0 B5R0.1 CCC=C(C)C Molport-003-938-589 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 CC1CCCN1 Molport-001-767-569 [0,0,0,1,0,0|2,0,1]=4 2 B6R1.2 CC1CCCN1 Molport-003-985-815 [0,0,0,1,0,0|2,0,1]=4 3 B6R1.2 CC1CCNC1 Molport-000-004-938 [0,0,0,1,0,0|2,0,1]=4 4 B6R1.2 CC1CCNC1 Molport-002-344-429 [0,0,0,1,0,0|2,0,1]=4 5 B6R1.2 CC1CCOC1 Molport-003-003-662 [0,0,0,1,0,0|1,0,2]=4 6 B6R1.2 CC1COCO1 Molport-003-933-210 [0,0,0,1,0,0|0,0,2]=3 7 B6R1.2 C[C@@H]1CCCN1 Molport-001-768-756 [0,0,0,1,0,0|2,0,1]=4 8 B6R1.2 C[C@@H]1CCCN1 Molport-002-499-366 [0,0,0,1,0,0|2,0,1]=4 9 B6R1.2 C[C@@H]1CCNC1 Molport-002-499-367 [0,0,0,1,0,0|2,0,1]=4 10 B6R1.2 C[C@@H]1CCNC1 Molport-028-720-611 [0,0,0,1,0,0|2,0,1]=4 11 B6R1.2 C[C@H]1CCCN1 Molport-001-768-757 [0,0,0,1,0,0|2,0,1]=4 12 B6R1.2 C[C@H]1CCCN1 Molport-002-501-417 [0,0,0,1,0,0|2,0,1]=4 13 B6R1.2 C[C@H]1CCNC1 Molport-002-501-573 [0,0,0,1,0,0|2,0,1]=4 14 B6R1.2 C[C@H]1CCNC1 Molport-028-720-612 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.2 C[C@H]1CCNC1 Molport-046-158-553 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.2 OC1CCCO1 Molport-003-848-086 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.9 CC1OC1(C)C Molport-003-935-924 [0,0,0,1,0,0|1,0,1]=3 18 B6R1.11 CC(C)C1CO1 Molport-006-113-301 [0,0,0,1,0,0|1,0,2]=4 19 B6R1.11 CC(C)[C@@H]1CO1 Molport-046-290-437 [0,0,0,1,0,0|1,0,2]=4 20 B7R0.6 CC(=CCC(=O)O)C Molport-003-662-505 [0,2,0,0,0,0|1,0,1]=4 21 B7R0.6 CC(C)CC=C(C)C Molport-028-747-066 [0,2,0,0,0,0|2,0,0]=4 22 B5R1.3 C=CC1CO1 Molport-001-787-245 [1,0,0,1,0,0|2,0,0]=4 23 B5R1.3 C=C[C@@H]1CO1 Molport-003-925-596 [1,0,0,1,0,0|2,0,0]=4 24 B5R1.3 C=C[C@H]1CO1 Molport-003-927-480 [1,0,0,1,0,0|2,0,0]=4 25 B5R1.5 CC1(CO1)C Molport-000-156-531 [1,0,0,1,0,0|0,0,1]=3 26 B7R1.1 COC1CCCO1 Molport-006-120-366 [0,1,0,1,0,0|1,0,1]=4 27 B7R1.1 NCC1COCO1 Molport-039-241-664 [0,1,0,1,0,0|0,0,2]=4 28 B7R1.1 OCC1CCCO1 Molport-001-782-161 [0,1,0,1,0,0|1,0,1]=4 29 B7R1.1 OCC1COCO1 Molport-003-935-346 [0,1,0,1,0,0|0,0,2]=4 30 B7R1.1 OCC1COCO1 Molport-005-940-711 [0,1,0,1,0,0|0,0,2]=4 31 B7R1.1 OC[C@@H]1CCCO1 Molport-006-708-170 [0,1,0,1,0,0|1,0,1]=4 32 B7R1.1 OC[C@H]1CCCO1 Molport-003-939-601 [0,1,0,1,0,0|1,0,1]=4 33 B7R1.2 CC1=CC(=O)CC1 Molport-001-793-640 [0,1,0,1,0,0|1,0,1]=4 34 B7R1.2 CC1CC(=O)CN1 Molport-038-083-439 [0,1,0,1,0,0|1,0,0]=3 35 B7R1.2 CC1CC(CO1)N Molport-033-484-014 [0,1,0,1,0,0|1,0,1]=4 36 B7R1.2 CC1CC(CO1)N Molport-039-241-666 [0,1,0,1,0,0|1,0,1]=4 37 B7R1.2 CC1CC(CO1)O Molport-047-933-479 [0,1,0,1,0,0|0,0,2]=4 38 B7R1.2 CC1CCC(=O)C1 Molport-002-498-127 [0,1,0,1,0,0|1,0,0]=3 39 B7R1.2 CC1CCC(=O)N1 Molport-003-958-841 [0,1,0,1,0,0|1,0,0]=3 40 B7R1.2 CC1CCC(=O)O1 Molport-003-939-842 [0,1,0,1,0,0|0,0,0]=2 41 B7R1.2 CC1CCC(O1)C Molport-003-940-989 [0,1,0,1,0,0|1,0,1]=4 42 B7R1.2 CC1CNC(=O)C1 Molport-009-172-483 [0,1,0,1,0,0|1,0,0]=3 43 B7R1.2 CC1COC(=O)C1 Molport-037-962-018 [0,1,0,1,0,0|0,0,0]=2 44 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [0,1,0,1,0,0|0,0,0]=2 45 B7R1.2 CC1COC(O1)C Molport-006-115-302 [0,1,0,1,0,0|0,0,2]=4 46 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-801 [0,1,0,1,0,0|1,0,0]=3 47 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-802 [0,1,0,1,0,0|1,0,0]=3 48 B7R1.2 C[C@@H]1CCC(=O)C1 Molport-001-793-705 [0,1,0,1,0,0|1,0,0]=3 49 B7R1.2 C[C@@H]1CCC(=O)N1 Molport-046-857-740 [0,1,0,1,0,0|1,0,0]=3 50 B7R1.2 C[C@@H]1CCC(=O)O1 Molport-003-932-892 [0,1,0,1,0,0|0,0,0]=2 51 B7R1.2 C[C@@H]1CNC(=O)C1 Molport-027-948-657 [0,1,0,1,0,0|1,0,0]=3 52 B7R1.2 C[C@@H]1COC(=O)C1 Molport-006-131-730 [0,1,0,1,0,0|0,0,0]=2 53 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [0,1,0,1,0,0|0,0,0]=2 54 B7R1.2 C[C@H]1CC(=O)CN1 Molport-051-485-873 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.2 C[C@H]1CCC(=O)C1 Molport-046-774-054 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.2 