0 B9R1.3 CC1=C(C(CCC1)N)C Z3814443111 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.3 CC1CCCC(C1C)N Z104478930 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.3 CC1CCCC(C1N)C Z359419654 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.3 CC1CCCC(C1N)O Z1509035391 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.3 CC1CCCC(C1O)C Z335244846 [0,0,0,0,0,0|1,0,3]=4 6 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.3 CC1CNCC(=O)N1C Z3064472006 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.3 CC1CNCC(S1=O)C Z2087755672 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.3 CC1NCCN(C1=O)C Z1742055046 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.3 CC1NCCS(=O)C1C Z1229798426 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.3 CN1C=CNC(=O)C1=O Z1020694354 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.3 CN1CCCC(C1=O)N Z1203581592 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.3 CN1CCNC(=O)C1=O Z1037603248 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.3 CN1CNCN(C1=O)C Z1203825097 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Z4513729412 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [1,0,0,0,0,0|0,0,1]=2 18 B8R1.4 CC1=CC(CCC1)N Z3895215954 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.4 CC1=CC(CCC1)O Z1255423437 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.4 CC1=CC(CNC1)C Z1966484556 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [1,0,0,0,0,0|1,0,2]=4 24 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,0,0,0,0|0,0,1]=2 25 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.4 CC1CCCC(C1)N Z367450918 [1,0,0,0,0,0|1,0,2]=4 27 B8R1.4 CC1CCCC(N1)C Z104474330 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.4 CC1CCN=C(N1)N Z3512513301 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.4 O=C1CC(CCN1)O Z1198221829 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.5 CC1=C(CCNC1)Br Z4428787505 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.5 CC1=C(CNCC1)C Z1966489842 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.5 CC1CCCCC1=O Z104477192 [1,0,0,0,0,0|0,0,1]=2 41 B8R1.5 CC1CCCCC1O Z104478402 [1,0,0,0,0,0|0,0,3]=4 42 B8R1.5 CC1CCCNC1=O Z1013766916 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.5 CC1CCCNC1C Z959345762 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.5 CC1CNCCC1=O Z1741969235 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.5 CC1COCCC1=O Z1192338803 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.5 CC1NCCNC1=O Z336079670 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.5 CC1SCCCC1=O Z1359849054 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.5 CC1SCCNC1=O Z1098219156 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.5 CN1CCCN=C1N Z2865417319 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 CN1CCNCC1=O Z1250100764 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.5 CN1CNCNC1=O Z5130722475 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [1,0,0,0,0,0|0,0,3]=4 53 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [1,0,0,0,0,0|0,0,3]=4 54 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [1,0,0,0,0,0|1,0,2]=4 55 B8R1.5 ClC1=C(CNCC1)Cl Z1572021773 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.5 NC1CCCCC1=O Z2186882796 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.5 NC1CCCNC1=O Z993991168 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.5 NN1CCCCC1=O Z976663668 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.5 