0 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.10 CCC(=O)C(C)C#N Z385381340 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.10 COC(=O)C(C)SC Z821313006 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.10 COC(=O)C(N)CO Z104479480 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.10 COC(=O)C(N)CS Z56917374 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.10 OC/C(=C(\I)/CO)/I Z2943434815 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.1 C#CC(=O)OCC Z104478880 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.1 CCC(=O)COC Z825742020 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.1 CCCC(=O)CN Z1203579017 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.1 CCCC(=O)NO Z59181937 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 CCCC(N)CC Z1642389626 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.1 CCNC(=N)NC Z1357224692 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 CCNC(=O)CN Z54747476 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.1 CCNC(=O)CO Z431952024 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.1 CCNC(C)CC Z2509351098 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CCOC(=N)CC Z3033961910 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 CCOC(=O)CN Z594038186 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.1 CCOC(=O)CO Z385458066 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 CCOC(=O)NN Z104478458 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.1 CCS(=O)CCN Z1266854910 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 CNC(=O)CCCl Z239813512 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 CNC(=O)CCN Z425449754 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.1 CNC(=O)CCO Z975909370 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.1 CNCC(=O)NC Z57981096 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.1 CNCC(=O)OC Z89264972 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.1 CONC(=O)CCl Z234816732 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.3 CC(=C(F)CN)C Z1203639272 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.3 CN(C)C(=O)CN Z54751082 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.3 CN(C)C(=O)CO Z431952018 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.3 CNC(=O)C(C)Cl Z104346638 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.3 CNC(=O)C(C)N Z105197440 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.3 CNC(=O)C(C)O Z431951884 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.3 COC(=O)C(=N)N Z1198220825 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.3 COC(=O)C(C)N Z56968898 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.3 COC(C)C(=O)C Z447898138 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.3 NNC(=O)C(=O)O Z3068042919 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.2 CC(C)N(C)C(=O)CCl Z147647322 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.2 CCC(=O)N(C)C(C)C Z280750384 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.2 CCN(C)C(=O)C(C)N Z1450265575 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.2 COC(=O)C(Br)C(C)Br Z104508924 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)F Z4353916280 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.3 CCC(C)C(=O)CC#N Z360167402 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.20 CCN(CC)C(=O)CN Z54747470 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.5 CC1=C(CCNC1)Br Z4428787505 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.5 CC1=C(CNCC1)C Z1966489842 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.5 CC1CCCCC1=O Z104477192 [0,0,0,1,0,0|1,0,1]=3 90 B8R1.5 CC1CCCNC1=O Z1013766916 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.5 CC1CNCCC1=O Z1741969235 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.5 CC1COCCC1=O Z1192338803 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.5 CC1SCCCC1=O Z1359849054 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.5 CN1CCNCC1=O Z1250100764 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.5 ClC1=C(CNCC1)Cl Z1572021773 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,0,1,0,0|1,0,1]=3 97 B8R1.5 NC1CCCNC1=O Z993991168 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.5 NN1CCCCC1=O Z976663668 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.5 O=C1CCCCC1=O Z90122041 [0,0,0,1,0,0|0,0,0]=1 100 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,0,0,1,0,0|1,0,1]=3 101 B8R1.5 O=C1NCCCC1F Z1203749514 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.11 CCC1CCCC1=O Z813018310 [0,0,0,1,0,0|1,0,1]=3 103 B8R1.11 CCC1CCNC1=O Z1203732458 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.11 CCN1CCCC1=O Z1255438420 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.11 CCN1CCNC1=O Z1179328150 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.11 CCN1N=CCC1=O Z3477438900 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.11 