0 B10R1.4 CCCc1nccnc1C Molport-003-929-062 [0,1,0,0,0,0|1,0,0]=2 1 B10R1.18 CC(C)Cc1cnccn1 Molport-005-935-762 [0,1,0,0,0,0|1,0,0]=2 2 B8R1.8 CCCc1ncc[nH]1 Molport-005-933-441 [0,0,0,0,1,0|1,0,0]=2 3 B9R1.7 CCC[n+]1ccn(c1)C Molport-028-617-336 [0,1,0,0,1,0|2,0,0]=4 4 B9R1.7 CCC[n+]1ccn(c1)C Molport-046-682-925 [0,1,0,0,1,0|2,0,0]=4 5 B9R1.7 CCC[n+]1ccn(c1)C Molport-046-934-393 [0,1,0,0,1,0|2,0,0]=4 6 B9R1.7 CCCc1c[nH]c(=N)s1 Molport-028-751-523 [0,1,0,0,1,0|2,0,0]=4 7 B9R1.7 CCCc1c[nH]c(=O)[nH]1 Molport-044-730-173 [0,1,0,0,1,0|1,0,1]=4 8 B9R1.7 CCCc1nc(c[nH]1)C Molport-000-004-935 [0,1,0,0,1,0|1,0,0]=3 9 B9R1.7 CCCc1ncc(s1)N Molport-004-812-637 [0,1,0,0,1,0|1,0,0]=3 10 B9R1.7 CCCc1ncc(s1)N Molport-046-148-567 [0,1,0,0,1,0|1,0,0]=3 11 B9R1.7 CCCn1cc[n+](c1)C Molport-035-759-298 [0,1,0,0,1,0|2,0,0]=4 12 B9R1.7 CCCn1cnc(c1)N Molport-046-142-076 [0,1,0,0,1,0|2,0,0]=4 13 B9R1.7 CNCc1cn(cn1)C Molport-022-146-849 [0,1,0,0,1,0|2,0,0]=4 14 B9R1.7 CNCc1nc(c[nH]1)C Molport-001-794-984 [0,1,0,0,1,0|2,0,0]=4 15 B9R1.7 CNCc1nc(c[nH]1)C Molport-029-998-235 [0,1,0,0,1,0|2,0,0]=4 16 B9R1.7 COCc1cn(cn1)C Molport-038-267-020 [0,1,0,0,1,0|2,0,0]=4 17 B9R1.7 Cc1c[nH]c(n1)CCN Molport-001-794-860 [0,1,0,0,1,0|2,0,0]=4 18 B9R1.7 Cc1c[nH]c(n1)CCN Molport-016-575-254 [0,1,0,0,1,0|2,0,0]=4 19 B9R1.7 Cc1cnc([nH]1)CCN Molport-049-232-304 [0,1,0,0,1,0|2,0,0]=4 20 B9R1.7 Cc1cnc(s1)CCN Molport-002-683-134 [0,1,0,0,1,0|2,0,0]=4 21 B9R1.7 Cc1cnc(s1)CCN Molport-019-931-262 [0,1,0,0,1,0|2,0,0]=4 22 B9R1.7 Cc1nc(c[nH]1)CCN Molport-016-899-695 [0,1,0,0,1,0|2,0,0]=4 23 B9R1.7 Cc1nc(c[nH]1)CCO Molport-047-913-693 [0,1,0,0,1,0|2,0,0]=4 24 B9R1.7 Cn1cnc(c1)CCN Molport-003-958-757 [0,1,0,0,1,0|2,0,0]=4 25 B9R1.7 Cn1cnc(c1)CCN Molport-004-946-867 [0,1,0,0,1,0|2,0,0]=4 26 B9R1.7 Cn1cnc(c1)CCN Molport-006-803-985 [0,1,0,0,1,0|2,0,0]=4 27 B9R1.7 Cn1cnc(c1)CCN Molport-051-776-635 [0,1,0,0,1,0|2,0,0]=4 28 B9R1.7 Cn1cnc(c1)CCO Molport-029-503-122 [0,1,0,0,1,0|2,0,0]=4 29 B9R1.11 CC(CN)c1c[nH]cn1 Molport-044-623-395 [0,1,0,0,1,0|2,0,0]=4 30 B9R1.11 CC(CN)c1ncc[nH]1 Molport-046-141-617 [0,1,0,0,1,0|2,0,0]=4 31 B9R1.11 CC(CN)c1nccs1 Molport-003-738-588 [0,1,0,0,1,0|2,0,0]=4 32 B9R1.11 CC(CO)c1ncc[nH]1 Molport-038-942-259 [0,1,0,0,1,0|2,0,0]=4 33 B9R1.11 CCC(C)c1nccs1 Molport-005-940-407 [0,1,0,0,1,0|1,0,0]=3 34 B9R1.11 CCC(N)c1cscn1 Molport-046-851-564 [0,1,0,0,1,0|1,0,0]=3 35 B9R1.11 CCC(N)c1ncc[nH]1 Molport-023-198-662 [0,1,0,0,1,0|1,0,0]=3 36 B9R1.11 CCC(N)c1nccs1 Molport-003-738-242 [0,1,0,0,1,0|1,0,0]=3 37 B9R1.11 CCC(N)c1nccs1 Molport-019-931-296 [0,1,0,0,1,0|1,0,0]=3 38 B9R1.11 CCC(N)c1nccs1 Molport-047-741-579 [0,1,0,0,1,0|1,0,0]=3 39 B9R1.11 CCC(O)c1ncc[nH]1 Molport-027-632-000 [0,1,0,0,1,0|1,0,0]=3 40 B9R1.11 CCC(O)c1nccs1 Molport-004-812-939 [0,1,0,0,1,0|1,0,0]=3 41 B9R1.11 