O=C1CCCCC1=O Z90122041 [1,0,0,0,0,0|0,0,0]=1 60 B8R1.5 O=C1CCCCC1Cl Z94598693 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.5 O=C1NCCCC1F Z1203749514 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.2 CCN1CCNC(C1=O)C Z1142591306 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.2 CN1CCCC(C1=O)CN Z4987423402 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.2 CN1CCCC(C1=O)CO Z1255357749 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.119 CC1=C(C(=O)C(CO1)O)O Z1198158588 [0,1,0,0,0,0|1,0,2]=4 66 B10R1.119 CC1CCN(C(=O)C1N)C Z5071264854 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.245 CC1=CCCC(C1C=O)C Z1255423887 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.245 CC1CCNC(=O)C1CN Z3482333911 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.301 CC1(CCCC(C1=O)Cl)C Z1262482353 [0,1,0,0,0,0|1,0,1]=3 70 B10R1.301 CN1CCCC(C1=O)(Cl)Cl Z1486011733 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.301 CN1CCNC(C1=O)(C)C Z1398461606 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.2 CC(C)N(C)C(=O)CCl Z147647322 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.2 CCC(=O)N(C)C(C)C Z280750384 [0,0,1,0,0,0|2,0,0]=3 75 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,0,1,0,0,0|1,0,0]=2 76 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,0,1,0,0,0|2,0,1]=4 77 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,0,1,0,0,0|2,0,1]=4 79 B8R0.2 CCN(C)C(=O)C(C)N Z1450265575 [0,0,1,0,0,0|2,0,1]=4 80 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,0,1,0,0,0|2,0,1]=4 81 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,0,1,0,0,0|2,0,1]=4 82 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,0,1,0,0,0|2,0,1]=4 83 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,0,1,0,0,0|2,0,1]=4 84 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [0,0,1,0,0,0|2,0,1]=4 85 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [0,0,1,0,0,0|2,0,1]=4 86 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [0,0,1,0,0,0|2,0,1]=4 87 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,0,1,0,0,0|1,0,1]=3 88 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,0,1,0,0,0|2,0,1]=4 90 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,0,1,0,0,0|2,0,1]=4 91 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.6 CCCCCC(=O)NO Z59181978 [0,0,1,0,0,0|1,0,1]=3 95 B8R0.6 CCCCNC(=O)CCl Z56853747 [0,0,1,0,0,0|2,0,1]=4 96 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,0,1,0,0,0|2,0,1]=4 97 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.6 CCCNCC(=O)NC Z104884728 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,0,1,0,0,0|3,0,0]=4 102 B8R0.6 CNCCCC(=O)OC Z415636552 [0,0,1,0,0,0|3,0,0]=4 103 B8R0.6 COC(=O)CCCCN Z854942764 [0,0,1,0,0,0|3,0,0]=4 104 B10R2.41 O=C1C2CCCC1CC2 Z445152472 [0,0,0,1,0,0|1,0,1]=3 105 B10R2.63 CC1CN2CC(=O)C1C2 Z5336163215 [0,0,0,1,0,0|2,0,1]=4 106 B10R2.68 O=C1NCCC2C1CC2 Z3243444395 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,0,0,0,1,0|0,0,2]=3 108 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,0,0,0,1,0|1,0,2]=4 109 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,0,0,0,1,0|2,0,1]=4 110 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,0,0,0,1,0|3,0,0]=4 111 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,0,0,0,1,0|2,0,1]=4 112 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.275 CN1CCCCC(C1=O)N Z3487038024 [0,0,0,0,0,1|2,0,1]=4 114 B10R1.277 CC1CCCC(C(=O)N1)C Z1203747900 [0,0,0,0,0,1|1,0,1]=3 115 B7R0.2 CC(C)NC(=O)CN