0 B7R0.6 CC(C)CC=C(C)C Molport-028-747-066 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 CCCC=C(C)C Molport-003-910-491 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.29 CC(=CCC(C)(C)C)C Molport-047-409-271 [0,1,0,0,0,0|2,0,1]=4 3 B8R1.3 CC1CCC(CC1)O Molport-001-759-247 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.3 C[C@H]1CC[C@@H](CC1)O Molport-001-793-652 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.3 C[C@H]1CC[C@H](CC1)O Molport-001-793-707 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.35 CC(C)CCC1CO1 Molport-030-346-075 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.51 CC1(CC(CN1)O)C Molport-029-095-226 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.51 CC1(CC(CN1)O)C Molport-038-084-244 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.51 CC1(CC(CO1)N)C Molport-028-912-497 [0,0,0,1,0,0|2,1,0]=4 10 B8R1.51 CC1(CC(CO1)N)C Molport-044-729-955 [0,0,0,1,0,0|2,1,0]=4 11 B8R1.51 CC1(CC(CO1)O)C Molport-042-675-646 [0,0,0,1,0,0|2,1,0]=4 12 B8R1.51 CC1(CCC(C1)N)C Molport-027-633-176 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.51 CC1(CCC(C1)N)C Molport-027-845-073 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.51 CC1(CCC(C1)O)C Molport-023-611-486 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.51 CC1(C[C@@H](CN1)O)C Molport-047-977-500 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.51 CC1CC(CN1)(C)C Molport-039-241-863 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.51 CC1CCC(C1)(C)N Molport-047-109-482 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.51 CC1CCC(C1)(C)O Molport-020-915-592 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.51 CC1CCC(N1)(C)C Molport-019-938-008 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.51 CC1CCC(N1)(C)C Molport-039-240-946 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.51 CC1CNC(C1)(C)C Molport-019-879-636 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.51 CC1CNC(C1)(C)C Molport-028-956-652 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.51 CC1COC(O1)(C)C Molport-001-789-480 [0,0,0,1,0,0|2,1,0]=4 24 B8R1.51 C[C@@H]1CNC(C1)(C)C Molport-046-859-387 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.51 C[C@@H]1CNC(C1)(C)C Molport-047-482-355 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.51 C[C@H]1CC(CN1)(C)C Molport-047-638-329 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.51 C[C@H]1COC(O1)(C)C Molport-051-570-712 [0,0,0,1,0,0|2,1,0]=4 28 B8R1.69 CC1(CCC1(C)N)C Molport-047-348-992 [0,0,0,1,0,0|3,0,0]=4 29 B5R0.1 CCC=C(C)C Molport-003-938-589 [2,0,0,0,0,0|1,0,1]=4 30 B7R1.2 CC1CNC(C1)C Molport-020-093-552 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.2 C[C@@H]1CN[C@@H](C1)C Molport-049-217-723 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.2 C[C@@H]1CN[C@H](C1)C Molport-051-856-586 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.2 C[C@H]1CN[C@@H](C1)C Molport-051-934-352 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.2 C[C@H]1CN[C@H](C1)C Molport-051-788-988 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.14 CC1(CCCN1)C Molport-001-781-707 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.14 CC1(CCCN1)C Molport-002-499-274 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.14 CC1(CCNC1)C Molport-006-703-025 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.14 CC1(CCNC1)C Molport-008-154-356 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.23 CCC1OC1(C)C Molport-036-181-189 [1,0,0,1,0,0|1,1,0]=4 40 B7R1.32 CC1(OC1(C)C)C Molport-002-473-209 [0,0,0,1,1,0|0,1,0]=3 41 B9R1.35 CC(C)C1CNC(C1)C Molport-020-966-629 [0,0,0,1,0,1|2,0,0]=4 42 B9R1.66 CC1CCCC(C1)(C)C Molport-006-115-021 [0,0,0,1,0,1|2,0,0]=4 43 B9R1.1 CC1CCC(CC1)CO Molport-020-349-439 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.1 C[C@H]1CC[C@@H](CC1)CO Molport-039-332-612 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.1 C[C@H]1CC[C@H](CC1)CO Molport-046-930-298 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.10 CC1CCC(CC1)(C)C Molport-028-747-298 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.10 CC1CCC(CC1)(C)N Molport-011-892-584 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.10 CC1CCC(CC1)(C)N Molport-016-635-205 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.10 CC1OCC(CO1)(C)C Molport-019-905-435 [0,1,0,1,0,0|1,1,0]=4 50 B9R1.10 C[C@H]1CC[C@@](CC1)(C)N Molport-047-932-253 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.10 C[C@H]1CC[C@@](CC1)(C)N Molport-047-975-252 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.10 C[C@H]1CC[C@](CC1)(C)N Molport-047-932-250 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.10 C[C@H]1CC[C@](CC1)(C)N Molport-051-574-455 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.69 CC1CCC(C(=O)C1)C Molport-028-747-287 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.69 CC1CCC(C(C1)C)C Molport-003-912-880 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.69 CC1CCC(C(C1)N)C Molport-006-841-199 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.69 CC1CCC(C(C1)O)C Molport-001-792-857 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.125 CC1CCC(C1)(C)CN Molport-051-774-302 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.133 CC1(CC(CN1)CO)C Molport-029-242-205 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.133 CC1(CC(CN1)CO)C Molport-047-107-491 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.133 CC1(CC(CO1)CN)C Molport-028-912-498 [0,1,0,1,0,0|1,1,0]=4 62 B9R1.133 CC1(CC(CO1)CN)C Molport-046-676-239 [0,1,0,1,0,0|1,1,0]=4 63 B9R1.133 CC1(CC(CO1)CO)C Molport-039-138-661 [0,1,0,1,0,0|1,1,0]=4 64 B9R1.133 CC1(CCC(C1)CN)C Molport-026-973-961 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.133 CC1(CCC(C1)CN)C Molport-035-782-919 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.133 CC1(CCC(C1)CO)C Molport-023-610-351 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.133 CC1(CNC(C1)CO)C Molport-029-204-908 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.133 CC1(CN[C@@H](C1)CO)C Molport-035-770-390 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.133 CC1(CN[C@@H](C1)CO)C Molport-046-156-694 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.133 CC1(CN[C@H](C1)CO)C Molport-042-682-426 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.133 CC1(COC(C1)CN)C Molport-044-432-372 [0,1,0,1,0,0|1,1,0]=4 72 B9R1.133 CC1(COC(C1)CO)C Molport-044-202-947 [0,1,0,1,0,0|1,1,0]=4 73 B9R1.133 CNC1CCC(C1)(C)C Molport-035-744-602 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.133 CNC1COC(C1)(C)C Molport-046-625-526 [0,1,0,1,0,0|1,1,0]=4 75 B9R1.133 COC1CNC(C1)(C)C Molport-051-564-754 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.133 CSC1CNC(C1)(C)C Molport-047-740-987 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.36 CC1CC(CC1=O)(C)C Molport-001-781-938 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.36 CC1CC(OC1=O)(C)C Molport-028-950-348 [0,1,0,1,0,0|1,1,0]=4 79 B9R1.36 C[C@H]1CC(CC1=O)(C)C Molport-019-997-566 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.38 CC1CC(=O)C(C1)(C)C Molport-006-125-463 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.38 CC1CC(C(=O)N1)(C)C Molport-003-922-783 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.38 CC1CC(C(=O)O1)(C)C Molport-051-772-797 [0,1,0,1,0,0|1,1,0]=4 83 B9R1.38 C[C@@H]1CC(C(=O)N1)(C)C Molport-005-942-424 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.38 C[C@H]1CC(C(=O)N1)(C)C Molport-047-637-007 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.153 CC1(CC(=O)C1(C)C)C Molport-047-638-451 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.153 CC1(CC(C1(C)C)O)C Molport-047-477-852 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.146 CC1(CC(CO1)(C)N)C Molport-051-774-732 [0,1,0,1,0,0|1,1,0]=4 88 B9R1.146 CC1(CCC(C1)(C)N)C Molport-047-110-357 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.146 CC1(CCC(O1)(C)C)C Molport-003-928-078 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.146 CC1(CNC(C1)(C)C)C Molport-047-782-323 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.146 CC1(COC(C1)(C)C)C Molport-046-588-204 [0,1,0,1,0,0|1,1,0]=4 92 B9R2.49 C1CC2CCC1CN2 Molport-005-232-009 [0,0,0,2,0,0|2,0,0]=4 93 B9R2.49 C1CC2CCC1CN2 Molport-027-845-845 [0,0,0,2,0,0|2,0,0]=4 94 B9R2.49 C1C[C@@H]2CC[C@H]1CN2 Molport-029-944-092 [0,0,0,2,0,0|2,0,0]=4 95 B9R2.110 CC12CCC(C1)CN2 Molport-038-353-224 [0,0,0,2,0,0|2,0,0]=4 96 B9R2.110 CC12CCC(C1)NC2 Molport-051-777-954 [0,0,0,2,0,0|2,0,0]=4 97 B9R2.139 CC1CNC2(C1)CC2 Molport-035-775-221 [0,0,0,2,0,0|2,0,0]=4 98 B9R2.139 C[C@@H]1CC2(CC2)CN1 Molport-051-776-835 [0,0,0,2,0,0|2,0,0]=4