0 B9R1.11 CCC(=O)N1CC=CC1 8fcb7348add64c7e1ee81d8cebba28fe [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 CCN(C)c1ncco1 e68e12067f5d470a1f9ce47452eec061 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [1,0,0,0,0,0|2,0,1]=4 3 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [1,0,0,0,0,0|2,1,0]=4 4 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [1,0,0,0,0,0|3,0,0]=4 5 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [1,0,0,0,0,0|3,0,0]=4 6 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [1,0,0,0,0,0|2,0,0]=3 7 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [1,0,0,0,0,0|2,1,0]=4 8 B8R1.8 FCOc1ccco1 51ab89c071216f5af135b7cd9684c569 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.11 CC(NCF)c1ccco1 ec50ac5ee30b386ceb27d74b468f7bbf [0,1,0,0,0,0|2,0,1]=4 10 B10R1.11 CC(NCO)c1ccco1 4881715caf8fce76fe938600d1a6b5e2 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.11 CC(OCF)c1ccco1 0dc071426fbde92893ac6d911f8258f3 [0,1,0,0,0,0|1,1,1]=4 12 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [0,1,0,0,0,0|2,0,1]=4 14 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [0,1,0,0,0,0|1,1,1]=4 15 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [0,1,0,0,0,0|1,1,1]=4 16 B10R1.11 CSCC(=O)N1CC=CC1 e0240e4b45b1caa7e6aaa192e212e868 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.11 CSCN(C)c1ncco1 35af9b657fe866d2fb676c6afebe416e [0,1,0,0,0,0|3,0,0]=4 18 B10R1.11 C[C@@H](NCF)c1ccco1 e5e97902e40ec0578a768aa3c7b12fce [0,1,0,0,0,0|2,0,1]=4 19 B10R1.11 C[C@@H](NCO)c1ccco1 d0b88fd7c99a35596cab0a6a81704914 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.11 C[C@@H](OCF)c1ccco1 b3b578f71aae2bbabe04fd12d3be7051 [0,1,0,0,0,0|1,1,1]=4 21 B10R1.11 N#CNC(=O)c1ccco1 1adef430898af33746a6c9ec84528171 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.11 N#CNC(=O)c1cccs1 095e1c1f89cfea00e92ac1d8c8d62e1e [0,1,0,0,0,0|1,1,1]=4 23 B10R1.11 N#CNC(=O)c1ccno1 fc6e857285727ff26ef42788fd85d724 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.11 N#CNC(=O)c1cnco1 d28705b4d54e683c655c7c26497671ce [0,1,0,0,0,0|2,0,1]=4 25 B10R1.11 N#CNC(=O)c1ncco1 cad6eda580411d5fa5ee0424dceda23d [0,1,0,0,0,0|2,0,1]=4 26 B10R1.14 CCN(C)c1ccc(o1)C 756b5c8d5f9750ba36120da486b7ea4d [0,1,0,0,0,0|3,0,0]=4 27 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,0,1,0,0,0|1,0,2]=4 28 B8R0.6 C=CCOCC(=O)NC 78ae20439406612f9980a44f6c28e411 [0,0,1,0,0,0|1,0,2]=4 29 B8R0.6 C=CCOCC(=O)OC 4af7941697fe7abf28d3bb985f3618ec [0,0,1,0,0,0|0,1,2]=4 30 B10R1.27 C#CC(=O)Nc1cccs1 e9224cd9992603127a419174b2b0a0b5 [0,0,0,0,0,1|1,1,1]=4 31 B10R1.27 C#CC(=O)Nc1ccno1 a2b4c385e9b20c6ea6179d70e95787ed [0,0,0,0,0,1|2,0,1]=4 32 B10R1.27 C#CC(=O)Nc1ncco1 d17bf78d42d3d2638cc091eea586c848 [0,0,0,0,0,1|2,0,1]=4 33 B10R1.27 C=CC(=O)Nc1cccs1 e83235019fa42812523ea5fc4f181558 [0,0,0,0,0,1|1,1,1]=4 34 B10R1.27 C=CC(=O)Nc1ccno1 024209dd32edd8d8ae78ff4216ebd741 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.27 C=CC(=O)Nc1ncco1 4191fc2a4b42231ce3f00b59c09c2a64 [0,0,0,0,0,1|2,0,1]=4 36 B10R1.27 CCC(=O)Nc1cccs1 f50607963147f2d3b2fa22a860c7bc5f [0,0,0,0,0,1|1,1,0]=3 37 B10R1.27 CCC(=O)Nc1ccno1 909054f307ef24dfb02c6467e90f9bc3 [0,0,0,0,0,1|2,0,0]=3 38 B10R1.27 CCC(=O)Nc1ccns1 983c39b369b340df6a8d008508181dc6 [0,0,0,0,0,1|2,1,0]=4 39 B10R1.27 CCC(=O)Nc1ccsc1 5bf01967229999d777833bdfda9bef0a [0,0,0,0,0,1|3,0,0]=4 40 B10R1.27 CCC(=O)Nc1cncs1 0a9145704297d531c120b55f86e36565 [0,0,0,0,0,1|2,1,0]=4 41 B10R1.27 CCC(=O)Nc1cocn1 2d93b0f05fe4aaf36cb636d800a92bf5 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.27 CCC(=O)Nc1cscn1 7ba07f893e3c146b5b2e23ed1c158919 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.27 CCC(=O)Nc1ncco1 ee37f68e5f52d9668d0f9933ef28c6fc [0,0,0,0,0,1|2,0,0]=3 44 B10R1.27 CCC(=O)Nc1nccs1 fdccf754ab8887b68e7072ae126b79a6 [0,0,0,0,0,1|2,1,0]=4 45 B10R1.27 CCC(C)Oc1ccco1 d0beb7fde6d54ae64363161825c47c35 [0,0,0,0,0,1|2,0,1]=4 46 B10R1.27 CCN(C)Cc1ccco1 76ba84af7af62748e537e57011bb5102 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.27 O=C(CF)Nc1cccs1 c2532a8f207b54b42bbc7280d05616b2 [0,0,0,0,0,1|2,1,0]=4 48 B10R1.27 O=C(CF)Nc1ccno1 8f6d54f8381900f816aa0a6141c5e319 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.27 O=C(CF)Nc1ncco1 4fa3d00cec483ba2638be10f345a2395 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.27 O=C(CO)Nc1cccs1 c02ae0041af0a4556b6c8dc060e48c79 [0,0,0,0,0,1|2,1,0]=4 51 B10R1.27 O=C(CO)Nc1ncco1 6050db231c4a585130c143babe839f4c [0,0,0,0,0,1|3,0,0]=4 52 B10R1.27 O=C(CS)Nc1cccs1 92618e90e5bf8c915c1cae56e1f47489 [0,0,0,0,0,1|2,1,0]=4 53 B10R1.27 O=C(CS)Nc1ccno1 6824aa28c3d354d7bf99229861e6658f [0,0,0,0,0,1|3,0,0]=4 54 B10R1.27 O=CC(=O)Nc1cccs1 131968a6bb1c313ed1c4ad145b0c87f0 [0,0,0,0,0,1|2,1,0]=4 55 B10R1.27 O=CC(=O)Nc1ccno1 aadc5f6588312db5e1f94a52bf216ff5 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.27 O=CC(=O)Nc1ncco1 3f5cc1048dbccb945effc7f56e2ac024 [0,0,0,0,0,1|3,0,0]=4 57 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [1,0,1,0,0,0|0,0,2]=4 58 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [1,1,0,0,0,0|0,1,1]=4 61 B9R1.12 COCOc1ccco1 e04897991e5b5a23be25371e2fdd1455 [1,1,0,0,0,0|0,1,1]=4 62 B9R1.12 CSCNc1cccs1 9666dae99bc2c28068bd9eb8da246d16 [1,1,0,0,0,0|0,1,1]=4 63 B9R1.12 CSCNc1ccno1 