0 B4R0.2 C#CCCN Molport-004-968-587 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.2 C#CCCO Molport-000-152-662 [0,0,0,0,0,0|0,1,2]=3 2 B4R0.2 C/C=C/C#N Molport-001-784-288 [0,0,0,0,0,0|1,0,3]=4 3 B4R0.2 C/C=C/CO Molport-001-759-965 [0,0,0,0,0,0|0,1,2]=3 4 B4R0.2 C=CCC#N Molport-001-779-791 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.2 C=CCCN Molport-003-937-643 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.2 C=COCC Molport-000-141-310 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 C=NCC#N Molport-001-779-739 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 CCCC#N Molport-001-770-811 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.2 CCCCBr Molport-000-875-340 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.2 CCCCI Molport-001-768-334 [0,0,0,0,0,0|1,0,0]=1 11 B4R0.2 CCCCN Molport-001-788-476 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.2 CCCNC Molport-001-791-508 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.2 CCCNN Molport-006-701-876 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.2 CCCON Molport-009-195-312 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.2 CCN=C=O Molport-001-732-518 [0,0,0,0,0,0|1,1,1]=3 16 B4R0.2 CCN=C=S Molport-000-872-053 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.2 CCOC=O Molport-001-766-723 [0,0,0,0,0,0|1,1,1]=3 18 B4R0.2 CNCCCl Molport-020-167-804 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.2 CNCCI Molport-006-841-201 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.2 COCC#N Molport-001-768-878 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.2 COCCBr Molport-000-151-998 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.2 COCCN Molport-001-787-261 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.2 COCCO Molport-001-793-100 [0,0,0,0,0,0|1,1,0]=2 24 B4R0.2 COCOC Molport-003-934-233 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.2 COCON Molport-029-823-220 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.2 CSCC#N Molport-003-926-935 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.2 CSCCN Molport-000-144-203 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.2 ClCCCBr Molport-001-783-421 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.2 N#CCC#N Molport-000-872-051 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.2 N#CCCBr Molport-001-790-603 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.2 N#CCCCl Molport-001-787-315 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.2 N#CCCO Molport-001-767-916 [0,0,0,0,0,0|1,1,1]=3 33 B4R0.2 N#CCCS Molport-006-112-773 [0,0,0,0,0,0|1,0,1]=2 34 B4R0.2 N#CCNO Molport-006-309-688 [0,0,0,0,0,0|2,1,1]=4 35 B4R0.2 N#CCON Molport-027-631-770 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.2 N#CSCCl Molport-003-925-798 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.2 NCCCBr Molport-003-925-632 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.2 NCCCCl Molport-001-759-788 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.2 NCCCCl Molport-001-792-701 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.2 NCCCN Molport-000-871-983 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.2 NCCCS Molport-019-922-324 [0,0,0,0,0,0|1,0,0]=1 42 B4R0.2 NNCCO Molport-000-003-956 [0,0,0,0,0,0|2,1,0]=3 43 B4R0.2 NOCCO Molport-008-600-593 [0,0,0,0,0,0|2,1,0]=3 44 B4R0.2 NOCON Molport-049-243-131 [0,0,0,0,0,0|4,0,0]=4 45 B4R0.2 O=CCCO Molport-006-114-002 [0,0,0,0,0,0|1,1,1]=3 46 B4R0.2 OCCCCl Molport-001-756-377 [0,0,0,0,0,0|1,1,0]=2 47 B4R0.2 SCCCS Molport-003-939-167 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.2 [NH3+]OCO[NH3+] Molport-000-917-512 [0,0,0,0,0,0|4,0,0]=4 49 B3R0.1 C#CCBr Molport-001-757-234 [1,0,0,0,0,0|1,0,2]=4 50 B3R0.1 C#CCN Molport-001-785-530 [1,0,0,0,0,0|1,0,2]=4 51 B3R0.1 C#CCO Molport-001-785-544 [1,0,0,0,0,0|0,1,2]=4 52 B3R0.1 C=CCBr Molport-001-779-705 [1,0,0,0,0,0|1,0,2]=4 53 B3R0.1 C=CCCl Molport-001-767-892 [1,0,0,0,0,0|1,0,2]=4 54 B3R0.1 C=CCN Molport-001-779-877 [1,0,0,0,0,0|1,0,2]=4 55 B3R0.1 CCC#N Molport-001-785-582 [1,0,0,0,0,0|1,0,1]=3 56 B3R0.1 CCC=O Molport-001-769-727 [1,0,0,0,0,0|0,1,1]=3 57 B3R0.1 CCCBr Molport-000-872-093 [1,0,0,0,0,0|1,0,0]=2 