CC[C@H](C)c1nccs1 Molport-051-570-647 [0,1,0,0,1,0|1,0,0]=3 42 B9R1.11 CNC(C)c1cscn1 Molport-006-829-027 [0,1,0,0,1,0|2,0,0]=4 43 B9R1.11 CNC(C)c1nccs1 Molport-004-812-619 [0,1,0,0,1,0|2,0,0]=4 44 B9R1.11 CNC(C)c1nccs1 Molport-047-777-595 [0,1,0,0,1,0|2,0,0]=4 45 B9R1.12 CCCCc1ncc[nH]1 Molport-005-941-725 [0,1,0,0,1,0|1,0,0]=3 46 B9R1.12 CCOCn1ccnc1 Molport-006-715-265 [0,1,0,0,1,0|2,0,0]=4 47 B9R1.12 CNCCc1c[nH]cn1 Molport-003-983-643 [0,1,0,0,1,0|1,0,0]=3 48 B9R1.12 CNCCc1cnc[nH]1 Molport-028-912-982 [0,1,0,0,1,0|1,0,1]=4 49 B9R1.12 CNCCc1cnc[nH]1 Molport-051-864-481 [0,1,0,0,1,0|1,0,1]=4 50 B9R1.12 NCCCc1c[nH]cn1 Molport-044-195-723 [0,1,0,0,1,0|1,0,0]=3 51 B9R1.12 NCCCc1ncc[nH]1 Molport-012-002-715 [0,1,0,0,1,0|1,0,0]=3 52 B9R1.12 NCCCc1ncc[nH]1 Molport-023-334-823 [0,1,0,0,1,0|1,0,0]=3 53 B9R1.12 NCCCn1ccnc1 Molport-001-791-771 [0,1,0,0,1,0|2,0,0]=4 54 B9R1.12 OCCCc1c[nH]cn1 Molport-028-744-932 [0,1,0,0,1,0|1,0,0]=3 55 B9R1.12 OCCCc1cnc[nH]1 Molport-038-934-509 [0,1,0,0,1,0|1,0,1]=4 56 B9R1.12 OCCCc1cncs1 Molport-033-482-203 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.12 OCCCc1ncc[nH]1 Molport-046-699-577 [0,1,0,0,1,0|1,0,0]=3 58 B9R1.12 OCCCn1ccnc1 Molport-002-500-773 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.12 OCCCn1ccnc1 Molport-029-997-318 [0,1,0,0,1,0|2,0,0]=4 60 B9R1.13 CC(C)Cc1ncc[nH]1 Molport-006-132-360 [0,1,0,0,1,0|1,0,0]=3 61 B9R1.13 CC(C)Sc1c[nH]cn1 Molport-047-593-562 [0,1,0,0,1,0|2,0,0]=4 62 B9R1.13 CC(N)Cc1c[nH]cn1 Molport-022-657-306 [0,1,0,0,1,0|1,0,0]=3 63 B9R1.13 CC(N)Cc1c[nH]cn1 Molport-042-620-575 [0,1,0,0,1,0|1,0,0]=3 64 B9R1.13 CC(N)Cn1ccnc1 Molport-001-760-323 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.13 CC(N)Cn1ccnc1 Molport-002-742-959 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.13 CC(O)Cc1ncc[nH]1 Molport-014-002-911 [0,1,0,0,1,0|1,0,0]=3 67 B9R1.13 CC(O)Cc1ncc[nH]1 Molport-023-247-064 [0,1,0,0,1,0|1,0,0]=3 68 B9R1.13 CN(C)Cc1c[nH]cn1 Molport-038-266-741 [0,1,0,0,1,0|2,0,0]=4 69 B9R1.13 CN(C)Cc1cocn1 Molport-051-779-539 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 Molport-003-824-922 [0,1,0,0,1,0|1,0,0]=3 71 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 Molport-003-941-593 [0,1,0,0,1,0|1,0,0]=3 72 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 Molport-039-139-885 [0,1,0,0,1,0|1,0,0]=3 73 B9R1.13 C[C@@H](N)Cc1cnc[nH]1 Molport-046-683-702 [0,1,0,0,1,0|1,0,1]=4 74 B9R1.13 C[C@@H](O)Cn1ccnc1 Molport-047-926-339 [0,1,0,0,1,0|2,0,0]=4 75 B9R1.13 C[C@H](N)Cc1c[nH]cn1 Molport-003-983-622 [0,1,0,0,1,0|1,0,0]=3 76 B9R1.13 C[C@H](N)Cc1c[nH]cn1 Molport-035-936-385 [0,1,0,0,1,0|1,0,0]=3 77 B9R1.13 C[C@H](N)Cc1c[nH]cn1 Molport-047-933-189 [0,1,0,0,1,0|1,0,0]=3 78 B9R1.33 CSCc1nc[nH]c1C Molport-003-802-733 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.33 