9cb31c8b969f0e8254415eeaa69d44aa [1,1,0,0,0,0|1,0,1]=4 64 B9R1.12 CSCNc1ncco1 44b6ee33c95609b66c0a28f57bbe3cb5 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.12 CSCOc1ccco1 1390e2388610ba4d2a6a9c5a27789bf5 [1,1,0,0,0,0|0,0,1]=3 66 B9R1.12 CSCOc1cccs1 bce12fac0c68c414ccd2f558ed87d259 [1,1,0,0,0,0|0,1,1]=4 67 B9R1.12 FCCOc1ccco1 74b943bccf8edd3f7423f52f687b6d81 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.12 FCNCc1ccco1 15cf0ef1c142117a022de7e1d8123caa [1,1,0,0,0,0|1,0,1]=4 69 B9R1.12 FCOCc1ccco1 c04c3f12cfd8e7c8e05bcf1ef27a3e13 [1,1,0,0,0,0|0,1,1]=4 70 B9R1.12 OCCNc1ccco1 133a22307e236e8d6e7724cd612f28fd [1,1,0,0,0,0|2,0,0]=4 71 B9R1.12 OCNCc1ccco1 65cac21f3029c35a0c20d324fb578c01 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.12 SCCNc1ccco1 07751fd732d83bca22eb9634fbc19eef [1,1,0,0,0,0|2,0,0]=4 73 B9R1.12 SCCOc1ccco1 7ce458dd6701fc9e2ddded3a6e0f82ed [1,1,0,0,0,0|2,0,0]=4 74 B9R1.13 CC(C)Oc1ccco1 6706bc489021fd5e63c9cd08f454e9c6 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.30 C/C=C/C(=O)Nc1cccs1 b88ce0f8a91c462affd137607d6d36dc [0,1,0,0,0,1|1,1,0]=4 76 B11R1.30 C/C=C/C(=O)Nc1ccno1 dd103a3b019bbf534605a01099f9a05d [0,1,0,0,0,1|2,0,0]=4 77 B11R1.30 C/C=C/C(=O)Nc1ncco1 1282f2efb1ed2f54cdb05b4beaae5228 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.30 CC#CC(=O)Nc1cccs1 87ffd0a5fb7985c87692f6328976123e [0,1,0,0,0,1|1,1,0]=4 79 B11R1.30 CC#CC(=O)Nc1ncco1 7f5f7f1d1ff1407ca5f7c855004ead68 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.30 CCCC(=O)Nc1cccs1 e85255fe7df8b1c9d43477733b584e37 [0,1,0,0,0,1|1,1,0]=4 81 B11R1.30 CCCC(=O)Nc1ccno1 3ccccb7c8979c3bc22cc86bea1bddb28 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.30 CCCC(=O)Nc1ncco1 c7577386937f7b8ea3029afe6bf848b7 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.30 COCC(=O)Nc1cccs1 fbca31af7a27ff67c42c92ab71bc8d63 [0,1,0,0,0,1|0,2,0]=4 84 B11R1.30 COCC(=O)Nc1ccno1 ddb40514378f2b62c4a994665b7aaf41 [0,1,0,0,0,1|1,1,0]=4 85 B11R1.30 COCC(=O)Nc1ncco1 d05d688c86611e685b1545d8fd8da624 [0,1,0,0,0,1|1,1,0]=4 86 B11R1.30 CSCC(=O)Nc1cccs1 e1a3f9b8048fdfd149d89cad894707fd [0,1,0,0,0,1|0,1,0]=3 87 B11R1.30 CSCC(=O)Nc1ccno1 996a28654f8080317ce92cab5c755621 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.30 CSCC(=O)Nc1ccns1 2f1c155229f70ab039e8cc2d6001117d [0,1,0,0,0,1|1,1,0]=4 89 B11R1.30 CSCC(=O)Nc1cscn1 f3c0025058aa57f0be6c0a74378f61ce [0,1,0,0,0,1|2,0,0]=4 90 B11R1.30 CSCC(=O)Nc1ncco1 c8b2ad450085c7437a61184460ef6a9d [0,1,0,0,0,1|1,0,0]=3 91 B11R1.30 CSCC(=O)Nc1nccs1 52356853a7cd551e4e3bfb71bc0668ab [0,1,0,0,0,1|1,1,0]=4 92 B11R1.30 CSCN(C)Cc1ccco1 947f2f8ea728cb9a65f44fa520372f3e [0,1,0,0,0,1|2,0,0]=4 93 B11R1.30 N#CNC(=O)Cc1ccco1 f3f458c70b7fb4d402e374bc030691c5 [0,1,0,0,0,1|1,0,1]=4 94 B11R1.30 O=C(CCF)Nc1cccs1 11954c15d658b87518dea01d2ae651db [0,1,0,0,0,1|1,1,0]=4 95 B11R1.30 O=C(CCF)Nc1ccno1 e22d96e894f5d79ed8dc9fd1153d47ca [0,1,0,0,0,1|2,0,0]=4 96 B11R1.30 O=C(CCF)Nc1ncco1 ffe859ce8f1fb4360f6961260caa34da [0,1,0,0,0,1|2,0,0]=4 97 B11R1.30 O=C(CCO)Nc1cccs1 4ef96122338343ae270a589c2d6406df [0,1,0,0,0,1|1,1,0]=4 98 B11R1.30 O=C(CCO)Nc1ccno1 55b18418609412433654af277aed69df [0,1,0,0,0,1|2,0,0]=4 99 B11R1.30 O=C(CCO)Nc1ncco1 7accfcc603de6dacaef9ad6baf19059d [0,1,0,0,0,1|2,0,0]=4 100 B11R1.30 O=C(CCS)Nc1cccs1 fdfbda4bb4d6e87c2bf10819d1387b88 [0,1,0,0,0,1|1,1,0]=4 101 B11R1.30 O=C(CCS)Nc1ccno1 9d352e661b6f519d371e990a53236037 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.30 O=C(CCS)Nc1ncco1 f18dc92005149a12b5b786d307f31b3a [0,1,0,0,0,1|2,0,0]=4 103 B11R1.31 CCC(=O)N(C)c1ncco1 e6aa8512e393b5fa859eb0961182ec78 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.35 C=C(C)C(=O)Nc1cccs1 1760e0a66affe8fd5b39b43d74c60a5e [0,1,0,0,0,1|1,1,0]=4 105 B11R1.35 C=C(C)C(=O)Nc1ccno1 7f4022655a993ebd2236198423a264a0 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.35 C=C(C)C(=O)Nc1ncco1 b4352d079128cdc019afd42c4eb31828 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.35 CC(=O)C(=O)Nc1cccs1 de6d70e3306c47e09cb36ff931517690 [0,1,0,0,0,1|1,1,0]=4 108 B11R1.35 CC(=O)C(=O)Nc1ccno1 eef72884d901d25f0c5eceafa48827eb [0,1,0,0,0,1|2,0,0]=4 109 B11R1.35 CC(=O)C(=O)Nc1ncco1 1951beb575cdea14f51dfb91f1315f40 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.35 CC(F)C(=O)Nc1cccs1 4d402e012a605d9adba58544fbaba3b2 [0,1,0,0,0,1|1,1,0]=4 111 B11R1.35 CC(O)C(=O)Nc1cccs1 6eb72c9e5dc282f1cb487ff6167488a8 [0,1,0,0,0,1|1,1,0]=4 112 B11R1.35 CC(O)C(=O)Nc1ccno1 bd411e85e7cc8017ba91dc1d63ce97cc [0,1,0,0,0,1|2,0,0]=4 113 B11R1.35 CC(O)C(=O)Nc1ncco1 f69d0911f806047125effc6c25f0776d [0,1,0,0,0,1|2,0,0]=4 114 B11R1.35 CC(S)C(=O)Nc1cccs1 377ba5c82b250807ffe4652b2a229579 [0,1,0,0,0,1|1,1,0]=4 115 B11R1.35 CC(S)C(=O)Nc1ccno1 f33d7e2bdf7f839260e1151af69af789 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.35 CC(S)C(=O)Nc1ncco1 1a8f644a6d1af844b841681d47e4600f [0,1,0,0,0,1|2,0,0]=4 117 B11R1.35 C[C@@H](F)C(=O)Nc1cccs1 d92d205070519a1e88fedeff6190ba2e [0,1,0,0,0,1|1,1,0]=4 118 B11R1.35 C[C@@H](O)C(=O)Nc1cccs1 1fe558ea537643901f641b0a0eef2170 [0,1,0,0,0,1|1,1,0]=4 119 B11R1.35 C[C@@H](O)C(=O)Nc1ccno1 2d7724e56e0dc582a25b33f976c6c563 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.35 C[C@@H](O)C(=O)Nc1ncco1 2b4e4e2a804563f93d7ecd8b0fc7437e [0,1,0,0,0,1|2,0,0]=4 121 B11R1.35 C[C@H](F)C(=O)Nc1cccs1 986bb8df1b1d2fb3059e35517fbf1a83 [0,1,0,0,0,1|1,1,0]=4 122 B11R1.35 C[C@H](O)C(=O)Nc1cccs1 a72074808487f8f06bedff857aeeec7f [0,1,0,0,0,1|1,1,0]=4 123 B11R1.35 C[C@H](O)C(=O)Nc1ccno1 24fa7be81b1b691ff58e533b7d63d2c1 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.35 C[C@H](O)C(=O)Nc1ncco1 e47273513233c549f1fa0a4daa825a9e [0,1,0,0,0,1|2,0,0]=4 125 B11R1.39 CCC(=O)Nc1cc(no1)C 86ba8b7d3c5933c0892036a242f76bc4 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.39 CCC(=O)Nc1ccc(s1)Br 3b0c93d8e70414e8bf45e86ea6447bc0 [0,1,0,0,0,1|1,1,0]=4 127 B11R1.39 CCC(=O)Nc1cnc(o1)C d4f94d2f8e6bbe0928dfdb48a1e9be57 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.39 CCC(=O)Nc1nc(co1)Br 1dca1b7b6216b5a4cb61e514c27dd910 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.39 CCC(=O)Nc1nc(co1)C 63e58ac94aa5e0a2125ca91bac76f1e8 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.39 CCC(=O)Nc1ncc(o1)C 063468444c8a9b02245cb440b5c9f6c2 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.84 CCC(C=O)Oc1ccco1 7425a557ff21ef6bb65112af39ef60a2 [0,1,0,0,0,1|1,0,1]=4 132 B11R1.84 CCN(C=O)Cc1ccco1 decbc418bb836e71037a67968583093c [0,1,0,0,0,1|2,0,0]=4 133 B11R1.2 CCC(NC=O)c1ccco1 3a0ea364dff92e54acb23f8aafd7790c [0,2,0,0,0,0|1,0,1]=4 134 B11R1.15 Cc1ccc(o1)C(=O)NC#N a1567f28994cc6a96c94b1acb7b18548 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.15 Cc1coc(c1)C(=O)NC#N 60655a7ff56bcd7309d0f66263e05705 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.15 N#CNC(=O)c1cc(co1)Br 8a7ea278d3d6965cb144e18bb12ccaf8 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.15 N#CNC(=O)c1cc(co1)Cl 063de56d7511ebd0e8f43be53fe730c1 [0,2,0,0,0,0|1,0,1]=4 138 B11R1.15 N#CNC(=O)c1ccc(o1)Br 6385b1f53d0f70a01f0a8fad13c6f9ef [0,2,0,0,0,0|1,0,1]=4 139 B11R1.15 N#CNC(=O)c1ccc(o1)Cl 6461fa21b41881e50d0e29e60a8115ae [0,2,0,0,0,0|1,0,1]=4 140 B11R1.15 N#CNC(=O)c1ccc(o1)F cb953639133a9878da5dd06648a93273 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.15 N#CNC(=O)c1ccc(o1)I 3ac1e00bde381d562c973cca04cdcf0d [0,2,0,0,0,0|1,0,1]=4 142 B11R1.29 C#CCNC(=O)c1ccco1 54ff4fbf94cdf57e102cd95c169c2b22 [0,2,0,0,0,0|1,0,0]=3 143 B11R1.29 C#CCNC(=O)c1cccs1 a73f20fac8a22321b114b7ca12fcbd41 [0,2,0,0,0,0|1,1,0]=4 144 B11R1.29 C#CCNC(=O)c1ccno1 08b7f30e229d0b217996365a4e246e2b [0,2,0,0,0,0|2,0,0]=4 145 B11R1.29 C#CCNC(=O)c1cnco1 af04fdd6b0fb654fc6c86f243bcb8e52 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.29 C#CCNC(=O)c1ncco1 de0ccbaabc1e72bd169d003147748fc4 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.29 CCCNC(=O)c1ccco1 d8640482dae316c354eef2e19d31ea28 