58 B3R0.1 CCCI Molport-001-768-401 [1,0,0,0,0,0|1,0,0]=2 59 B3R0.1 CCCS Molport-001-782-697 [1,0,0,0,0,0|0,0,0]=1 60 B3R0.1 CCNC Molport-001-787-402 [1,0,0,0,0,0|1,0,0]=2 61 B3R0.1 CN=C=S Molport-000-872-008 [1,0,0,0,0,0|1,0,2]=4 62 B3R0.1 CNC=O Molport-003-934-095 [1,0,0,0,0,0|1,1,1]=4 63 B3R0.1 CNOC Molport-002-051-971 [1,0,0,0,0,0|2,0,0]=3 64 B3R0.1 COC=O Molport-003-925-521 [1,0,0,0,0,0|1,1,1]=4 65 B3R0.1 CSSC Molport-003-929-787 [1,0,0,0,0,0|2,0,0]=3 66 B3R0.1 ClCCBr Molport-003-927-012 [1,0,0,0,0,0|2,0,0]=3 67 B3R0.1 N#CCBr Molport-000-151-715 [1,0,0,0,0,0|2,0,1]=4 68 B3R0.1 N#CCCl Molport-000-152-696 [1,0,0,0,0,0|2,0,1]=4 69 B3R0.1 N#CCN Molport-001-793-987 [1,0,0,0,0,0|2,0,1]=4 70 B3R0.1 N#CCN Molport-003-894-737 [1,0,0,0,0,0|2,0,1]=4 71 B3R0.1 NCCBr Molport-001-759-150 [1,0,0,0,0,0|2,0,0]=3 72 B3R0.1 NCCBr Molport-036-379-908 [1,0,0,0,0,0|2,0,0]=3 73 B3R0.1 NCCCl Molport-001-756-383 [1,0,0,0,0,0|2,0,0]=3 74 B3R0.1 NCCCl Molport-001-786-398 [1,0,0,0,0,0|2,0,0]=3 75 B3R0.1 NCCN Molport-001-783-384 [1,0,0,0,0,0|2,0,0]=3 76 B3R0.1 O=CCCl Molport-001-768-825 [1,0,0,0,0,0|1,1,1]=4 77 B3R0.1 OCCBr Molport-001-779-800 [1,0,0,0,0,0|1,1,0]=3 78 B3R0.1 OCCF Molport-001-771-679 [1,0,0,0,0,0|1,1,0]=3 79 B3R0.1 OCCI Molport-001-789-445 [1,0,0,0,0,0|1,1,0]=3 80 B3R0.1 OCCS Molport-003-938-002 [1,0,0,0,0,0|1,0,0]=2 81 B3R0.1 SCCS Molport-001-781-684 [1,0,0,0,0,0|1,0,0]=2 82 B3R0.1 [O-]CC[O-] Molport-003-899-211 [1,0,0,0,0,0|1,1,0]=3 83 B5R0.1 C=C(C)CCO Molport-003-926-226 [0,1,0,0,0,0|0,1,1]=3 84 B5R0.1 C=C(C)CNN Molport-000-871-560 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.1 CC(=CCBr)C Molport-001-791-956 [0,1,0,0,0,0|1,0,2]=4 86 B5R0.1 CC(=O)CC#N Molport-016-637-915 [0,1,0,0,0,0|1,0,2]=4 87 B5R0.1 CC(=O)CCN Molport-016-899-706 [0,1,0,0,0,0|1,0,1]=3 88 B5R0.1 CC(C)/C=N/O Molport-000-139-603 [0,1,0,0,0,0|1,1,1]=4 89 B5R0.1 CC(C)C=NO Molport-003-909-959 [0,1,0,0,0,0|1,1,1]=4 90 B5R0.1 CC(C)CC=O Molport-001-787-528 [0,1,0,0,0,0|0,1,1]=3 91 B5R0.1 CC(C)CCBr Molport-000-875-341 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.1 CC(C)CCCl Molport-001-783-738 [0,1,0,0,0,0|1,0,0]=2 93 B5R0.1 CC(C)CCI Molport-001-770-162 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.1 CC(C)CCN Molport-003-927-223 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.1 CC(C)CCO Molport-001-793-103 [0,1,0,0,0,0|0,1,0]=2 96 B5R0.1 CC(C)N=C=O Molport-001-732-437 [0,1,0,0,0,0|1,1,1]=4 97 B5R0.1 CC(O)CCO Molport-003-927-418 [0,1,0,0,0,0|0,1,0]=2 98 B5R0.1 CC(O)CNN Molport-006-192-132 [0,1,0,0,0,0|2,0,0]=3 99 B5R0.1 CCCC(=O)C Molport-001-783-786 [0,1,0,0,0,0|0,1,1]=3 100 B5R0.1 CCCC(=O)Cl Molport-000-871-699 [0,1,0,0,0,0|0,1,1]=3 101 B5R0.1 CCCC(=O)O Molport-001-769-669 [0,1,0,0,0,0|0,1,1]=3 102 B5R0.1 CCC[C@H](C)N Molport-039-014-155 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.1 CCC[N+](=O)[O-] Molport-003-938-817 [0,1,0,0,0,0|1,1,0]=3 104 B5R0.1 CCNC(=O)N Molport-001-790-642 [0,1,0,0,0,0|1,1,1]=4 105 B5R0.1 CCOC(=N)C Molport-003-925-073 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.1 CCOC(=O)Cl Molport-000-872-022 [0,1,0,0,0,0|1,1,1]=4 107 B5R0.1 CCOC(=S)[S-] Molport-002-318-476 [0,1,0,0,0,0|1,0,2]=4 108 B5R0.1 CN(C)CC#N Molport-003-928-186 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.1 CN(C)CCN Molport-001-769-719 [0,1,0,0,0,0|2,0,0]=3 110 B5R0.1 CNCC(=O)N Molport-001-791-882 [0,1,0,0,0,0|1,1,1]=4 111 B5R0.1 CNCC(=O)N Molport-009-765-559 [0,1,0,0,0,0|1,1,1]=4 112 B5R0.1 CNCC(=O)O Molport-006-112-192 [0,1,0,0,0,0|1,1,1]=4 113 B5R0.1 CNCC(C)F Molport-042-670-111 [0,1,0,0,0,0|2,0,0]=3 114 B5R0.1 CNCC(C)O Molport-004-285-746 [0,1,0,0,0,0|1,1,0]=3 115 B5R0.1 COCC(=O)Cl Molport-001-794-226 [0,1,0,0,0,0|1,1,1]=4 116 B5R0.1 COCC(=O)N Molport-003-909-731 [0,1,0,0,0,0|1,1,1]=4 117 B5R0.1 COCC(=S)N Molport-004-339-486 [0,1,0,0,0,0|1,0,2]=4 118 B5R0.1 COCC(C)O Molport-001-793-107 [0,1,0,0,0,0|1,1,0]=3 119 B5R0.1 CSCC(=N)N Molport-000-004-630 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.1 NC(=O)CCBr Molport-001-794-093 [0,1,0,0,0,0|1,1,1]=4 121 B5R0.1 NC(=O)CCCl Molport-001-765-331 [0,1,0,0,0,0|1,1,1]=4 122 B5R0.1 NCCC(F)F Molport-016-636-195 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.1 