0 B5R0.1 C(CN)C(=O)N ACT05141 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(CN)C(=O)O ACT04890 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(=CC#N)N ACT07325 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(=CCS)C ACT06408 [0,0,0,0,0,0|0,1,0]=1 4 B5R0.1 CC(C)CCS ACT06430 [0,0,0,0,0,0|0,1,2]=3 5 B5R0.1 CCSC(=O)C ACT06390 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C(=O)(N)NO ACT02611 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 C(=O)C(=O)O ACT06826 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 C(C(=N)N)N ACT10088 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C(C(=O)Br)Br ACT03212 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 C(C(=O)O)Br ACT01771 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 CC(=C)CBr ACT08856 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.1 CC(=N)OC ACT09196 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 CC(=O)C#C ACT08607 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 CC(=O)CCl ACT09266 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(=O)SC ACT06385 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(C)CS ACT06243 [1,0,0,0,0,0|0,1,1]=3 17 B4R0.1 CC=C(C)Br ACT12017 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 C[C@@H](CN)N ACT04807 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C[C@H](CN)N ACT06789 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.2 C#CCCO ACT08938 [1,0,0,0,0,0|0,0,3]=4 21 B4R0.2 C=CCCBr ACT03064 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.2 CC#CCBr ACT08918 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.2 CC#CCO ACT02835 [1,0,0,0,0,0|0,0,2]=3 24 B4R0.2 CCCCS ACT06241 [1,0,0,0,0,0|0,1,2]=4 25 B4R0.2 CCCSC ACT06183 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 CCSCC ACT06138 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 CSCCO ACT06338 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.1 CCCC(=O)SC ACT06405 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CCOC(=O)CBr ACT01957 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CCOC(=O)CN ACT03311 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.1 COC(=O)CCN ACT07866 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.2 CC(C)NC(C)C ACT04717 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.2 CC(C)SC(C)C ACT06148 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.3 C(C(=O)C(=O)O)Br ACT09279 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.3 C(C(C(=O)O)N)O ACT07798 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 CC(C)[C@@H](CO)N ACT04154 [0,1,0,0,0,0|0,0,2]=3 40 B6R0.3 CC(C)[C@H](CO)N ACT05171 [0,1,0,0,0,0|0,0,2]=3 41 B6R0.3 CCC(=O)N(C)C ACT06844 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 CCC(C(=O)C)S ACT06317 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 CN(C)C(=O)C=C ACT05674 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.3 CN(C)C(=O)CCl ACT03938 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 C[C@@H]([C@H](CO)N)O ACT04169 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 C[C@H]([C@@H](CO)N)O ACT04168 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.3 C[C@H]([C@@H](CO)N)O ACT10787 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.4 CC(=O)CCCO ACT07203 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.4 CC(=O)NCCCl ACT10150 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.4 CCCSC(=O)C ACT06394 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.5 CC(C)(C)CCO ACT02969 [0,1,0,0,0,0|0,0,2]=3 53 B6R0.5 C[Si](C)(C)CCO ACT02730 [0,1,0,0,0,0|0,1,1]=3 54 B6R1.2 C1COC[C@@H]1O ACT10453 [0,0,0,1,0,0|1,0,2]=4 55 B6R1.2 C1COC[C@H]1N ACT06806 [0,0,0,1,0,0|1,0,2]=4 56 B6R1.2 C1COC[C@H]1O ACT05256 [0,0,0,1,0,0|1,0,2]=4 57 B6R1.2 C[C@@H]1CCNC1 ACT09361 [0,0,0,1,0,0|1,0,2]=4 58 B6R1.2 C[C@H]1CCCN1 ACT06587 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.2 C[C@H]1CCNC1 ACT11957 [0,0,0,1,0,0|1,0,2]=4 60 B6R1.2 Cc1c[nH]nc1 ACT08853 [0,0,0,1,0,0|2,0,1]=4 61 B6R1.2 Cc1cc[nH]c1 ACT05027 [0,0,0,1,0,0|1,0,2]=4 62 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.5 CN1CC(C1)N ACT10720 [0,0,0,1,0,0|2,0,1]=4 65 B3R0.1 C(CCl)O ACT07200 [2,0,0,0,0,0|1,0,1]=4 66 B3R0.1 C(CF)O ACT09629 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.1 C=CCS