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.29 CCCNC(=O)c1cccs1 1ae41568b1bb950c7d429998b0d28b35 [0,2,0,0,0,0|1,1,0]=4 149 B11R1.29 CCCNC(=O)c1ccno1 c77a86055203fe3167c7545c3ffd5006 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.29 CCCNC(=O)c1cnco1 4fd1ce58de56a0a6274075bcec5acbfd [0,2,0,0,0,0|2,0,0]=4 151 B11R1.29 CCCNC(=O)c1ncco1 ae748957f37f8038ea8711a85c12e485 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.29 CCOCC(=O)c1ccco1 914a75ebe3137d0727414a3562da2864 [0,2,0,0,0,0|0,1,0]=3 153 B11R1.29 CSCNC(C)c1ccco1 af04926486f46f1ded73f9de1fe05881 [0,2,0,0,0,0|1,0,1]=4 154 B11R1.29 CSCN[C@H](C)c1ccco1 517be0c14aea623e338bc0e28f49ee13 [0,2,0,0,0,0|1,0,1]=4 155 B11R1.29 N#CCNC(=O)c1ccco1 d313d8b0ce76d9c99b94fac6efbe655d [0,2,0,0,0,0|1,0,0]=3 156 B11R1.29 N#CCNC(=O)c1cccs1 13176c523a2d4c2196241743e91c74ce [0,2,0,0,0,0|1,1,0]=4 157 B11R1.29 N#CCNC(=O)c1ccno1 81934f7a43c2838bbfe7d5fdaf673eb4 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.29 N#CCNC(=O)c1cnco1 a56ff5d9836840f52c8df6af6b678b3c [0,2,0,0,0,0|2,0,0]=4 159 B11R1.29 N#CCNC(=O)c1ncco1 f1e9f1f9a677f8bea34273934174e41a [0,2,0,0,0,0|2,0,0]=4 160 B11R1.29 N#CNCC(=O)c1ccco1 7d006b99701e12406ebdf274950972cb [0,2,0,0,0,0|1,0,1]=4 161 B11R1.29 O=C(COCF)c1ccco1 17b6d760525bf4481cd14a7fa5054d49 [0,2,0,0,0,0|0,1,0]=3 162 B11R1.29 O=C(NCCBr)c1ccco1 a0a02576173476b1d0f57aa98df99ffa [0,2,0,0,0,0|1,0,0]=3 163 B11R1.29 O=C(NCCBr)c1cccs1 331cf389663d77aeea0129bf68a2925d [0,2,0,0,0,0|1,1,0]=4 164 B11R1.29 O=C(NCCBr)c1ccno1 9a906130ef97f1cf1826565367a02026 [0,2,0,0,0,0|2,0,0]=4 165 B11R1.29 O=C(NCCBr)c1cnco1 f213b12c539887a7112db4c1eff3b684 [0,2,0,0,0,0|2,0,0]=4 166 B11R1.29 O=C(NCCBr)c1ncco1 ddfe2bffa9dbf30bfc49d06c78a41a13 [0,2,0,0,0,0|2,0,0]=4 167 B11R1.29 O=C(NCCF)c1ccco1 3debe2a549207ec0880069641356d391 [0,2,0,0,0,0|1,0,0]=3 168 B11R1.29 O=C(NCCF)c1cccs1 9dae2ac8adb10fc0a2a428c2efd9277c [0,2,0,0,0,0|1,1,0]=4 169 B11R1.29 O=C(NCCF)c1ccno1 2fc4ae01e473d6e2938d4b854c16bc61 [0,2,0,0,0,0|2,0,0]=4 170 B11R1.29 O=C(NCCF)c1cnco1 0e4d328ade266bcd470550f55f4b8214 [0,2,0,0,0,0|2,0,0]=4 171 B11R1.29 O=C(NCCF)c1ncco1 7b4a48b6dd9dac5dc75cb2f84f090566 [0,2,0,0,0,0|2,0,0]=4 172 B11R1.29 O=C(NCCI)c1ccco1 5f8d286413b9d386aa5f26a345db8e0d [0,2,0,0,0,0|1,0,0]=3 173 B11R1.29 O=C(NCCI)c1cccs1 5c45c09620601b3f7f3d99c70e7c8eec [0,2,0,0,0,0|1,1,0]=4 174 B11R1.29 O=C(NCCI)c1ccno1 33f83caed4e05fa64b2512b71d58eca7 [0,2,0,0,0,0|2,0,0]=4 175 B11R1.29 O=C(NCCI)c1cnco1 c87e910213bc69260e0c8db022a3fb59 [0,2,0,0,0,0|2,0,0]=4 176 B11R1.29 O=C(NCCI)c1ncco1 93d34a67e692c1c193eb6a83e00f8535 [0,2,0,0,0,0|2,0,0]=4 177 B11R1.29 