0 B12R1.279 CC(=O)c1cc(ccn1)NCF ef09ecc37b4f6ad68d3570d6c602fb4c [0,1,0,0,0,0|3,0,0]=4 1 B12R1.279 CC(=O)c1cc(ccn1)NCO d1a6371010ad813843c42ad115c6486d [0,1,0,0,0,0|3,0,0]=4 2 B12R1.279 CC(=O)c1cccc(c1)NC#N 3350befe9e6ab731a677d2c6ced2a9dd [0,1,0,0,0,0|2,0,1]=4 3 B12R1.279 CC(=O)c1cccc(c1)NC=O a7d4c07fff0603980e37105f391bfedd [0,1,0,0,0,0|2,0,1]=4 4 B12R1.279 CC(=O)c1cccc(c1)NCF 6b128f592a9bb6434d70f6a554575e19 [0,1,0,0,0,0|2,0,0]=3 5 B12R1.279 CC(=O)c1cccc(c1)NCO e79d36c8714c519604073a7e9714328d [0,1,0,0,0,0|2,0,0]=3 6 B12R1.279 CC(=O)c1cccc(c1)OCF f42ff2902b0e5863f24cbaf744ccb61d [0,1,0,0,0,0|1,0,0]=2 7 B12R1.279 CC(=O)c1cccc(n1)NCF 85caa74989ccea935136762489c765f1 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.279 CC(=O)c1cccc(n1)NCO abe26ffe84710dd3655dc39d2e1192e8 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.279 CC(=O)c1ccnc(c1)NCF daea32b3501725742717f32004e972b3 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.279 CC(=O)c1ccnc(c1)NCO 83432951b9bad5cb20dbed0cb34fed58 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.279 CC(=O)c1cncc(c1)OCF 7fe99178698d2b833f99f52e5e1a276c [0,1,0,0,0,0|2,0,0]=3 12 B12R1.279 CC(C)c1cccc(c1)OCF d613b96fcdc570a26edb71f51cd87db7 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.279 CC(O)c1cccc(c1)NCF 299247b200c63260d2cc437b097b80e6 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.279 CC(O)c1cccc(c1)NCO f24f82d6bfd58b751b38a77e40e2bf4a [0,1,0,0,0,0|2,0,1]=4 15 B12R1.279 CCNc1cc(ccn1)C(=O)C ca873b9a9aa9c710f9954682ec0b352b [0,1,0,0,0,0|3,0,0]=4 16 B12R1.279 CCNc1cc(ccn1)C(=O)N 227f76550c2fa6d0667913f21496b894 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.279 CCNc1cc(ccn1)C(=O)O d1db62fd870db18015ccb09c14a3238a [0,1,0,0,0,0|2,0,0]=3 18 B12R1.279 CCNc1cc(cnn1)C(=O)O 0cee95fb50adc22caa5774960c4b9c73 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.279 CCNc1cc(ncn1)C(=O)O 91f1b347615a81f82d6f276296c5fe5c [0,1,0,0,0,0|3,0,0]=4 20 B12R1.279 CCNc1cccc(c1)C(=O)C 3e2e63d35d5d484da292f2b4ea8d065c [0,1,0,0,0,0|2,0,0]=3 21 B12R1.279 CCNc1cccc(c1)C(=O)N aeed616b57d78051a6a7d43bed32fe9d [0,1,0,0,0,0|2,0,0]=3 22 B12R1.279 CCNc1cccc(c1)C(=O)O 60ed91d60ea3237fabf4a94701e08688 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.279 CCNc1cccc(c1)C(=S)N 6298a3e157ba58994e6bb358f6ff8ff1 [0,1,0,0,0,0|2,1,0]=4 24 B12R1.279 CCNc1cccc(c1)C(C)O 2523eaf5ff9ba28f8a8dbfda90a54a21 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.279 CCNc1cccc(c1)[C@@H](C)O f1cc312387353a7533a230c5e26f89a3 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.279 CCNc1cccc(c1)[N+](=O)[O-] 22ba7980aa6cfb7db2c1862afa410a06 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.279 CCNc1cccc(n1)C(=O)C 5447c2ffc1999bd7cfb0e3722284fa47 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.279 CCNc1cccc(n1)C(=O)N 7170a54bcd701062b5a2be44b588440f [0,1,0,0,0,0|3,0,0]=4 29 B12R1.279 CCNc1cccc(n1)C(=O)O 76b7dd37026af8a2f44ce8cbea2fe7d8 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.279 CCNc1ccnc(c1)C(=O)C 6fd808e4822188e47c9909ef681bfef2 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.279 CCNc1ccnc(c1)C(=O)N 81726ae967f553517391e296d9d74749 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.279 CCNc1ccnc(c1)C(=O)O a732acc00411a249e9de8ba483a92984 