C[C@H]1CCC(=O)N1 Molport-046-703-207 [0,1,0,1,0,0|1,0,0]=3 57 B7R1.2 C[C@H]1CCC(=O)O1 Molport-028-949-582 [0,1,0,1,0,0|0,0,0]=2 58 B7R1.2 C[C@H]1CNC(=O)C1 Molport-027-948-656 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.2 C[C@H]1COC(=O)C1 Molport-039-332-293 [0,1,0,1,0,0|0,0,0]=2 60 B7R1.2 C[C@H]1COC(=O)O1 Molport-003-936-222 [0,1,0,1,0,0|0,0,0]=2 61 B7R1.2 NC1CCC(=O)C1 Molport-051-810-973 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.2 NC1CCC(=O)N1 Molport-051-795-311 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.2 NC1CNC(=O)C1 Molport-004-802-115 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.2 NC1CNC(=O)C1 Molport-021-874-657 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.2 NC1COC(=O)C1 Molport-004-802-188 [0,1,0,1,0,0|1,0,0]=3 66 B7R1.2 NC1COC(=O)C1 Molport-019-990-642 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.2 N[C@@H]1CNC(=O)C1 Molport-004-802-097 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.2 N[C@@H]1CNC(=O)C1 Molport-035-690-468 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.2 N[C@@H]1COC(=O)C1 Molport-023-222-273 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.2 N[C@H]1CNC(=O)C1 Molport-029-944-031 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.2 N[C@H]1CNC(=O)C1 Molport-035-869-625 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.2 N[C@H]1CNC(=O)C1 Molport-039-330-473 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.2 N[C@H]1COC(=O)C1 Molport-019-879-208 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.2 O=C1CCC(=O)O1 Molport-000-871-978 [0,1,0,1,0,0|1,0,1]=4 75 B7R1.2 O=C1COC(=O)C1 Molport-003-928-660 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.2 OC1CCC(=O)C1 Molport-025-714-273 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.2 OC1CCC(=O)N1 Molport-023-298-861 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.2 OC1CCC(=O)O1 Molport-035-944-376 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.2 OC1CNC(=O)C1 Molport-019-904-308 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.2 OC1COC(=O)C1 Molport-003-915-369 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.2 O[C@@H]1CNC(=O)C1 Molport-003-934-341 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.2 O[C@@H]1COC(=O)C1 Molport-001-793-714 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.2 O[C@H]1CNC(=O)C1 Molport-003-934-340 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.2 O[C@H]1COC(=O)C1 Molport-000-003-949 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.3 CC1CCOCO1 Molport-001-759-795 [0,1,0,1,0,0|0,0,2]=4 86 B7R1.4 CC1OCCC1N Molport-004-802-150 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.4 CC1OCCC1N Molport-044-650-620 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.4 CC1OCCC1O Molport-028-950-710 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.4 CC1OCCC1S Molport-003-960-170 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.4 C[C@H]1OCC[C@@H]1N Molport-051-761-637 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.4 C[C@H]1OCC[C@H]1N Molport-038-949-807 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.4 C[C@H]1OCC[C@H]1N Molport-038-949-808 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.20 OC(=O)CC1CO1 Molport-046-857-911 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.32 CC1(OC1(C)C)C Molport-002-473-209 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.23 CC1(OC1C#N)C Molport-000-003-438 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.23 CC1(OC1CO)C Molport-028-750-932 [0,1,0,1,0,0|0,0,2]=4 97 B7R1.23 CC1(O[C@@H]1CO)C Molport-047-639-521 [0,1,0,1,0,0|0,0,2]=4 98 B7R1.23 CC1(O[C@H]1CO)C Molport-047-641-059 [0,1,0,1,0,0|0,0,2]=4 99 B7R1.23 CCC1OC1(C)C Molport-036-181-189 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.14 CC1(OCCO1)C Molport-003-931-939 [0,1,0,1,0,0|0,0,2]=4