O=C(NCCO)c1ccco1 d1dff333f1685197c7717060e53f80c8 [0,2,0,0,0,0|1,0,0]=3 178 B11R1.29 O=C(NCCO)c1cccs1 188d85a1296df35506e6f58e072aa86e [0,2,0,0,0,0|1,1,0]=4 179 B11R1.29 O=C(NCCO)c1ccno1 d5654daeb27fe7d7448fb88f8a40cd7a [0,2,0,0,0,0|2,0,0]=4 180 B11R1.29 O=C(NCCO)c1cnco1 b61e2bef4acc84ed4e0fe63f8c9498c1 [0,2,0,0,0,0|2,0,0]=4 181 B11R1.29 O=C(NCCO)c1ncco1 a7fbe4f9da9c46d9cd52676527965991 [0,2,0,0,0,0|2,0,0]=4 182 B11R1.29 O=C(NCCS)c1ccco1 32077be75d73ebb14fb9991bd123b7cd [0,2,0,0,0,0|1,0,0]=3 183 B11R1.29 O=C(NCCS)c1cccs1 c2a462f6c11566c870af0f7b13d5fade [0,2,0,0,0,0|1,1,0]=4 184 B11R1.29 O=C(NCCS)c1ccno1 3745e7100d16f98fcf8824204413aee5 [0,2,0,0,0,0|2,0,0]=4 185 B11R1.29 O=C(NCCS)c1cnco1 0f812843e2b307f761a930dbcfa6f774 [0,2,0,0,0,0|2,0,0]=4 186 B11R1.29 O=C(NCCS)c1ncco1 2bf2edf52d3025c34621d30041d2a131 [0,2,0,0,0,0|2,0,0]=4 187 B11R1.199 Cc1ccoc1C(=O)NC#N 598b4321847e40564fd3b3f22ad749bb [0,2,0,0,0,0|1,0,1]=4 188 B11R1.199 N#CNC(=O)c1occc1Br 88cf68484d157a7bb3bdd7cd39b6f883 [0,2,0,0,0,0|1,0,1]=4 189 B11R2.2 c1coc(c1)c2cccs2 4abac38f2c88f9a9da5743d9e634fd9c [0,1,0,1,0,0|1,0,1]=4 190 B11R2.2 c1coc(c1)c2ccns2 6917c371e9f96aabfd63364a1c1ba3c5 [0,1,0,1,0,0|1,0,1]=4 191 B11R2.2 c1coc(c1)c2ccsc2 d6bdeaa78472d76a72f72b9a04287a8c [0,1,0,1,0,0|1,0,1]=4 192 B11R2.2 c1coc(c1)c2ccsn2 d4fadcf6e4f8a7967e698fddeb134462 [0,1,0,1,0,0|1,0,1]=4 193 B11R2.2 c1coc(c1)c2cncs2 9df0c1086134789cdf3bd82bb337e4fe [0,1,0,1,0,0|1,0,1]=4 194 B11R2.2 c1coc(c1)c2cnns2 fbc3741aa2e0213394dd14d1c8767a81 [0,1,0,1,0,0|2,0,0]=4 195 B11R2.2 c1coc(c1)c2cnsc2 97847cc3e2c4de19359e212b6a55584e [0,1,0,1,0,0|2,0,0]=4 196 B11R2.2 c1coc(c1)c2cnsn2 03fbdaf8590f8699a3798d4c49b70793 [0,1,0,1,0,0|2,0,0]=4 197 B11R2.2 c1coc(c1)c2cscn2 085070a50398d58bf9a4aac201df5bf7 [0,1,0,1,0,0|1,0,1]=4 198 B11R2.2 c1coc(c1)c2csnn2 6d22da046020d9f6ea3080c275be4acc [0,1,0,1,0,0|2,0,0]=4 199 B11R2.2 c1coc(c1)c2nccs2 fe05a87d45e4491b093f65b5a1210cba [0,1,0,1,0,0|1,0,1]=4 200 B11R2.2 c1coc(c1)c2ncns2 975ff7f7798456f33cf2f81c9fbdc172 [0,1,0,1,0,0|1,0,1]=4 201 B11R2.2 c1coc(c1)c2ncsn2 146fa40eb63acf915c99b5dec794b0cd [0,1,0,1,0,0|1,0,1]=4 202 B11R2.2 c1coc(c1)c2nncs2 54169f9631cb94ab8edd539064dd5c0e [0,1,0,1,0,0|1,0,1]=4 203 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,0,0,0,0,2|2,0,0]=4 204 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,0,0,0,0,2|2,0,0]=4 205 B11R1.40 CCC(=O)Nc1cccnn1 591c7e40d773c7240b2e6c26eda21683 [0,0,0,0,0,2|2,0,0]=4 206 B11R1.40 CCC(=O)Nc1ccncn1 b77f302a19ddecbb1a61c216faedf774 [0,0,0,0,0,2|2,0,0]=4 207 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,0,0,0,0,2|2,0,0]=4 208 B11R1.25 C#CC(=O)NCc1ccco1 