0 B11R1.28 CCCCCc1cnccn1 Molport-003-849-829 [1,0,0,0,0,0|3,0,0]=4 1 B11R1.40 CNC(C)Cc1cnccn1 Molport-004-853-294 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.44 CCCCN(C)Cc1ccccc1 Molport-046-845-361 [0,1,0,0,0,0|2,0,0]=3 3 B13R2.15 CN1CCCC1c2cccnc2 Molport-003-849-363 [0,0,0,1,0,0|3,0,0]=4 4 B13R2.15 CN1CCCC1c2cccnc2 Molport-003-849-384 [0,0,0,1,0,0|3,0,0]=4 5 B13R2.15 CN1CCCC1c2cccnc2 Molport-035-395-827 [0,0,0,1,0,0|3,0,0]=4 6 B13R2.15 CN1CCC[C@@H]1c2cccnc2 Molport-003-849-369 [0,0,0,1,0,0|3,0,0]=4 7 B13R2.15 CN1CCC[C@@H]1c2cccnc2 Molport-035-813-689 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.15 CN1CCC[C@H]1c2cccnc2 Molport-000-744-731 [0,0,0,1,0,0|3,0,0]=4 9 B13R2.15 CN1CCC[C@H]1c2cccnc2 Molport-039-140-306 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.15 CN1CCC[C@H]1c2cccnc2 Molport-051-989-714 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.15 NC1CCCC1c2ccccn2 Molport-044-429-033 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.15 OC1CCCC1c2ccccn2 Molport-039-332-406 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.15 OC1CCCC1c2cccnc2 Molport-013-883-273 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.15 O[C@@H]1CCC[C@H]1c2ccccn2 Molport-038-949-852 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.64 C(C1CCCN1)c2ccccn2 Molport-000-147-570 [0,0,0,1,0,0|1,0,0]=2 16 B13R2.64 C(C1CCCN1)c2ccccn2 Molport-028-616-588 [0,0,0,1,0,0|1,0,0]=2 17 B13R2.64 C(C1CCCN1)c2cccnc2 Molport-001-760-077 [0,0,0,1,0,0|1,0,0]=2 18 B13R2.64 C(C1CCCN1)c2cccnc2 Molport-001-794-070 [0,0,0,1,0,0|1,0,0]=2 19 B13R2.64 C(C1CCCN1)c2ccncc2 Molport-046-203-677 [0,0,0,1,0,0|1,0,0]=2 20 B13R2.64 C(C1CCNC1)c2ccccn2 Molport-020-264-393 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.64 C(C1CCNC1)c2ccccn2 Molport-020-393-034 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-001-760-294 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-001-778-574 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-020-264-399 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.64 C(C1CCNC1)c2cccnc2 Molport-039-029-855 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.64 C(C1CCNC1)c2ccncc2 Molport-020-264-592 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.64 C1CCC(C1)Nc2ccccn2 Molport-005-167-517 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.64 C1CCC(C1)Nc2ccncc2 Molport-005-175-954 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.64 C1CCC(C1)Oc2cccnc2 Molport-004-782-993 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.18 CC(C)Cc1cnccn1 Molport-005-935-762 [2,0,0,0,0,0|2,0,0]=4 31 B14R1.156 CN(CCCN)CCc1ccccc1 Molport-004-362-175 [0,1,0,0,0,1|2,0,0]=4 32 B14R1.33 CCCCN(C)Cc1ccc(cc1)C Molport-046-845-387 [0,2,0,0,0,0|2,0,0]=4 33 B14R1.33 CCCCN(C)Cc1ccc(cc1)O Molport-022-801-154 [0,2,0,0,0,0|2,0,0]=4 34 B14R1.33 CCCCN(C)Cc1ccc(cc1)S Molport-035-781-866 [0,2,0,0,0,0|2,0,0]=4 35 B14R1.34 CCCCN(C)Cc1cccc(c1)O Molport-002-114-978 [0,2,0,0,0,0|2,0,0]=4 36 B14R1.158 CN(CCCCN)Cc1ccccc1 