O=C1CCCN1CO Z56755633 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,0,0,1,0,0|1,0,1]=3 109 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.38 O=C(CCl)N1CCC1 Z57039583 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.39 CC1(CC1)C(=O)CCl Z1395264728 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.39 O=C(CCl)C1(CC1)Cl Z1198174332 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.39 O=C(CCl)C1(CC1)F Z1649763687 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.46 CCN1CC(C1=O)N Z1633398454 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,0,0,1,0,0|0,0,2]=3 120 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.83 CC1CC1C(=O)CCl Z1386913500 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,0,0,1,0,0|1,0,1]=3 127 B8R0.19 C=CC(=O)NC(=O)NC Z235362893 [0,0,0,0,0,1|1,0,2]=4 128 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [0,0,0,0,0,1|2,0,1]=4 129 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,0,0,0,0,1|2,0,0]=3 130 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,0,0,0,0,1|2,0,0]=3 131 B8R0.19 COC(=O)NC(=O)CI Z1250132865 [0,0,0,0,0,1|2,0,0]=3 132 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.1 CC(=CCN)C Z1827897919 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.2 C/C=C/OCC Z281777810 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.2 CCNOCC Z223690220 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.2 NC/C=C/CN Z2235386837 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.2 OC/C=C/CO Z237581088 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.3 C=C(CC)CN Z2238934536 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.3 CCC(=O)CC Z104476878 [2,0,0,0,0,0|0,0,0]=2 145 B5R0.3 CCC(=O)CN Z1203579016 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.3 CCC(=O)NN Z56886418 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.3 CCN(C)C=O Z1258520870 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.3 CNC(=O)CCl Z56891219 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.3 CNC(=O)CN Z57981102 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.3 CNC(=O)CO Z431952700 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.3 CNC(=O)CS Z1203730878 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.3 COC(=O)CN Z57042020 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.3 NCC(=O)CN Z1198147360 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.3 O=C(CO)CO Z1255442144 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.5 CC(=O)C(=O)O Z104495240 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.5 CC(=O)C(C)N Z1263529525 [2,0,0,0,0,0|1,0,1]=4 157 B5R0.5 O=C(O)C(=O)O Z1741978903 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.2 CC(C)NC(=O)CN Z316170536 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.2 CC(C)NC(=O)CO Z431952044 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.2 CC(C)OC(=O)CN Z1245635749 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [1,1,0,0,0,0|0,0,2]=4 162 B7R0.2 CNC(=O)CC(C)N Z1457935170 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.2 COC(=O)CC(C)N Z169856728 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.3 C#CCNC(=O)CC Z220957516 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.3 CC/C=C/C(=O)NC Z404206580 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.3 CCC(=O)NCCN Z1455674775 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|0,0,1]=3 169 B7R0.3 CCCNC(=O)CC Z33030426 [1,1,0,0,0,0|0,0,1]=3 170 B7R0.3 CCNCC(=O)NC Z55849445 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.3 CCNCC(=O)OC Z138464962 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.3 CNC(=O)CCCN Z451350656 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.3 CNC(=O)NCCO Z177090556 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.3 CNC(=O)OCCO Z1198150357 [1,1,0,0,0,0|2,0,0]=4 175 B7R0.3 CNCCC(=O)NC Z852427258 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.3 CNCCC(=O)OC Z140562916 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.3 COC(=O)NCCN Z2237317343 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.3 NCC(=O)NCCO Z401366912 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.3 O=C(CO)NCCO Z1203732626 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.5 C=C(C)C(=O)OCC Z852747724 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.5 CCNC(=O)C(C)N Z89265773 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.5 CCOC(=N)C(C)C Z1623864182 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.5 CCOC(=O)C(F)F Z361436550 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.5 COCC(=O)C(C)C Z825742022 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [1,1,0,0,0,0|0,0,1]=3 189 B7R0.7 C=C=CC(=O)OCC Z1255488905 [1,1,0,0,0,0|0,0,2]=4 190 B7R0.7 CCNC(=O)CCCl Z239813542 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.7 CCNC(=O)CCN Z1449756826 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.7 