0 B9R1.33 CSCc1nc[nH]c1C Molport-003-802-733 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.33 CSCc1nc[nH]c1C Molport-046-864-927 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.33 Cc1[nH]cnc1CCN Molport-006-803-984 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.33 Cc1[nH]cnc1CCN Molport-020-168-020 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.33 Cc1[nH]cnc1CCN Molport-020-394-337 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.33 Cc1nc[nH]c1CCN Molport-003-983-497 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.33 Cc1nc[nH]c1CCN Molport-047-918-697 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.33 Cc1ncsc1CCO Molport-001-761-367 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.33 Cc1scnc1CCO Molport-029-503-580 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.33 Cn1ccnc1CCO Molport-008-425-853 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.33 Cn1cncc1CCO Molport-020-916-109 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.5 CCCn1ccnc1CO Molport-006-829-269 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.5 OCCn1ccnc1CO Molport-046-736-174 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.29 CCOCc1nc[nH]c1C Molport-028-956-728 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.29 COCCn1ccnc1N Molport-035-782-639 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.29 Cc1ncsc1CCCN Molport-013-781-578 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.29 Cc1ncsc1CCCN Molport-016-582-977 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.29 Cc1ncsc1CCCO Molport-006-118-077 [0,1,0,0,0,0|0,0,0]=1 18 B10R1.29 Cn1ccnc1CCCO Molport-020-916-119 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.64 CC(O)Cn1ccnc1C Molport-013-042-407 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.94 Cc1c(sc[n+]1C)CCO Molport-002-495-640 [0,1,0,0,0,0|0,0,1]=2 21 B10R1.130 Cc1nc(c(s1)CCO)C Molport-022-907-895 [0,1,0,0,0,0|0,0,0]=1 22 B10R1.130 Cc1nc(sc1CCN)N Molport-003-983-513 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.130 Cc1nc(sc1CCN)N Molport-044-831-861 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.149 CC(CO)n1ccnc1C Molport-006-150-822 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.187 Cc1cnc(n1CCN)C Molport-047-133-312 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.187 Cc1ncc(n1CCO)N Molport-053-088-483 [0,1,0,0,0,0|2,0,0]=3 27 B10R2.2 CC1Cc2ccnn2C1 Molport-046-858-544 [0,0,0,1,0,0|3,0,0]=4 28 B10R2.2 NC1Cc2nccn2C1 Molport-022-470-057 [0,0,0,1,0,0|3,0,0]=4 29 B10R2.2 OC1Cc2nccn2C1 Molport-044-723-599 [0,0,0,1,0,0|2,0,0]=3 30 B10R2.2 O[C@@H]1Cc2nccn2C1 Molport-004-774-795 [0,0,0,1,0,0|2,0,0]=3 