O=C(Cl)CCBr Molport-001-792-852 [0,1,0,0,0,0|1,1,1]=4 124 B5R0.1 O=C(Cl)CCCl Molport-001-759-829 [0,1,0,0,0,0|1,1,1]=4 125 B5R0.1 O=C(O)CCBr Molport-000-152-389 [0,1,0,0,0,0|1,1,1]=4 126 B5R0.1 O=C(O)CCCl Molport-000-871-656 [0,1,0,0,0,0|1,1,1]=4 127 B5R0.1 O=C(O)CCO Molport-000-156-380 [0,1,0,0,0,0|1,1,1]=4 128 B5R0.1 O=[N+]([O-])CCO Molport-001-781-992 [0,1,0,0,0,0|2,1,0]=4 129 B5R0.2 BrCCCCBr Molport-000-153-861 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.2 C#CCCNC Molport-046-425-329 [0,1,0,0,0,0|1,0,1]=3 131 B5R0.2 C=CCCCN Molport-006-390-492 [0,1,0,0,0,0|1,0,1]=3 132 B5R0.2 C=CCCCN Molport-027-835-800 [0,1,0,0,0,0|1,0,1]=3 133 B5R0.2 C=CCCNC Molport-044-554-395 [0,1,0,0,0,0|1,0,1]=3 134 B5R0.2 C=CCNCC Molport-000-005-271 [0,1,0,0,0,0|1,0,1]=3 135 B5R0.2 C=CCNCC Molport-016-634-341 [0,1,0,0,0,0|1,0,1]=3 136 B5R0.2 CC#CCCN Molport-027-845-750 [0,1,0,0,0,0|1,0,1]=3 137 B5R0.2 CC/C=C\CO Molport-000-150-381 [0,1,0,0,0,0|0,1,1]=3 138 B5R0.2 CCCCC=O Molport-001-768-920 [0,1,0,0,0,0|0,1,0]=2 139 B5R0.2 CCCCCBr Molport-001-768-933 [0,1,0,0,0,0|1,0,0]=2 140 B5R0.2 CCCCCC Molport-016-899-216 [0,1,0,0,0,0|1,0,0]=2 141 B5R0.2 CCCCCI Molport-001-783-755 [0,1,0,0,0,0|1,0,0]=2 142 B5R0.2 CCCCCN Molport-001-759-278 [0,1,0,0,0,0|1,0,0]=2 143 B5R0.2 CCCCNC Molport-001-787-403 [0,1,0,0,0,0|1,0,0]=2 144 B5R0.2 CCCN=C=O Molport-001-732-519 [0,1,0,0,0,0|0,1,1]=3 145 B5R0.2 CCNCCCl Molport-039-028-247 [0,1,0,0,0,0|1,0,0]=2 146 B5R0.2 CCNCCO Molport-001-791-880 [0,1,0,0,0,0|0,1,0]=2 147 B5R0.2 CCOCCBr Molport-000-151-989 [0,1,0,0,0,0|1,0,0]=2 148 B5R0.2 CCSCC#N Molport-004-372-802 [0,1,0,0,0,0|1,0,1]=3 149 B5R0.2 CCSCCO Molport-000-155-261 [0,1,0,0,0,0|0,1,0]=2 150 B5R0.2 CNCCC#N Molport-001-791-512 [0,1,0,0,0,0|1,0,1]=3 151 B5R0.2 CNCCCN Molport-000-004-740 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.2 CNCCNC Molport-046-852-851 [0,1,0,0,0,0|2,0,0]=3 153 B5R0.2 CNCCOC Molport-003-993-522 [0,1,0,0,0,0|1,1,0]=3 154 B5R0.2 CNCCSC Molport-011-940-627 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.2 COCCC#N Molport-000-183-599 [0,1,0,0,0,0|1,0,1]=3 156 B5R0.2 COCCCN Molport-001-794-234 [0,1,0,0,0,0|1,0,0]=2 157 B5R0.2 COCCCO Molport-001-756-376 [0,1,0,0,0,0|0,1,0]=2 158 B5R0.2 COCCOC Molport-003-928-695 [0,1,0,0,0,0|1,1,0]=3 159 B5R0.2 COCCON Molport-008-604-171 [0,1,0,0,0,0|1,1,0]=3 160 B5R0.2 COCN=C=O Molport-004-336-498 [0,1,0,0,0,0|1,1,1]=4 161 B5R0.2 N#CCCC=O Molport-001-794-668 [0,1,0,0,0,0|0,1,2]=4 162 B5R0.2 N#CCCCCl Molport-001-757-196 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.2 N#CCCCO Molport-003-918-670 [0,1,0,0,0,0|0,1,1]=3 164 B5R0.2 NCC#CCN Molport-028-949-507 [0,1,0,0,0,0|1,0,2]=4 165 B5R0.2 NCC#CCO Molport-023-198-595 [0,1,0,0,0,0|0,1,2]=4 166 B5R0.2 NCCCCN Molport-001-781-809 [0,1,0,0,0,0|1,0,0]=2 167 B5R0.2 NCCCCS Molport-028-956-912 [0,1,0,0,0,0|0,0,0]=1 168 B5R0.2 NOCCON Molport-046-837-250 [0,1,0,0,0,0|2,1,0]=4 169 B5R0.2 O=C=NCCCl Molport-001-732-448 [0,1,0,0,0,0|1,1,1]=4 170 B5R0.2 OCC#CCO Molport-003-927-455 [0,1,0,0,0,0|0,1,2]=4 171 B5R0.2 OCCCCCl Molport-001-757-740 [0,1,0,0,0,0|0,1,0]=2 172 B5R0.3 BrCC(Br)CBr Molport-001-779-772 [0,1,0,0,0,0|2,0,0]=3 173 B5R0.3 C#CC(C)CN Molport-046-425-880 [0,1,0,0,0,0|1,0,2]=4 174 B5R0.3 C=CC(O)CBr Molport-035-775-534 [0,1,0,0,0,0|1,0,2]=4 175 B5R0.3 C=CC(O)CC Molport-001-792-065 [0,1,0,0,0,0|1,0,1]=3 176 B5R0.3 C=CC(O)CN Molport-000-001-157 [0,1,0,0,0,0|1,0,2]=4 177 B5R0.3 CC/C(=N/O)/N Molport-000-003-970 [0,1,0,0,0,0|1,1,1]=4 178 B5R0.3 CCC(=O)CC Molport-001-770-065 [0,1,0,0,0,0|1,0,1]=3 179 B5R0.3 CCC(=O)CN Molport-023-152-874 [0,1,0,0,0,0|1,0,1]=3 180 B5R0.3 CCC(=O)NN Molport-000-161-644 [0,1,0,0,0,0|2,0,1]=4 181 B5R0.3 CCC(=O)NO Molport-004-345-454 [0,1,0,0,0,0|1,1,1]=4 182 B5R0.3 CCC(=O)OC Molport-003-925-859 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.3 CCC(C)CO Molport-001-783-235 [0,1,0,0,0,0|0,1,0]=2 184 B5R0.3 CCC(N)CC Molport-001-759-279 [0,1,0,0,0,0|1,0,0]=2 185 B5R0.3 CCC(N)CC Molport-004-443-422 [0,1,0,0,0,0|1,0,0]=2 186 B5R0.3 CCC(N)CO Molport-003-925-553 [0,1,0,0,0,0|0,1,0]=2 187 B5R0.3 CC[C@@H](O)CN Molport-000-001-215 [0,1,0,0,0,0|1,0,0]=2 188 B5R0.3 CNC(=O)CBr Molport-002-786-313 [0,1,0,0,0,0|2,0,1]=4 189 B5R0.3 CNC(=O)CCl Molport-000-679-703 [0,1,0,0,0,0|2,0,1]=4 190 B5R0.3 CNC(=O)CS Molport-003-938-573 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.3 CNC(C)CO Molport-009-200-591 [0,1,0,0,0,0|1,1,0]=3 192 B5R0.3 COC(=O)CBr Molport-001-791-817 [0,1,0,0,0,0|2,0,1]=4 193 B5R0.3 COC(=O)CCl Molport-000-871-801 [0,1,0,0,0,0|2,0,1]=4 194 B5R0.3 COC(=O)CI Molport-023-282-507 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.3 COC(=O)CO Molport-001-761-942 [0,1,0,0,0,0|1,1,1]=4 196 B5R0.3 COC(=O)CS Molport-003-925-847 [0,1,0,0,0,0|1,0,1]=3 197 B5R0.3 C[C@@H](CN)CO Molport-023-282-274 [0,1,0,0,0,0|1,1,0]=3 198 B5R0.3 N#CC(Br)CBr Molport-001-768-559 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.3 N#CC(Cl)CCl Molport-006-114-537 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.3 NC(CO)CO Molport-001-768-923 [0,1,0,0,0,0|1,1,0]=3 201 B5R0.3 NCC(O)CF Molport-037-963-032 [0,1,0,0,0,0|2,0,0]=3 202 B5R0.3 O=C(CCl)CCl Molport-001-766-690 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.3 O=C[C@@H](O)CO Molport-003-983-961 [0,1,0,0,0,0|1,1,1]=4 204 B5R0.3 OC(CCl)CCl Molport-001-779-733 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.3 OCC(Cl)CO Molport-006-111-471 [0,1,0,0,0,0|1,1,0]=3 206 B5R0.3 OCC(O)CCl Molport-001-779-558 [0,1,0,0,0,0|1,1,0]=3 207 B5R1.1 C1=CCCC1 Molport-001-759-289 [0,0,0,1,0,0|1,0,1]=3 208 B5R1.1 C1CCCC1 Molport-001-789-854 [0,0,0,1,0,0|1,0,0]=2 209 B5R1.1 C1CCSC1 Molport-000-158-587 [0,0,0,1,0,0|0,0,0]=1 210 B5R1.2 BrC1CCC1 Molport-001-790-365 [0,0,0,1,0,0|1,0,0]=2 211 B5R1.2 C=C1CNC1 Molport-039-203-851 [0,0,0,1,0,0|2,0,1]=4 212 B5R1.2 C[C@H]1CCN1 Molport-046-162-416 [0,0,0,1,0,0|1,0,0]=2 213 B5R1.2 NC1CCC1 Molport-003-926-919 [0,0,0,1,0,0|1,0,0]=2 214 B5R1.2 OC1CNC1 Molport-001-794-113 [0,0,0,1,0,0|1,1,0]=3 215 B5R1.2 OC1COC1 Molport-006-701-036 [0,0,0,1,0,0|1,1,0]=3 216 B5R1.2 OC1CSC1 Molport-006-119-448 [0,0,0,1,0,0|1,1,0]=3 217 B5R1.3 C#CC1CC1 Molport-000-002-503 [0,0,0,1,0,0|1,0,1]=3 218 B5R1.3 ClCC1CC1 Molport-001-791-994 [0,0,0,1,0,0|1,0,0]=2 219 B5R1.3 ClCC1CO1 Molport-001-779-799 [0,0,0,1,0,0|1,1,0]=3 220 B5R1.3 ClCC1CO1 Molport-035-869-714 [0,0,0,1,0,0|1,1,0]=3 221 B5R1.3 ClC[C@H]1CO1 Molport-000-159-810 [0,0,0,1,0,0|1,1,0]=3 222 B5R1.3 FCC1CO1 Molport-000-005-511 [0,0,0,1,0,0|1,1,0]=3 223 B5R1.3 NCC1CC1 Molport-001-760-871 [0,0,0,1,0,0|1,0,0]=2 224 B5R1.3 NCC1CC1 Molport-003-940-243 [0,0,0,1,0,0|1,0,0]=2 225 B5R1.3 O=CC1CC1 Molport-001-791-854 [0,0,0,1,0,0|0,1,1]=3 226 B5R1.3 OCC1CC1 Molport-000-145-901 [0,0,0,1,0,0|0,1,0]=2 227 B2R0.1 BrCBr Molport-001-779-708 [2,0,0,0,0,0|2,0,0]=4 228 B2R0.1 CC=O Molport-001-783-184 [2,0,0,0,0,0|0,1,1]=4 229 B2R0.1 CCBr Molport-000-872-074 [2,0,0,0,0,0|1,0,0]=3 230 B2R0.1 CCI Molport-001-783-754 [2,0,0,0,0,0|1,0,0]=3 231 B2R0.1 CCN Molport-003-925-271 [2,0,0,0,0,0|1,0,0]=3 232 B2R0.1 CCO Molport-001-785-844 [2,0,0,0,0,0|0,1,0]=3 233 B2R0.1 CNN Molport-003-920-871 [2,0,0,0,0,0|2,0,0]=4 234 B2R0.1 CNO Molport-002-475-845 [2,0,0,0,0,0|1,1,0]=4 235 B2R0.1 CSC Molport-003-926-861 [2,0,0,0,0,0|1,0,0]=3 236 B4R0.1 C#CC(C)N Molport-009-199-310 [1,1,0,0,0,0|0,0,2]=4 237 B4R0.1 C#CC(C)N Molport-019-997-152 [1,1,0,0,0,0|0,0,2]=4 238 B4R0.1 C#CC(C)O Molport-001-756-893 [1,1,0,0,0,0|0,0,2]=4 239 B4R0.1 C=C(C)CCl Molport-000-871-802 [1,1,0,0,0,0|1,0,1]=4 240 B4R0.1 CC(=O)CCl Molport-000-871-814 [1,1,0,0,0,0|1,0,1]=4 241 B4R0.1 CC(=O)C[NH3+] Molport-002-330-020 [1,1,0,0,0,0|1,0,1]=4 242 B4R0.1 CC(C)C#N Molport-001-770-812 [1,1,0,0,0,0|1,0,1]=4 243 B4R0.1 CC(C)C=O Molport-001-787-562 [1,1,0,0,0,0|0,1,1]=4 244 B4R0.1 CC(C)CBr Molport-001-779-904 [1,1,0,0,0,0|1,0,0]=3 245 B4R0.1 CC(C)CN Molport-001-791-754 [1,1,0,0,0,0|1,0,0]=3 246 B4R0.1 CC(C)CO Molport-001-785-833 [1,1,0,0,0,0|0,1,0]=3 247 B4R0.1 CC(C)NN Molport-000-159-466 [1,1,0,0,0,0|2,0,0]=4 248 B4R0.1 CC(C)[Mg]Cl Molport-003-928-093 [1,1,0,0,0,0|2,0,0]=4 249 B4R0.1 CC(Cl)CN Molport-035-831-138 [1,1,0,0,0,0|1,0,0]=3 250 B4R0.1 CC(F)CN Molport-042-670-110 [1,1,0,0,0,0|1,0,0]=3 251 B4R0.1 CC(N)CN Molport-003-926-030 [1,1,0,0,0,0|1,0,0]=3 252 B4R0.1 CC(N)CS Molport-027-713-750 [1,1,0,0,0,0|0,0,0]=2 253 B4R0.1 CC(O)CCl Molport-001-792-062 [1,1,0,0,0,0|1,0,0]=3 254 B4R0.1 CC(O)CO Molport-001-768-866 [1,1,0,0,0,0|0,1,0]=3 255 B4R0.1 CC(S)CN Molport-023-247-163 [1,1,0,0,0,0|1,0,0]=3 256 B4R0.1 CCC(=N)N Molport-004-351-237 [1,1,0,0,0,0|1,0,1]=4 257 B4R0.1 CCC(=O)N Molport-003-926-455 [1,1,0,0,0,0|0,1,1]=4 258 B4R0.1 CCC(=O)O Molport-000-871-576 [1,1,0,0,0,0|0,1,1]=4 259 B4R0.1 CCC(C)Br Molport-001-768-736 [1,1,0,0,0,0|0,0,0]=2 260 B4R0.1 CCC(C)N Molport-001-768-854 [1,1,0,0,0,0|0,0,0]=2 261 B4R0.1 CCC(C)O Molport-001-783-136 [1,1,0,0,0,0|0,0,0]=2 262 B4R0.1 CCN(C)C Molport-003-925-293 [1,1,0,0,0,0|1,0,0]=3 263 B4R0.1 CCS(=O)O Molport-038-082-949 [1,1,0,0,0,0|1,1,0]=4 264 B4R0.1 COC(Cl)Cl Molport-003-930-857 [1,1,0,0,0,0|2,0,0]=4 265 B4R0.1 C[C@H](O)CN Molport-001-794-231 [1,1,0,0,0,0|1,0,0]=3 266 B4R0.1 NC(=O)CS Molport-000-144-354 [1,1,0,0,0,0|1,0,1]=4 267 B4R0.1 O=C(O)CS Molport-003-935-930 [1,1,0,0,0,0|1,0,1]=4 268 B4R0.1 OCC(F)F Molport-000-154-350 [1,1,0,0,0,0|1,1,0]=4 269 B6R0.1 C=CCC(O)CN Molport-027-633-222 [0,2,0,0,0,0|1,0,1]=4 270 B6R0.1 CCC(C)/C=N/O Molport-013-519-041 [0,2,0,0,0,0|0,1,1]=4 271 B6R0.1 CCC(C)CCN Molport-014-184-525 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.1 CCC(C)N=C=O Molport-001-732-525 [0,2,0,0,0,0|0,1,1]=4 273 B6R0.1 CCC/C(=N/O)/N Molport-000-145-251 [0,2,0,0,0,0|0,1,1]=4 274 B6R0.1 CCCC(=O)NN Molport-000-152-665 [0,2,0,0,0,0|0,1,1]=4 275 B6R0.1 CCNC(=O)CBr Molport-001-787-874 [0,2,0,0,0,0|1,0,1]=4 276 B6R0.1 CCNC(=O)CCl Molport-002-495-438 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.1 CCNC(C)CO Molport-005-958-905 [0,2,0,0,0,0|0,1,0]=3 278 B6R0.1 CCOC(=O)CBr Molport-000-155-170 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.1 CCOC(=O)CC Molport-001-769-743 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.1 CCOC(=O)CCl Molport-001-781-436 [0,2,0,0,0,0|1,0,1]=4 281 B6R0.1 CCOC(=O)CI Molport-003-928-420 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.1 CCOC(=O)CN Molport-001-780-044 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.1 CCOC(=O)CS Molport-002-317-318 [0,2,0,0,0,0|0,0,1]=3 284 B6R0.1 CCS(=O)CCO Molport-006-828-128 [0,2,0,0,0,0|0,1,0]=3 285 B6R0.1 CNC(=O)CCN Molport-004-310-353 [0,2,0,0,0,0|1,0,1]=4 286 B6R0.1 CNC(C)CCO Molport-005-958-913 [0,2,0,0,0,0|0,1,0]=3 287 B6R0.1 CNCC(O)CO Molport-002-508-201 [0,2,0,0,0,0|0,1,0]=3 288 B6R0.1 COC(=O)CCBr Molport-001-780-239 [0,2,0,0,0,0|1,0,1]=4 289 B6R0.1 COC(=O)CCCl Molport-001-785-711 [0,2,0,0,0,0|1,0,1]=4 290 B6R0.1 COC(=O)CCO Molport-001-787-796 [0,2,0,0,0,0|0,1,1]=4 291 B6R0.1 COC(=O)CCS Molport-001-766-713 [0,2,0,0,0,0|0,0,1]=3 292 B6R0.1 COCC(N)CO Molport-000-001-255 [0,2,0,0,0,0|0,1,0]=3 293 B6R0.1 COCC(O)CN Molport-000-001-153 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.2 CC(=O)CC(C)C Molport-001-789-273 [0,2,0,0,0,0|0,1,1]=4 295 B6R0.2 CC(C)CC(=O)Cl Molport-000-871-697 [0,2,0,0,0,0|0,1,1]=4 296 B6R0.2 CC(C)CC(C)N Molport-001-794-244 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.2 CC(C)NC(C)C Molport-001-759-225 [0,2,0,0,0,0|2,0,0]=4 298 B6R0.2 CC(C)OC(=S)S Molport-006-149-841 [0,2,0,0,0,0|1,0,1]=4 299 B6R0.2 CC(Cl)CN(C)C Molport-001-783-683 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.2 CC(N)CC(=O)N Molport-039-240-602 [0,2,0,0,0,0|0,1,1]=4 301 B6R0.2 CC(N)CC(F)F Molport-038-949-219 [0,2,0,0,0,0|1,0,0]=3 302 B6R0.3 CC(C)C(=O)CN Molport-020-166-220 [0,2,0,0,0,0|1,0,1]=4 303 B6R0.3 CC(C)C(=O)CO Molport-022-912-562 [0,2,0,0,0,0|0,1,1]=4 304 B6R0.3 CC(C)C(N)C#N Molport-016-636-741 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.3 CC(C)C(O)CN Molport-000-001-216 [0,2,0,0,0,0|1,0,0]=3 306 B6R0.3 CC(C)[C@@H](C)CO Molport-027-839-182 [0,2,0,0,0,0|0,1,0]=3 307 B6R0.3 CC(C)[C@H](C)CO Molport-044-550-854 [0,2,0,0,0,0|0,1,0]=3 308 B6R0.3 CC(C)[C@H](N)CO Molport-023-282-273 [0,2,0,0,0,0|0,1,0]=3 309 B6R0.3 CC(CN)C(F)F Molport-029-078-615 [0,2,0,0,0,0|2,0,0]=4 310 B6R0.3 CCC(Br)C(=O)Cl Molport-001-781-572 [0,2,0,0,0,0|0,1,1]=4 311 B6R0.3 CCC(Br)C(=O)N Molport-009-676-971 [0,2,0,0,0,0|0,1,1]=4 312 B6R0.3 CCC(C)C(=O)O Molport-001-779-742 [0,2,0,0,0,0|0,1,1]=4 313 B6R0.3 CCC(N)C(=O)N Molport-009-753-214 [0,2,0,0,0,0|0,1,1]=4 314 B6R0.3 CCC(N)C(=O)O Molport-001-771-110 [0,2,0,0,0,0|0,1,1]=4 