0 B7R0.3 C#CCNC(=O)NC Z177091744 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.3 CCCCC(=O)CC Z406378226 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 CCCNC(=O)CC Z33030426 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 CCNCC(=O)NC Z55849445 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.3 CCNCC(=O)OC Z138464962 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 CNC(=N)CCOC Z2739543518 [0,0,0,0,0,0|1,1,2]=4 7 B7R0.3 CNC(=O)CCCN Z451350656 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 CNC(=O)NCCO Z177090556 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CNC(=O)OCCO Z1198150357 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 CNCCC(=O)NC Z852427258 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.3 CNCCC(=O)OC Z140562916 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 CCC(=O)COC Z825742020 [1,0,0,0,0,0|1,1,1]=4 13 B6R0.1 CCCC(=O)NO Z59181937 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.1 CCNC(=N)NC Z1357224692 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCOC(=O)NN Z104478458 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CNC(=O)CC#N Z56945997 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 CNC(=O)CCCl Z239813512 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.1 CNC(=O)CCN Z425449754 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.1 CNC(=O)CCO Z975909370 [1,0,0,0,0,0|0,1,2]=4 20 B6R0.1 CNC(C)CSC Z995116552 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.1 CNCC(=O)NC Z57981096 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.1 CNCC(=O)OC Z89264972 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 CCCNC(=O)C Z33030314 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|0,1,2]=4 30 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|0,1,2]=4 31 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 CSCCC(=N)N Z1266823407 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.6 CNCCCSC Z102766932 [1,0,0,0,0,0|0,0,3]=4 36 B8R0.1 CCCNC(=O)CNC Z56979317 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.1 CCNCC(=O)NCC Z55849446 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.6 CCCNCC(=O)NC Z104884728 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.6 CNC(=O)COCCN Z1457935024 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.6 CNC(=O)NCCCN Z3475808324 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.6 CNC(=O)NCCCO Z177090148 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.6 CNC(=O)OCCCN Z3465972444 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.8 CCNCC(=O)N(C)C Z104765936 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.8 CSCCC(=O)N(C)C Z32013664 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.19 C=CC(=O)NC(=O)NC Z235362893 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,1,0,0,0,0|1,0,2]=4 55 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.1 CCC1=NNC(=C1)N Z360168062 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.1 CNC1=CN(N=C1)C Z1255523371 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.1 CNC1=NC(=CS1)C Z48860943 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.1 CNC1=NC=C(S1)C Z3333486563 [0,0,0,1,0,0|2,1,0]=4 61 B8R1.1 CNC1=NN(C=C1)C Z1723633645 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,0,0,1,0,0|1,1,0]=3 63 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [0,0,0,1,0,0|0,1,0]=2 64 B8R1.1 