Z316170536 [1,0,1,0,0,0|2,0,0]=4 116 B7R0.2 CC(C)NC(=O)CO Z431952044 [1,0,1,0,0,0|2,0,0]=4 117 B7R0.2 CC(C)OC(=O)CN Z1245635749 [1,0,1,0,0,0|2,0,0]=4 118 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,0,1,0,0,0|1,0,1]=4 119 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,0,1,0,0,0|1,0,1]=4 120 B7R0.2 CCC(C)NC(=O)N Z56979270 [1,0,1,0,0,0|2,0,0]=4 121 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [1,0,1,0,0,0|2,0,0]=4 122 B7R0.5 C=C(C)C(=O)OCC Z852747724 [1,0,1,0,0,0|2,0,0]=4 123 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,1,0,0,0|1,0,1]=4 124 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,1,0,0,0|0,0,1]=3 125 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,1,0,0,0|1,0,1]=4 126 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,1,0,0,0|1,0,1]=4 127 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,1,0,0,0|1,0,1]=4 128 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [1,0,1,0,0,0|2,0,0]=4 129 B7R0.5 CCNC(=O)C(C)N Z89265773 [1,0,1,0,0,0|2,0,0]=4 130 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,1,0,0,0|1,0,1]=4 131 B7R0.5 CCOC(=N)C(C)C Z1623864182 [1,0,1,0,0,0|2,0,0]=4 132 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,0,1,0,0,0|1,0,0]=3 133 B7R0.5 CCOC(=O)C(=O)N Z104475764 [1,0,1,0,0,0|2,0,0]=4 134 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,1,0,0,0|1,0,1]=4 135 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,1,0,0,0|1,0,1]=4 136 B7R0.5 COCC(=O)C(C)C Z825742022 [1,0,1,0,0,0|1,0,1]=4 137 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,1,0,0,0|1,0,1]=4 138 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,1,0,0,0|1,0,1]=4 139 B7R0.10 CCC(=O)C(=O)CC Z104472286 [1,0,1,0,0,0|0,0,0]=2 140 B7R0.10 CCC(C)C(=N)OC Z975823972 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.10 CCC(C)C(=O)CN Z4526173679 [1,0,1,0,0,0|1,0,1]=4 142 B7R0.10 CCC(N)C(=O)NC Z1449756338 [1,0,1,0,0,0|2,0,0]=4 143 B7R0.10 CCN(C)C(=O)NC Z1042069854 [1,0,1,0,0,0|2,0,0]=4 144 B7R0.10 CNC(=O)C(C)CN Z2079695013 [1,0,1,0,0,0|2,0,0]=4 145 B7R0.10 COC(=O)C(C)CN Z1357902409 [1,0,1,0,0,0|2,0,0]=4 146 B7R0.10 COC(=O)C(C)SC Z821313006 [1,0,1,0,0,0|2,0,0]=4 147 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [1,0,1,0,0,0|1,0,0]=3 148 B7R0.3 CC/C=C/C(=O)NC Z404206580 [1,0,1,0,0,0|1,0,1]=4 149 B7R0.3 CCC(=O)NCCN Z1455674775 [1,0,1,0,0,0|2,0,0]=4 150 B7R0.3 CCCCC(=O)CC Z406378226 [1,0,1,0,0,0|0,0,1]=3 151 B7R0.3 CCCNC(=O)CC Z33030426 [1,0,1,0,0,0|1,0,0]=3 152 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [1,0,1,0,0,0|1,0,1]=4 153 B7R0.7 CCNC(=O)CCCl Z239813542 [1,0,1,0,0,0|2,0,0]=4 154 B7R0.7 CCNC(=O)CCN Z1449756826 [1,0,1,0,0,0|2,0,0]=4 155 B7R0.7 CCNC(=O)CCO Z975909368 [1,0,1,0,0,0|2,0,0]=4 156 B7R0.7 CCNC(=O)CNC Z594038090 [1,0,1,0,0,0|2,0,0]=4 157 B7R0.7 CCOC(=O)CNC Z1262237263 [1,0,1,0,0,0|2,0,0]=4 158 B7R0.7 CCOC(=O)OCC Z104482516 [1,0,1,0,0,0|2,0,0]=4 159 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,1,0,0,0|2,0,0]=4 160 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,1,0,0,0|0,0,1]=3 161 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,1,0,0,0|2,0,0]=4 162 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,1,0,0,0|2,0,0]=4 163 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,1,0,0,0|1,0,1]=4 165 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,1,0,0,0|1,0,1]=4 166 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,1,0,0,0|1,0,1]=4 167 B7R0.4 CCNCCC(=O)N Z2681234913 [1,0,1,0,0,0|2,0,0]=4 168 