315 B6R0.3 CCC(N)C(C)O Molport-022-470-337 [0,2,0,0,0,0|0,1,0]=3 316 B6R0.3 CCC(O)C(C)O Molport-006-128-635 [0,2,0,0,0,0|0,1,0]=3 317 B6R0.3 CC[C@@H](O)C(=O)O Molport-003-936-425 [0,2,0,0,0,0|0,1,1]=4 318 B6R0.3 N[C@H](CS)C(=O)O Molport-003-929-589 [0,2,0,0,0,0|1,0,1]=4 319 B6R0.3 [NH-]C(CS)C(=O)O Molport-047-739-928 [0,2,0,0,0,0|1,0,1]=4 320 B6R0.4 C#CCNC(C)C Molport-004-375-922 [0,2,0,0,0,0|1,0,1]=4 321 B6R0.4 C=C(C)CNCC Molport-001-791-865 [0,2,0,0,0,0|1,0,1]=4 322 B6R0.4 CC(=O)CCCCl Molport-001-759-283 [0,2,0,0,0,0|1,0,0]=3 323 B6R0.4 CC(=O)NCCCl Molport-002-501-811 [0,2,0,0,0,0|1,0,1]=4 324 B6R0.4 CC(=O)NCCN Molport-001-791-776 [0,2,0,0,0,0|1,0,1]=4 325 B6R0.4 CC(=O)OCCBr Molport-001-791-955 [0,2,0,0,0,0|1,0,1]=4 326 B6R0.4 CC(=O)SCCN Molport-044-566-675 [0,2,0,0,0,0|1,0,1]=4 327 B6R0.4 CC(Br)CCC#N Molport-006-121-010 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.4 CC(C)CCCN Molport-004-308-245 [0,2,0,0,0,0|1,0,0]=3 329 B6R0.4 CC(C)CCON Molport-039-209-744 [0,2,0,0,0,0|0,1,0]=3 330 B6R0.4 CC(C)CN=C=O Molport-003-748-781 [0,2,0,0,0,0|0,1,1]=4 331 B6R0.4 CC(C)OCCBr Molport-002-465-553 [0,2,0,0,0,0|1,0,0]=3 332 B6R0.4 CC(C)OCCCl Molport-002-508-108 [0,2,0,0,0,0|1,0,0]=3 333 B6R0.4 CC(C)OCCN Molport-001-794-460 [0,2,0,0,0,0|1,0,0]=3 334 B6R0.4 CC(C)OCCO Molport-001-791-402 [0,2,0,0,0,0|0,1,0]=3 335 B6R0.4 CC(C)SCCCl Molport-008-154-301 [0,2,0,0,0,0|1,0,0]=3 336 B6R0.4 CC(N)CCCN Molport-020-866-580 [0,2,0,0,0,0|1,0,0]=3 337 B6R0.4 CCCCC(=O)Cl Molport-001-789-178 [0,2,0,0,0,0|0,1,0]=3 338 B6R0.4 CCCOC(=O)N Molport-004-946-681 [0,2,0,0,0,0|0,1,1]=4 339 B6R0.4 CCCOC(=S)[S-] Molport-002-549-259 [0,2,0,0,0,0|0,0,2]=4 340 B6R0.4 CCNCC(C)C Molport-005-312-382 [0,2,0,0,0,0|1,0,0]=3 341 B6R0.4 CN(C)CCC#N Molport-001-794-510 [0,2,0,0,0,0|1,0,1]=4 342 B6R0.4 CN(C)CCCN Molport-001-791-758 [0,2,0,0,0,0|1,0,0]=3 343 B6R0.4 CN(C)CCCO Molport-001-768-954 [0,2,0,0,0,0|0,1,0]=3 344 B6R0.4 CN(C)CCNN Molport-006-704-068 [0,2,0,0,0,0|2,0,0]=4 345 B6R0.4 CNCCC(=O)O Molport-009-286-472 [0,2,0,0,0,0|0,1,1]=4 346 B6R0.4 CNCCN(C)C Molport-001-794-238 [0,2,0,0,0,0|2,0,0]=4 347 B6R0.4 COCCC(=N)N Molport-000-004-631 [0,2,0,0,0,0|1,0,1]=4 348 B6R0.4 COCCC(=O)O Molport-001-794-152 [0,2,0,0,0,0|0,1,1]=4 349 B6R0.4 NC(=O)CCCCl Molport-000-860-846 [0,2,0,0,0,0|0,1,1]=4 350 B6R0.4 NCCCC(=O)Cl Molport-035-707-176 [0,2,0,0,0,0|0,1,1]=4 351 B6R0.4 NCCCC(=O)N Molport-005-312-735 [0,2,0,0,0,0|0,1,1]=4 352 B6R0.4 NCCCC(F)F Molport-029-944-736 [0,2,0,0,0,0|1,0,0]=3 353 B6R0.4 O=C(Cl)CCCCl Molport-001-768-913 [0,2,0,0,0,0|0,1,1]=4 354 B6R0.4 O=C([O-])CCCCl Molport-047-739-949 [0,2,0,0,0,0|0,1,1]=4 355 B6R0.5 C=CCC(C)(C)O Molport-003-910-811 [0,2,0,0,0,0|1,0,1]=4 356 B6R0.5 CC(C)(C)CCBr Molport-001-793-415 [0,2,0,0,0,0|1,0,0]=3 357 B6R0.5 CC(C)(C)CCCl Molport-001-787-333 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.5 CC(C)(N)CON Molport-022-051-444 [0,2,0,0,0,0|2,0,0]=4 359 B6R0.5 CC(C)(O)CCN Molport-000-001-258 [0,2,0,0,0,0|1,0,0]=3 360 B6R0.5 CCCS(=O)(=O)Cl Molport-001-791-706 [0,2,0,0,0,0|1,1,0]=4 361 B6R0.5 CNCC(C)(C)C Molport-008-643-550 [0,2,0,0,0,0|2,0,0]=4 362 B6R0.5 CNCC(C)(C)O Molport-008-545-468 [0,2,0,0,0,0|1,1,0]=4 363 B6R0.5 CNCC(F)(F)F Molport-003-991-805 [0,2,0,0,0,0|2,0,0]=4 364 B6R0.5 CS(=O)(=O)CCN Molport-001-760-137 [0,2,0,0,0,0|2,0,0]=4 365 B6R0.5 CS(=O)(=O)CCN Molport-001-794-665 [0,2,0,0,0,0|2,0,0]=4 366 B6R0.5 C[N+](C)(C)CCO Molport-044-560-858 [0,2,0,0,0,0|1,1,0]=4 367 B6R0.5 C[N+](C)(N)CCCl Molport-002-740-471 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.5 C[N+](C)(N)CCCl Molport-046-849-015 [0,2,0,0,0,0|2,0,0]=4 369 B6R0.5 NCCS(=O)(=O)S Molport-006-148-179 [0,2,0,0,0,0|2,0,0]=4 370 B6R0.6 BrCCCCCBr Molport-001-779-709 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.6 BrCCNCCBr Molport-020-180-016 [0,2,0,0,0,0|1,0,0]=3 372 B6R0.6 BrCCSCCBr Molport-039-347-700 [0,2,0,0,0,0|1,0,0]=3 373 B6R0.6 C#CCCCNC Molport-039-070-665 [0,2,0,0,0,0|1,0,0]=3 374 B6R0.6 C#CCOCCBr Molport-021-874-993 [0,2,0,0,0,0|1,0,1]=4 375 B6R0.6 C#CCOCCN Molport-013-597-764 [0,2,0,0,0,0|1,0,1]=4 376 B6R0.6 C#CCOCCO Molport-006-115-826 [0,2,0,0,0,0|0,1,1]=4 377 B6R0.6 C#CCSCCN Molport-020-167-635 [0,2,0,0,0,0|1,0,1]=4 