Molport-003-758-499 [0,2,0,0,0,0|2,0,0]=4 37 B14R1.158 CNCCCN(C)Cc1ccccc1 Molport-004-404-308 [0,2,0,0,0,0|2,0,0]=4 38 B14R1.423 CC(O)CCN(C)Cc1ccccc1 Molport-011-655-190 [0,2,0,0,0,0|2,0,0]=4 39 B14R1.423 CN(C)CCN(C)Cc1ccccc1 Molport-002-146-387 [0,2,0,0,0,0|2,0,0]=4 40 B14R1.743 CCC(N)CN(C)Cc1ccccc1 Molport-003-758-475 [0,2,0,0,0,0|2,0,0]=4 41 B14R1.946 CCCCN(C)Cc1ccccc1S Molport-035-779-369 [0,2,0,0,0,0|2,0,0]=4 42 B14R1.549 CN(C)CC(CO)Cc1ccccc1 Molport-038-320-116 [0,2,0,0,0,0|2,0,0]=4 43 B14R1.433 CN(Cc1ccccc1)CC(C)(C)N Molport-008-486-700 [0,2,0,0,0,0|2,0,0]=4 44 B12R2.2 C1CC(CN1)c2cnccn2 Molport-019-954-506 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.2 C1CC(CN1)c2cnccn2 Molport-042-668-493 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.2 C1CC(CN1)c2cncnc2 Molport-023-334-829 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.2 C1CC(CN1)c2cncnc2 Molport-049-242-305 [1,0,0,1,0,0|2,0,0]=4 48 B12R2.2 C1CC(CN1)c2ncccn2 Molport-044-626-102 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.2 C1CCC(C1)c2cccnc2 Molport-021-875-965 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.41 C1CCc2cccnc2CC1 Molport-003-927-530 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.41 C1Cc2cncnc2CCN1 Molport-004-759-060 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.1081 CC1CCCc2c1cccn2 Molport-044-558-473 [1,0,0,1,0,0|2,0,0]=4 53 B12R2.24 CC1CCc2cccnc2C1 Molport-044-558-580 [1,0,0,1,0,0|1,0,0]=3 54 B12R2.24 CC1CCc2ncccc2C1 Molport-044-558-474 [1,0,0,1,0,0|1,0,0]=3 55 B12R2.98 C(C1CCCN1)n2ccnc2 Molport-014-168-099 [0,0,0,1,1,0|2,0,0]=4 56 B12R2.98 C(C1CCCN1)n2ccnc2 Molport-029-997-432 [0,0,0,1,1,0|2,0,0]=4 57 B12R2.98 C([C@@H]1CCCN1)c2cccs2 Molport-046-147-516 [0,0,0,1,1,0|1,0,0]=3 58 B12R2.98 C([C@@H]1CCCN1)n2ccnc2 Molport-046-935-489 [0,0,0,1,1,0|2,0,0]=4 59 B12R2.98 C([C@H]1CCCN1)c2cccs2 Molport-046-147-518 [0,0,0,1,1,0|1,0,0]=3 60 B12R2.98 C([C@H]1CCCN1)n2ccnc2 Molport-004-776-934 [0,0,0,1,1,0|2,0,0]=4 61 B12R2.98 C([C@H]1CCCN1)n2ccnc2 Molport-046-931-931 [0,0,0,1,1,0|2,0,0]=4 62 B12R2.246 CC1Cc2[nH]ncc2C(N1)C Molport-022-466-795 [0,0,0,1,1,0|2,0,0]=4 63 B14R2.21 CC1CCCC(C1)c2ccccc2 Molport-046-068-938 [0,0,0,1,0,1|1,0,0]=3 64 B14R2.21 NC1CCCC(C1)c2ccccc2 Molport-020-775-458 [0,0,0,1,0,1|2,0,0]=4 65 B14R2.21 NC1CCCC(C1)c2ccccc2 Molport-029-939-529 [0,0,0,1,0,1|2,0,0]=4 66 B14R2.21 N[C@@H]1CCC[C@@H](C1)c2ccccc2 Molport-051-574-467 [0,0,0,1,0,1|2,0,0]=4 67 B14R2.21 N[C@@H]1CCC[C@H](C1)c2ccccc2 Molport-051-574-466 [0,0,0,1,0,1|2,0,0]=4 68 B14R2.21 N[C@H]1CCC[C@@H](C1)c2ccccc2 Molport-051-574-468 [0,0,0,1,0,1|2,0,0]=4 69 B14R2.21 N[C@H]1CCC[C@H](C1)c2ccccc2 Molport-051-574-465 [0,0,0,1,0,1|2,0,0]=4 70 B14R2.101 C(Cc1ccccc1)C2CCCN2 Molport-001-760-075 [0,0,0,1,0,1|0,0,0]=2 71 B14R2.101 C(Cc1ccccc1)C2CCCN2 Molport-009-168-939 [0,0,0,1,0,1|0,0,0]=2 72 B14R2.101 C(Cc1ccccc1)C2CCNC2 Molport-001-760-096 [0,0,0,1,0,1|2,0,0]=4 73 B14R2.101 C(Cc1ccccn1)[C@H]2CCCN2 Molport-046-147-158 [0,0,0,1,0,1|1,0,0]=3 74 B14R2.101 