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,1,0,0,0|1,0,1]=4 169 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,1,0,0,0|1,0,1]=4 170 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,1,0,0,0|1,0,1]=4 171 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,1,0,0,0|1,0,1]=4 172 B7R0.4 COCCCC(=O)C Z406376722 [1,0,1,0,0,0|1,0,1]=4 173 B7R0.4 COCCCC(=O)O Z316258912 [1,0,1,0,0,0|1,0,1]=4 174 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,1,0,0,0|1,0,1]=4 175 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,1,0,0,0|2,0,0]=4 176 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,1,0,0,0|1,0,1]=4 177 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,1,0,0,0|1,0,1]=4 178 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,1,0,0,0|1,0,1]=4 179 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,1,0,0,0|1,0,1]=4 180 B7R1.3 CC1=CCCNC1 Z2143573194 [2,0,0,0,0,0|2,0,0]=4 181 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [2,0,0,0,0,0|1,0,1]=4 182 B7R1.3 FC1=CCCNC1 Z1570657372 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.3 NC1=NCCCC1 Z1723418848 [2,0,0,0,0,0|2,0,0]=4 184 B7R1.3 NC1C=CCCC1 Z1203579654 [2,0,0,0,0,0|1,0,0]=3 185 B7R1.3 O=C1C=CCCC1 Z295197140 [2,0,0,0,0,0|0,0,1]=3 186 B7R1.3 O=C1C=CCCO1 Z1255402681 [2,0,0,0,0,0|1,0,1]=4 187 B7R1.3 O=C1CCCCC1 Z104474256 [2,0,0,0,0,0|0,0,1]=3 188 B7R1.3 O=C1CCCCN1 Z168817684 [2,0,0,0,0,0|1,0,0]=3 189 B7R1.3 O=C1CCCCO1 Z432085120 [2,0,0,0,0,0|1,0,0]=3 190 B7R1.3 O=C1CCCCS1 Z1726147018 [2,0,0,0,0,0|1,0,0]=3 191 B7R1.3 O=C1CCCNC1 Z3063726909 [2,0,0,0,0,0|1,0,1]=4 192 B7R1.3 O=C1CCCNN1 Z1416174508 [2,0,0,0,0,0|2,0,0]=4 193 B7R1.3 O=C1CCCSC1 Z979714552 [2,0,0,0,0,0|1,0,1]=4 194 B7R1.3 O=C1CCNCC1 Z1741959513 [2,0,0,0,0,0|1,0,1]=4 195 B7R1.3 O=C1CNCCN1 Z56968535 [2,0,0,0,0,0|2,0,0]=4 196 B7R1.3 O=C1CSCCN1 Z337709368 [2,0,0,0,0,0|2,0,0]=4 197 B7R1.3 O=C1NCCCN1 Z1203730774 [2,0,0,0,0,0|2,0,0]=4 198 B7R1.3 O=C1NCCCO1 Z1198312172 [2,0,0,0,0,0|2,0,0]=4 199 B9R0.6 CCOC(=O)C(=C(C)C)F Z1424782014 [0,1,1,0,0,0|1,0,1]=4 200 B9R0.6 CCOC(=O)C(N)C(C)C Z1511495073 [0,1,1,0,0,0|1,0,1]=4 201 B9R0.6 CNCC(C)N(C)C(=O)C Z5023958822 [0,1,1,0,0,0|2,0,0]=4 202 B9R0.27 CCC(C)C(N)C(=O)OC Z90123616 [0,1,1,0,0,0|1,0,1]=4 203 B9R0.8 CCNCC(C)C(=O)OC Z431542702 [0,1,1,0,0,0|2,0,0]=4 204 B9R0.23 CCC(=O)C(C)CC(C)C Z1138187020 [0,1,1,0,0,0|1,0,1]=4 205 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,1,1,0,0,0|1,0,1]=4 206 B9R0.35 CCCC(C)C(=O)CC#N Z360167292 [0,1,1,0,0,0|1,0,1]=4 207 B9R0.35 CCOC(=O)C(=O)OCC Z104473164 [0,1,1,0,0,0|1,0,0]=3 208 B9R0.60 CCCC(C)(N)C(=O)OC Z324254272 [0,1,1,0,0,0|2,0,0]=4 209 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [0,1,1,0,0,0|2,0,0]=4 210 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.46 C=CC(=O)OCCNCC Z5030116647 [0,1,1,0,0,0|2,0,0]=4 212 B9R0.46 CCCCCNC(=O)CCl Z147647946 [0,1,1,0,0,0|1,0,1]=4 213 B9R0.46 CCCCCNC(=O)NN Z234895165 [0,1,1,0,0,0|2,0,0]=4 214 B9R0.46 CNCCCCC(=O)NC Z5446045777 [0,1,1,0,0,0|2,0,0]=4 215 B9R0.46 COC(=O)CCCCCN Z57012282 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,1,1,0,0,0|2,0,0]=4 217 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,1,1,0,0,0|2,0,0]=4 218 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,1,1,0,0,0|0,0,2]=4 219 B9R0.47 COCCNC(=O)C(=O)O Z424779030 [0,1,1,0,0,0|2,0,0]=4 220 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [1,1,0,0,0,0|0,0,2]=4 221 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [1,1,0,0,0,0|0,0,1]=3 223 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [1,1,0,0,0,0|1,0,0]=3 