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.279 CCNc1ccnc(n1)C(=O)O a696e35377486d4d4f6d4ebbe2b5650b [0,1,0,0,0,0|3,0,0]=4 34 B12R1.279 CCNc1cncc(c1)C(=O)N 1c4bcea8843586c5cbb2e75d59df9641 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.279 CCNc1cncc(c1)C(=O)O 1604f0a893f3ebe62bb47db31ceed40a [0,1,0,0,0,0|2,0,0]=3 36 B12R1.279 CCNc1cncc(n1)C(=O)O 092fb9cd17edd466f8ae3217aca8a5ae [0,1,0,0,0,0|3,0,0]=4 37 B12R1.279 CCNc1nccc(n1)C(=O)O 1280b8f3e5a1844a4572b35313320e7b [0,1,0,0,0,0|3,0,0]=4 38 B12R1.279 CCOc1cc(ccn1)C(=O)O 87ddcc80552a353a8a7320f59c904632 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.279 CCOc1cc(ccn1)[N+](=O)[O-] 3a2e65b14848eaa9a092ad0da90b8e6b [0,1,0,0,0,0|2,0,1]=4 40 B12R1.279 CCOc1cc(ncn1)C(=O)N 2100baf80e824141c31283148708cc72 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.279 CCOc1cc(ncn1)C(=O)O 51981d73b78fff6eb4f7ff89309f5765 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.279 CCOc1cccc(c1)C(=O)C 318296c0ec02dfbe810a382ac505f5f3 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.279 CCOc1cccc(c1)C(=O)N 78e78dd5cc1adb0e63ceab04724d2f6e [0,1,0,0,0,0|1,0,0]=2 44 B12R1.279 CCOc1cccc(c1)C(=O)O 9fe956bbd42b12e2b3cab7694f3d9e64 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.279 CCOc1cccc(c1)C(=S)N a5adb2e2498c5c13de2caad530d0b899 [0,1,0,0,0,0|1,1,0]=3 46 B12R1.279 CCOc1cccc(c1)C(C)C 12a9ddf98b49a709e6dea7d5e3af7ee4 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.279 CCOc1cccc(c1)C(F)F 565c6ba0cfa945f44f902c422b0c8059 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.279 CCOc1cccc(c1)N(C)C e5861d1305db304905e9aaac91b50026 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 3cf357f803818d695c1fdec41c125bdf [0,1,0,0,0,0|1,0,1]=3 50 B12R1.279 CCOc1cccc(n1)C(=O)N 27452b9f7387544fcbf9eab46bde7937 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.279 CCOc1cccc(n1)C(=O)O e2852e8af7cb55fb66d9f83bf2f138ef [0,1,0,0,0,0|1,0,0]=2 52 B12R1.279 CCOc1cccc(n1)[N+](=O)[O-] 62d36fd86fbb121bb47b226728b433ca [0,1,0,0,0,0|2,0,1]=4 53 B12R1.279 CCOc1ccnc(c1)C(=O)O e82e73c203a285717a2f86d67979d755 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.279 CCOc1ccnc(c1)[N+](=O)[O-] c4d85685ae6049b0e2c639172b18bd11 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.279 CCOc1cncc(c1)C(=O)C dcf9b10ab7ae79b37e4eefe4edac3edf [0,1,0,0,0,0|2,0,0]=3 56 B12R1.279 CCOc1cncc(c1)C(=O)N a62eea6a84c9cd731bc0b038f00d2d4b [0,1,0,0,0,0|2,0,0]=3 57 B12R1.279 CCOc1cncc(c1)C(=O)O 225ac4a9a1c626a891f619ffc1b65d57 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.279 CN(C)c1cccc(c1)OCF 87abecb1e7681135b064266f2eeec96e [0,1,0,0,0,0|3,0,0]=4 59 B12R1.279 C[C@@H](O)c1cccc(c1)NCF 871927140a57492b842c21ed1a496b83 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.279 C[C@@H](O)c1cccc(c1)NCO b9044699df779c93f2a9867c11b6eaec [0,1,0,0,0,0|2,0,1]=4 61 B12R1.279 FCOc1cccc(c1)C(F)F 9dfffc83467f4ee247c440d8f1f87e7a [0,1,0,0,0,0|2,0,1]=4 62 B12R1.279 NC(=O)c1cc(ccn1)NCF bad16245f2df847242376beebd3be1a6 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.279 NC(=O)c1cc(ccn1)NCO f6314c4c1d6690c7fe8ebff9889e47ff [0,1,0,0,0,0|3,0,0]=4 64 B12R1.279 NC(=O)c1cc(ncn1)OCF e256baf804f971aa324b6d44a88109e2 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.279 