ACT06237 [2,0,0,0,0,0|0,1,0]=3 68 B3R0.1 CCCS ACT06229 [2,0,0,0,0,0|0,1,1]=4 69 B3R0.1 CCSC ACT06182 [2,0,0,0,0,0|1,0,1]=4 70 B3R0.1 CSSC ACT06113 [2,0,0,0,0,0|2,0,0]=4 71 B3R0.2 CC(=O)Br ACT03135 [2,0,0,0,0,0|1,0,1]=4 72 B3R0.2 CC(=O)[S-] ACT05622 [2,0,0,0,0,0|1,0,1]=4 73 B3R0.2 CC(C)S ACT06230 [2,0,0,0,0,0|0,1,1]=4 74 B3R0.2 CC(C)[CH2-] ACT07636 [2,0,0,0,0,0|0,0,2]=4 75 B3R0.2 CP(C)C ACT08935 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.3 C(C(CO)O)N ACT05643 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.3 C([C@H](CCl)O)O ACT05632 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.3 CC(CCl)CBr ACT04986 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.3 COC(=O)CBr ACT01939 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.3 COC(=O)CN ACT08376 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.4 CC(C)(C)CBr ACT09941 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.4 CC(C)(C)CO ACT08906 [1,1,0,0,0,0|0,0,1]=3 83 B5R0.4 CC(CO)(F)F ACT02888 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.4 C[Si](C)(C)C=C ACT10207 [1,1,0,0,0,0|0,1,1]=4 85 B5R0.4 C[Si](C)(C)CBr ACT09165 [1,1,0,0,0,0|1,1,0]=4 86 B5R0.4 C[Si](C)(C)CCl ACT08903 [1,1,0,0,0,0|1,1,0]=4 87 B5R0.4 C[Si](C)(C)CI ACT09709 [1,1,0,0,0,0|1,1,0]=4 88 B5R0.4 C[Si](C)(C)CN ACT09163 [1,1,0,0,0,0|1,1,0]=4 89 B5R0.4 C[Si](C)(C)CO ACT09537 [1,1,0,0,0,0|0,1,0]=3 90 B5R0.5 CC(=O)C(=O)C ACT06100 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.5 CC(C(=O)C)O ACT06054 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.5 CC(C(=O)C)S ACT06274 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.5 CC(C(=O)O)Br ACT01974 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.5 CC(C(=O)O)N ACT07794 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.5 CC(C(C)S)O ACT06277 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.5 CC(C)C(=O)Cl ACT05625 [1,1,0,0,0,0|0,0,2]=4 97 B5R0.5 C[C@H](C(=O)O)N ACT07928 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.2 C(CCO)CN ACT08231 [1,1,0,0,0,0|0,0,2]=4 99 B5R0.2 C(\C=C/CCl)Cl ACT03396 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.2 C(\C=C/CCl)Cl ACT03396 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.2 C(\C=C\CBr)Br ACT03298 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.2 C(\C=C\CCl)Cl ACT12010 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.2 C(\C=C\CCl)O ACT12012 [1,1,0,0,0,0|0,0,0]=2 104 B5R0.2 C=CCCCO ACT03061 [1,1,0,0,0,0|0,0,2]=4 105 B5R0.2 CSCCCO ACT06341 [1,1,0,0,0,0|0,0,2]=4 106 B7R0.2 CC(C)C[C@@H](CO)N ACT04160 [0,2,0,0,0,0|0,0,2]=4 107 B7R0.2 CC(C)C[C@H](CO)N ACT04161 [0,2,0,0,0,0|0,0,2]=4 108 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [0,2,0,0,0,0|1,0,1]=4 109 B7R0.10 CC[C@H](C)[C@@H](CO)N ACT04158 [0,2,0,0,0,0|0,0,2]=4 110 B7R0.10 COC(=O)C(=C)CO ACT03973 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.10 COC(=O)C(CO)N ACT08359 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.14 CC(C)(C)[C@@H](CO)N ACT07359 [0,2,0,0,0,0|0,0,2]=4 115 B7R0.14 CC(C)(C)[C@H](CO)N ACT07355 [0,2,0,0,0,0|0,0,2]=4 116 B7R0.4 CC(C)CCON=O ACT05198 [0,2,0,0,0,0|0,0,2]=4 117 B7R0.6 CC(=O)NCC(=O)O ACT08307 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.6 CN(C)CCC(=O)O ACT09593 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.8 C[Si](C)(C)C#CCO ACT09812 [0,2,0,0,0,0|0,1,1]=4 120 B7R0.8 C[Si](C)(C)\C=C\CO ACT09883 [0,2,0,0,0,0|0,1,0]=3 121 B5R1.3 C1CC1CBr ACT02757 [1,0,0,1,0,0|1,0,1]=4 122 B5R1.1 C1C=CCN1 ACT12011 [1,0,0,1,0,0|1,0,0]=3 123 B5R1.1 C1CCOC1 ACT09264 [1,0,0,1,0,0|0,0,2]=4 124 B7R1.1 C1COCC1CO ACT09047 [0,1,0,1,0,0|0,0,2]=4 125 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.2 CN1CCC(C1)O ACT03466 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.2 CN1CC[C@@H](C1)O ACT05086 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.2 CN1CC[C@H](C1)O ACT05087 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.2 Cc1cc(on1)C ACT07874 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.3 C1COCCC1=O ACT01867 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.4 CC1C(=O)CCO1 ACT06568 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.4 Cc1c(cco1)S ACT06377 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.4 Cc1ccnn1C ACT04243 [0,1,0,1,0,0|1,0,1]=4