0 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [0,1,0,0,0,0|2,0,0]=3 1 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [0,1,0,0,0,0|2,0,0]=3 2 B6R1.3 FCNC1CC1 1715feed97cb051cb760323cf608febe [0,1,0,0,0,0|1,1,0]=3 3 B6R1.3 FCOC1CC1 c80b7a723f6ace17df2859b2130f1eb6 [0,1,0,0,0,0|1,1,0]=3 4 B6R1.3 N#CNC1CC1 e16d88e60b8af9226032f06df181743e [0,1,0,0,0,0|2,0,1]=4 5 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [0,1,0,0,0,0|2,0,1]=4 6 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [0,1,0,0,0,0|2,0,0]=3 7 B4R0.2 N#CNCO 96663baf465b53940bc16189393ec3f3 [0,0,1,0,0,0|2,0,1]=4 8 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [0,0,0,0,0,1|3,0,0]=4 9 B6R1.6 FCN1CCC1 be36fe433e3b5fde99e14f4c177c697e [0,0,0,0,0,1|2,1,0]=4 10 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,0,0,0,0,1|3,0,0]=4 11 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [0,1,1,0,0,0|1,1,0]=4 12 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [0,1,1,0,0,0|2,0,0]=4 13 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,1,1,0,0,0|2,0,0]=4 14 B5R0.2 C#CCNCO 4bb795bb5acae202fad43479b44be9dd [0,1,1,0,0,0|1,0,1]=4 15 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [0,1,1,0,0,0|1,0,1]=4 16 B5R0.2 C#CCOCF 0e978033291daf7dd93639008f4f2560 [0,1,1,0,0,0|1,0,1]=4 17 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [0,1,1,0,0,0|2,0,0]=4 18 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [0,1,1,0,0,0|1,1,0]=4 19 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [0,1,1,0,0,0|1,0,0]=3 20 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [0,1,1,0,0,0|1,0,0]=3 21 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [0,1,1,0,0,0|1,0,0]=3 22 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [0,1,1,0,0,0|1,1,0]=4 23 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [0,1,1,0,0,0|1,1,0]=4 24 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [0,1,1,0,0,0|1,1,0]=4 25 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [0,1,1,0,0,0|1,0,0]=3 26 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [0,1,1,0,0,0|1,1,0]=4 27 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [0,1,1,0,0,0|1,0,1]=4 28 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [0,1,1,0,0,0|0,1,0]=3 29 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [0,1,1,0,0,0|1,0,0]=3 30 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [0,1,1,0,0,0|1,0,0]=3 31 B5R0.2 COCNC#N 6538804d39cac1707c9f03c6cddb6366 [0,1,1,0,0,0|1,0,1]=4 32 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [0,1,1,0,0,0|0,1,0]=3 33 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [0,1,1,0,0,0|1,1,0]=4 34 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [0,1,1,0,0,0|0,1,0]=3 35 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [0,1,1,0,0,0|1,1,0]=4 36 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [0,1,1,0,0,0|1,1,0]=4 37 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [0,1,1,0,0,0|0,2,0]=4 38 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [0,1,1,0,0,0|1,0,0]=3 39 B5R0.2 N#CCNCO fd324670c11604d36c8ad9c950822402 [0,1,1,0,0,0|1,0,1]=4 40 B5R0.2 N#CCOCF a376014f96206b9d86fce99546d2dc7b [0,1,1,0,0,0|1,0,1]=4 41 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [0,1,1,0,0,0|1,0,1]=4 42 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [0,1,1,0,0,0|1,0,1]=4 43 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [0,1,1,0,0,0|0,1,0]=3 44 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [0,1,1,0,0,0|1,0,0]=3 45 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [0,1,1,0,0,0|0,1,0]=3 46 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [0,1,1,0,0,0|0,1,0]=3 47 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [0,1,1,0,0,0|0,1,0]=3 48 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [0,1,1,0,0,0|1,0,0]=3 49 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [0,1,0,0,0,1|2,0,0]=4 50 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [0,1,0,0,0,1|1,0,0]=3 51 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,1,0,0,0,1|2,0,0]=4 52 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,1,0,0,0,1|1,0,0]=3 53 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,1,0,0,0,1|1,1,0]=4 54 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [0,1,0,0,0,1|1,1,0]=4 55 B7R1.6 FCNC1COC1 0688b607086181c74c3be657cc5d310c [0,1,0,0,0,1|0,1,0]=3 