31 B10R2.2 O[C@H]1Cc2nccn2C1 Molport-049-224-375 [0,0,0,1,0,0|2,0,0]=3 32 B10R2.7 C1CCc2[nH]ccc2C1 Molport-001-779-805 [0,0,0,1,0,0|2,0,1]=4 33 B10R2.7 C1CCc2[nH]cnc2C1 Molport-000-149-839 [0,0,0,1,0,0|2,0,0]=3 34 B10R2.7 C1CCc2[nH]cnc2C1 Molport-046-930-427 [0,0,0,1,0,0|2,0,0]=3 35 B10R2.7 C1CCc2n[nH]cc2C1 Molport-002-130-070 [0,0,0,1,0,0|3,0,0]=4 36 B10R2.7 C1CCn2ccnc2C1 Molport-004-774-653 [0,0,0,1,0,0|3,0,0]=4 37 B10R2.7 C1Cc2[nH]cnc2CN1 Molport-002-372-031 [0,0,0,1,0,0|2,0,0]=3 38 B10R2.7 C1Cc2[nH]cnc2CN1 Molport-009-653-548 [0,0,0,1,0,0|2,0,0]=3 39 B10R2.7 C1Cc2[nH]cnc2CN1 Molport-028-751-562 [0,0,0,1,0,0|2,0,0]=3 40 B10R2.7 C1Cc2[nH]cnc2CN1 Molport-047-588-301 [0,0,0,1,0,0|2,0,0]=3 41 B10R2.7 C1Cc2[nH]cnc2CO1 Molport-039-142-073 [0,0,0,1,0,0|1,0,0]=2 42 B10R2.7 C1Cc2[nH]ncc2CO1 Molport-020-250-060 [0,0,0,1,0,0|3,0,0]=4 43 B10R2.7 C1Cc2[nH]ncc2CO1 Molport-038-935-696 [0,0,0,1,0,0|3,0,0]=4 44 B10R2.7 C1Cc2[nH]nnc2CN1 Molport-020-093-237 [0,0,0,1,0,0|3,0,0]=4 45 B10R2.7 C1Cc2c[nH]nc2CN1 Molport-016-637-672 [0,0,0,1,0,0|3,0,0]=4 46 B10R2.7 C1Cc2c[nH]nc2CN1 Molport-039-331-542 [0,0,0,1,0,0|3,0,0]=4 47 B10R2.7 C1Cc2c[nH]nc2CO1 Molport-009-675-133 [0,0,0,1,0,0|2,0,0]=3 48 B10R2.7 C1Cc2c[nH]nc2CO1 Molport-044-898-575 [0,0,0,1,0,0|2,0,0]=3 49 B10R2.7 C1Cc2cn[nH]c2CO1 Molport-051-793-638 [0,0,0,1,0,0|2,0,1]=4 50 B10R2.7 C1Cc2n[nH]cc2CO1 Molport-044-724-808 [0,0,0,1,0,0|3,0,0]=4 51 B10R2.7 C1Cc2nc[nH]c2CN1 Molport-000-847-454 [0,0,0,1,0,0|2,0,1]=4 52 B10R2.7 C1Cc2nc[nH]c2CN1 Molport-006-717-370 [0,0,0,1,0,0|2,0,1]=4 53 B10R2.7 C1Cc2nc[nH]c2CN1 Molport-008-160-354 [0,0,0,1,0,0|2,0,1]=4 54 B10R2.7 C1Cc2nc[nH]c2CN1 Molport-046-761-292 [0,0,0,1,0,0|2,0,1]=4 55 B10R2.7 C1Cc2nc[nH]c2CO1 Molport-039-139-189 [0,0,0,1,0,0|1,0,1]=3 56 B10R2.7 C1Cc2nc[nH]c2CO1 Molport-047-933-188 [0,0,0,1,0,0|1,0,1]=3 57 B10R2.7 C1Cc2ncsc2CN1 Molport-008-600-926 [0,0,0,1,0,0|2,0,0]=3 58 B10R2.7 C1Cc2ncsc2CN1 Molport-020-014-113 [0,0,0,1,0,0|2,0,0]=3 59 B10R2.7 C1Cc2ncsc2CN1 Molport-028-951-732 [0,0,0,1,0,0|2,0,0]=3 60 B10R2.7 C1Cc2ncsc2CO1 Molport-004-812-718 [0,0,0,1,0,0|2,0,0]=3 61 B10R2.7 C1Cc2ocnc2CN1 Molport-044-754-377 [0,0,0,1,0,0|1,1,0]=3 62 B10R2.7 C1Cc2scnc2CN1 Molport-004-812-614 [0,0,0,1,0,0|1,0,0]=2 63 B10R2.7 C1Cc2scnc2CN1 Molport-035-683-430 [0,0,0,1,0,0|1,0,0]=2 64 B10R2.7 C1Cc2scnc2CN1 Molport-047-934-321 [0,0,0,1,0,0|1,0,0]=2 65 B10R2.7 C1Cn2ccnc2CN1 Molport-000-140-263 [0,0,0,1,0,0|3,0,0]=4 66 B10R2.7 C1Cn2ccnc2CN1 Molport-005-735-794 [0,0,0,1,0,0|3,0,0]=4 67 B10R2.7 C1Cn2ccnc2CN1 Molport-008-425-803 [0,0,0,1,0,0|3,0,0]=4 68 B10R2.7 C1Cn2ccnc2CO1 Molport-039-239-630 [0,0,0,1,0,0|2,0,0]=3 69 B10R2.7 