COC1=NNC(=C1)N Z2658869770 [0,0,0,1,0,0|2,1,0]=4 65 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,0,0,1,0,0|0,1,2]=4 66 B8R1.1 CSC1=NC(=O)CN1 Z2602503120 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.1 CSC1=NC(=O)NN1 Z1799834383 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.2 CNC1=CC=CC=C1 Z104472478 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.2 CNC1=NC=NC=C1 Z800212728 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.2 CNC1=NN=CC=C1 Z991530894 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.3 CC1=CNC(=O)N=C1 Z1098236277 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.3 CC1=NNC(=O)C=C1 Z1201023044 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.3 NC1=NNC(=O)C=C1 Z1723418911 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.3 O=C1C=CC(=CN1)Br Z271004874 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.3 O=C1C=CC(=O)NN1 Z57032544 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.5 CN1C=CC=CC1=S Z56928900 [0,0,0,1,0,0|1,1,1]=4 80 B8R1.5 CN1C=CC=NC1=O Z1198218328 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.5 CN1CCNCC1=O Z1250100764 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.5 CN1CNCNC1=O Z5130722475 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.5 O=C1C=CC=CN1O Z1198152560 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,1,0,0|0,1,2]=4 86 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,1,0,0|0,0,2]=3 87 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.50 CC1=NC=C(N1C)Br Z1201623659 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.50 CC1=NC=C(N1C)N Z2310678658 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.50 CN1C(=O)C=CC1=O Z203053858 [0,0,0,1,0,0|2,0,0]=3 95 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.1 CC#CC(=O)N Z1203579284 [2,0,0,0,0,0|0,0,2]=4 97 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|0,0,2]=4 98 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.1 CNCC(=O)N Z415678308 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.1 COCC(=O)N Z33546778 [2,0,0,0,0,0|0,1,1]=4 101 B5R0.1 CSCC(=N)N Z1459934800 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|0,0,1]=3 103 B5R0.1 CSCS(=O)C Z1255438413 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.1 O=C(O)/C=C/I Z2327124440 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.2 C/C=C/OCC Z281777810 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.2 CNCCSC Z1398461959 [2,0,0,0,0,0|0,0,2]=4 107 B5R0.3 C/N=C(\C)/NC Z1431002714 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.3 C/N=C(\N)/NC Z1089996530 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.3 C/N=C(\N)/SC Z107728770 [2,0,0,0,0,0|1,0,1]=4 110 B5R0.3 CCC(=O)CC Z104476878 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.3 CCC(=O)NN Z56886418 [2,0,0,0,0,0|1,0,1]=4 112 B5R0.3 CNC(=O)CCl Z56891219 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.3 CNC(=O)CN Z57981102 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.3 CNC(=O)CO Z431952700 [2,0,0,0,0,0|0,1,1]=4 115 B5R0.3 CNC(=O)CS Z1203730878 [2,0,0,0,0,0|0,0,1]=3 116 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.2 CNC(=O)CC(=O)O Z963467722 [1,1,0,0,0,0|0,1,1]=4 119 B7R0.2 CNC(=O)CC(C)N Z1457935170 [1,1,0,0,0,0|0,0,2]=4 120 B7R0.2 CNC(=O)NC(=O)N Z56755567 [1,1,0,0,0,0|1,1,0]=4 121 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [1,1,0,0,0,0|1,0,0]=3 