0 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.6 CC(=O)C1=CN=CC=C1 Z104474436 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 CC(=O)C1=CN=CN=C1 Z992240312 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 CC(=O)C1=NC=CC=C1 Z104474432 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.6 CC(=O)C1=NC=CN=C1 Z513735920 [0,0,0,0,0,0|1,0,3]=4 6 B9R1.6 CC(=O)C1=NN=CC=C1 Z1255432788 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,0,0,0,0|1,1,2]=4 9 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.6 NC(=O)C1=CNCCC1 Z1201618199 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.6 O=C(O)C1=COCCO1 Z56757223 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,0,0,0|1,1,2]=4 27 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.2 CSC1=NCCCN1 Z104341704 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 O=CC1=CCCCC1 Z1190318865 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 O=CC1=CCCOC1 Z979787886 [1,0,0,0,0,0|1,1,1]=4 32 B8R1.2 O=CC1=CCCSC1 Z1255380334 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.2 O=CC1=CCOCC1 Z1511760351 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 O=CC1=COCCC1 Z432415080 [1,0,0,0,0,0|1,1,0]=3 35 B8R1.2 O=CC1=COCCO1 Z1198154290 [1,0,0,0,0,0|1,1,0]=3 36 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.15 CNC(=O)C1CCCCN1 Z234895123 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.15 CNC(=O)C1COCCN1 Z1457934852 [0,1,0,0,0,0|0,1,2]=4 39 B10R1.15 COC(=O)C1C=CCCN1 Z3676740630 [0,1,0,0,0,0|1,0,1]=3 40 B10R1.15 COC(=O)C1COCCN1 Z1318356904 [0,1,0,0,0,0|0,1,2]=4 41 B10R1.28 CS(=O)(=O)C1CSCCN1 Z1245735324 [0,1,0,0,0,0|1,0,2]=4 42 B10R1.61 CC1=C(CCCO1)C(=O)O Z1205494283 [0,1,0,0,0,0|2,1,0]=4 43 B10R1.61 CC1=C(SCCO1)C(=O)O Z992759280 [0,1,0,0,0,0|2,1,0]=4 44 B10R1.61 NC(=O)C1NCCNC1=O Z4108540742 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.61 NC1=C(CCCN1)C(=O)O Z2467523232 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.363 CC1(C=CCCN1)C(=O)O Z4648131040 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.7 CC(=O)NCCCCN Z600498842 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,0,1,0,0,0|1,0,2]=4 50 B10R2.62 O=C1C[C@H]2C=C[C@@H]1CC2 Z1255439877 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.7 CC(=O)C1=CC=CN1 Z56899162 [0,0,0,0,1,0|0,0,2]=3 52 B8R1.7 CC(=O)C1=CC=CS1 Z57127896 [0,0,0,0,1,0|1,0,2]=4 53 B8R1.7 CC(=O)C1=CN=CO1 Z1255430875 [0,0,0,0,1,0|2,0,1]=4 54 B8R1.7 CC(=O)C1=CNC=C1 Z1154253452 [0,0,0,0,1,0|1,0,2]=4 55 B8R1.7 CC(=O)C1=CNC=N1 Z1198183596 [0,0,0,0,1,0|1,0,2]=4 56 B8R1.7 CC(=O)C1=CNN=C1 Z1966569327 [0,0,0,0,1,0|2,0,1]=4 57 B8R1.7 CC(=O)C1=CNN=N1 Z4098008860 [0,0,0,0,1,0|2,0,1]=4 58 B8R1.7 CC(=O)C1=COC=C1 Z1137167495 [0,0,0,0,1,0|0,1,2]=4 59 B8R1.7 CC(=O)C1=COC=N1 Z1255437997 [0,0,0,0,1,0|0,1,2]=4 60 B8R1.7 CC(=O)C1=CSC=C1 Z513734012 [0,0,0,0,1,0|0,0,2]=3 61 B8R1.7 CC(=O)C1=CSC=N1 Z1198162939 [0,0,0,0,1,0|0,0,2]=3 62 B8R1.7 CC(=O)C1=CSN=N1 Z1386913199 [0,0,0,0,1,0|1,0,1]=3 63 B8R1.7 CC(=O)C1=NC=CN1 Z2768175711 [0,0,0,0,1,0|1,0,2]=4 64 B8R1.7 CC(=O)C1=NC=CS1 Z1069877574 [0,0,0,0,1,0|0,0,3]=4 65 B8R1.7 CC(=O)C1=NNC=C1 Z1201023059 [0,0,0,0,1,0|1,0,2]=4 66 B8R1.7 CC(=O)C1=NSC=C1 Z1513630804 [0,0,0,0,1,0|1,0,2]=4 67 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,0,1,0|1,0,2]=4 68 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,0,1,0|1,0,2]=4 