0 B8R1.1 CC[n+]1ccn(c1)C Molport-009-756-304 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC[n+]1ccn(c1)C Molport-019-905-231 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC[n+]1ccn(c1)C Molport-028-746-209 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC[n+]1ccn(c1)C Molport-028-747-166 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CC[n+]1ccn(c1)C Molport-044-562-209 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CC[n+]1ccn(c1)C Molport-046-195-988 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CC[n+]1ccn(c1)C Molport-049-248-103 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CC[n+]1ccn(c1)C Molport-051-929-009 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CCc1cnc([nH]1)C Molport-036-201-867 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.1 CCc1nc(c[nH]1)C Molport-000-141-380 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.1 CCc1ncc([nH]1)C Molport-016-891-219 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.1 CCn1cc[n+](c1)C Molport-003-928-924 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CCn1cc[n+](c1)C Molport-003-935-437 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CCn1cc[n+](c1)C Molport-003-936-950 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CCn1cc[n+](c1)C Molport-003-939-628 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CCn1cc[n+](c1)C Molport-038-941-737 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CCn1cc[n+](c1)C Molport-039-323-694 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CCn1cc[n+](c1)C Molport-044-723-567 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CCn1cc[n+](c1)C Molport-046-156-835 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CCn1cc[n+](c1)C Molport-046-933-358 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CCn1cc[n+](c1)C Molport-047-971-095 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CCn1cc[n+](c1)C Molport-047-971-460 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CCn1cc[n+](c1)C Molport-053-106-120 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CCn1cnc(c1)C Molport-039-049-983 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.7 CCCc1nc(c[nH]1)C Molport-000-004-935 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.7 CCCc1ncc(s1)N Molport-004-812-637 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.7 CCCc1ncc(s1)N Molport-046-148-567 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.7 CCOc1cnc(s1)C Molport-004-812-754 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.7 CNCc1cn(cn1)C Molport-022-146-849 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.7 CNCc1nc(c[nH]1)C Molport-001-794-984 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.7 CNCc1nc(c[nH]1)C Molport-029-998-235 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.7 COCc1cn(cn1)C Molport-038-267-020 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.7 Cc1c[nH]c(n1)CCN Molport-001-794-860 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.7 Cc1c[nH]c(n1)CCN Molport-016-575-254 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.7 Cc1cnc([nH]1)CCN Molport-049-232-304 [0,1,0,0,0,0|1,0,1]=3 35 B9R1.7 Cc1cnc(s1)CCN Molport-002-683-134 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.7 Cc1cnc(s1)CCN Molport-019-931-262 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.7 Cc1nc(c[nH]1)CCN Molport-016-899-695 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.7 Cc1nc(c[nH]1)CCO Molport-047-913-693 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.7 Cc1ncc(s1)CCN Molport-014-954-211 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.7 Cc1ncc(s1)CCN Molport-046-071-567 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.7 Cc1ncc(s1)CCO Molport-020-248-493 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.7 Cn1cnc(c1)CCN Molport-003-958-757 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.7 Cn1cnc(c1)CCN Molport-004-946-867 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.7 Cn1cnc(c1)CCN Molport-006-803-985 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.7 Cn1cnc(c1)CCN Molport-051-776-635 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.7 Cn1cnc(c1)CCO Molport-029-503-122 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.21 CCc1c[nH]c(n1)CN Molport-044-511-892 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.21 CCc1c[nH]c(n1)CO Molport-042-623-070 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.21 CCc1cnc(s1)CO Molport-013-468-292 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.21 CCc1csc(n1)CO Molport-013-468-288 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.21 CCc1nc(c[nH]1)CN Molport-044-586-605 