0,0|0,0,1]=4 317 B5R0.3 CNC(=O)CS Z1203730878 [2,1,0,0,0,0|0,0,1]=4 318 B5R0.3 COC(=O)CN Z57042020 [2,1,0,0,0,0|0,0,1]=4 319 B5R0.3 NCC(=O)CN Z1198147360 [2,1,0,0,0,0|0,0,1]=4 320 B5R0.3 NNC(=S)NN Z56823019 [2,1,0,0,0,0|1,0,0]=4 321 B5R0.4 CS(=O)(=O)NN Z283687760 [2,1,0,0,0,0|1,0,0]=4 322 B7R0.3 C=CCNC(=O)CCl Z56899047 [1,2,0,0,0,0|1,0,0]=4 323 B7R0.3 C=CCNC(=S)NN Z56858230 [1,2,0,0,0,0|0,0,1]=4 324 B7R0.3 CCC(=O)NCCN Z1455674775 [1,2,0,0,0,0|0,0,1]=4 325 B7R0.3 CCCNC(=S)NN Z56985754 [1,2,0,0,0,0|0,0,1]=4 326 B7R0.3 COC(=O)NCCN Z2237317343 [1,2,0,0,0,0|0,0,1]=4 327 B7R0.15 CCN(CC)C(=S)N Z55928942 [1,2,0,0,0,0|0,0,1]=4 328 B7R0.4 CC(=O)NCCCN Z295405102 [1,2,0,0,0,0|0,0,1]=4 329 B7R0.4 CCCCNC(=S)N Z56930717 [1,2,0,0,0,0|0,0,1]=4 330 B7R0.4 CNCCNC(=O)C Z1456777974 [1,2,0,0,0,0|0,0,1]=4 331 B9R0.1 CNC(=O)NOCC(=O)N Z1578687710 [0,1,0,0,0,2|0,1,0]=4 332 B9R0.24 CNC(=O)CNC(=O)CCl Z147651804 [0,2,0,0,0,1|0,1,0]=4 333 B9R0.42 CNC(=O)CN(C)C(=O)C Z221000320 [0,2,0,0,0,1|0,1,0]=4 334 B9R0.4 NC(=O)NC(=O)OCCCl Z826530154 [0,3,0,0,0,0|0,1,0]=4 335 B9R0.4 NCCCC(=O)NC(=O)N Z1416282444 [0,3,0,0,0,0|0,1,0]=4 336 B9R0.34 CCNC(=O)NC(=O)CCl Z56910355 [0,3,0,0,0,0|0,1,0]=4 337 B9R0.34 CNC(=O)NC(=O)CCCl Z108154224 [0,3,0,0,0,0|0,1,0]=4 338 B7R1.3 O=C1CNCCN1 Z56968535 [1,1,0,1,0,0|0,0,1]=4 339 B7R1.3 O=C1NCNCN1 Z1255437058 [1,1,0,1,0,0|0,0,1]=4 340 B7R1.3 S=C1NCNCN1 Z56756573 [1,1,0,1,0,0|0,0,1]=4 341 B7R1.4 CN1C=CNC1=O Z1198329852 [1,1,0,1,0,0|1,0,0]=4 342 B7R1.4 CN1CNCC1=O Z1601562352 [1,1,0,1,0,0|0,0,1]=4 343 B7R1.4 CN1NC=NC1=O Z1582263737 [1,1,0,1,0,0|0,0,1]=4 344 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [1,1,0,1,0,0|1,0,0]=4 345 B9R1.35 CC(=O)N1CSC(=N1)N Z1203590945 [0,0,0,1,0,2|1,0,0]=4 346 B9R1.35 NC(=O)C1CNC(=O)C1 Z57248576 [0,0,0,1,0,2|0,1,0]=4 347 B9R1.69 CC1=CNC(=O)NC1=O Z147641104 [0,1,0,1,0,1|0,1,0]=4 348 B9R1.69 CN1CC(=O)NCC1=O Z1203730954 [0,1,0,1,0,1|0,1,0]=4 349 B9R1.37 CC1C(=O)NC(=O)N1C Z993897304 [0,2,0,1,0,0|0,1,0]=4 350 B9R1.37 CN1C(=O)CC(C1=O)N Z1262398536 [0,2,0,1,0,0|0,1,0]=4 351 B9R1.37 CN1CC(=O)N(C1=N)C Z1998636669 [0,2,0,1,0,0|1,0,0]=4 352 B9R1.37 CN1N=C(N(C1=O)C)N Z1203589982 [0,2,0,1,0,0|1,0,0]=4 353 B9R1.37 CN1NC(=O)N(C1=O)C Z2511803350 [0,2,0,1,0,0|0,1,0]=4 354 B9R1.41 CC(=O)N1CCNC1=S Z56755947 [0,2,0,1,0,0|0,0,0]=3 355 B9R1.13 CC(=O)NC1=CNC=N1 Z1203732139 [0,2,0,1,0,0|1,0,0]=4 356 B9R1.13 CC(=O)NC1=CNN=C1 Z383458390 [0,2,0,1,0,0|1,0,0]=4 357 B9R1.22 CCC1NC(=O)NC1=O Z270832922 [0,2,0,1,0,0|0,1,0]=4 358 B9R1.22 NCC1NC(=O)NC1=O Z5935085403 [0,2,0,1,0,0|0,1,0]=4 359 B9R1.22 O=C1NC(=O)C(N1)CO Z425453006 [0,2,0,1,0,0|0,1,0]=4 360 B9R1.22 O=C1NC(=O)C(N1)CS Z235339363 [0,2,0,1,0,0|0,1,0]=4 361 B9R1.22 O=C1NC(=O)[C@@H](N1)CO Z1203747347 [0,2,0,1,0,0|0,1,0]=4 362 B9R1.34 CC1=CC(=O)NC(=C1)N Z104343026 [0,2,0,1,0,0|1,0,0]=4 363 B9R1.34 CC1=CC(=O)NC(=O)N1 Z56871945 [0,2,0,1,0,0|0,1,0]=4 364 B9R1.34 NC1CC(=O)NC(=O)C1 Z2867491050 [0,2,0,1,0,0|0,1,0]=4 365 B9R1.34 O=C1CC(=O)NC(=O)N1 Z104473234 [0,2,0,1,0,0|0,1,0]=4 366 B9R1.34 O=C1CC(=O)NC(=S)N1 Z104473236 [0,2,0,1,0,0|0,0,0]=3 367 B9R1.27 CCN1C(=O)CNC1=O Z54530685 [0,2,0,1,0,0|0,1,0]=4