378 B6R0.6 CCCCCCBr Molport-001-783-750 [0,2,0,0,0,0|1,0,0]=3 379 B6R0.6 CCCCCCI Molport-001-783-756 [0,2,0,0,0,0|1,0,0]=3 380 B6R0.6 CCCCCCN Molport-001-768-945 [0,2,0,0,0,0|1,0,0]=3 381 B6R0.6 CCCCNCC Molport-001-791-759 [0,2,0,0,0,0|1,0,0]=3 382 B6R0.6 CCCNCCC Molport-001-791-507 [0,2,0,0,0,0|1,0,0]=3 383 B6R0.6 CCCOCCO Molport-001-791-475 [0,2,0,0,0,0|0,1,0]=3 384 B6R0.6 CCCSCCN Molport-019-931-062 [0,2,0,0,0,0|1,0,0]=3 385 B6R0.6 CCOCCCN Molport-001-791-503 [0,2,0,0,0,0|1,0,0]=3 386 B6R0.6 CCOCCNC Molport-011-940-592 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.6 CCOCOCC Molport-003-934-226 [0,2,0,0,0,0|1,0,0]=3 388 B6R0.6 CCSCCCO Molport-001-791-619 [0,2,0,0,0,0|0,1,0]=3 389 B6R0.6 CNCCCCN Molport-000-004-738 [0,2,0,0,0,0|1,0,0]=3 390 B6R0.6 CNCCCOC Molport-008-643-554 [0,2,0,0,0,0|0,1,0]=3 391 B6R0.6 COCCCCN Molport-004-321-937 [0,2,0,0,0,0|0,1,0]=3 392 B6R0.6 COCCN=C=O Molport-002-039-853 [0,2,0,0,0,0|0,1,1]=4 393 B6R0.6 ClCCOCCCl Molport-000-151-535 [0,2,0,0,0,0|1,0,0]=3 394 B6R0.6 ICCOCCI Molport-000-004-398 [0,2,0,0,0,0|1,0,0]=3 395 B6R0.6 NCCCCCN Molport-002-317-350 [0,2,0,0,0,0|1,0,0]=3 396 B6R0.6 NCCCNC=O Molport-003-761-655 [0,2,0,0,0,0|0,1,1]=4 397 B6R0.6 NCCNCCN Molport-003-930-024 [0,2,0,0,0,0|1,0,0]=3 398 B6R0.6 NCCNCCO Molport-003-926-190 [0,2,0,0,0,0|0,1,0]=3 399 B6R0.6 NCCOCCCl Molport-023-282-523 [0,2,0,0,0,0|1,0,0]=3 400 B6R0.6 NCCOCCO Molport-001-791-388 [0,2,0,0,0,0|0,1,0]=3 401 B6R0.6 NCCSCCO Molport-000-146-073 [0,2,0,0,0,0|0,1,0]=3 402 B6R0.6 O=CCCCC=O Molport-001-781-859 [0,2,0,0,0,0|0,1,1]=4 403 B6R0.6 OCCCCCO Molport-001-781-608 [0,2,0,0,0,0|0,1,0]=3 404 B6R0.6 OCCOCCBr Molport-026-971-878 [0,2,0,0,0,0|0,1,0]=3 405 B6R0.6 OCCOCCF Molport-001-786-183 [0,2,0,0,0,0|0,1,0]=3 406 B6R0.6 [N-]=[N+]=NCCCN Molport-012-858-734 [0,2,0,0,0,0|2,0,0]=4 407 B6R0.6 [N-]=[N+]=NCCCO Molport-013-674-240 [0,2,0,0,0,0|1,1,0]=4 408 B6R0.8 C#CC(C)(N)CC Molport-002-742-077 [0,2,0,0,0,0|1,0,1]=4 409 B6R0.8 C#CC(C)(N)CC Molport-035-716-265 [0,2,0,0,0,0|1,0,1]=4 410 B6R0.8 C#CC(C)(N)CC Molport-046-848-713 [0,2,0,0,0,0|1,0,1]=4 411 B6R0.8 CC(C)(CN)CO Molport-001-791-634 [0,2,0,0,0,0|1,1,0]=4 412 B6R0.8 CC(C)(CO)CO Molport-003-932-306 [0,2,0,0,0,0|1,1,0]=4 413 B6R0.8 CCC(C)(C)CO Molport-006-113-057 [0,2,0,0,0,0|0,1,0]=3 414 B6R0.8 CCC(C)(C)NN Molport-029-078-069 [0,2,0,0,0,0|2,0,0]=4 415 B6R0.8 CCC(C)(N)CO Molport-000-149-277 [0,2,0,0,0,0|0,1,0]=3 416 B6R0.8 CCC(C)(N)CO Molport-008-326-813 [0,2,0,0,0,0|0,1,0]=3 417 B6R0.8 CCS(=N)(=O)CC Molport-035-783-559 [0,2,0,0,0,0|2,0,0]=4 418 B6R0.8 COC(C)(C)CN Molport-001-794-920 [0,2,0,0,0,0|2,0,0]=4 419 B6R0.9 CCC(C#N)CC Molport-006-112-092 [0,2,0,0,0,0|1,0,0]=3 420 B6R0.9 CCC(CC)CN Molport-001-761-364 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.9 CCC(CC)CO Molport-001-791-496 [0,2,0,0,0,0|0,1,0]=3 422 B6R0.9 CCN(CC)CC Molport-000-158-762 [0,2,0,0,0,0|2,0,0]=4 423 B6R0.9 CCN(CC)CC Molport-000-872-061 [0,2,0,0,0,0|2,0,0]=4 424 B6R0.9 CCN(CC)CC Molport-003-928-861 [0,2,0,0,0,0|2,0,0]=4 425 B6R0.9 CC[NH+](CC)CC Molport-000-516-195 [0,2,0,0,0,0|2,0,0]=4 426 B6R0.9 CC[S+](CC)CC Molport-001-485-531 [0,2,0,0,0,0|2,0,0]=4 427 B6R0.9 CC[SiH](CC)CC Molport-000-158-767 [0,2,0,0,0,0|1,1,0]=4 428 B6R0.9 COC(CCl)OC Molport-001-789-904 [0,2,0,0,0,0|2,0,0]=4 429 B6R0.9 COC(CN)CO Molport-023-313-611 [0,2,0,0,0,0|1,1,0]=4 430 B6R0.9 COC(CN)OC Molport-000-145-995 [0,2,0,0,0,0|2,0,0]=4 431 B4R1.2 CC1CO1 Molport-003-925-881 [1,0,0,1,0,0|0,1,0]=3 432 B4R1.2 NC1CC1 Molport-000-153-790 [1,0,0,1,0,0|1,0,0]=3 433 B6R1.2 BrC1CCCC1 Molport-000-153-781 [0,1,0,1,0,0|1,0,0]=3 434 B6R1.2 CC1=NCCN1 Molport-000-525-634 [0,1,0,1,0,0|1,0,1]=4 435 B6R1.2 CC1=NNCC1 Molport-006-309-940 [0,1,0,1,0,0|1,0,1]=4 436 B6R1.2 CC1CCSC1 Molport-009-681-074 [0,1,0,1,0,0|0,0,0]=2 437 B6R1.2 C[C@H]1CCCN1 Molport-002-501-417 [0,1,0,1,0,0|1,0,0]=3 438 B6R1.2 ClC1CCCC1 Molport-001-759-290 [0,1,0,1,0,0|1,0,0]=3 439 B6R1.2 FC1CCNC1 Molport-016-637-620 [0,1,0,1,0,0|1,0,0]=3 440 B6R1.2 FC1CNOC1 Molport-051-547-803 [0,1,0,1,0,0|1,1,0]=4 441 B6R1.2 N=C1CCCN1 Molport-005-310-923 [0,1,0,1,0,0|1,0,1]=4 442 B6R1.2 NC1=NCCC1 Molport-004-968-713 [0,1,0,1,0,0|1,0,1]=4 443 B6R1.2 NC1=NCCS1 Molport-001-607-034 [0,1,0,1,0,0|1,0,1]=4 444 B6R1.2 NC1=NCCS1 Molport-001-767-657 [0,1,0,1,0,0|1,0,1]=4 445 B6R1.2 NC1CCCC1 Molport-000-871-509 [0,1,0,1,0,0|1,0,0]=3 446 B6R1.2 NC1CCNC1 Molport-002-343-989 [0,1,0,1,0,0|1,0,0]=3 447 B6R1.2 NC1CCOC1 Molport-001-794-861 [0,1,0,1,0,0|0,1,0]=3 448 B6R1.2 NC1CCSC1 Molport-004-305-541 [0,1,0,1,0,0|0,0,0]=2 449 B6R1.2 NC1CSSC1 Molport-002-320-000 [0,1,0,1,0,0|1,0,0]=3 450 B6R1.2 N[C@H]1CCOC1 Molport-005-937-196 [0,1,0,1,0,0|0,1,0]=3 451 B6R1.2 O=C1CCCC1 Molport-000-871-991 [0,1,0,1,0,0|0,1,0]=3 452 B6R1.2 O=C1CCCN1 Molport-003-928-391 [0,1,0,1,0,0|0,1,1]=4 453 B6R1.2 O=C1CCNC1 Molport-000-006-145 [0,1,0,1,0,0|0,1,1]=4 454 B6R1.2 O=C1NCCS1 Molport-002-465-761 [0,1,0,1,0,0|1,0,1]=4 455 B6R1.2 OC1CCCC1 Molport-001-759-288 [0,1,0,1,0,0|0,1,0]=3 456 B6R1.2 OC1CCNC1 Molport-000-156-385 [0,1,0,1,0,0|0,1,0]=3 457 B6R1.2 OC1CCOC1 Molport-000-156-389 [0,1,0,1,0,0|0,1,0]=3 458 B6R1.2 O[C@@H]1CCNC1 Molport-001-768-758 [0,1,0,1,0,0|0,1,0]=3 459 B6R1.2 O[C@@H]1CCSC1 Molport-035-770-278 [0,1,0,1,0,0|0,0,0]=2 460 B6R1.2 O[C@@H]1CNOC1 Molport-028-959-616 [0,1,0,1,0,0|1,1,0]=4 461 B6R1.2 O[C@H]1CCNC1 Molport-000-004-312 [0,1,0,1,0,0|0,1,0]=3 462 B6R1.2 O[C@H]1CNOC1 Molport-028-959-980 [0,1,0,1,0,0|1,1,0]=4 463 B6R1.2 SC1=NCCN1 Molport-002-345-241 [0,1,0,1,0,0|1,0,1]=4 464 B6R1.2 SC1=NCCS1 Molport-000-872-192 [0,1,0,1,0,0|1,0,1]=4 465 B6R1.3 CCNC1CC1 Molport-004-309-107 [0,1,0,1,0,0|1,0,0]=3 466 B6R1.3 COCC1CO1 Molport-003-987-095 [0,1,0,1,0,0|0,1,0]=3 467 B6R1.3 NCCC1CC1 Molport-006-389-889 [0,1,0,1,0,0|1,0,0]=3 468 B6R1.3 NNCC1CC1 Molport-005-311-503 [0,1,0,1,0,0|1,0,0]=3 469 B6R1.3 NOCC1CC1 Molport-006-666-225 [0,1,0,1,0,0|0,1,0]=3 470 B6R1.3 O=C=NC1CC1 Molport-003-748-780 [0,1,0,1,0,0|0,1,1]=4 471 B6R1.3 S=C=NC1CC1 Molport-000-146-889 [0,1,0,1,0,0|0,0,2]=4 472 B6R1.8 CO[C@H]1C[C@H]1N Molport-047-413-065 [0,1,0,1,0,0|1,0,0]=3 473 B6R1.8 N[C@@H]1C[C@H]1CO Molport-035-765-333 [0,1,0,1,0,0|0,1,0]=3 474 B6R1.9 CC1(CC1N)C Molport-016-634-268 [0,1,0,1,0,0|1,0,0]=3 475 B6R1.10 CC1(CCC1)N Molport-000-139-228 [0,1,0,1,0,0|1,0,0]=3 476 B6R1.10 CC1(CNC1)C Molport-044-548-606 [0,1,0,1,0,0|2,0,0]=4 477 B6R1.10 CC1(CNC1)O Molport-009-682-932 [0,1,0,1,0,0|1,1,0]=4 478 B6R1.10 O=S1(=O)CCC1 Molport-003-914-158 [0,1,0,1,0,0|1,1,0]=4 479 B6R1.11 CC(N)C1CC1 Molport-000-929-134 [0,1,0,1,0,0|1,0,0]=3 480 B6R1.11 CC(O)C1CC1 Molport-001-793-739 [0,1,0,1,0,0|0,1,0]=3 481 B6R1.11 C[C@H](N)C1CC1 Molport-038-935-582 [0,1,0,1,0,0|1,0,0]=3 482 B6R1.11 N=C(N)C1CC1 Molport-000-002-502 [0,1,0,1,0,0|1,0,1]=4 483 B6R1.11 NC(=O)C1CC1 Molport-001-759-958 [0,1,0,1,0,0|0,1,1]=4 484 B6R1.11 NC(=S)C1CC1 Molport-002-776-821 [0,1,0,1,0,0|0,0,2]=4 485 B6R1.11 O=C(Cl)C1CC1 Molport-001-794-223 [0,1,0,1,0,0|0,1,1]=4 486 B6R1.1 C1=CCCCC1 Molport-001-779-794 [0,1,0,1,0,0|1,0,0]=3 487 B6R1.1 C1=COCCC1 Molport-001-760-505 [0,1,0,1,0,0|0,1,1]=4 488 B6R1.1 C1CCCCC1 Molport-001-785-799 [0,1,0,1,0,0|1,0,0]=3 489 B6R1.1 C1CNCCN1 Molport-000-872-010 [0,1,0,1,0,0|1,0,0]=3 490 B6R1.1 C1CNCCN1 Molport-003-939-135 [0,1,0,1,0,0|1,0,0]=3 491 B6R1.1 C1CNCCN1 Molport-006-108-256 [0,1,0,1,0,0|1,0,0]=3 492 B6R1.1 C1CNCOC1 Molport-020-394-588 [0,1,0,1,0,0|0,1,0]=3 493 B6R1.1 C1CSCCN1 Molport-003-939-584 [0,1,0,1,0,0|0,0,0]=2 494 B6R1.1 C1OCOCO1 Molport-003-939-763 [0,1,0,1,0,0|1,1,0]=4 495 B6R1.4 CC1CCC1N Molport-038-948-316 [0,1,0,1,0,0|1,0,0]=3 496 B6R1.4 CC1CCC1O Molport-026-437-424 [0,1,0,1,0,0|0,1,0]=3 497 B6R1.4 N[C@@H]1CC[C@H]1O Molport-038-948-591 [0,1,0,1,0,0|0,1,0]=3 498 B6R1.6 CCC1CNC1 Molport-044-187-793 [0,1,0,1,0,0|1,0,0]=3 499 B6R1.6 CNC1CCC1 Molport-011-673-295 [0,1,0,1,0,0|1,0,0]=3 500 B6R1.6 CSC1CNC1 Molport-020-393-119 [0,1,0,1,0,0|1,0,0]=3 501 B6R1.6 N#CC1CNC1 Molport-023-330-114 [0,1,0,1,0,0|1,0,1]=4 502 B6R1.6 NNC1CCC1 Molport-005-311-502 [0,1,0,1,0,0|1,0,0]=3 503 B6R1.6 NNC1CCC1 Molport-009-198-565 [0,1,0,1,0,0|1,0,0]=3 504 B6R1.6 O=CC1CCC1 Molport-008-156-012 [0,1,0,1,0,0|0,1,0]=3 505 B6R1.6 OCC1CCC1 Molport-000-153-743 [0,1,0,1,0,0|0,1,0]=3 506 B6R1.6 OCC1CNC1 Molport-019-879-014 [0,1,0,1,0,0|0,1,0]=3 507 B6R1.6 OCC1COC1 Molport-019-867-179 [0,1,0,1,0,0|0,1,0]=3 508 B6R1.7 NC1(CC1)CO Molport-009-682-276 [0,1,0,1,0,0|0,1,0]=3