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.21 CCc1ncc([nH]1)CO Molport-000-003-600 [0,1,0,0,0,0|1,0,1]=3 53 B9R1.22 CCc1nc([nH]c1C)C Molport-047-607-869 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.22 Cc1cn(c(n1)CO)C Molport-038-262-175 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.22 Cc1nc(c([nH]1)C)CN Molport-044-591-528 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.22 Cc1nc(c([nH]1)C)CO Molport-029-279-079 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.22 Cc1nc(c(s1)C)CO Molport-004-812-541 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.23 Cc1nc([nH]c1C)CN Molport-023-198-190 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.23 Cc1nc([nH]c1C)CO Molport-006-830-765 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.23 Cc1nc(cn1C)CO Molport-029-279-080 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.23 Cc1nc(sc1C)CO Molport-006-830-788 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.23 Cc1nc(sc1C)CO Molport-029-997-690 [0,1,0,0,0,0|1,0,0]=2 63 B9R1.35 CC(C)c1cn(cn1)C Molport-004-774-797 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.35 CC(C)c1csc(n1)N Molport-002-470-143 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.35 CC(C)c1csc(n1)N Molport-016-899-756 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.35 CC(C)c1nc(c[nH]1)C Molport-039-139-085 [0,1,0,0,0,0|1,0,0]=2 67 B9R1.35 CC(C)c1ncc([nH]1)C Molport-046-939-651 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.35 CC(C)c1ncc(s1)N Molport-004-812-618 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.35 CC(N)c1cn(cn1)C Molport-046-688-100 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.35 CC(N)c1cn(cn1)C Molport-047-589-873 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.35 CC(N)c1cnc(s1)C Molport-003-756-945 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.35 CC(N)c1csc(n1)C Molport-001-794-980 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.35 CC(N)c1csc(n1)C Molport-008-383-010 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.35 CC(N)c1nc(c[nH]1)C Molport-016-631-629 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.35 CC(N)c1nc(c[nH]1)C Molport-029-998-236 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.35 CC(N)c1nc(c[nH]1)C Molport-038-935-715 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.35 CC(N)c1ncc(s1)C Molport-003-752-508 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.35 CC(N)c1ncc(s1)C Molport-019-931-251 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.35 CC(O)c1cn(cn1)C Molport-021-802-740 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.35 CC(O)c1nc(cs1)C Molport-006-831-277 [0,1,0,0,0,0|0,0,0]=1 81 B9R1.35 CC(O)c1ncc(s1)C Molport-006-831-278 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.35 C[C@@H](O)c1csc(n1)C Molport-011-138-827 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.35 C[C@H](N)c1csc(n1)C Molport-027-713-895 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.35 C[C@H](O)c1csc(n1)C Molport-011-138-828 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.132 Cc1cnc(n1C)CO Molport-004-774-937 [0,1,0,0,0,0|2,0,1]=4 86 B8R1.7 CC(C)c1c[nH]cn1 Molport-028-747-057 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.7 CC(C)c1cncs1 Molport-027-835-199 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.7 CC(C)c1ncc[nH]1 Molport-001-791-864 [1,1,0,0,0,0|1,0,0]=3 89 B8R1.8 CCCc1ncc[nH]1 Molport-005-933-441 [1,1,0,0,0,0|1,0,0]=3 90 B8R1.18 Cc1nc(c([nH]1)C)C Molport-003-811-796 [1,1,0,0,0,0|1,0,0]=3 91 B8R1.18 Cc1nc(c([nH]1)C)C Molport-044-422-934 [1,1,0,0,0,0|1,0,0]=3 92 B8R1.50 Cc1cnc(n1C)C Molport-047-606-559 [1,1,0,0,0,0|1,0,1]=4 93 B8R1.50 Cc1csc([n+]1C)C Molport-001-763-609 [1,1,0,0,0,0|0,0,1]=3 94 B8R1.50 Cc1sc[n+](c1C)C Molport-002-486-977 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.13 CC(C)c1cnc(cn1)C Molport-046-590-398 [0,1,0,0,0,1|1,0,0]=3 96 B10R1.25 CCc1ncc(nc1C)C Molport-002-462-003 [0,1,0,0,0,1|1,0,0]=3 97 B10R1.25 CCc1ncc(nc1C)C Molport-003-960-067 [0,1,0,0,0,1|1,0,0]=3 98 B10R1.176 CCc1cnc(c(n1)C)C Molport-003-984-637 [0,1,0,0,0,1|1,0,0]=3 99 B10R1.30 CCc1nc(cnc1C)C Molport-006-120-301 [0,1,0,0,0,1|1,0,0]=3 100 B10R1.172 CCc1cncc(n1)CC Molport-028-747-650 [0,1,0,0,0,1|1,0,0]=3 101 B10R1.14 CC(CN)c1nc(cs1)C Molport-003-738-589 [0,2,0,0,0,0|0,0,0]=2 102 B10R1.14 CC(CN)c1ncc(s1)C Molport-003-752-509 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.14 CCC(C)c1csc(n1)C Molport-035-368-020 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.14 CCC(N)c1nc(c[nH]1)C Molport-016-631-507 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.14 CCC(N)c1nc(c[nH]1)C