122 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [1,1,0,0,0,0|1,0,0]=3 123 B7R0.7 CCNC(=O)CNC Z594038090 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.7 CCOC(=O)CNC Z1262237263 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.10 CCC(=O)C(=O)CC Z104472286 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.10 CCC(N)C(=O)NC Z1449756338 [1,1,0,0,0,0|0,0,2]=4 127 B7R0.10 CCN(C)C(=O)NC Z1042069854 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.10 COC(=O)C(C)SC Z821313006 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,1,0,0,0,0|2,0,0]=4 131 B9R0.8 CNC(=O)C(O)CCSC Z1629562419 [0,2,0,0,0,0|0,0,2]=4 132 B9R0.34 CNC(=O)NC(=O)CCCl Z108154224 [0,2,0,0,0,0|2,0,0]=4 133 B9R0.24 COC(=O)/C=C/C(=O)OC Z49500377 [0,2,0,0,0,0|1,1,0]=4 134 B9R0.42 CNC(=O)NC(=O)C(C)Cl Z56912099 [0,2,0,0,0,0|2,0,0]=4 135 B7R1.1 CNC1=NOC=C1 Z2489381644 [1,0,0,1,0,0|1,1,0]=4 136 B7R1.1 COC1=NSC=C1 Z1198333966 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.2 CC1=CC(=NN1)C Z50145988 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.2 CC1=CC(=O)NO1 Z56761467 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.2 CC1=NNC(=C1)N Z55423088 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.2 CC1=NNC(=O)C1 Z50145989 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|0,0,2]=4 144 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|1,0,1]=4 146 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.2 O=C1CNC(=O)N1 Z57131035 [1,0,0,1,0,0|1,1,0]=4 149 B7R1.2 O=C1N=C(NN1)S Z1723849188 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.3 O=C1C=CC=CN1 Z1245646663 [1,0,0,1,0,0|0,0,2]=4 151 B7R1.3 O=C1C=CC=NN1 Z803153778 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.3 O=C1C=CCCC1 Z295197140 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.3 O=C1C=CCCO1 Z1255402681 [1,0,0,1,0,0|1,0,0]=3 154 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|0,0,2]=4 155 B7R1.3 O=C1CCCSC1 Z979714552 [1,0,0,1,0,0|1,0,1]=4 156 B7R1.3 O=C1CNCCN1 Z56968535 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.3 O=C1CSCCN1 Z337709368 [1,0,0,1,0,0|0,0,1]=3 158 B7R1.3 O=C1NCCCN1 Z1203730774 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.3 O=C1NCCCO1 Z1198312172 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.4 CC1=CC=NN1C Z826535916 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.4 CN1C=CNC1=O Z1198329852 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.4 CN1C=COC1=O Z2732441923 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,1,0,0|0,0,2]=4 165 B7R1.4 CN1CCNC1=O Z336079928 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.4 CN1CNCC1=O Z1601562352 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.4 CN1N=CC=C1N Z415654476 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.4 CN1NC=NC1=O Z1582263737 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.4 CN1SC=CC1=O Z3227502095 [1,0,0,1,0,0|0,0,0]=2 170 B7R1.22 CNC(=O)C1CC1 Z32016401 [1,0,0,1,0,0|0,0,2]=4 171 B9R1.2 CNC1=CC(=NC=C1)C Z1203748481 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.2 CNC1=CC(=O)NN=C1 Z1270443752 [0,1,0,1,0,0|1,0,1]=4 173 B9R1.2 CNC1=NC(=CC=C1)C Z600403388 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.2 CNC1=NC(=NC=C1)C Z960796268 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.2 COC1=CC(=O)NC=C1 Z1741975851 [0,1,0,1,0,0|0,1,1]=4 176 B9R1.2 CSC1=NC(=O)NC=C1 