0 B9R1.38 C=C1OC(=O)OC1(C)C Molport-001-761-602 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.38 CC1(NC(=O)CC1N)C Molport-039-125-892 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.38 CC1(NC(=O)NC1=O)C Molport-001-780-185 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.38 CC1(SC(=S)NC1=O)C Molport-006-128-500 [0,0,0,0,0,0|0,2,2]=4 4 B8R1.18 CC1=C(OC(=N1)O)C Molport-019-938-598 [1,0,0,0,0,0|1,0,2]=4 5 B8R1.18 CC1=C(OC(=N1)S)C Molport-005-311-080 [1,0,0,0,0,0|1,1,1]=4 6 B8R1.18 CC1=C(OC(=O)O1)C Molport-001-767-547 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.18 CC1SC(=NC1=O)N Molport-000-469-365 [1,0,0,0,0,0|1,1,1]=4 8 B8R1.18 CC1SC(=O)NC1=O Molport-023-330-305 [1,0,0,0,0,0|0,1,2]=4 9 B8R1.18 CN1N=C(N=C1O)Br Molport-019-938-526 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.18 O=C1CC(=C(O1)Br)O Molport-006-827-714 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.51 CC1(CC(=O)CO1)C Molport-039-241-837 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.51 CC1(CCC(=O)C1)C Molport-019-796-060 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.51 CC1(CCC(=O)N1)C Molport-001-781-508 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.51 CC1(CNC(=O)C1)C Molport-009-194-686 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.271 CC1=C(C(OC1=O)(C)O)C Molport-020-313-429 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.272 CC1(CC(=O)NC1(C)O)C Molport-001-921-949 [0,1,0,0,0,0|1,0,2]=4 17 B10R1.444 CC1(OC(=O)CC1C#N)C Molport-000-724-501 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.475 C=C1OC(=O)OC1(C)CC Molport-001-758-421 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.475 CCC1(NC(=O)NC1=O)C Molport-001-763-802 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.5 CC(C)OC(=O)CC#N Molport-000-145-962 [0,0,1,0,0,0|2,0,1]=4 21 B8R0.12 CCOC(C)(C)C(=O)O Molport-012-844-190 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.23 CC(C)C(=O)NC(=O)N Molport-020-960-015 [0,0,1,0,0,0|1,0,2]=4 23 B8R0.23 CC(C)C(O)CC(=O)O Molport-008-643-640 [0,0,1,0,0,0|1,0,1]=3 24 B10R1.120 CC1=NNC(=O)OC1(C)C Molport-002-743-075 [0,0,0,0,0,1|1,0,0]=2 25 B10R1.329 CC1(C=C(CC(=S)N1)O)C Molport-046-069-552 [0,0,0,0,0,1|2,1,0]=4 26 B10R1.329 CC1(CC(=CC(=O)N1)O)C Molport-046-069-631 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.329 CC1(CC(=O)C=C(C1)Cl)C Molport-001-768-051 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.329 CC1(CC(=O)C=C(C1)Cl)C Molport-009-760-711 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.329 CC1(CC(=O)C=C(C1)N)C Molport-000-742-541 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.329 CC1(CC(=O)CC(=O)S1)C Molport-002-906-550 [0,0,0,0,0,1|1,1,1]=4 31 B10R1.329 CC1(OC(=O)CC(O1)[O-])C Molport-035-924-481 [0,0,0,0,0,1|1,0,2]=4 32 B10R1.329 CC1=CC(=O)OC(O1)(C)C Molport-003-928-476 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.329 CC1=CC(SC(=N1)N)(C)C Molport-000-717-670 [0,0,0,0,0,1|2,1,0]=4 34 B10R1.329 CC1=CC(SC(=N1)N)(C)C Molport-002-011-657 [0,0,0,0,0,1|2,1,0]=4 35 B10R1.329 CC1=NC(=NC(C1)(C)C)S Molport-003-909-709 [0,0,0,0,0,1|2,1,0]=4 36 B7R0.2 CC(C)C/C(=N/O)/N