C1Cn2ncnc2CN1 Molport-009-197-617 [0,0,0,1,0,0|3,0,0]=4 70 B10R2.21 Cc1ncsc1C2CC2 Molport-047-925-739 [0,0,0,1,0,0|1,0,0]=2 71 B10R2.21 Cn1nccc1C2CO2 Molport-044-571-658 [0,0,0,1,0,0|2,0,0]=3 72 B10R2.21 Nc1ncsc1C2CC2 Molport-044-432-512 [0,0,0,1,0,0|2,0,0]=3 73 B10R1.4 CCCc1nccnc1C Molport-003-929-062 [0,0,0,0,0,1|2,0,0]=3 74 B9R1.7 CCCc1c[nH]c(=N)s1 Molport-028-751-523 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.7 CCOc1cnc(s1)C Molport-004-812-754 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.7 Cc1nc(c[nH]1)CCO Molport-047-913-693 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.7 Cc1ncc(s1)CCN Molport-014-954-211 [1,1,0,0,0,0|1,0,0]=3 78 B9R1.7 Cc1ncc(s1)CCN Molport-046-071-567 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.7 Cc1ncc(s1)CCO Molport-020-248-493 [1,1,0,0,0,0|0,0,0]=2 80 B9R1.7 Cn1cnc(c1)CCO Molport-029-503-122 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.11 CC(CO)n1ccnc1 Molport-004-774-972 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.12 CNCCc1cnc[nH]1 Molport-028-912-982 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.12 CNCCc1cnc[nH]1 Molport-051-864-481 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.12 OCCCc1c[nH]cn1 Molport-028-744-932 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.12 OCCCc1cnc[nH]1 Molport-038-934-509 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.12 OCCCc1cncs1 Molport-033-482-203 [1,1,0,0,0,0|0,0,0]=2 87 B9R1.12 OCCCn1ccnc1 Molport-002-500-773 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.12 OCCCn1ccnc1 Molport-029-997-318 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.13 C[C@@H](N)Cc1cnc[nH]1 Molport-046-683-702 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.13 C[C@@H](O)Cn1ccnc1 Molport-047-926-339 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.14 CCn1ccnc1CO Molport-004-856-010 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.22 CCc1[nH]c(=O)[nH]c1C Molport-002-320-677 [1,1,0,0,0,0|1,0,1]=4 93 B9R1.22 CCc1[nH]c(=S)[nH]c1C Molport-006-249-374 [1,1,0,0,0,0|1,0,1]=4 94 B9R1.22 CCc1nc([nH]c1C)C Molport-047-607-869 [1,1,0,0,0,0|1,0,1]=4 95 B9R1.22 CCc1sc(=S)[nH]c1C Molport-005-980-545 [1,1,0,0,0,0|0,0,1]=3 96 B9R1.22 Cc1nc(c([nH]1)C)CO Molport-029-279-079 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.22 Cc1nc(c(s1)C)CO Molport-004-812-541 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.22 Cc1nc(c(s1)CO)C Molport-000-142-304 [1,1,0,0,0,0|0,0,0]=2 99 B9R1.41 CC(C)c1scnc1N Molport-038-949-100 [1,1,0,0,0,0|1,0,0]=3 100 B9R1.41 CC(N)c1ncsc1C Molport-039-049-951 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.41 CC(N)c1scnc1C