Z1203731116 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.7 CCCC1=CC(=O)NN1 Z2583036240 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.7 CNCC1=CC=C(O1)C Z56957484 [0,1,0,1,0,0|1,0,1]=4 179 B9R1.7 CNCC1=CC=C(S1)C Z198747904 [0,1,0,1,0,0|1,1,0]=4 180 B9R1.7 NCCC1=CC(=O)NN1 Z1483956795 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.22 CCC1=CC(=NN1C)N Z995041682 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.22 CNC1=NN(C=C1Br)C Z4287535260 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.22 CNC1=NN(C=C1Cl)C Z4240025643 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.22 COC1=CC(=NN1C)C Z1416158332 [0,1,0,1,0,0|1,1,0]=4 185 B9R1.22 COC1=CC(=NN1C)N Z1741785970 [0,1,0,1,0,0|1,1,0]=4 186 B9R1.22 CSC1=NC(=NN1C)N Z1201618228 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.27 CCN1C(=O)C=CC1=O Z205012234 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [0,1,0,1,0,0|1,0,1]=4 189 B9R1.69 CC1=C(C=CC(=O)N1)Br Z1251353594 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.69 CC1=C(NC(=O)C=C1)N Z3445688575 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.69 CC1=CNC(=O)C(=C1)C Z1203732572 [0,1,0,1,0,0|1,0,1]=4 192 B9R1.69 CC1=NNC(=O)C(=C1)Br Z1198221079 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.69 CC1CNC(=O)NC1=O Z55928832 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.69 CN1C=C(C=CC1=O)Br Z360013150 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.69 CN1C=C(C=CC1=O)N Z594413772 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.69 CN1C=CC(=CC1=O)N Z2235810134 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.69 CN1C=CC(=O)NC1=O Z154666196 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.69 CN1C=NC(=CC1=O)N Z1203580737 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.69 CN1CCC(=NC1=O)N Z2289798132 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.69 CN1CCC(=O)NC1=O Z852405042 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.69 CN1N=CC(=CC1=O)I Z1618126523 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.3 CC1=C(C(=O)C=CN1)C Z1203830064 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.3 CN1C(=O)C=CN=C1N Z990948114 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.3 CN1C(=O)C=CNC1=O Z2588063529 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.3 CN1C=CC=C(C1=O)Br Z1198320616 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.3 CN1C=CC=C(C1=O)O Z1201625929 [0,1,0,1,0,0|1,0,1]=4 207 B9R1.3 CN1C=NC=C(C1=O)N Z2492774469 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.3 CN1CCNC(=O)C1=O Z1037603248 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.11 CCC(=O)C1=CSC=C1 Z513734000 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.11 CNC(=O)C1=CC=CS1 Z32016662 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,1,0,1,0,0|1,0,0]=3 212 B9R1.11 CNC(=O)C1=CNN=C1 Z432051732 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.11 CNC(=O)C1C=CCN1 Z5395493041 [0,1,0,1,0,0|1,0,1]=4 214 B9R1.11 CNC(=O)C1CSCN1 Z1449756217 [0,1,0,1,0,0|0,0,2]=4 215 B9R1.11 CNC(=O)N1C=CC=N1 Z1203735158 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.11 CNC(=O)N1C=CN=C1 Z381541878 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.11 COC(=O)C1=NSC=C1 Z1255441912 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.37 CC1=CC(=O)N(C1=O)C Z390458732 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.37 