0 B8R1.1 CC1CCC(O1)CO Molport-003-894-388 [1,0,0,0,0,0|3,0,0]=4 1 B8R1.1 CN1CCC(C1)CO Molport-003-178-870 [1,0,0,0,0,0|3,0,0]=4 2 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO Molport-009-196-949 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.1 OCC1CC(CN1)O Molport-027-713-914 [1,0,0,0,0,0|0,0,0]=1 4 B8R1.11 CC1CCCC1CN Molport-020-015-542 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.11 CC[C@@H]1CCC[C@H]1N Molport-046-069-156 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.11 NC[C@@H]1CCC[C@H]1F Molport-038-073-825 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.11 N[C@H]1COC[C@@H]1CO Molport-038-074-428 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.11 OC[C@H]1CNC[C@@H]1O Molport-029-997-831 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O Molport-045-901-059 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.50 O=C1OC[C@@H]([C@H]1O)O Molport-035-784-237 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.34 O=C1OC(C(C1O)O)CO Molport-001-785-877 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.34 OC[C@H]1OC([C@H]([C@H]1O)O)O Molport-004-780-317 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O Molport-009-197-695 [0,0,1,0,0,0|1,0,2]=4 14 B8R0.11 CCCNC(CC)CC Molport-029-997-557 [0,0,1,0,0,0|3,0,0]=4 15 B10R2.25 OC1C2CNC(C2)C1O Molport-047-805-380 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.2 N[C@H]1CCO[C@@H]([C@H]1O)CO Molport-047-523-302 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.25 CC1CCC(C(C1)C)CO Molport-000-701-638 [0,0,0,0,0,1|3,0,0]=4 18 B10R1.176 COC1C[C@@H]([C@@H](CO1)O)O Molport-023-219-562 [0,0,0,0,0,1|3,0,0]=4 19 B7R0.2 CN(C)CC(N)CO Molport-038-948-686 [1,0,1,0,0,0|2,0,0]=4 20 B7R0.2 NC(CO)CC(F)F Molport-021-331-693 [1,0,1,0,0,0|2,0,0]=4 21 B7R0.5 CC(C)C(O)CCN Molport-008-643-583 [1,0,1,0,0,0|2,0,0]=4 22 B7R0.10 O=C(CO)[C@@H](O)CO Molport-039-336-944 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.10 O[C@H](CS)[C@@H](O)CS Molport-003-932-853 [1,0,1,0,0,0|1,1,0]=4 24 B7R0.3 CC(CO)NCCO Molport-009-204-662 [1,0,1,0,0,0|0,0,0]=2 25 B7R0.3 CCCNC(C)CO Molport-015-081-622 [1,0,1,0,0,0|1,0,0]=3 26 B7R0.3 CCOCC(O)CN Molport-000-001-192 [1,0,1,0,0,0|2,0,0]=4 27 B7R0.3 CCOCC(O)CN Molport-029-657-436 [1,0,1,0,0,0|2,0,0]=4 28 B7R0.3 CSCCC(O)CN Molport-021-604-943 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.7 CCCC(O)CCO Molport-028-747-679 [1,0,1,0,0,0|1,0,0]=3 30 B7R0.7 CCC[C@@H](O)CCO Molport-044-562-472 [1,0,1,0,0,0|1,0,0]=3 31 B7R0.7 CCC[C@H](N)CCO Molport-027-835-083 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.1 CCCCNCCC Molport-001-790-150 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.1 CCCCNCCO Molport-000-152-572 [1,0,1,0,0,0|1,0,0]=3 34 B7R0.1 CCCCOCCO Molport-001-791-489 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.1 CCCCSCCO Molport-001-791-570 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.1 N#CCCNCCO Molport-008-731-531 [1,0,1,0,0,0|1,0,1]=4 37 B7R0.1 N#CCCNCCO Molport-027-721-578 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.1 