0 B5R0.1 CCCN(C)C Molport-006-112-640 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CN(C)CC#C Molport-001-785-479 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CN(C)CC=C Molport-003-925-486 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CN(C)CCF Molport-051-781-971 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CN(C)CCN Molport-001-769-719 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CN(C)CCN Molport-009-653-578 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CN(C)CCN Molport-047-918-246 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CN(C)CCN Molport-047-968-305 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CCN(C)C Molport-003-925-293 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CCN(C)C Molport-051-972-827 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.1 CCN(C)CCN Molport-008-750-869 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 CCN(C)CCN Molport-046-147-409 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.2 CC(N)CN(C)C Molport-001-791-742 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.2 CC(N)CN(C)C Molport-035-691-042 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.2 CC(O)CN(C)C Molport-001-783-682 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.2 CC(O)CN(C)C Molport-042-623-313 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.2 CN(C)CC(=O)O Molport-001-792-053 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.2 CN(C)CC(=O)O Molport-003-355-838 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.2 C[C@@H](N)CN(C)C Molport-033-487-456 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.2 C[C@@H](N)CN(C)C Molport-046-931-303 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.2 C[C@@H](O)CN(C)C Molport-033-356-069 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.2 C[C@H](N)CN(C)C Molport-033-483-934 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.2 C[C@H](N)CN(C)C Molport-038-948-662 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.2 C[C@H](O)CN(C)C Molport-003-933-716 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.4 CCCCN(C)C Molport-003-931-157 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.4 CN(C)CCC#C Molport-020-404-288 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.4 CN(C)CCC#C Molport-029-939-382 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.4 CN(C)CCCN Molport-001-791-758 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.4 CN(C)CCCN Molport-047-589-368 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.4 CN(C)CCCN Molport-047-659-943 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.4 CN(C)CCCO Molport-001-768-954 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.4 CN(C)CCCS Molport-026-522-658 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.4 CN(C)CCCS Molport-046-688-130 [0,1,0,0,0,0|1,1,1]=4 33 B6R0.4 CN(C)CCNN Molport-003-762-436 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.4 CN(C)CCNN Molport-006-704-068 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.4 CN(C)CCNN Molport-047-156-107 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.4 CN(C)CCON Molport-039-241-973 [0,1,0,0,0,0|1,0,1]=3 37 B6R0.4 CNCCN(C)C Molport-001-794-238 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.4 CNCCN(C)C Molport-020-180-007 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.4 CNCCN(C)C Molport-028-956-475 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.4 COCCN(C)C Molport-018-617-161 [0,1,0,0,0,0|1,0,1]=3 41 B6R0.4 COCCN(C)C Molport-047-914-179 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.4 CSCCN(C)C Molport-001-764-898 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.4 CSCCN(C)C Molport-047-942-595 [0,1,0,0,0,0|1,1,1]=4 44 B6R1.2 CC1CCCC1 Molport-001-785-798 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.2 CC1CCCO1 Molport-001-786-550 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.2 CN1CCCC1 Molport-001-781-156 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.2 CN1CCCC1 Molport-047-589-454 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 CN1CCNC1 Molport-047-587-437 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.2 CN1CCOC1 Molport-020-916-488 [0,0,0,1,0,0|1,0,1]=3 50 B6R1.2 N=C1CCCN1 Molport-005-310-923 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.2 NC1CCOC1 Molport-001-794-861 [0,0,0,1,0,0|1,0,2]=4 52 B6R1.2 NC1CCOC1 Molport-009-197-833 [0,0,0,1,0,0|1,0,2]=4 53 B6R1.2 N[C@@H]1CCOC1 Molport-006-666-345 [0,0,0,1,0,0|1,0,2]=4 54 B6R1.2 N[C@@H]1CCOC1 Molport-009-680-802 [0,0,0,1,0,0|1,0,2]=4 55 B6R1.2 N[C@H]1CCOC1 Molport-001-768-755 [0,0,0,1,0,0|1,0,2]=4 56 B6R1.2 N[C@H]1CCOC1 Molport-005-937-196 [0,0,0,1,0,0|1,0,2]=4 57 B6R1.2 O=C1CCCN1 Molport-003-928-391 [0,0,0,1,0,0|3,0,0]=4 58 B6R1.2 O=C1CCOC1 Molport-006-708-377 [0,0,0,1,0,0|1,0,1]=3 59 B6R1.2 S=C1CCCN1 Molport-001-762-079 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.5 CN1CC(C1)N Molport-002-344-423 [0,0,0,1,0,0|2,0,1]=4 61 B6R1.5 CN1CC(C1)N Molport-015-164-284 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.5 CN1CC(C1)N Molport-051-990-744 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.11 NC(=O)C1CO1 Molport-003-847-615 [0,0,0,1,0,0|2,0,1]=4 64 B3R0.2 CN(C)C Molport-000-883-876 [2,0,0,0,0,0|1,0,0]=3 65 B3R0.2 CN(C)C Molport-003-939-725 [2,0,0,0,0,0|1,0,0]=3 66 B3R0.2 CN(C)C Molport-051-610-872 [2,0,0,0,0,0|1,0,0]=3 67 B3R0.2 C[NH+](C)C Molport-006-114-731 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.3 CCN(C)CC Molport-003-930-047 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.2 CC(CO)CN(C)C Molport-005-958-914 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.2 CCC(O)CN(C)C Molport-013-042-123 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.2 CN(C)C/C(=N/O)/N Molport-005-933-234 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.2 CN(C)C/C(=N/O)/N Molport-046-682-534 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.2 CN(C)CC(=N)NO Molport-023-331-618 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.2 CN(C)CC(F)CO Molport-051-780-981 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.2 CN(C)CC(N)CO Molport-038-948-686 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.2 CN(C)CC(O)CF Molport-046-022-974 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.2 CN(C)CC(O)CN Molport-004-310-007 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.2 CN(C)CC(O)CN Molport-023-334-834 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.2 CN(C)CC(O)CN Molport-029-997-659 [0,2,0,0,0,0|1,0,1]=4 80 B7R0.2 CN(C)CC(O)CO Molport-003-927-807 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.2 CN(C)C[C@@H](N)CO Molport-047-637-331 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.2 CN(C)C[C@@H](O)CN Molport-047-635-972 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.2 CN(C)C[C@@H](O)CO Molport-047-459-529 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.2 CN(C)C[C@H](N)CO Molport-047-634-992 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.2 CN(C)C[C@H](O)CO Molport-002-051-482 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.2 C[C@@H](CO)CN(C)C Molport-051-739-087 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.2 C[C@H](CO)CN(C)C Molport-051-739-021 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.3 CCN(C)CCCO Molport-005-958-924 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.7 CN(CCN)CCO Molport-011-393-563 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.7 CN(CCO)CC#C Molport-011-938-448 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.7 CN(CCO)CC=C Molport-002-492-491 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.7 CN(CCO)CCF Molport-026-866-971 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.9 CN(C)CC(C)(C)O Molport-008-545-476 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.9 CN(C)CC(C)(C)O Molport-039-240-333 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.4 CCOCCN(C)C Molport-051-717-769 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.4 CN(C)CC#CCO Molport-019-992-026 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.4 CN(C)CCCCO Molport-003-939-686 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.4 CN(C)CCCON Molport-046-673-333 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.4 COCCCN(C)C Molport-001-763-291 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.4 COCCCN(C)C Molport-044-586-597 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.6 CC(O)CCN(C)C Molport-011-655-104 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.6 CN(C)CCC(=O)O Molport-001-790-337 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.6 CN(C)CCC(=O)O Molport-016-580-608 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.6 C[C@@H](O)CCN(C)C Molport-046-240-483 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.6 C[C@H](O)CCN(C)C Molport-046-160-721 [0,2,0,0,0,0|1,0,1]=4 106 B5R1.1 C1CCOC1 Molport-000-871-942 [1,0,0,1,0,0|0,0,2]=4 107 B5R1.1 C1CCOC1 Molport-046-687-398 [1,0,0,1,0,0|0,0,2]=4 108 B5R1.1 C1COCO1 Molport-003-846-952 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.1 NCC1CCOC1 Molport-000-140-229 [0,1,0,1,0,0|0,0,2]=4 110 B7R1.1 NCC1CCOC1 Molport-004-961-869 [0,1,0,1,0,0|0,0,2]=4 111 B7R1.1 NC[C@@H]1CCOC1 Molport-028-749-582 [0,1,0,1,0,0|0,0,2]=4 112 B7R1.1 NC[C@@H]1CCOC1 Molport-035-772-102 [0,1,0,1,0,0|0,0,2]=4 113 B7R1.1 NC[C@H]1CCOC1 Molport-028-749-578 [0,1,0,1,0,0|0,0,2]=4 114 B7R1.1 NC[C@H]1CCOC1 Molport-030-086-377 [0,1,0,1,0,0|0,0,2]=4 115 B7R1.2 CN1CCC(C1)O Molport-001-768-952 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.2 CN1CC[C@@H](C1)O Molport-001-768-441 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.2 CN1CC[C@H](C1)O Molport-001-768-440 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.3 CN1CCOCC1 Molport-000-882-332 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.3 CN1CCOCC1 Molport-006-115-550 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.3 O=C1COCCO1 Molport-003-986-736 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.4 CN1CCCC1=N Molport-023-247-206 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.4 CN1CCCC1=O Molport-002-317-275 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.4 CN1CCCC1=S Molport-002-484-093 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.4 FC1COCC1=O Molport-051-903-145 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.4 O=C1CCCC1=O Molport-029-944-668 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.20 CN(C)CC1CO1 Molport-004-309-967 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.26 CC(C)(F)C1CO1 Molport-046-241-024 [0,1,0,1,0,0|0,0,2]=4