f79a75d4df58eff9958cbaeb2a982bad [0,0,0,0,0,2|1,0,1]=4 209 B11R1.25 C=C(CC)COc1ccco1 8404942ce0c127109105c4a4a2ae6d42 [0,0,0,0,0,2|2,0,0]=4 210 B11R1.25 C=C(COc1ccco1)OC 2bb75599a2450eeb215a4f785b4688eb [0,0,0,0,0,2|1,1,0]=4 211 B11R1.25 C=CC(=O)NCc1ccco1 f8a603b31f64c191fd76f8194a2fbbd6 [0,0,0,0,0,2|1,0,1]=4 212 B11R1.25 CCC(=O)CNc1cccs1 b4fbace754947742811c99821187431d [0,0,0,0,0,2|1,1,0]=4 213 B11R1.25 CCC(=O)CNc1ccno1 88b6fa67dbfd5e0c949f8969664ed5d2 [0,0,0,0,0,2|2,0,0]=4 214 B11R1.25 CCC(=O)CNc1ncco1 76440fc14e6f7ad0dd7140ac3ef610d7 [0,0,0,0,0,2|2,0,0]=4 215 B11R1.25 CCC(=O)COc1ccco1 84a63c846c70eaac9456a85969f85a7b [0,0,0,0,0,2|1,0,0]=3 216 B11R1.25 CCC(=O)COc1cccs1 62a1dd7ee9a489d60b74777043a9f2b4 [0,0,0,0,0,2|1,1,0]=4 217 B11R1.25 CCC(=O)NCc1ccco1 83a3424c0a2cb7e1166334a3685172c7 [0,0,0,0,0,2|1,0,0]=3 218 B11R1.25 CCC(=O)NCc1cccs1 6c557a7153df782ceae55abb6bb418b3 [0,0,0,0,0,2|1,1,0]=4 219 B11R1.25 CCC(=O)NCc1ccno1 58322e28c7a6659b50819a81f4c4c933 [0,0,0,0,0,2|2,0,0]=4 220 B11R1.25 CCC(=O)NCc1cnco1 761288d4d2fa2ef7d951297da2e35f88 [0,0,0,0,0,2|2,0,0]=4 221 B11R1.25 CCC(=O)NCc1ncco1 e578991323529f456c684a1a876e4365 [0,0,0,0,0,2|2,0,0]=4 222 B11R1.25 CNC(=O)CNc1ccco1 9fb8fe20e0faec38b11cfc6e904e8b91 [0,0,0,0,0,2|1,0,0]=3 223 B11R1.25 CNC(=O)CNc1cccs1 6f087d70dc1595761c626ef8cc8ed2e1 [0,0,0,0,0,2|1,1,0]=4 224 B11R1.25 CNC(=O)CNc1ccno1 7de6ef8f9830186d017f4e880d3de9ba [0,0,0,0,0,2|2,0,0]=4 225 B11R1.25 CNC(=O)CNc1ncco1 ceeb9335263c80021a1974fd2776fefd [0,0,0,0,0,2|2,0,0]=4 226 B11R1.25 CNC(=O)COc1ccco1 8de653ac0ba8299d76630db6851014dc [0,0,0,0,0,2|1,0,0]=3 227 B11R1.25 CNC(=O)COc1cccs1 591444907ff3d0e617e25662bdc82222 [0,0,0,0,0,2|1,1,0]=4 228 B11R1.25 COC(=O)CNc1ccco1 3a8934ef990493a0e0bc38424c480317 [0,0,0,0,0,2|0,1,0]=3 229 B11R1.25 COC(=O)CNc1cccs1 59d52dc657b50ac2b04e7700320d3026 [0,0,0,0,0,2|0,2,0]=4 230 B11R1.25 COC(=O)CNc1ccno1 2d1a89cf719dc404cd856267b5c680c3 [0,0,0,0,0,2|1,1,0]=4 231 B11R1.25 COC(=O)CNc1ncco1 feededd87b0a92f1d612ca2091d69650 [0,0,0,0,0,2|1,1,0]=4 232 B11R1.25 COC(=O)COc1ccco1 7e5bb533074d72185d76d28364661292 [0,0,0,0,0,2|0,1,0]=3 233 B11R1.25 COC(=O)COc1cccs1 700d40abb2597ef2d3922f15e3e62a6a [0,0,0,0,0,2|0,2,0]=4 234 B11R1.25 O=C(CF)NCc1ccco1 84588230b201d06c07b9a063871937ae [0,0,0,0,0,2|2,0,0]=4 235 B11R1.25 O=C(CNc1ccco1)NO 0a52081a67fc28cf2437bd0732b582b4 [0,0,0,0,0,2|2,0,0]=4 236 B11R1.25 O=C(CO)NCc1ccco1 df70aa8594e340b9ca90aef387447fda [0,0,0,0,0,2|2,0,0]=4 237 B11R1.25 O=C(CS)NCc1ccco1 cd6653eaf0be7fe394f59c7de3df0476 [0,0,0,0,0,2|2,0,0]=4 238 B11R1.25 O=CC(=O)NCc1ccco1 d2dc8ba1c1dc2bd9370b2891085f68aa [0,0,0,0,0,2|2,0,0]=4