NC(=O)c1cccc(c1)NC=O 808027214fbe834910cdde82cf013745 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.279 NC(=O)c1cccc(c1)NCF a95948e28e6b4cc5b7908017747eaceb [0,1,0,0,0,0|2,0,0]=3 67 B12R1.279 NC(=O)c1cccc(c1)NCO 79cf549b271ce4e9bdab4487fd16f73a [0,1,0,0,0,0|2,0,0]=3 68 B12R1.279 NC(=O)c1cccc(c1)OCF d84ad54af88b89eeee1e1c4d561ae2de [0,1,0,0,0,0|1,0,0]=2 69 B12R1.279 NC(=O)c1cccc(n1)NCF 1381d8878ea570ebb980d556d609088d [0,1,0,0,0,0|3,0,0]=4 70 B12R1.279 NC(=O)c1cccc(n1)NCO 7fd4b2a7d7aef5530d37a0063b89dbe8 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.279 NC(=O)c1cccc(n1)OCF a7d96b2721727e0bb1ef58632075de13 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.279 NC(=O)c1ccnc(c1)NCF 32014b863283575e26ec1ea708635b3e [0,1,0,0,0,0|3,0,0]=4 73 B12R1.279 NC(=O)c1ccnc(c1)NCO 2c115e993ea8a964b616a0a1bcf78ab0 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.279 NC(=O)c1cncc(c1)NCF bb7e55b319f6480d78754bc55a754f5d [0,1,0,0,0,0|3,0,0]=4 75 B12R1.279 NC(=O)c1cncc(c1)NCO c53baa3d643eb1a05f296a8f0f54f4d1 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.279 NC(=O)c1cncc(c1)OCF 34d1208e0acf87e47fa3c7136a9625c9 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.279 NC(=S)c1cccc(c1)NCF d5b7365826ad45e8b0dab45a82974fa2 [0,1,0,0,0,0|2,1,0]=4 78 B12R1.279 NC(=S)c1cccc(c1)NCO 13c10145b112bb045f141572a1927f69 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.279 NC(=S)c1cccc(c1)OCF 1640965ea1c7a317546b5cfe94e02159 [0,1,0,0,0,0|1,1,0]=3 80 B12R1.279 O=C(O)c1cc(ccn1)NCF 3094afafc8ef0c9522c10c881e76a919 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.279 O=C(O)c1cc(ccn1)NCO a21983bcdb270b47a71430ae43e52394 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.279 O=C(O)c1cc(ccn1)OCF 7ea0eef8ba6cc98578a92ecdda29e36d [0,1,0,0,0,0|1,0,0]=2 83 B12R1.279 O=C(O)c1cc(ncn1)NCF d8d2483651ffaace462c7e5b50915694 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.279 O=C(O)c1cc(ncn1)NCO 1f5028cb950e53ccd3f5d2b08b177199 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.279 O=C(O)c1cc(ncn1)OCF e5dc1f482316832fafed51760ea6d99d [0,1,0,0,0,0|2,0,0]=3 86 B12R1.279 O=C(O)c1cccc(c1)NCF 20db4dc21f1814b01f986abf27cb7413 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.279 O=C(O)c1cccc(c1)NCO 2ed5681af03b5fc357f16f5e624da5aa [0,1,0,0,0,0|1,0,0]=2 88 B12R1.279 O=C(O)c1cccc(c1)OCF cea9eeeaed82f83e1b2260b1e8990138 [0,1,0,0,0,0|0,0,0]=1 89 B12R1.279 O=C(O)c1cccc(n1)NCF d6ce9b3f9e96da1c3e71879843058524 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.279 O=C(O)c1cccc(n1)NCO 3ad10288c3e952f6bb6ec40eaea2d96a [0,1,0,0,0,0|2,0,0]=3 91 B12R1.279 O=C(O)c1cccc(n1)OCF de1b5b74455f68f148935e4e4eb028fb [0,1,0,0,0,0|1,0,0]=2 92 B12R1.279 O=C(O)c1ccnc(c1)NCF add0fe156b2f2718959166e1078237b1 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.279 O=C(O)c1ccnc(c1)NCO d3fb8830adfa3ddaf36330ee0b684bb7 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.279 O=C(O)c1ccnc(c1)OCF 9ceee52d352da886051035c4b9a53380 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.279 O=C(O)c1ccnc(n1)NCF 2189970ca9c30839536ada689046d974 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.279 O=C(O)c1ccnc(n1)NCO 2e25c4aa330019ae32e2d7f4b2dba246 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.279 