56 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [0,1,0,0,0,1|1,1,0]=4 57 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [0,1,0,0,0,1|0,1,0]=3 58 B7R1.6 FCOC1CSC1 c3629ce88eeefd302ac1510ed7a5efdb [0,1,0,0,0,1|0,2,0]=4 59 B7R1.6 N#CNC1COC1 c75fae30d4206fd9ba591db506f9d3d3 [0,1,0,0,0,1|1,0,1]=4 60 B7R1.6 O=CNC1COC1 910edb395eecbce8af210d974d8d054c [0,1,0,0,0,1|1,0,1]=4 61 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,1,0,0,0,1|2,0,0]=4 62 B7R1.6 OCNC1COC1 70c7bde4c76017dd84cc14dbc8c4b262 [0,1,0,0,0,1|1,0,0]=3 63 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [0,2,0,0,0,0|1,1,0]=4 64 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,2,0,0,0,0|2,0,0]=4 65 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,2,0,0,0,0|2,0,0]=4 66 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [0,2,0,0,0,0|2,0,0]=4 67 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [0,2,0,0,0,0|2,0,0]=4 68 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [0,2,0,0,0,0|2,0,0]=4 69 B7R1.5 FCN[C@@H]1C[C@H]1F 85280cfa96aef3574f1a732db8092b29 [0,2,0,0,0,0|1,1,0]=4 70 B7R1.5 FCN[C@H]1C[C@@H]1F 1f63cb641d6bd19939755765aa7189cf [0,2,0,0,0,0|1,1,0]=4 71 B7R1.5 FCN[C@H]1C[C@H]1F 2caca4e65c5956ad486cd33521d8a5ac [0,2,0,0,0,0|1,1,0]=4 72 B7R1.5 OCN[C@@H]1C[C@H]1F 3df34e466ae971e7539960ae02b859ec [0,2,0,0,0,0|2,0,0]=4 73 B7R1.5 OCN[C@H]1C[C@@H]1F c189de4ce3986a31a5c69dca6c280199 [0,2,0,0,0,0|2,0,0]=4 74 B7R1.5 OCN[C@H]1C[C@H]1F 9d9be3ca1e72afafdc1357d9fb78bbb0 [0,2,0,0,0,0|2,0,0]=4 75 B7R1.7 BrCCNC1CC1 1393b058767cc277491294f53cdb074c [0,2,0,0,0,0|1,1,0]=4 76 B7R1.7 C#CCNC1CC1 5ca46f52cda18bae277b5cbce6fc70ee [0,2,0,0,0,0|2,0,0]=4 77 B7R1.7 C#CCOC1CC1 5fdc8972237e2849d78e13ef5a1a79ef [0,2,0,0,0,0|2,0,0]=4 78 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [0,2,0,0,0,0|2,0,0]=4 79 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [0,2,0,0,0,0|2,0,0]=4 80 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [0,2,0,0,0,0|2,0,0]=4 81 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,2,0,0,0,0|2,0,0]=4 82 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [0,2,0,0,0,0|2,0,0]=4 83 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [0,2,0,0,0,0|2,0,0]=4 84 B7R1.7 COCNC1CC1 2800df33eaeca479e7ad5159beea729f [0,2,0,0,0,0|2,0,0]=4 85 B7R1.7 COCOC1CC1 026a9c25eccde58eb88281f1e9079e4e [0,2,0,0,0,0|2,0,0]=4 86 B7R1.7 CSCNC1CC1 0c824667fb972af505e34e3d4012a12e [0,2,0,0,0,0|2,0,0]=4 87 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [0,2,0,0,0,0|2,0,0]=4 88 B7R1.7 FCCNC1CC1 27bdd0e03327b3d3ab47daae837284af [0,2,0,0,0,0|1,1,0]=4 89 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [0,2,0,0,0,0|1,1,0]=4 90 B7R1.7 FCNCC1CC1 1cae99c489890b890b87d2c58a6eb8c9 [0,2,0,0,0,0|1,1,0]=4 91 B7R1.7 FCOCC1CC1 ca8fac99f1600978aadc627ea28dfc26 [0,2,0,0,0,0|1,1,0]=4 92 B7R1.7 ICCNC1CC1 54cb85ddbccb623caf83beca2f313e76 [0,2,0,0,0,0|1,1,0]=4 93 B7R1.7 N#CCNC1CC1 774dd910abeb1877524c1bcd87b79369 [0,2,0,0,0,0|2,0,0]=4 94 B7R1.7 N#CCOC1CC1 d7c2e7fafb0b43edd26a7ce548ab2216 [0,2,0,0,0,0|2,0,0]=4 95 B7R1.7 N#CNCC1CC1 e11ff029141739ecc39ca358fc7d848d [0,2,0,0,0,0|2,0,0]=4 96 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [0,2,0,0,0,0|2,0,0]=4 97 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [0,2,0,0,0,0|2,0,0]=4 98 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [0,2,0,0,0,0|2,0,0]=4 99 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [0,2,0,0,0,0|2,0,0]=4 100 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [0,2,0,0,0,0|2,0,0]=4 101 B7R1.7 SCCNC1CC1 c809924f8210012f5574eb4a4f7021ba [0,2,0,0,0,0|2,0,0]=4 102 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [0,2,0,0,0,0|2,0,0]=4 103 B7R1.20 CC(C)NC1CC1 42821cd4935984c3074bdbd29bffeb6b [0,2,0,0,0,0|2,0,0]=4 104 B7R1.20 CC(C)OC1CC1 2ba1c960117d477fcaacedd25b727831 [0,2,0,0,0,0|2,0,0]=4 105 B7R1.21 CC1(CC1)NCF ca95094546b9f047a7e9abc6602efda5 [0,2,0,0,0,0|1,1,0]=4 106 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [0,2,0,0,0,0|2,0,0]=4 107 B7R1.21 CCNC1(CC1)C 49ee171fcc771c5e16d08c11c421eefd [0,2,0,0,0,0|2,0,0]=4 108 B7R1.22 CCN(C)C1CC1 476aa428dda8fdb06e16725a89d0042d [0,2,0,0,0,0|2,0,0]=4 109 B7R1.22 CN(CF)C1CC1 54383ec2d9da18df279ed6de4a3d8d6d [0,2,0,0,0,0|1,1,0]=4 110 B7R1.22 CN(CO)C1CC1 6f2172a1520d8d373b29f297b52bc26d [0,2,0,0,0,0|2,0,0]=4