NCCCNCCS Molport-029-001-943 [1,0,1,0,0,0|1,1,0]=4 39 B7R0.1 NCCCOCCO Molport-004-373-383 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.1 OCCCNCCO Molport-003-910-318 [1,0,1,0,0,0|0,0,0]=2 41 B7R0.12 CCNC(CC)CC Molport-019-930-976 [1,0,1,0,0,0|2,0,0]=4 42 B7R0.15 CNC(CO)C(=O)O Molport-019-998-723 [1,0,1,0,0,0|0,0,2]=4 43 B7R0.15 CNC(CO)C(C)C Molport-012-794-540 [1,0,1,0,0,0|1,0,0]=3 44 B7R1.1 BrCC1CCCC1 Molport-006-709-634 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.1 C#C[C@@H]1CCCN1 Molport-035-776-851 [2,0,0,0,0,0|1,0,1]=4 46 B7R1.1 CCC1CCCN1 Molport-000-003-688 [2,0,0,0,0,0|1,0,0]=3 47 B7R1.1 ClCC1CCCN1 Molport-035-716-508 [2,0,0,0,0,0|1,0,0]=3 48 B7R1.1 ClCC1CCCO1 Molport-001-780-261 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.1 FCC1CCCN1 Molport-019-930-688 [2,0,0,0,0,0|1,0,0]=3 50 B7R1.1 NCC1CCCC1 Molport-003-732-830 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.1 NCC1CCCO1 Molport-001-759-275 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.1 OCC1C=CCN1 Molport-016-631-209 [2,0,0,0,0,0|0,0,2]=4 53 B7R1.1 OCC1CCCO1 Molport-001-782-161 [2,0,0,0,0,0|1,0,0]=3 54 B7R1.1 OCC1CCNC1 Molport-000-006-170 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.1 OC[C@@H]1CCCO1 Molport-006-708-170 [2,0,0,0,0,0|1,0,0]=3 56 B7R1.1 OC[C@H]1CCCN1 Molport-000-139-019 [2,0,0,0,0,0|0,0,0]=2 57 B7R1.2 N[C@@H]1CC[C@@H](C1)O Molport-023-333-453 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.2 N[C@H]1CC[C@H](C1)O Molport-009-684-879 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.2 O=C1CC(CN1)O Molport-019-904-308 [2,0,0,0,0,0|0,0,2]=4 60 B7R1.4 NC1CCCC1O Molport-016-634-733 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.4 NC1CSCC1O Molport-002-164-888 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.4 N[C@@H]1CCC[C@H]1O Molport-004-802-177 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.4 N[C@@H]1COC[C@H]1O Molport-004-802-243 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.4 N[C@@H]1CSC[C@@H]1O Molport-009-757-699 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.4 N[C@@H]1CSC[C@H]1O Molport-009-757-770 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.4 O=C1NCCC1O Molport-006-701-049 [2,0,0,0,0,0|0,0,2]=4 67 B7R1.4 O=C1NCC[C@@H]1O Molport-002-499-339 [2,0,0,0,0,0|0,0,2]=4 68 B7R1.4 OC1CNCC1O Molport-030-005-526 [2,0,0,0,0,0|0,0,0]=2 69 B7R1.4 OC1COCC1O Molport-046-067-668 [2,0,0,0,0,0|1,0,0]=3 70 B7R1.4 O[C@H]1COC[C@H]1O Molport-003-930-575 [2,0,0,0,0,0|1,0,0]=3 71 B9R0.27 O=C[13C@H](O)[C@@H](O)[C@H](O)CO Molport-051-912-793 [0,1,1,0,0,0|1,0,1]=4 72 B9R0.27 O=[13CH][13C@H](O)[13C@H](O)[13C@H](O)[13CH2]O Molport-051-925-339 [0,1,1,0,0,0|1,0,1]=4 73 B9R0.27 O=[13CH][C@H](O)[C@@H](O)[C@H](O)CO Molport-053-110-425 [0,1,1,0,0,0|1,0,1]=4 74 B9R0.27 O=[13CH][C@H](O)[C@H](O)[C@H](O)CO Molport-051-692-815 [0,1,1,0,0,0|1,0,1]=4 75 B9R0.27 OC[C@@H](O)[C@@H](O)[13C@@H](O)CO Molport-053-110-314 [0,1,1,0,0,0|1,0,0]=3 76 B9R0.27 OC[C@@H](O)[C@@H](O)[C@@H](O)[13CH2]O Molport-051-992-653 [0,1,1,0,0,0|1,0,0]=3 77 B9R0.27 OC[C@H](O)[C@@H](O)[C@H](O)[13CH2]O Molport-053-129-573 [0,1,1,0,0,0|1,0,0]=3 78 B9R0.79 CC(O)C(C)C(N)C(=O)O Molport-003-990-783 [0,1,1,0,0,0|1,0,1]=4 79 B9R0.46 CCCCSCC(O)CO Molport-006-141-602 [0,1,1,0,0,0|2,0,0]=4 80 B9R0.50 CCCCCC(CO)CO Molport-001-766-424 [0,1,1,0,0,0|2,0,0]=4 81 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O Molport-023-219-522 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.35 NC1CNC(C1)C(=O)O Molport-028-600-683 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.133 OCC1CC(CN1)(F)F Molport-028-951-688 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.14 OC[C@@H]1CNC[C@@H]1CO Molport-038-388-281 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.14 OC[C@@H]1CNC[C@H]1CO Molport-029-997-755 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.24 CC1(CCNC1CO)C Molport-029-496-903 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.33 COC[C@H]1CCC[C@H]1N Molport-016-631-038 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.33 NC1CCCC1CCO Molport-028-937-740 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.33 NC1CCCC1CCO Molport-053-131-094 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O Molport-039-016-078 [0,1,0,0,0,1|0,0,0]=2 91 B11R1.278 OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O Molport-003-941-192 [0,1,0,0,0,1|0,0,0]=2 92 B11R1.977 OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)CO Molport-004-959-624 [0,2,0,0,0,0|1,0,0]=3 93 B9R1.69 CC1CC(C(CN1)C)O Molport-000-003-489 [0,0,1,1,0,0|2,0,0]=4 94 B9R1.2 C[C@@H]1CNC[C@H](O1)CO Molport-046-554-276 [0,0,1,1,0,0|1,0,0]=3 95 B9R1.2 C[C@H]1CNC[C@H](O1)CO Molport-046-510-207 [0,0,1,1,0,0|1,0,0]=3 96 B9R1.58 OCCN1CC(C1)CF Molport-045-971-006 [0,0,1,1,0,0|2,0,0]=4 97 B9R1.89 OCC1CNCCOC1 Molport-029-078-269 [0,0,1,1,0,0|1,0,0]=3 98 B9R1.118 CCC1(CCCNC1)O Molport-011-166-987 [0,0,1,1,0,0|2,0,0]=4 99 B9R1.118 OCC1(CCCNC1)O Molport-029-997-835 [0,0,1,1,0,0|1,0,0]=3 100 B9R1.12 OCCNC1CCCC1 Molport-002-506-817 [0,0,1,1,0,0|2,0,0]=4 101 B9R1.120 CC1CCC1(CO)CO Molport-046-071-744 [0,0,1,1,0,0|2,0,0]=4 102 B9R2.68 C1CC2CNC(C1)C2 Molport-051-705-356 [1,0,0,1,0,0|2,0,0]=4 103 B9R2.3 C1CC2CCNC2C1 Molport-044-775-444 [1,0,0,1,0,0|2,0,0]=4 104 B9R2.3 C1CC2COCC2N1 Molport-022-146-646 [1,0,0,1,0,0|1,0,0]=3 105 B9R2.3 C1C[C@H]2OCC[C@H]2N1 Molport-051-588-023 [1,0,0,1,0,0|1,0,0]=3 106 B9R2.53 O[C@@H]1[C@@H]2CNC[C@H]1C2 Molport-046-942-038 [0,0,0,1,1,0|2,0,0]=4 107 B11R2.106 OC1CCNC2C1CCC2 Molport-022-468-313 [0,0,0,1,0,1|2,0,0]=4 108 B11R2.60 N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O Molport-045-901-031 [0,1,0,1,0,0|2,0,0]=4 109 B11R2.60 N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O Molport-047-367-752 [0,1,0,1,0,0|2,0,0]=4 110 B11R2.60 N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O Molport-045-901-035 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.10 CCN1CC(C1)O Molport-020-393-149 [1,0,0,0,1,0|2,0,0]=4 112 B7R1.10 CSC1CC(C1)O Molport-044-636-351 [1,0,0,0,1,0|2,0,0]=4