O=C(O)c1cncc(c1)NCF 3d014cd9da5695cd3b93ded102e86581 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.279 O=C(O)c1cncc(c1)NCO f117209a7f850c016c842328c402703a [0,1,0,0,0,0|2,0,0]=3 99 B12R1.279 O=C(O)c1cncc(c1)OCF ff131fd8cca6ea6b17f2ce86d0a1a867 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.279 O=C(O)c1cncc(n1)NCF e7a205edb4e591a3b926b10eca533feb [0,1,0,0,0,0|3,0,0]=4 101 B12R1.279 O=C(O)c1cncc(n1)NCO 5a0568a4aeef22609b3d899b154014d6 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.279 O=C(O)c1cnnc(c1)NCF dff4b572c638e358292596a858e52768 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.279 O=C(O)c1cnnc(c1)NCO 11dafe11035752d4cab456a66c6096a9 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.279 O=C(O)c1nccc(n1)NCF 5a3de1e568c3cceac1dd84e551a1c55c [0,1,0,0,0,0|3,0,0]=4 105 B12R1.279 O=C(O)c1nccc(n1)NCO fadcb6f47b0d34ece79dededc9618aa5 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.279 O=[N+]([O-])c1cc(ccn1)OCF 02c9f28d7d9296ff5fc01b1ff6b3dc42 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.279 O=[N+]([O-])c1cccc(c1)NCF b3d61b97e472cdbc1cb885decf6b961b [0,1,0,0,0,0|2,0,1]=4 108 B12R1.279 O=[N+]([O-])c1cccc(c1)NCO 2402f6dbbedafe0c7fa49cf50f8e08a0 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF aae7810a4a98eeee1a3b184b8e73a872 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.279 O=[N+]([O-])c1cccc(n1)OCF e9fc307d7b6fb271ba0fa0c81c2087da [0,1,0,0,0,0|2,0,1]=4 111 B12R1.279 O=[N+]([O-])c1ccnc(c1)OCF 56995ae60b131cd186101691da5bb8bd [0,1,0,0,0,0|2,0,1]=4 112 B12R1.435 CCN(C)c1cccc(c1)OC 0aff2a02bfb874f95c191d1f67ddaca8 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.435 CCc1cccc(c1)N(C)C=O ba0e46fef3be2b0db24bfbeb89fc04c4 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.435 CCc1cccc(c1)N(C)CO e6cfd9dffe6373c66ebdcdfeb361783a [0,1,0,0,0,0|3,0,0]=4 115 B12R1.435 COc1cc(ccn1)N(C)C=O 6711c310ec799a85c0c7c7f6aedb12bc [0,1,0,0,0,0|3,0,0]=4 116 B12R1.435 COc1cc(ccn1)N(C)CO eff3cddf24c6ecf4ad519352ca1b4d8c [0,1,0,0,0,0|3,0,0]=4 117 B12R1.435 COc1cccc(c1)N(C)C=O e26b6fb206f443ff9af50b90ef925989 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.435 COc1cccc(c1)N(C)CF 810aaa528e097451644610d6c8ed0b75 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.435 COc1cccc(c1)N(C)CO d63dda4f9e5da02f1f21f17376aad17e [0,1,0,0,0,0|2,0,0]=3 120 B12R1.435 COc1ccnc(c1)N(C)C=O 17441503c28f4a5c84806d36484c7ebb [0,1,0,0,0,0|3,0,0]=4 121 B12R1.435 COc1ccnc(c1)N(C)CO a00bdb6436811e2d811bc7f8d191962d [0,1,0,0,0,0|3,0,0]=4 122 B12R1.435 COc1cncc(c1)N(C)CO 6df271d1ce1b9306a4f6b75f4a7c2b3e [0,1,0,0,0,0|3,0,0]=4 123 B12R1.435 CSc1cccc(c1)N(C)C=O d44c3c3ccc58da03dcfe31b407f85179 [0,1,0,0,0,0|2,1,0]=4 124 B12R1.435 CSc1cccc(c1)N(C)CO 098a61ce5395ee4af474df03bcc6cf09 [0,1,0,0,0,0|2,1,0]=4 125 B12R1.438 C#Cc1cccc(c1)NC(=O)C a70782516101ac1fd4500a34844ce1f7 [0,0,0,0,0,1|2,0,1]=4 126 B12R1.438 C=Cc1cccc(c1)NC(=O)C a9fab14f38c136b2ae8e0c3225da98f4 [0,0,0,0,0,1|2,0,1]=4 127 B12R1.438 CC(=O)Nc1cccc(c1)C#N 6769c8837121f4c89714388f40f62950 [0,0,0,0,0,1|3,0,0]=4 128 B12R1.438 CC(=O)Nc1cccc(c1)CBr d0b7cf7874f3fd97421750cfec39e009 [0,0,0,0,0,1|3,0,0]=4 129 B12R1.438 CC(=O)Nc1cccc(c1)CF 97a230bc3824ea648865f73b5dfc68ce [0,0,0,0,0,1|3,0,0]=4 130 B12R1.438 CC(=O)Nc1cccc(c1)CO 