C(Cc1ccncc1)[C@H]2CCCN2 Molport-047-358-519 [0,0,0,1,0,1|1,0,0]=3 75 B14R2.101 C(NC1CCCC1)c2ccccc2 Molport-000-900-590 [0,0,0,1,0,1|1,0,0]=3 76 B14R2.101 C(NC1CCCC1)c2ccccc2 Molport-004-896-235 [0,0,0,1,0,1|1,0,0]=3 77 B14R2.101 C(NC1CCCC1)c2cccnc2 Molport-000-934-485 [0,0,0,1,0,1|2,0,0]=4 78 B14R2.101 C(NC1CCCC1)c2cccnc2 Molport-006-704-290 [0,0,0,1,0,1|2,0,0]=4 79 B14R2.101 C(NC1CCCC1)c2ccncc2 Molport-000-934-484 [0,0,0,1,0,1|2,0,0]=4 80 B14R2.101 C(NC1CCCC1)c2ccncc2 Molport-006-839-092 [0,0,0,1,0,1|2,0,0]=4 81 B14R2.101 C(Nc1ccncc1)C2CCCO2 Molport-005-182-927 [0,0,0,1,0,1|2,0,0]=4 82 B14R2.101 C(OC1CCCC1)c2ccccc2 Molport-015-143-668 [0,0,0,1,0,1|1,0,0]=3 83 B14R2.101 C(Oc1cccnc1)C2CCCO2 Molport-031-529-137 [0,0,0,1,0,1|2,0,0]=4 84 B14R2.101 C(Oc1cccnc1)[C@@H]2CCCN2 Molport-027-950-694 [0,0,0,1,0,1|1,0,0]=3 85 B14R2.101 C(Oc1cccnc1)[C@@H]2CCCN2 Molport-047-916-856 [0,0,0,1,0,1|1,0,0]=3 86 B14R2.101 C(Oc1cccnc1)[C@H]2CCCN2 Molport-027-950-695 [0,0,0,1,0,1|1,0,0]=3 87 B14R2.101 C(Oc1cccnc1)[C@H]2CCCN2 Molport-051-787-034 [0,0,0,1,0,1|1,0,0]=3 88 B14R2.101 C(Oc1ccncc1)C2CCCO2 Molport-023-180-991 [0,0,0,1,0,1|2,0,0]=4 89 B14R2.112 CNCC1CCc2ccccc2C1 Molport-026-973-023 [0,0,0,1,0,1|2,0,0]=4 90 B14R2.112 NCCC1CCc2ccccc2C1 Molport-046-629-131 [0,0,0,1,0,1|2,0,0]=4 91 B14R2.72 Cc1ccc(cc1)CC2CCCN2 Molport-000-147-428 [0,1,0,1,0,0|0,0,0]=2 92 B14R2.72 Cc1ccc(cc1)CC2CCNC2 Molport-001-760-291 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.72 Cc1ccc(cc1)CC2CCNC2 Molport-020-014-211 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.72 Cc1ccc(cc1)CN2CCCC2 Molport-002-950-501 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.72 Cc1ccc(cc1)CN2CCCC2 Molport-046-845-394 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.72 Nc1ccc(cc1)CC2CCCC2 Molport-022-912-314 [0,1,0,1,0,0|1,0,0]=3 97 B14R2.926 Cc1ccc(cc1)C2CCCC2N Molport-013-899-575 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.926 Cc1ccc(cc1)C2CCCC2O Molport-002-498-443 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.926 Cc1ccc(cc1)[C@@H]2CCC[C@H]2O Molport-035-766-046 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.269 Cc1cccc(c1)[C@@H]2CCC[C@H]2O Molport-035-766-065 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.716 Cc1cccc(c1)CC2CCCN2 Molport-000-147-593 [0,1,0,1,0,0|0,0,0]=2 102 B14R2.716 Cc1cccc(n1)CC2CCCN2 Molport-000-148-196 [0,1,0,1,0,0|1,0,0]=3 103 B14R2.716 Cc1ccnc(c1)CC2CCCN2 Molport-000-148-438 [0,1,0,1,0,0|1,0,0]=3 104 B14R2.6 C(C1CCCCC1)c2ccncc2 Molport-000-165-639 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.6 C(C1CCCNC1)c2cnccn2 Molport-020-264-386 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.6 C1CCC(CC1)Nc2ccccc2 Molport-000-002-847 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.6 C1CCC(CC1)Nc2ccccc2 Molport-001-756-925 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.6 C1CCC(CC1)Oc2ccccc2 Molport-000-880-855 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.19 CC1CCN(C1)Cc2ccccc2 Molport-049-231-725 