69 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,0,1,0|0,1,2]=4 70 B8R1.7 CC(N)C1=NCCN1 Z2754060679 [0,0,0,0,1,0|2,0,1]=4 71 B8R1.7 NC(=O)C1=CC=CN1 Z135897752 [0,0,0,0,1,0|1,0,2]=4 72 B8R1.7 NC(=O)C1=CC=NN1 Z1095213382 [0,0,0,0,1,0|2,0,1]=4 73 B8R1.7 NC(=O)C1=CSC=C1 Z82670330 [0,0,0,0,1,0|1,0,2]=4 74 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,0,1,0|1,0,2]=4 75 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,0,0,0,1,0|1,0,2]=4 76 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,0,0,0,1,0|1,0,2]=4 77 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,0,1,0|2,0,0]=3 78 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,0,0,0,1,0|2,0,0]=3 79 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,0,0,0,1,0|2,0,1]=4 80 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,0,1,0|1,1,0]=3 81 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,0,0,0,1,0|1,0,2]=4 82 B8R1.7 O=C(O)C1=CSC=N1 Z800222638 [0,0,0,0,1,0|1,0,2]=4 83 B8R1.7 O=C(O)C1=CSN=C1 Z1198181914 [0,0,0,0,1,0|2,0,1]=4 84 B8R1.7 O=C(O)C1=CSN=N1 Z178960862 [0,0,0,0,1,0|2,0,1]=4 85 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,0,1,0|2,1,0]=4 86 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,0,1,0|1,0,2]=4 87 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,0,1,0|1,0,2]=4 88 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,0,1,0|2,0,1]=4 89 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,0,1,0|1,0,2]=4 90 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,0,1,0|1,0,2]=4 91 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,0,1,0|1,0,1]=3 92 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,0,0,0,1,0|2,0,1]=4 93 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,0,1,0|1,0,2]=4 94 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,0,1,0|1,0,2]=4 95 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,0,1,0|1,0,2]=4 96 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,0,1,0|1,0,2]=4 97 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,0,0,0,0,1|0,1,2]=4 98 B10R1.18 CC(=O)OC1=CCCCC1 Z426041318 [0,0,0,0,0,1|2,0,0]=3 99 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,0,0,1|3,0,0]=4 100 B7R0.4 C#CCCNC(=O)C Z1188389866 [1,0,1,0,0,0|1,0,1]=4 101 B7R0.4 CC(=O)NCCCN Z295405102 [1,0,1,0,0,0|1,0,1]=4 102 B7R0.4 CC(=O)NCCCO Z353570744 [1,0,1,0,0,0|2,0,0]=4 103 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,1,0,0,0|2,0,0]=4 104 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,1,0,0,0|1,0,1]=4 105 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,1,0,0,0|1,0,1]=4 107 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,0,1,0,0,0|1,1,0]=4 108 B7R1.3 CC1CSCCN1 Z334686282 [2,0,0,0,0,0|0,0,2]=4 109 B7R1.3 O=C1C=CCCC1 Z295197140 [2,0,0,0,0,0|2,0,0]=4 110 B7R1.3 O=C1C=CCCO1 Z1255402681 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.3 O=C1CCCCN1 Z168817684 [2,0,0,0,0,0|1,0,1]=4 112 B7R1.3 O=C1CCCSC1 Z979714552 [2,0,0,0,0,0|1,0,1]=4 113 B7R1.3 O=C1CNCCN1 Z56968535 [2,0,0,0,0,0|1,0,1]=4 114 B7R1.3 O=C1CSCCN1 Z337709368 [2,0,0,0,0,0|0,0,1]=3 115 B7R1.3 O=C1NCCCN1 Z1203730774 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.3 O=C1NCCCO1 Z1198312172 [2,0,0,0,0,0|2,0,0]=4 117 B9R0.46 COC(=O)CCSCCN Z440803698 [0,1,1,0,0,0|0,0,2]=4 118 B9R1.11 CCC(=O)C1=CSC=C1 Z513734000 [0,1,0,0,1,0|0,0,2]=4 119 