225 B9R1.2 N#CC1CCCC(=O)C1 Z907709920 [1,1,0,0,0,0|0,0,2]=4 226 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [1,1,0,0,0,0|1,0,0]=3 228 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.66 CC1(CNCC(=O)N1)C Z2867580462 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.66 CC1(COCC(=O)N1)C Z1198274805 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.69 CC1CC(=O)CCN1C Z825754016 [1,1,0,0,0,0|1,0,1]=4 234 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [1,1,0,0,0,0|0,0,1]=3 235 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [1,1,0,0,0,0|1,0,0]=3 236 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.15 CC1CCCCC1C=O Z1268606365 [1,1,0,0,0,0|0,0,2]=4 238 B9R1.15 CCC1CCCNC1=O Z1203731521 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.15 CCC1NCCNC1=O Z57663834 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.15 CCN1CCCNC1=O Z1203733831 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.15 CNC1CCCNC1=O Z1795818556 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.15 CSC1CCCCC1=O Z732208578 [1,1,0,0,0,0|0,0,1]=3 243 B9R1.15 N#CC1=C(CCCC1)Cl Z1251189979 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.15 N#CC1=C(CCCC1)N Z826654472 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.15 N#CC1CCCCC1=O Z1137167009 [1,1,0,0,0,0|0,0,2]=4 246 B9R1.15 NCC1CCCNC1=O Z2289798362 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.15 O=C1NCCCC1CO Z1203732010 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.15 O=C1NCCOC1CO Z2239006921 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [1,1,0,0,0,0|0,0,1]=3 250 B9R1.40 CC1(NCCOC1=O)C Z406682076 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.40 CC1(SCCNC1=O)C Z1203732470 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.40 O=C1NCCCC1(Cl)Cl Z1255372866 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.132 CN1C(=O)CCC1CO Z1255502015 [0,1,0,0,1,0|2,0,0]=4 254 B9R1.132 CNC1CCN(C1=O)C Z2044707009 [0,1,0,0,1,0|2,0,0]=4 255 B9R1.138 CC1(CCC(C1=O)Cl)C Z1350877025 [0,1,0,0,1,0|1,0,1]=4 256 B11R1.381 CN1CCCCC(C1=O)C=O Z2432656789 [0,1,0,0,0,1|1,0,1]=4 257 B11R1.945 CC1(CCCC(=C1N)C#N)C Z1408807711 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.945 CC1(CCCC(C1=O)C#N)C Z1350908812 [0,2,0,0,0,0|1,0,1]=4 259 B11R1.424 CC1=C(C(CCC1)(C)C)C=O Z1255386953 [0,2,0,0,0,0|1,0,0]=3 260 B11R1.424 CC1=C(C(CCC1)(C)C)CO Z1198234378 [0,2,0,0,0,0|1,0,1]=4 261 B9R1.41 CC(C)C1CCCC1=O Z993018308 [0,0,1,1,0,0|1,0,1]=4 262 B9R1.185 CCC(=O)C1CC1(C)C Z1198323211 [0,0,1,1,0,0|1,0,1]=4 263 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,0,1,1,0,0|2,0,0]=4 264 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,0,1,1,0,0|1,0,1]=4 265 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,0,1,1,0,0|1,0,1]=4 266 B9R1.11 C=CC(=O)N1CCCC1 Z440633532 [0,0,1,1,0,0|2,0,0]=4 267 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [0,0,1,1,0,0|1,0,1]=4 268 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,0,1,1,0,0|1,0,1]=4 269 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,0,1,1,0,0|2,0,0]=4 270 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,0,1,1,0,0|2,0,0]=4 271 B9R1.11 NNC(=O)C1CCCC1 Z58981928 [0,0,1,1,0,0|2,0,0]=4 272 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [0,0,1,1,0,0|1,0,1]=4 273 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [0,0,1,1,0,0|1,0,1]=4 274 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [0,0,1,1,0,0|1,0,1]=4 275 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [0,0,1,1,0,0|1,0,1]=4 