0ad40df74383cfea037b41c01bcadc75 [0,0,0,0,0,1|3,0,0]=4 131 B12R1.438 CCc1cc(ccn1)NC(=O)C 605fec427da88aad8757194b01e47559 [0,0,0,0,0,1|3,0,0]=4 132 B12R1.438 CCc1cccc(c1)NC(=O)C 15904dc358d5d298ca31f04f6e829788 [0,0,0,0,0,1|2,0,0]=3 133 B12R1.438 CCc1cccc(n1)NC(=O)C 42e310931a813822c503c6c3246cd367 [0,0,0,0,0,1|3,0,0]=4 134 B12R1.438 CCc1ccnc(c1)NC(=O)C e31dcb12ecd55c648151d8b7541a3fb2 [0,0,0,0,0,1|3,0,0]=4 135 B12R1.438 CCc1cncc(c1)NC(=O)C 82bd55cdf14108766e5351bcc44ff319 [0,0,0,0,0,1|3,0,0]=4 136 B12R1.438 COc1cc(ccn1)NC(=O)C 04c5c7138beae8cce96ca6f2766375a7 [0,0,0,0,0,1|2,0,0]=3 137 B12R1.438 COc1cc(cnn1)NC(=O)C d47ec950105eae861f146bf73e5423ab [0,0,0,0,0,1|3,0,0]=4 138 B12R1.438 COc1cccc(c1)NC(=O)C b2a978843f09ac312d631a800d1ded40 [0,0,0,0,0,1|1,0,0]=2 139 B12R1.438 COc1cccc(c1)NC(C)C d213ee741fc293232afa2f08da10a83a [0,0,0,0,0,1|2,0,1]=4 140 B12R1.438 COc1cccc(c1)OC(C)C 6f8c6ff1542b239a8405bb976aacd35e [0,0,0,0,0,1|2,0,1]=4 141 B12R1.438 COc1cccc(n1)NC(=O)C a356bb5273bc495429fc19dddcf1229e [0,0,0,0,0,1|2,0,0]=3 142 B12R1.438 COc1ccnc(c1)NC(=O)C b8301c048c6b1899274689958da41f17 [0,0,0,0,0,1|2,0,0]=3 143 B12R1.438 COc1cncc(n1)NC(=O)C 6874ea71d0a9e12d333309caed4906ac [0,0,0,0,0,1|3,0,0]=4 144 B12R1.438 COc1nccc(n1)NC(=O)C 07cd1f4bb356679884c2fcba86d6467e [0,0,0,0,0,1|3,0,0]=4 145 B12R1.438 CSc1cc(ccn1)NC(=O)C 09f55a8076979ac91556d00325a6e616 [0,0,0,0,0,1|2,1,0]=4 146 B12R1.438 CSc1cccc(c1)NC(=O)C 200dd94b08e0817c1b39f2dfef8bc40b [0,0,0,0,0,1|1,1,0]=3 147 B11R1.23 CN(C=O)c1cccc(c1)O 61c55a3ac80552d55fb98f08b327401d [1,1,0,0,0,0|2,0,0]=4 148 B11R1.23 Cc1cccc(c1)N(C)C=O 8d3d604d6ddb9f04039aac9ce5e10e5e [1,1,0,0,0,0|2,0,0]=4 149 B11R1.189 C#Cc1cccc(c1)NC=O d560bf880fadf8aabb3c6b7c18491311 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.189 C#Cc1cccc(c1)OCC 9353341a71b76ccaeba39912ad4fe502 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.189 C#Cc1cccc(c1)OCF 12629024bccb6d2a2043433dd8e31dd6 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.189 C=Cc1cccc(c1)NC=O d390be8c626939d5b002900be8760a58 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.189 C=Cc1cccc(c1)NCC 9f4512008c7efb1c7253c34fdfc2f2e7 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.189 C=Cc1cccc(c1)NCF b49f0dbefa702b5ddcc1cf0bdf953985 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.189 C=Cc1cccc(c1)NCO d2e136f529616cf68036f77e7debbd47 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.189 C=Cc1cccc(c1)OCC 0c905d2d0400afe17575003294fbe863 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.189 C=Cc1cccc(c1)OCF 2a3bb4737057fee92fd9ac16bcf13c47 [1,1,0,0,0,0|1,0,0]=3 158 B11R1.189 CCNc1cccc(c1)CO 9ca3b87fe262eee5af92041d3afad00f [1,1,0,0,0,0|1,0,1]=4 159 B11R1.189 CCNc1cccc(c1)OC ebc8feaab59bdc7e74a455c3e62f543a [1,1,0,0,0,0|1,0,1]=4 160 B11R1.189 CCNc1cccc(n1)C=O f39f304380d6567abfc0e2be8f7c3942 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.189 CCOc1cc(ccn1)C=O 7da8db837d81486d5a54259cb23dddd7 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.189 CCOc1cc(ncn1)C=O e05e460188352b21438d7c71123391c7 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.189 CCOc1cccc(c1)C#N 7ef82c2d02e84883b91e8bc02a3bdd10 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.189 CCOc1cccc(c1)C=O