CC1C(=O)NC(=O)N1C Z993897304 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.132 CC1=CC=C(N1C)C=O Z1198220874 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.132 CC1=CC=C(N1C)CN Z56968795 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.132 CC1=CN=C(N1C)C=O Z1198279984 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.132 CC1=NC=C(N1C)C=O Z1201623537 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.132 CCC1=C(C(=O)NC1)C Z1203731042 [0,1,0,1,0,0|1,0,0]=3 225 B9R1.132 CN1C(=CC=C1C=O)Cl Z1255436212 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.132 COC1=NNC(=O)N1C Z1255450941 [0,1,0,1,0,0|1,1,0]=4 227 B9R1.132 N#CC1=C(C(=O)NC1)O Z1203748523 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.1 CNC1=NC=C(C=C1)C Z359297596 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.1 CNC1=NN=C(C=C1)C Z802821708 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.1 COC1=NNC(=O)C=C1 Z1255391084 [0,1,0,1,0,0|1,1,0]=4 231 B9R1.1 CSC1=NNC(=O)C=C1 Z3300726140 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.1 CSC1=NNC(=O)CS1 Z1741839015 [0,1,0,1,0,0|1,0,1]=4 233 B9R1.1 NCC1=NNC(=O)C=C1 Z2230911335 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.21 CCC1=CSC(=N1)NC Z1037583482 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.79 COC(=O)C=C1CCC1 Z1255439803 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.23 CCC1=NN(C(=C1)N)C Z385401436 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.23 CCC1=NN(C(=O)C1)C Z50146895 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.23 COC1=NN(C(=C1)N)C Z2792040941 [0,1,0,1,0,0|1,1,0]=4 239 B9R1.35 CC(N)C1=CC(=O)NN1 Z2526715161 [0,1,0,1,0,0|2,0,0]=4 240 B4R0.1 C=CC(=C)C Z104474660 [3,0,0,0,0,0|1,0,0]=4 241 B4R0.1 C=CC(=O)O Z57127944 [3,0,0,0,0,0|1,0,0]=4 242 B4R0.1 CC(=O)C=O Z104495190 [3,0,0,0,0,0|0,1,0]=4 243 B4R0.1 CC(=O)NN Z58981787 [3,0,0,0,0,0|1,0,0]=4 244 B4R0.1 CC(=O)NO Z59181917 [3,0,0,0,0,0|1,0,0]=4 245 B4R0.1 CCC(=O)N Z33546482 [3,0,0,0,0,0|0,0,1]=4 246 B4R0.1 CNC(=N)C Z2146515751 [3,0,0,0,0,0|1,0,0]=4 247 B4R0.1 CNC(=O)C Z32016274 [3,0,0,0,0,0|0,0,0]=3 248 B4R0.1 CNC(=O)N Z56932989 [3,0,0,0,0,0|1,0,0]=4 249 B4R0.1 COC(=O)N Z104476722 [3,0,0,0,0,0|0,1,0]=4 250 B4R0.1 CSC(=N)N Z1741980405 [3,0,0,0,0,0|1,0,0]=4 251 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [2,1,0,0,0,0|1,0,0]=4 252 B6R0.2 CC(=CC(=O)N)C Z33546934 [2,1,0,0,0,0|0,0,0]=3 253 B6R0.2 CC(=CC(=O)O)C Z104480144 [2,1,0,0,0,0|1,0,0]=4 254 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [2,1,0,0,0,0|0,0,0]=3 255 B6R0.2 CC(=O)NC(=O)N Z104476284 [2,1,0,0,0,0|1,0,0]=4 256 B6R0.9 C/N=C(/NC)\SC Z107728778 [2,1,0,0,0,0|1,0,0]=4 257 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [1,2,0,0,0,0|0,0,1]=4 258 B10R0.34 CCOC(=O)C=C(SC)SC Z1688715249 [0,3,0,0,0,0|1,0,0]=4 259 B6R1.2 NC1=CSC=C1 Z1962138158 [2,0,0,1,0,0|1,0,0]=4 260 B6R1.2 O=C1C=CCO1 Z1219048777 [2,0,0,1,0,0|1,0,0]=4 261 B6R1.2 O=C1C=CNN1 Z1198154338 [2,0,0,1,0,0|1,0,0]=4 262 B6R1.2 O=C1C=CSN1 Z1741980421 [2,0,0,1,0,0|0,0,0]=3 263 B6R1.2 O=C1CCSC1 Z104495638 [2,0,0,1,0,0|0,0,1]=4 264 B6R1.1 C1=CCNCC1 Z1623864216 [2,0,0,1,0,0|0,0,1]=4 265 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [1,1,0,1,0,0|1,0,0]=4 266 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [1,1,0,1,0,0|0,0,1]=4 267 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [1,1,0,1,0,0|0,0,1]=4 