Molport-029-997-887 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.14 CCC(N)c1ncc(s1)C Molport-012-088-315 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.14 CCC(N)c1ncc(s1)C Molport-051-783-055 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.14 CNC(C)c1nc(c[nH]1)C Molport-051-773-180 [0,2,0,0,0,0|1,0,0]=3 109 B10R1.14 Cc1nc(cs1)C(N)CN Molport-028-949-110 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.16 CNCCc1ncc(s1)C Molport-013-352-322 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.16 CNCCc1ncc(s1)C Molport-051-782-957 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.16 Cc1nc(cs1)CCCN Molport-020-916-062 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.54 CC(O)Cc1csc(n1)C Molport-014-800-660 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.54 CC(O)Cc1nc(cs1)C Molport-014-797-563 [0,2,0,0,0,0|0,0,0]=2 115 B10R1.94 Cc1c(sc[n+]1C)CCO Molport-002-495-640 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.96 CCCc1nc(c[nH]1)OC Molport-047-916-514 [0,2,0,0,0,0|1,0,0]=3 117 B10R1.96 CCCc1ncc([nH]1)OC Molport-052-005-984 [0,2,0,0,0,0|1,0,1]=4 118 B10R1.96 CCOc1ncc(s1)CO Molport-004-812-512 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.96 CCc1nc(c[nH]1)CCN Molport-044-556-898 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.96 CCc1ncc([nH]1)CCN Molport-028-913-002 [0,2,0,0,0,0|1,0,1]=4 121 B10R1.96 COCc1nc(c[nH]1)CN Molport-047-570-410 [0,2,0,0,0,0|1,0,0]=3 122 B10R1.96 COCc1nc(c[nH]1)CO Molport-014-652-452 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.96 COCc1ncc(s1)CO Molport-022-804-672 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.96 NCCc1nc(c[nH]1)CO Molport-051-778-262 [0,2,0,0,0,0|1,0,0]=3 125 B10R1.131 Cc1nc(cn1C)CCN Molport-023-282-472 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.131 Cc1nc(sc1Cl)CCN Molport-008-382-947 [0,2,0,0,0,0|0,0,0]=2 127 B10R1.31 CC(C)c1nc(c[nH]1)CN Molport-044-730-205 [0,2,0,0,0,0|1,0,0]=3 128 B10R1.31 CC(C)c1nc(cs1)CO Molport-000-139-771 [0,2,0,0,0,0|0,0,0]=2 129 B10R1.31 CC(C)c1ncc(s1)CN Molport-047-408-363 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.31 CC(C)c1ncc(s1)CN Molport-047-801-129 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.31 CC(C)c1ncc(s1)CO Molport-004-792-830 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.31 CCc1cnc(s1)C(C)N Molport-003-752-413 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.35 COc1nc(sc1C)CO Molport-044-436-219 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.32 CCc1nc(sc1CN)C Molport-008-154-128 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.32 CCc1nc(sc1CO)C Molport-016-583-343 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.32 CCn1cc(nc1CO)C Molport-038-262-589 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.34 Cc1nc(n(c1C)C)CN Molport-006-830-786 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.34 Cc1nc(n(c1C)C)CN Molport-028-956-707 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.34 Cc1nc(n(c1C)C)CO Molport-006-829-103 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.59 CC(N)c1nc(sc1C)C Molport-016-583-465 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.58 CC(C)c1nc(c([nH]1)C)C Molport-046-938-934 [0,2,0,0,0,0|1,0,0]=3 142 B10R1.58 CC(N)c1nc(c(s1)C)C Molport-003-738-214 [0,2,0,0,0,0|0,0,0]=2 143 B10R1.58 CC(N)c1nc(c(s1)C)C Molport-029-997-744 [0,2,0,0,0,0|0,0,0]=2 144 B10R1.58 CC(O)c1nc(c(s1)C)C Molport-006-830-795 [0,2,0,0,0,0|0,0,0]=2 145 B10R1.55 Cc1c[nH]c(n1)C(C)(C)C Molport-046-203-702 [0,2,0,0,0,0|1,0,0]=3 146 B10R1.55 Cc1c[nH]c(n1)C(C)(C)N Molport-039-240-619 [0,2,0,0,0,0|1,0,0]=3 147 B10R1.55 Cc1cnc(s1)C(C)(C)N Molport-012-088-323 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.55 Cc1cnc(s1)C(C)(C)O Molport-021-879-177 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.55 Cc1csc(n1)C(C)(C)N Molport-008-488-894 [0,2,0,0,0,0|0,0,0]=2 150 B10R1.55 Cc1csc(n1)C(C)(C)N Molport-009-204-687 [0,2,0,0,0,0|0,0,0]=2 151 B10R1.55 Cc1csc(n1)C(C)(C)O Molport-021-879-175 [0,2,0,0,0,0|0,0,0]=2 152 B10R2.2 Cc1nc2c(o1)CNC2 Molport-006-727-855 [0,1,0,1,0,0|2,0,0]=4 153 B10R2.2 Cc1nc2c(s1)CNC2 Molport-006-727-715 [0,1,0,1,0,0|2,0,0]=4 154 B10R2.2 Cc1nc2c(s1)CNC2 Molport-022-468-542 [0,1,0,1,0,0|2,0,0]=4 155 B10R2.2 Cc1nc2c(s1)CNC2 Molport-023-334-196 [0,1,0,1,0,0|2,0,0]=4 156 B10R2.2 Cc1nc2c(s1)CNC2 Molport-044-202-715 [0,1,0,1,0,0|2,0,0]=4 157 B10R2.2 Cc1nc2c(s1)CNC2 Molport-046-931-263 [0,1,0,1,0,0|2,0,0]=4 158 B10R2.2 Cn1cc2c(n1)CNC2 Molport-004-785-830 [0,1,0,1,0,0|2,0,0]=4 159 B10R2.2 Cn1cc2c(n1)CNC2 Molport-044-555-756 [0,1,0,1,0,0|2,0,0]=4 160 B10R2.2 Cn1cc2c(n1)CNC2 Molport-046-857-426 [0,1,0,1,0,0|2,0,0]=4