CCNC(=O)CCO Z975909368 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.7 CCNC(=O)CNC Z594038090 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.7 CCOC(=N)CSC Z4498865780 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.7 CCOC(=O)CC#N Z104473162 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.7 CCOC(=O)CNC Z1262237263 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.7 CCOC(=O)OCC Z104482516 [1,1,0,0,0,0|1,0,0]=3 198 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.15 CCN(OC)C(=O)C Z1689168852 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [1,1,0,0,0,0|1,0,0]=3 201 B7R0.16 CC(Cl)C(=O)N(C)C Z104378282 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.16 C[C@@H](N)C(=O)N(C)C Z1357774240 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.16 C[C@H](N)C(=O)N(C)C Z1562155926 [1,1,0,0,0,0|2,0,0]=4 205 B9R0.27 CCC(=O)C(C)C(=O)OC Z839827744 [0,1,0,0,0,1|1,0,0]=3 206 B9R0.27 COC(=O)C(F)C(=O)OC Z99599894 [0,1,0,0,0,1|2,0,0]=4 207 B9R0.34 CCNC(=O)NC(=O)CCl Z56910355 [0,1,0,0,0,1|1,0,0]=3 208 B9R0.34 CCOC(=O)CC(=O)NN Z56899139 [0,1,0,0,0,1|2,0,0]=4 209 B9R0.34 CC[C@@H](C)NC(=O)CCN Z2939404203 [0,1,0,0,0,1|1,0,1]=4 210 B9R0.34 CNC(=O)NC(=O)CCCl Z108154224 [0,1,0,0,0,1|1,0,0]=3 211 B9R0.34 COCC(=O)CC(=O)OC Z104495598 [0,1,0,0,0,1|1,0,0]=3 212 B9R0.42 CCC(C)NC(=O)C(C)N Z271752262 [0,1,0,0,0,1|1,0,1]=4 213 B9R0.42 CNC(=O)NC(=O)C(C)Cl Z56912099 [0,1,0,0,0,1|1,0,0]=3 214 B9R0.42 COC(=O)NC(=O)C(C)Cl Z104341154 [0,1,0,0,0,1|1,0,0]=3 215 B9R0.6 CCOC(=O)C(=C(C)C)F Z1424782014 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.6 CCOC(=O)C(N)C(C)C Z1511495073 [0,2,0,0,0,0|1,0,1]=4 217 B9R0.29 CCC(C(=O)O)C(=O)OC Z1205494591 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.41 CCN(CC)C(=O)C(C)N Z406679954 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.8 CCN(C)C(=O)OCCN Z3899878398 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.19 CCOC(=O)C(C)(O)CC Z965048274 [0,2,0,0,0,0|0,0,2]=4 221 B9R0.23 CC(C)NC(=O)C(=O)NN Z90666851 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.23 CCC(=O)C(C)CC(C)C Z1138187020 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.23 CCC(N)C(=O)OC(C)C Z3318668164 [0,2,0,0,0,0|1,0,1]=4 224 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,2,0,0,0,0|1,0,0]=3 225 B9R0.35 CCOC(=O)C(=O)OCC Z104473164 [0,2,0,0,0,0|0,0,0]=2 226 B9R0.35 CCOC(=O)N(C)CCO Z371625298 [0,2,0,0,0,0|2,0,0]=4 227 B9R0.37 CCN(CC)C(=O)CCN Z1449750808 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.37 CCN(CC)C(=O)CNC Z56347540 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.37 CCOC(=O)C(C#N)CC Z878447228 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.37 CCOC(=O)C(CC)CC Z425641124 [0,2,0,0,0,0|1,0,1]=4 231 B9R0.37 CCSC(=O)N(CC)CC Z1198149397 [0,2,0,0,0,0|2,0,0]=4 232 B7R1.2 CC1CC(=O)CN1 Z1509349081 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|1,0,0]=3 235 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,1,0,0|1,0,1]=4 239 B7R1.2 CN1CCC(=O)N1 Z1618125551 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [1,0,0,1,0,0|1,0,1]=4 241 B7R1.3 CC1=CCCNC1 Z2143573194 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.3 FC1=CCCNC1 Z1570657372 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.3 NC1=NCCCC1 Z1723418848 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.3 O=C1C=CCCC1 Z295197140 [1,0,0,1,0,0|0,0,1]=3 245 B7R1.3 O=C1C=CCCO1 Z1255402681 [1,0,0,1,0,0|1,0,1]=4 246 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|0,0,1]=3 247 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.3 O=C1CCCCS1 Z1726147018 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.3 O=C1CCCNC1 Z3063726909 [1,0,0,1,0,0|1,0,1]=4 251 B7R1.3 O=C1CCCNN1 Z1416174508 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.3 O=C1CCCSC1 Z979714552 [1,0,0,1,0,0|1,0,1]=4 253 B7R1.3 O=C1CCNCC1 Z1741959513 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.3 O=C1CNCCN1 Z56968535 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.3 O=C1CSCCN1 Z337709368 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.3 O=C1NCCCN1 Z1203730774 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.3 O=C1NCCCO1 Z1198312172 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|0,0,1]=3 259 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|1,0,0]=3 260 B7R1.4 CC1NCCC1=O Z2733314209 [1,0,0,1,0,0|1,0,1]=4 261 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.4 CN1CCNC1=O Z336079928 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.4 NC1CCSC1=O Z56922158 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.4 O=C1CCCC1Cl Z104492966 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.4 O=C1NCCC1F Z1203745843 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.22 CNC(=O)C1CC1 Z32016401 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.22 O=C(CO)C1CC1 Z1172087188 [1,0,0,1,0,0|1,0,1]=4 272 