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,1,0,0,1,0|1,0,0]=3 120 B9R1.11 CNC(=O)C1C=CCN1 Z5395493041 [0,1,0,0,1,0|0,0,2]=4 121 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [0,1,0,0,1,0|0,0,2]=4 122 B9R1.11 CNC(=O)C1CSCN1 Z1449756217 [0,1,0,0,1,0|0,0,2]=4 123 B9R1.11 COC(=O)C1=CC=CN1 Z98449444 [0,1,0,0,1,0|0,0,2]=4 124 B9R1.11 COC(=O)C1=CN=CN1 Z1250100745 [0,1,0,0,1,0|1,0,1]=4 125 B9R1.11 COC(=O)C1C=CCN1 Z2901372895 [0,1,0,0,1,0|0,0,2]=4 126 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,0,1,0|0,0,2]=4 127 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [0,1,0,0,1,0|1,0,1]=4 128 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [0,1,0,0,1,0|0,0,1]=3 129 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,0,1,0|0,0,2]=4 130 B9R1.11 NCC(=O)C1=CC=NN1 Z5198855335 [0,1,0,0,1,0|1,0,1]=4 131 B9R1.11 O=C(CCl)C1=CC=CN1 Z56912626 [0,1,0,0,1,0|0,0,2]=4 132 B9R1.11 O=C(CCl)C1=CSC=N1 Z1205658627 [0,1,0,0,1,0|0,0,2]=4 133 B9R1.11 O=C(CCl)C1=CSN=C1 Z2408375200 [0,1,0,0,1,0|1,0,1]=4 134 B9R1.11 O=C(CCl)C1=CSN=N1 Z1386913829 [0,1,0,0,1,0|1,0,1]=4 135 B9R1.35 CC(=O)C1=CN=C(N1)N Z1198276815 [0,1,0,0,1,0|1,0,1]=4 136 B9R1.35 CC(=O)C1=CSC(=C1)C Z1238833318 [0,1,0,0,1,0|0,0,2]=4 137 B9R1.35 CC(=O)C1=CSC(=N1)C Z217164388 [0,1,0,0,1,0|0,0,2]=4 138 B9R1.35 CC(=O)C1=CSC(=N1)N Z104341148 [0,1,0,0,1,0|0,0,2]=4 139 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,1,0,0,1,0|2,0,0]=4 140 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [0,1,0,0,1,0|1,0,1]=4 141 B9R1.41 CC(=O)C1=CC=CN1C Z1255461119 [0,1,0,0,1,0|0,0,2]=4 142 B9R1.41 CC(=O)C1=CC=NN1C Z1183445308 [0,1,0,0,1,0|1,0,1]=4 143 B9R1.41 CC(=O)C1=CN=CN1C Z1198180277 [0,1,0,0,1,0|1,0,1]=4 144 B9R1.41 CC(=O)C1=CN=NN1C Z1216849080 [0,1,0,0,1,0|2,0,0]=4 145 B9R1.41 CC(=O)C1=CSC=C1Br Z1778350568 [0,1,0,0,1,0|0,0,2]=4 146 B9R1.41 CC(=O)C1=CSN=C1C Z1255439768 [0,1,0,0,1,0|1,0,1]=4 147 B9R1.41 CC(=O)N1CCNC1=S Z56755947 [0,1,0,0,1,0|2,0,0]=4 148 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,1,0,0,1,0|2,0,0]=4 149 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [0,1,0,0,1,0|2,0,0]=4 150 B11R1.40 COC(=O)CC1CSCCN1 Z1245537914 [0,1,0,0,0,1|0,0,2]=4 151 B11R1.16 CCOC(=O)C1CSCCN1 Z234986368 [0,2,0,0,0,0|0,0,2]=4 152 B9R1.7 CC1=CC=C(S1)CCN Z3038322398 [0,0,1,1,0,0|1,1,0]=4 153 B9R1.7 CC1=NN(C=C1)CCN Z3248014730 [0,0,1,1,0,0|2,0,0]=4 154 B9R1.13 CC(=O)NC1=NCCS1 Z30009074 [0,0,1,1,0,0|1,0,1]=4 155 B9R1.23 CCN1C=C(C(=N1)C)N Z2106593745 [0,0,1,1,0,0|2,0,0]=4 156 B11R2.10 O=C1C=C2NCCC=C2O1 Z1203733742 [0,0,0,1,0,1|2,0,0]=4 157 B11R2.678 O=C1CC2CSCC(C1)N2 Z3244520874 [0,0,0,1,0,1|0,0,2]=4 158 B7R1.1 CNC1=NCCN1 Z3072981652 [1,0,0,0,1,0|2,0,0]=4 159 B7R1.1 CNC1=NCCS1 Z744843656 [1,0,0,0,1,0|1,0,1]=4 160 B7R1.1 CSC1=NCCN1 Z56790627 [1,0,0,0,1,0|2,0,0]=4 161 B7R1.1 O=CC1=CC=CN1 Z104478580 [1,0,0,0,1,0|0,0,2]=4 162 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,0,1,0|1,0,0]=3 163 B7R1.1 O=CC1=CCSC1 Z57981092 [1,0,0,0,1,0|0,0,2]=4 164 B7R1.1 O=CC1=CSC=C1 Z57887873 [1,0,0,0,1,0|0,0,2]=4 165 B7R1.1 O=CC1=CSC=N1 Z734052598 [1,0,0,0,1,0|0,0,2]=4 166 B7R1.1 O=CC1=CSN=N1 Z367664148 [1,0,0,0,1,0|1,0,1]=4 167 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,0,1,0|0,0,2]=4 168 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,0,2,0|1,0,1]=4 169 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [1,0,0,0,0,1|2,0,0]=4