CSCc1nc[nH]c1C Molport-046-864-927 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.33 Cc1[nH]cnc1CCN Molport-006-803-984 [0,1,0,0,1,0|2,0,0]=4 81 B9R1.33 Cc1[nH]cnc1CCN Molport-020-168-020 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.33 Cc1[nH]cnc1CCN Molport-020-394-337 [0,1,0,0,1,0|2,0,0]=4 83 B9R1.33 Cc1scnc1CCO Molport-029-503-580 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.33 Cn1ccnc1CCO Molport-008-425-853 [0,1,0,0,1,0|2,0,0]=4 85 B11R1.81 CCCc1ncc(nc1C)C Molport-004-798-724 [0,2,0,0,0,0|1,0,0]=3 86 B11R1.17 CCCCc1nccnc1C Molport-006-121-681 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.17 CCCOc1nccnc1C Molport-052-044-424 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.41 CCOc1nccnc1CC Molport-019-996-228 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.86 CC(C)Cc1ncc[nH]c1=O Molport-002-506-737 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.86 CC(C)Cc1nccnc1C Molport-003-960-064 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.86 CC(C)Cc1nccnc1O Molport-022-367-901 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.86 CC(C)Oc1nccnc1C Molport-006-145-534 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.24 CCCOc1cncc(n1)C Molport-003-891-633 [0,2,0,0,0,0|1,0,0]=3 94 B11R1.7 CC(C)(CN)c1cnccn1 Molport-008-512-880 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.28 CCCCCc1cnccn1 Molport-003-849-829 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.28 OCCCCc1cnccn1 Molport-039-139-404 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.40 CNC(C)Cc1cnccn1 Molport-004-853-294 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.91 CC(C)CCc1cnccn1 Molport-044-586-669 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.91 CN(C)CCc1cnccn1 Molport-003-913-390 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.91 CN(C)CCc1cnccn1 Molport-042-666-213 [0,2,0,0,0,0|1,0,0]=3 101 B9R2.2 C1CC1c2c[nH]cn2 Molport-035-941-949 [0,0,0,1,1,0|1,0,0]=3 102 B9R2.2 C1CC1c2cnc[nH]2 Molport-039-063-398 [0,0,0,1,1,0|1,0,1]=4 103 B9R2.2 C1CC1c2ncc[nH]2 Molport-020-002-238 [0,0,0,1,1,0|1,0,0]=3 104 B9R2.3 C1Cc2c[nH]nc2C1 Molport-015-161-092 [0,0,0,1,1,0|1,0,0]=3 105 B9R2.3 C1Cc2c[nH]nc2C1 Molport-023-222-385 [0,0,0,1,1,0|1,0,0]=3 106 B9R2.3 C1Cc2cncn2C1 Molport-042-683-709 [0,0,0,1,1,0|1,0,1]=4 107 B9R2.3 C1Cc2nc[nH]c2C1 Molport-008-420-805 [0,0,0,1,1,0|1,0,0]=3 108 B9R2.3 C1Cc2nccn2C1 Molport-009-197-061 [0,0,0,1,1,0|1,0,0]=3 109 B9R2.3 C1Cn2ccc[n+]2C1 Molport-019-918-432 [0,0,0,1,1,0|1,0,1]=4 110 B9R2.3 C1Cn2ccc[n+]2C1 Molport-023-282-341 [0,0,0,1,1,0|1,0,1]=4 111 B11R2.20 C1CCc2nccnc2C1 Molport-003-698-672 [0,1,0,1,0,0|1,0,0]=3 112 B11R2.20 C1CCc2ncncc2C1 Molport-006-725-754 [0,1,0,1,0,0|1,0,0]=3 113 B11R2.1 CC1CCc2c1nccn2 Molport-003-960-089 [0,1,0,1,0,0|1,0,0]=3