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|1,0,1]=4 273 B7R1.17 CC1(CCC1=O)C Z1416192672 [1,0,0,1,0,0|1,0,1]=4 274 B7R1.19 CC(=O)C1(CC1)C Z56969338 [1,0,0,1,0,0|1,0,1]=4 275 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [1,0,0,1,0,0|1,0,1]=4 276 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,0,0,1,0,1|0,0,2]=4 277 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,0,0,1,0,1|1,0,1]=4 278 B9R1.21 CCC1=CC(=NN1)CC Z1404540653 [0,0,0,1,0,1|2,0,0]=4 279 B9R1.21 CCC1=NNC(=N1)CC Z802557220 [0,0,0,1,0,1|2,0,0]=4 280 B9R1.23 CCC1=NN(C(=O)C1)C Z50146895 [0,0,0,1,0,1|2,0,0]=4 281 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,0,0,1,0,1|1,0,1]=4 282 B9R1.37 CC1=C(C(=O)NC1=O)C Z1117886924 [0,0,0,1,0,1|0,0,2]=4 283 B9R1.37 CC1C(=O)NC(=O)C1C Z1255493920 [0,0,0,1,0,1|0,0,0]=2 284 B9R1.37 CC1C(=O)NC(=O)N1C Z993897304 [0,0,0,1,0,1|1,0,0]=3 285 B9R1.37 CC1NC(=O)C(C1C)C Z1509031333 [0,0,0,1,0,1|1,0,1]=4 286 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [0,0,0,1,0,1|0,0,0]=2 287 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [0,0,0,1,0,1|1,0,0]=3 288 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,0,0,1,0,1|1,0,1]=4 289 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,0,0,1,0,1|1,0,1]=4 290 B9R1.69 CC1CNC(=O)NC1=O Z55928832 [0,0,0,1,0,1|1,0,0]=3 291 B9R1.69 CN1CCC(=NC1=O)N Z2289798132 [0,0,0,1,0,1|2,0,0]=4 292 B9R1.69 CN1CCC(=O)NC1=O Z852405042 [0,0,0,1,0,1|1,0,0]=3 293 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,0,0,1,0,1|1,0,0]=3 294 B9R1.69 O=C1NCC(C(=O)N1)Br Z119984126 [0,0,0,1,0,1|2,0,0]=4 295 B9R1.79 COC(=O)C=C1CCC1 Z1255439803 [0,0,0,1,0,1|2,0,0]=4 296 B9R1.3 CC1=C(C(CCC1)N)C Z3814443111 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.3 CC1CNCC(=O)N1C Z3064472006 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.3 CC1NCCN(C1=O)C Z1742055046 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.3 CN1CCCC(C1=O)N Z1203581592 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.3 CN1CCNC(=O)C1=O Z1037603248 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Z4513729412 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.41 CC(C)C1CCCC1=O Z993018308 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.110 CC(Cl)C(=O)N1CCC1 Z381358542 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.132 CCC1=C(C(=O)NC1)C Z1203731042 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.132 CN1C(=O)CCC1CO Z1255502015 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.132 CNC1CCN(C1=O)C Z2044707009 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.138 CC1(CCC(C1=O)Cl)C Z1350877025 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.185 CCC(=O)C1CC1(C)C Z1198323211 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.5 CN1CCCNCC1=O Z1198179782 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.5 NC1CCCCNC1=O Z281895050 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.11 CCC(=O)C1CCOC1 Z1138843357 [0,1,0,1,0,0|0,0,2]=4 320 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.15 CCC1CCCNC1=O Z1203731521 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.15 CCC1NCCNC1=O Z57663834 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.15 CCN1CCCNC1=O Z1203733831 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.15 CCN1CCNCC1=O Z975809904 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.15 CSC1CCCCC1=O Z732208578 [0,1,0,1,0,0|0,1,1]=4 326 B9R1.15 N#CC1=C(CCCC1)Cl Z1251189979 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.15 N#CC1=C(CCCC1)N Z826654472 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.15 N#CC1CCCCC1=O Z1137167009 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.22 CCN1CC(CC1=O)N Z2235810233 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.22 CCN1N=C(CC1=O)C Z277112236 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.33 O=C1CCCC1CCF Z1416228589 [0,1,0,1,0,0|1,0,1]=4 332 B9R1.33 O=C1CCCN1CCO Z104478410 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.73 CCNC(=O)N1CCC1 Z56326478 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.74 CCNC(=O)C1(CC1)N Z1457935649 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.183 CCOC(=O)[C@@H]1O[C@H]1C Z4066615591 [0,1,0,1,0,0|0,0,2]=4 336 B9R1.183 CCOC(=O)[C@H]1O[C@H]1C Z1201618591 [0,1,0,1,0,0|0,0,2]=4 337 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.27 CCN1C(=O)CNC1=O Z54530685 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.27 O=C1CCC(=O)N1CO Z336080046 [0,1,0,1,0,0|2,0,0]=4 340 B9R2.140 O=C1CCC12CCC2 Z1198313571 [0,0,0,2,0,0|1,0,1]=4 341 B9R2.40 CC12CCC(=O)C1O2 Z1513595022 [0,0,0,2,0,0|0,0,2]=4 342 B9R0.24 CNC(=O)CNC(=O)CCl Z147651804 [0,0,0,0,0,2|2,0,0]=4 343 B9R0.24 COC(=O)/C=C/C(=O)OC Z49500377 [0,0,0,0,0,2|2,0,0]=4 344 B9R0.24 COC(=O)C#CC(=O)OC Z104473200 [0,0,0,0,0,2|2,0,0]=4 345 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [0,0,0,0,0,2|2,0,0]=4 346 B9R0.24 COC(=O)CNC(=O)CCl Z56867315 [0,0,0,0,0,2|2,0,0]=4