276 B9R1.7 CCCC1CNC(=O)C1 Z1201628058 [0,0,1,1,0,0|2,0,0]=4 277 B9R1.16 CC1CC1CCCC=O Z3271342479 [0,0,1,1,0,0|1,0,1]=4 278 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,0,1,1,0,0|1,0,1]=4 279 B9R1.79 O=C(CCl)CC1CCC1 Z1827533014 [0,0,1,1,0,0|1,0,1]=4 280 B9R1.80 O=C(CCl)CCC1CC1 Z2408823652 [0,0,1,1,0,0|1,0,1]=4 281 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [0,0,1,1,0,0|1,0,0]=3 282 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,0,1,1,0,0|1,0,1]=4 283 B9R1.89 O=CC1CCCOCC1 Z1268606450 [0,0,1,1,0,0|2,0,0]=4 284 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [0,0,1,1,0,0|1,0,1]=4 285 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [0,0,1,1,0,0|0,0,2]=4 286 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [0,0,1,1,0,0|1,0,1]=4 287 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [0,0,1,1,0,0|1,0,1]=4 288 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [1,0,0,1,0,0|1,0,1]=4 289 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [1,0,0,1,0,0|1,0,0]=3 290 B9R2.40 CC12CCC(=O)C1O2 Z1513595022 [0,0,0,1,1,0|0,0,2]=4 291 B11R2.68 CC1CCC2CC1NC2=O Z1203749581 [0,0,0,1,0,1|1,0,1]=4 292 B11R2.565 O=C1C2CCCC1CCC2 Z1259338820 [0,1,0,1,0,0|1,0,1]=4 293 B11R2.565 O=C1C2CCCC1COC2 Z1509060896 [0,1,0,1,0,0|0,0,2]=4 294 B11R2.1477 CN1CCCC2(C1=O)CO2 Z2788057162 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.2 CC1CC(=O)CN1 Z1509349081 [1,0,0,0,1,0|1,0,1]=4 296 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,0,1,0|1,0,0]=3 297 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,0,1,0|1,0,0]=3 298 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,0,1,0|1,0,1]=4 299 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,0,0,0,1,0|2,0,0]=4 300 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,0,1,0|2,0,0]=4 301 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,0,1,0|1,0,1]=4 302 B7R1.2 CN1CCC(=O)N1 Z1618125551 [1,0,0,0,1,0|2,0,0]=4 303 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [1,0,0,0,1,0|1,0,1]=4 304 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,0,1,0|0,0,0]=2 305 B7R1.4 CC1CCCC1N Z1219738990 [1,0,0,0,1,0|1,0,1]=4 306 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,0,1,0|1,0,0]=3 307 B7R1.4 CC1NCCC1=O Z2733314209 [1,0,0,0,1,0|1,0,0]=3 308 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,0,1,0|1,0,0]=3 309 B7R1.4 CN1CCNC1=O Z336079928 [1,0,0,0,1,0|2,0,0]=4 310 B7R1.4 CN1CNCC1=O Z1601562352 [1,0,0,0,1,0|2,0,0]=4 311 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [1,0,0,0,1,0|1,0,1]=4 312 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [1,0,0,0,1,0|1,0,1]=4 313 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,0,1,0|2,0,0]=4 314 B7R1.4 NC1CCSC1=O Z56922158 [1,0,0,0,1,0|2,0,0]=4 315 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,0,0,0,1,0|2,0,0]=4 316 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,0,0,0,1,0|2,0,0]=4 317 B7R1.4 O=C1CCCC1Cl Z104492966 [1,0,0,0,1,0|1,0,0]=3 318 B7R1.4 O=C1NCCC1F Z1203745843 [1,0,0,0,1,0|2,0,0]=4 319 B9R0.42 CCC(C)NC(=O)C(C)N Z271752262 [0,0,1,0,0,1|1,0,1]=4 320 B9R0.42 CNC(=O)NC(=O)C(C)Cl Z56912099 [0,0,1,0,0,1|2,0,0]=4 321 B9R0.42 COC(=O)NC(=O)C(C)Cl Z104341154 [0,0,1,0,0,1|2,0,0]=4 322 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [1,0,0,0,0,1|1,0,1]=4 323 B9R1.48 CC1CNCCS(=O)C1 Z1868316786 [1,0,0,0,0,1|1,0,1]=4 324 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [1,0,0,0,0,1|1,0,0]=3 325 B9R1.48 CN1CCCNC(=O)C1 Z1031052044 [1,0,0,0,0,1|1,0,1]=4