Molport-005-933-122 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.2 CC(C)OC(=O)CBr Molport-001-791-822 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.2 CC(C)OC(=O)CN Molport-001-792-794 [1,0,1,0,0,0|1,0,1]=4 39 B7R0.7 C/C=C/C(=O)OCC Molport-001-784-290 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.7 CCOC(=O)/C=N/O Molport-030-082-338 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.7 CCOC(=O)N=C=O Molport-001-791-913 [1,0,1,0,0,0|0,0,2]=4 42 B7R0.13 COC(C)(C)C(=O)O Molport-002-683-132 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.6 CC(=O)/C=C/C(C)C Molport-001-766-078 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.6 CC(C)NCC(=O)O Molport-002-472-582 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.6 CC(C)OCC(=O)O Molport-002-683-574 [1,0,1,0,0,0|2,0,0]=4 46 B7R0.6 CC(C)SCC(=O)O Molport-000-679-256 [1,0,1,0,0,0|2,0,0]=4 47 B7R0.9 CC(=O)CC(C)(C)O Molport-001-779-725 [1,0,1,0,0,0|2,0,0]=4 48 B7R1.2 CC1=CN=C(O1)C Molport-006-123-978 [2,0,0,0,0,0|1,0,1]=4 49 B7R1.2 CC1CN=C(O1)N Molport-046-415-786 [2,0,0,0,0,0|1,0,1]=4 50 B7R1.2 CC1CNC(=O)O1 Molport-020-173-108 [2,0,0,0,0,0|0,0,2]=4 51 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [2,0,0,0,0,0|1,0,1]=4 52 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [2,0,0,0,0,0|1,0,1]=4 53 B7R1.2 C[C@H]1CNC(=O)O1 Molport-047-786-354 [2,0,0,0,0,0|0,0,2]=4 54 B7R1.2 O=C1C=C(CO1)O Molport-000-145-961 [2,0,0,0,0,0|1,0,0]=3 55 B7R1.2 O=C1CC(=CO1)O Molport-016-579-189 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.2 O=C1C[C@@H](CO1)O Molport-001-793-714 [2,0,0,0,0,0|1,0,1]=4 57 B9R0.44 CC(C)(C)OC(=O)NC=N Molport-022-520-688 [0,1,1,0,0,0|1,0,1]=4 58 B9R0.53 CC(=O)CC(=O)OC(C)C Molport-001-789-980 [0,1,1,0,0,0|1,0,1]=4 59 B9R0.11 CC(=O)NC(C)(C)C(=O)O Molport-009-676-978 [0,1,1,0,0,0|2,0,0]=4 60 B9R1.22 CC1=NC(=C(O1)C)CO Molport-000-142-778 [1,1,0,0,0,0|1,0,1]=4 61 B9R1.37 CC1=C(C(=O)OC1C)O Molport-003-960-150 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.426 CC1=C(C(=O)OC1(C)C)C#N Molport-002-563-153 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.1375 CC1(OC(=O)N(C1(C)O)N)C Molport-002-730-838 [0,2,0,0,0,0|0,0,2]=4 64 B9R1.19 CC(C)(O)C1=NC=CN1 Molport-021-879-223 [0,0,1,1,0,0|2,0,0]=4 65 B9R1.69 CC1CNC(=NC1=O)O Molport-003-799-605 [0,0,1,1,0,0|1,0,1]=4 66 B7R0.16 C=C(C(=O)O)C(C)C Molport-022-878-877 [0,0,1,0,1,0|1,0,0]=3 67 B7R0.16 CC(C)C(=O)C(=O)[O-] Molport-003-927-545 [0,0,1,0,1,0|0,0,2]=4 68 B7R0.16 CC(C)C(Br)C(=O)O Molport-000-152-206 [0,0,1,0,1,0|1,0,1]=4 69 B7R0.16 CC(C)[C@H](N)[13C](=O)O Molport-051-561-857 [0,0,1,0,1,0|1,0,1]=4 70 B7R0.16 CN(C)C(=O)C(=O)O Molport-000-159-499 [0,0,1,0,1,0|1,0,1]=4 71 B7R0.16 [13CH3]C([13CH3])C(=O)C(=O)[O-] Molport-051-987-958 [0,0,1,0,1,0|0,0,2]=4 72 B9R0.48 CC=CC(=O)OCC(C)C Molport-006-111-965 [0,0,1,0,0,1|2,0,0]=4 73 B9R0.7 CC(=O)N/N=C(\C)/C(C)C Molport-001-489-283 [0,0,1,0,0,1|2,0,0]=4 74 B9R0.7 CC(C)C(=O)NCC(=O)O Molport-003-739-435 [0,0,1,0,0,1|0,0,2]=4 75 B9R1.10 CC1(C=CC(=O)CC1)C Molport-002-498-166 [1,0,0,0,0,1|2,0,0]=4 76 B9R1.10 CC1(OCC(=O)CO1)C Molport-000-882-246 [1,0,0,0,0,1|2,0,0]=4