dc5abb90be9ad07b6da20b75593f9b87 [1,1,0,0,0,0|0,0,0]=2 165 B11R1.189 CCOc1cccc(c1)CC 22926f3af32751a3971fc11ade23471c [1,1,0,0,0,0|1,0,1]=4 166 B11R1.189 CCOc1cccc(c1)OC 58280a708e8a92b6daea49e4e49dce50 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.189 CCOc1cccc(c1)SC 6db1e97dac1c125e91e43d17a7d89f15 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.189 CCOc1cncc(c1)C=O 43d2ea3b0f4792e697ae0e0a8beba353 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.189 CCc1cc(ccn1)NC=O c4f70e1ffe6295df7e95a403a627babe [1,1,0,0,0,0|2,0,0]=4 170 B11R1.189 CCc1cccc(c1)NC=O 9094dc259bbd7e82923db82a7803ad8f [1,1,0,0,0,0|1,0,0]=3 171 B11R1.189 CCc1cccc(c1)NCO 02cad0dc79fdcd36fae84d057ff27df9 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.189 CCc1cccc(c1)OCF 02024f7b3f4dbd26aa661fc17aac356d [1,1,0,0,0,0|1,0,1]=4 173 B11R1.189 CCc1cccc(n1)NC=O 1278297b40e5e0c9fdc14497080f2fbf [1,1,0,0,0,0|2,0,0]=4 174 B11R1.189 CCc1ccnc(c1)NC=O 28c1b30a439587e699e9789bc529b155 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.189 CCc1cncc(c1)NC=O bd91e87e68c0331cce113a74235b5a3d [1,1,0,0,0,0|2,0,0]=4 176 B11R1.189 COc1cc(ccn1)NC=O 7bea982c56e833d137d4718ca8d8c5e6 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.189 COc1cc(ccn1)NCO c10fcdc35bcfb819551feac610af9ee0 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.189 COc1cc(cnn1)NC=O 8c7315ae78ae3e4a64998a30a07500e9 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.189 COc1cccc(c1)NC=O 88669f238af47faaa49b5152af83bc5c [1,1,0,0,0,0|0,0,0]=2 180 B11R1.189 COc1cccc(c1)NCF 97a6aa512ca60f6eb9188be23f0c40a9 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.189 COc1cccc(c1)NCO c1f0fd49d1bd8ecf80c434597b326f9a [1,1,0,0,0,0|0,0,1]=3 182 B11R1.189 COc1cccc(c1)OCF 215a8d1b0349806892d213366e6f4ebc [1,1,0,0,0,0|1,0,1]=4 183 B11R1.189 COc1cccc(n1)NC=O 0fe99ef4f4e6373d87ce56a22fb98ff2 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.189 COc1cccc(n1)NCO 4658804ab930dcea9ee44e9e4483e434 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.189 COc1ccnc(c1)NCO d8bc0d49414c54d8412e45686280ac48 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.189 COc1cncc(c1)NC=O 09fd78f5150159f0d2ec6caba97b1017 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.189 COc1cncc(c1)NCO 1bc0411ba0fe5597f68a817fd7fea8c1 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.189 COc1cncc(n1)NC=O b29f9429ee0e13f37e302735a1cadfd2 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.189 COc1nccc(n1)NC=O ee01b0754e4b81ff052e66227a8e3807 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.189 CSc1cc(ccn1)NC=O f6db45bb3ed2e7bc3da3652a1a743ac0 [1,1,0,0,0,0|1,1,0]=4 191 B11R1.189 CSc1cccc(c1)NC=O 5d2f903512d8482ea199c601c4a2bc53 [1,1,0,0,0,0|0,1,0]=3 192 B11R1.189 CSc1cccc(c1)NCO ca04ab634de1d8deab13484f48bf68a5 [1,1,0,0,0,0|0,1,1]=4 193 B11R1.189 CSc1cccc(c1)OCF ab89d49c43ceb1e2ff44f89cdac15c7d [1,1,0,0,0,0|2,0,0]=4 194 B11R1.189 N#CNc1cccc(c1)C=O 9ff492c5abbf238f9bbb533bdab14ca7 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.189 N#Cc1cccc(c1)NC=O 61ee62a69e5df634e3f02f0b86da5557 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.189 N#Cc1cccc(c1)OCF a20c5dce363cf547336184b7489da77f [1,1,0,0,0,0|1,0,1]=4 197 B11R1.189 O=CNc1cccc(c1)CBr 99aced6ed332e38fd94c862aacf2b8de [1,1,0,0,0,0|2,0,0]=4 198 B11R1.189 O=CNc1cccc(c1)CF cbc17a5a9fff8078273e1be8acfafde6 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.189 O=CNc1cccc(c1)CO 8267af37baeb9431495a04b29264a686 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.189 O=Cc1cc(ncn1)OCF 362fd5497dcdb69bfaddaa869ce900ef [1,1,0,0,0,0|2,0,0]=4 201 B11R1.189 O=Cc1cccc(c1)OCF 1ceb7478e534724550c02919a697817d [1,1,0,0,0,0|0,0,0]=2 202 B11R1.189 O=Cc1cccc(n1)NCF 31ae8634b2b291572462708d08960ff1 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.189 O=Cc1cccc(n1)NCO dc10c0a04215832c0c67b8945803d5e8 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.189 O=Cc1ccnc(c1)OCF b2cd9c36840da1e1b813364f103b3004 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.189 O=Cc1cncc(c1)OCF 2f83e8403dad183551c52d33c0f437b7 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.189 OCNc1cccc(c1)CO fa8058082ca34f65f404d28ef190253e [1,1,0,0,0,0|1,0,1]=4 207 B11R1.189 OCc1cccc(c1)NCF b1bea62507d48e4a0290cc950f49921f [1,1,0,0,0,0|1,0,1]=4 208 B11R1.124 CCNc1c[nH]c(c1)C(=O)O dccfae20b3cc76cce5c611da31db3fc8 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.124 CCNc1ccc([nH]1)C(=O)O 55f95bc72ed8cf0b7c8cfe58e1f7692e [0,1,0,0,1,0|2,0,0]=4 210 B11R1.124 CCNc1csc(c1)C(=O)O 02903236ea637b7925550221dd745eb6 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.124 CCOc1cc(on1)C(=O)O 8f61c5d148e0409aee74310c0729e9e0 [0,1,0,0,1,0|2,0,0]=4 212 B11R1.124 CCOc1csc(c1)C(=O)O c38a195fe4cc00447bb8290004c881a8 [0,1,0,0,1,0|1,0,0]=3 213 B11R1.124 CCOc1nc(c[nH]1)C(=O)O 79a7724073222cd0aa3a91e55fa82f5e [0,1,0,0,1,0|2,0,0]=4 214 B11R1.124 CCOc1ncc(o1)C(=O)O 3b695c78673ca00bf7de5dcf5207985c [0,1,0,0,1,0|2,0,0]=4 215 B11R1.124 O=C(O)c1c[nH]c(n1)OCF 7436bc3857eb6523f37b4c0627b86d56 [0,1,0,0,1,0|2,0,0]=4 216 B11R1.124 O=C(O)c1cc(c[nH]1)NCF fe113b671133802a0380563834c5431f [0,1,0,0,1,0|2,0,0]=4 217 B11R1.124 O=C(O)c1cc(c[nH]1)NCO 341b8ac1125f3f15bbde278492067a47 [0,1,0,0,1,0|2,0,0]=4 218 B11R1.124 O=C(O)c1cc(cs1)NCF 4d6f80dcb4987ceb0717a266bc65ec90 [0,1,0,0,1,0|2,0,0]=4 219 B11R1.124 O=C(O)c1cc(cs1)NCO 1ab22627027c840a46e7f847ef7cbf24 [0,1,0,0,1,0|2,0,0]=4 220 B11R1.124 O=C(O)c1cc(cs1)OCF 66c1610ad851c25db8d7e73392562ff8 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.124 O=C(O)c1cc(no1)OCF 9acbcaa3e8a72a27de6e5a35990c82a3 [0,1,0,0,1,0|2,0,0]=4 222 B11R1.124 O=C(O)c1ccc([nH]1)NCF 2abd77650feae958a898ee1db3c214ce [0,1,0,0,1,0|2,0,0]=4 223 B11R1.124 O=C(O)c1ccc([nH]1)NCO 1db329be575638887febdf86863cb671 [0,1,0,0,1,0|2,0,0]=4 224 B11R1.124 O=C(O)c1cnc(o1)OCF 87a1c091ed169df1e6212495f2b2cecc [0,1,0,0,1,0|2,0,0]=4 225 B11R1.193 CC(=O)c1sccc1OCF 2471377088bfc8f0871201044b2067b4 [0,1,0,0,1,0|2,0,0]=4 226 B11R1.193 CCNc1ccsc1C(=O)O 3706ac313ad810e4036ec36833d294ab [0,1,0,0,1,0|2,0,0]=4 227 B11R1.193 CCNc1cscc1C(=O)O 38de31d4e6e76600f8d5affecbfef2eb [0,1,0,0,1,0|2,0,0]=4 228 B11R1.193 CCNc1sccc1C(=O)O 23e0578146fcc9d31bfc8187826e142f [0,1,0,0,1,0|2,0,0]=4 229 B11R1.193 CCOc1ccsc1C(=O)C 78c6316a803a61759033f5c1b936826c [0,1,0,0,1,0|2,0,0]=4 230 B11R1.193 CCOc1ccsc1C(=O)O 668fe112dc1509d7263b288284e72035 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.193 O=C(O)c1ccsc1NCF 44d22db51a5b5592eacf8ede3a7586ca [0,1,0,0,1,0|2,0,0]=4 232 B11R1.193 