268 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [1,1,0,1,0,0|1,0,0]=4 269 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [1,1,0,1,0,0|1,0,0]=4 270 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [1,1,0,1,0,0|1,0,0]=4 271 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [1,1,0,1,0,0|1,0,0]=4 272 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [1,1,0,1,0,0|1,0,0]=4 273 B8R1.18 CC1=CC(=NN1C)C Z1201023055 [1,1,0,1,0,0|1,0,0]=4 274 B8R1.18 CC1=CC(=NN1C)N Z995041200 [1,1,0,1,0,0|1,0,0]=4 275 B8R1.18 CC1=CC(=O)NN1C Z56822474 [1,1,0,1,0,0|0,0,0]=3 276 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [1,1,0,1,0,0|1,0,0]=4 277 B8R1.18 CC1=NN(C(=C1)N)C Z55423092 [1,1,0,1,0,0|1,0,0]=4 278 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [1,1,0,1,0,0|0,0,1]=4 279 B8R1.18 CN1CC(=NC1=O)N Z1203653661 [1,1,0,1,0,0|1,0,0]=4 280 B8R1.18 CN1CC(=O)NC1=O Z104473250 [1,1,0,1,0,0|1,0,0]=4 281 B8R1.18 CN1NC(=O)C=C1N Z361888728 [1,1,0,1,0,0|1,0,0]=4 282 B8R1.18 CN1NC(=O)N=C1S Z217165566 [1,1,0,1,0,0|1,0,0]=4 283 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [1,1,0,1,0,0|1,0,0]=4 284 B8R1.8 CNCC1=CSC=C1 Z57206125 [1,1,0,1,0,0|1,0,0]=4 285 B8R1.11 CC1=C(C=CS1)C=O Z1255365611 [1,1,0,1,0,0|1,0,0]=4 286 B8R1.11 CN1C=CC=C1C=O Z104485562 [1,1,0,1,0,0|0,0,1]=4 287 B8R1.11 CN1N=CC=C1C=O Z325191230 [1,1,0,1,0,0|1,0,0]=4 288 B10R1.14 CNC(=O)C1=CC=C(S1)C Z32016380 [0,2,0,1,0,0|1,0,0]=4 289 B10R1.14 CNC(=O)C1=CN(C=N1)C Z1203817002 [0,2,0,1,0,0|1,0,0]=4 290 B10R1.14 CNC(=O)C1=CN=C(S1)C Z851110644 [0,2,0,1,0,0|1,0,0]=4 291 B10R1.14 CNC(=O)C1=CSC(=C1)Br Z332659870 [0,2,0,1,0,0|0,0,1]=4 292 B10R1.14 CNC(=O)C1=CSC(=N1)N Z1020756324 [0,2,0,1,0,0|0,0,1]=4 293 B10R1.15 CNC(=O)C1CC=CCC1 Z183854878 [0,2,0,1,0,0|1,0,0]=4 294 B10R1.30 CC1=C(NC(=O)C=C1)CN Z4743747122 [0,2,0,1,0,0|1,0,0]=4 295 B10R1.35 CCC1=NN(C(=C1)C=O)C Z1270331882 [0,2,0,1,0,0|1,0,0]=4 296 B10R1.35 COC1=NN(C(=C1)C=O)C Z1726070384 [0,2,0,1,0,0|0,1,0]=4 297 B10R1.35 CSC1=NN(C(=C1)C=O)C Z4497313022 [0,2,0,1,0,0|0,0,0]=3 298 B10R1.119 CC1=C(C=CC(=O)N1C)Br Z1486265467 [0,2,0,1,0,0|1,0,0]=4 299 B10R1.119 CC1=CC=C(C(=O)N1C)N Z1501469697 [0,2,0,1,0,0|1,0,0]=4 300 B10R1.119 CN1C=CC(=O)N(C1=O)C Z221425992 [0,2,0,1,0,0|1,0,0]=4 301 B10R1.22 CC1=CC(=CC(=O)N1C)N Z1198165934 [0,2,0,1,0,0|1,0,0]=4 302 B10R1.22 CC1=CC(=CC(=O)N1C)O Z1198152015 [0,2,0,1,0,0|1,0,0]=4 303 B10R1.22 CC1=CC(=O)NC(=O)N1C Z3675973323 [0,2,0,1,0,0|1,0,0]=4 304 B10R1.22 CC1=CN(C(=O)C(=C1)Br)C Z1899713085 [0,2,0,1,0,0|1,0,0]=4 305 B10R1.22 CC1=CN(C(=O)C(=C1)N)C Z1416270723 [0,2,0,1,0,0|1,0,0]=4 306 B10R1.131 CSCC1=NN(C(=C1)C)C Z1446871754 [0,2,0,1,0,0|1,0,0]=4 307 B10R1.149 CNC(=O)C1=C(C=CS1)C Z32016379 [0,2,0,1,0,0|1,0,0]=4 308 B10R1.149 CNC(=O)C1=C(SC=C1)N Z406297346 [0,2,0,1,0,0|0,0,1]=4 309 B10R1.256 CC1=CC(=C(N1C)C=O)C Z1251356966 [0,2,0,1,0,0|1,0,0]=4 310 B10R1.2 CNC1=CC=CN(C1=O)C Z4519434522 [0,2,0,1,0,0|1,0,0]=4 311 B10R1.172 CNC1=CC(=CC=C1)SC Z335253758 [0,2,0,1,0,0|1,0,0]=4 312 B10R1.194 CC1=CC=C(N1C)C(=O)N Z168362656 [0,2,0,1,0,0|1,0,0]=4 313 B10R1.194 CC1=CC=C(N1C)C(=O)O Z154210042 [0,2,0,1,0,0|1,0,0]=4 314 B10R1.258 CSC1=NC=C(N1C)C=O Z1511751595 [0,2,0,1,0,0|0,0,0]=3 315 B10R1.258 CSC1=NC=C(N1C)CO Z1270377736 [0,2,0,1,0,0|0,0,1]=4 316 B10R1.3 CNC1=CC=C(C=C1)SC Z335261640 [0,2,0,1,0,0|1,0,0]=4 317 B10R1.58 CC(C)C1=CC(=O)N(N1)C Z1787355592 [0,2,0,1,0,0|1,0,0]=4