Molport-046-855-920 [1,1,0,0,0,0|0,0,0]=2 102 B9R1.41 CC(O)c1scnc1C Molport-011-284-713 [1,1,0,0,0,0|0,0,0]=2 103 B9R1.132 Cc1c(ncn1C)CO Molport-029-001-479 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.17 CCCCc1nccnc1C Molport-006-121-681 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.17 CCCOc1nccnc1C Molport-052-044-424 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.81 CCCc1ncc(nc1C)C Molport-004-798-724 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.86 CC(C)Cc1nccnc1C Molport-003-960-064 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.193 CC(C)c1nccn1CCO Molport-015-091-608 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.90 CC(C)NCc1[nH]cnc1C Molport-006-828-896 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.90 CC(C)NCc1[nH]cnc1C Molport-019-931-221 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.180 Cc1nc[nH]c1CSCCN Molport-016-583-230 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.125 CC[n+]1csc(c1C)CCO Molport-003-925-388 [0,2,0,0,0,0|0,0,1]=3 113 B11R1.225 CNC(C)c1sc(nc1C)C Molport-012-251-311 [0,2,0,0,0,0|2,0,0]=4 114 B9R2.2 C1CC1c2cnc[nH]2 Molport-039-063-398 [1,0,0,1,0,0|2,0,0]=4 115 B9R2.3 C1Cc2cncn2C1 Molport-042-683-709 [1,0,0,1,0,0|2,0,0]=4 116 B9R2.3 C1Cc2nc[nH]c2C1 Molport-008-420-805 [1,0,0,1,0,0|2,0,0]=4 117 B11R2.20 C1CCc2nccnc2C1 Molport-003-698-672 [0,0,0,1,0,1|2,0,0]=4 118 B11R2.20 C1CCc2ncncc2C1 Molport-006-725-754 [0,0,0,1,0,1|2,0,0]=4 119 B11R2.18 C1CCc2sccc2NC1 Molport-035-765-645 [0,1,0,1,0,0|2,0,0]=4 120 B11R2.18 C1CNCc2sccc2C1 Molport-022-466-125 [0,1,0,1,0,0|2,0,0]=4 121 B11R2.18 C1CNCc2sccc2C1 Molport-035-775-943 [0,1,0,1,0,0|2,0,0]=4 122 B11R2.18 C1Cc2ccsc2CCN1 Molport-022-466-126 [0,1,0,1,0,0|2,0,0]=4 123 B11R2.18 C1Cc2nc[nH]c2CCN1 Molport-028-617-701 [0,1,0,1,0,0|2,0,0]=4 124 B11R2.18 C1Cc2nc[nH]c2CCN1 Molport-039-332-402 [0,1,0,1,0,0|2,0,0]=4 125 B11R2.191 OCC1CCc2n1ccn2 Molport-039-332-432 [0,1,0,1,0,0|2,0,0]=4 126 B11R2.191 OCC1NCc2c1c[nH]n2 Molport-045-989-142 [0,1,0,1,0,0|2,0,0]=4 127 B11R2.191 OC[C@@H]1CCc2n1ccn2 Molport-047-741-052 [0,1,0,1,0,0|2,0,0]=4 128 B11R2.191 OC[C@H]1CCc2n1ccn2 Molport-047-655-536 [0,1,0,1,0,0|2,0,0]=4 129 B11R2.1 Cc1csc2c1CNCC2 Molport-047-770-336 [0,1,0,1,0,0|2,0,0]=4 130 B11R2.1 Cn1cnc2c1CCCC2 Molport-006-734-711 [0,1,0,1,0,0|2,0,0]=4 131 B11R2.1 Cn1cnc2c1CCNC2 Molport-002-511-787 [0,1,0,1,0,0|2,0,0]=4 132 B11R2.1 Cn1cnc2c1CCNC2 Molport-009-757-740 [0,1,0,1,0,0|2,0,0]=4 133 B11R2.1 Cn1cnc2c1CCOC2 Molport-046-024-912 [0,1,0,1,0,0|1,0,0]=3 134 B11R2.1 Nc1cnc2n1CCOC2 Molport-046-687-823 [0,1,0,1,0,0|2,0,0]=4 135 B11R2.15 OCC1Cc2nccn2C1 Molport-051-771-726 [0,1,0,1,0,0|2,0,0]=4