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.24 NC1CCCCC1c2ccccc2 Molport-046-511-070 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 Molport-027-807-729 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 Molport-051-770-471 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.277 CC1CCC(N1c2ccccc2)C Molport-002-498-006 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.411 CC1(CCCN1)Cc2ccccc2 Molport-028-768-080 [0,1,0,1,0,0|0,0,0]=2 115 B14R2.411 NC1(CCCC1)Cc2ccccc2 Molport-028-758-282 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.114 CC(N1CCCC1)c2ccccc2 Molport-046-703-406 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.114 NC(C1CCCC1)c2ccccc2 Molport-004-326-929 [0,1,0,1,0,0|1,0,0]=3 118 B14R2.114 NC(C1CCCC1)c2ccccc2 Molport-016-633-913 [0,1,0,1,0,0|1,0,0]=3 119 B14R2.114 NC(C1CCCC1)c2ccccn2 Molport-011-913-722 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.114 NC(C1CCCC1)c2cccnc2 Molport-011-913-742 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.114 NC(C1CCCO1)c2cccnc2 Molport-047-800-661 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.114 N[C@H](C1CCCC1)c2ccccc2 Molport-021-783-882 [0,1,0,1,0,0|1,0,0]=3 123 B14R2.114 OC(C1CCCC1)c2ccccc2 Molport-008-545-971 [0,1,0,1,0,0|1,0,0]=3 124 B14R2.279 CC1CCCc2ccccc2C1N Molport-014-212-763 [0,1,0,1,0,0|1,0,0]=3 125 B14R2.14 CCC1CNCC1c2ccccc2 Molport-051-782-755 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.14 CNC1CCCC1c2ccccc2 Molport-013-899-827 [0,1,0,1,0,0|1,0,0]=3 127 B14R2.14 NCC1CCCC1c2ccccc2 Molport-023-925-561 [0,1,0,1,0,0|1,0,0]=3 128 B14R2.14 NCC1CCCC1c2ccccc2 Molport-039-239-933 [0,1,0,1,0,0|1,0,0]=3 129 B14R2.143 NCC1CCCc2ccccc2C1 Molport-046-674-230 [0,1,0,1,0,0|1,0,0]=3 130 B14R2.972 CCC(N)C1Cc2ccccc2C1 Molport-026-953-402 [0,1,0,1,0,0|1,0,0]=3 131 B14R2.768 CC(C)CN1Cc2ccccc2C1 Molport-004-830-821 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.8189 CN1Cc2ccccc2C(C1)(C)C Molport-006-699-956 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.50 Cc1ccccc1NC2CCCC2 Molport-002-800-478 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.50 Cc1ccccc1NC2CCCC2 Molport-046-862-609 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.50 Fc1cnccc1CC2CCCN2 Molport-047-944-797 [0,1,0,1,0,0|1,0,0]=3 136 B14R2.8045 CC1CC(c2cccc(c2N1)C)C Molport-000-697-624 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.8045 CC1CC(c2cccc(c2N1)C)C Molport-002-021-210 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.8045 CC1CC(c2cccc(c2N1)C)C Molport-006-841-213 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.29496 CC1CC(Nc2c1cccc2)(C)C Molport-002-040-067 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.29496 CC1CC(Nc2c1cccc2)(C)C Molport-023-330-306 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.29496 CC1NC(Cc2c1cccc2)(C)C Molport-016-630-812 [0,1,0,1,0,0|0,0,0]=2 142 B14R2.29496 CC1NC(Cc2c1cccc2)(C)C Molport-029-997-121 [0,1,0,1,0,0|0,0,0]=2 143 B10R1.27 CNC(C)Cc1cncs1 Molport-031-695-947 [1,0,0,0,1,0|2,0,0]=4