O=C(O)c1ccsc1NCO 7a67c6e43cd57ca2a573fa1e69f7153d [0,1,0,0,1,0|2,0,0]=4 233 B11R1.193 O=C(O)c1cscc1NCF b6433479803d2f919001a8dfd5b3ba77 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.193 O=C(O)c1cscc1NCO d9bbe2c9573c5f95b2762905801de1ba [0,1,0,0,1,0|2,0,0]=4 235 B11R1.193 O=C(O)c1sccc1NCF b6d2df52b31c99260929942fa0ac6a97 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.193 O=C(O)c1sccc1NCO 8e8f212ee97b21aa77bb6b75eaab5e6d [0,1,0,0,1,0|2,0,0]=4 237 B11R1.193 O=C(O)c1sccc1OCF 40e8fe7f3452ba32f2c43c8fb239c412 [0,1,0,0,1,0|1,0,0]=3 238 B13R1.52 CCc1cc(ccc1F)NC(=O)C 0948b8d037d4e410165c82b83a9b07ee [0,1,0,0,0,1|2,0,0]=4 239 B13R1.52 COc1cc(ccc1C)NC(=O)C ca533ba197d6583845971f38a3ae1c7b [0,1,0,0,0,1|1,0,0]=3 240 B13R1.52 COc1cc(ccc1I)NC(=O)C 313235f9014eb5941f56ad430c0c78dc [0,1,0,0,0,1|1,0,0]=3 241 B13R1.52 COc1nc(ccc1I)NC(=O)C a0b1c2db0859a464c2a1abef7e23caa8 [0,1,0,0,0,1|2,0,0]=4 242 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 4cfae37bf964bf331ac3e7f552c35cf8 [0,1,0,0,0,1|1,0,0]=3 243 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 14a673e1b482d6cbf0c758eed4c4fa0d [0,1,0,0,0,1|1,0,0]=3 244 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 3fdbb759f68676734eddb19fafed6c77 [0,1,0,0,0,1|1,0,0]=3 245 B13R1.56 COc1cc(cc(c1)NC(=O)C)I f5f55bd7649bbeda566e72a61dd79637 [0,1,0,0,0,1|1,0,0]=3 246 B13R1.56 COc1cc(cc(c1)NC(=O)C)O d4692822067b7e5d42b9646ed90fdddc [0,1,0,0,0,1|1,0,0]=3 247 B13R1.81 C#CC(=O)Nc1cc(ccn1)OC 321a6a20ec4b2a4e05f30fd7425b6a33 [0,1,0,0,0,1|2,0,0]=4 248 B13R1.81 C#CC(=O)Nc1cccc(c1)CC 36d037451dfebdf6a5024fe165dc789e [0,1,0,0,0,1|2,0,0]=4 249 B13R1.81 C#CC(=O)Nc1cccc(c1)OC 1ba61cf40969414a4b0bb77e9bf95d6f [0,1,0,0,0,1|1,0,0]=3 250 B13R1.81 C#CC(=O)Nc1cccc(c1)SC 1ddbf39292492f139ef5876c504e3f94 [0,1,0,0,0,1|1,1,0]=4 251 B13R1.81 C#CC(=O)Nc1cccc(n1)OC d1551b7584d2dd2e9a634487e8008b83 [0,1,0,0,0,1|2,0,0]=4 252 B13R1.81 C#CC(=O)Nc1ccnc(c1)OC 52a6d424249e68f9bcad00b4fa2fe347 [0,1,0,0,0,1|2,0,0]=4 253 B13R1.81 C#CC(=O)Nc1cncc(c1)OC dd66f63bee8dd789ff0cb56029fd7419 [0,1,0,0,0,1|2,0,0]=4 254 B13R1.81 C=CC(=O)Nc1cc(ccn1)OC 39e9ebf41d786c857ec9220150805426 [0,1,0,0,0,1|2,0,0]=4 255 B13R1.81 C=CC(=O)Nc1cccc(c1)CC 428faa961eb0f4bb604fc3a1a0283964 [0,1,0,0,0,1|2,0,0]=4 256 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 8b044c34308c71fb0996d186778d3fe1 [0,1,0,0,0,1|1,0,0]=3 257 B13R1.81 C=CC(=O)Nc1cccc(c1)SC d4fc8ace33e45d786ea1e3b441a2816a [0,1,0,0,0,1|1,1,0]=4 258 B13R1.81 C=CC(=O)Nc1cccc(n1)OC 3e03459be06d9a76b6c943ab13769018 [0,1,0,0,0,1|2,0,0]=4 259 B13R1.81 C=CC(=O)Nc1ccnc(c1)OC 8842755dfd29da2183ddcce2193cc97c [0,1,0,0,0,1|2,0,0]=4 260 B13R1.81 C=CC(=O)Nc1cncc(c1)OC ddc09d1e5a0aa538cb8d79ddadbace36 [0,1,0,0,0,1|2,0,0]=4 261 B13R1.81 CCC(=O)Nc1cccc(c1)CC 05b443a2d8d87bd4d58abb8db2a2e7b6 [0,1,0,0,0,1|2,0,0]=4 262 B13R1.81 CCC(=O)Nc1cccc(c1)OC a3607f1505cc742d946726c7d542475e [0,1,0,0,0,1|1,0,0]=3 263 B13R1.81 CCC(=O)Nc1cccc(n1)OC 53f17f2998001b666c40c2e8bd2e3730 [0,1,0,0,0,1|2,0,0]=4 264 B13R1.81 CCc1cc(ccn1)NC(=O)CO 5f5d9a119a4ab87da7fdc4373ce96394 [0,1,0,0,0,1|2,0,0]=4 265 B13R1.81 CCc1cccc(c1)NC(=O)C=O e97c6c5a2421e362627626e78588ef29 [0,1,0,0,0,1|1,0,1]=4 266 B13R1.81 CCc1cccc(c1)NC(=O)CF ee3f4b1ae6fa521ce49c5b4ca8893fd9 [0,1,0,0,0,1|2,0,0]=4 267 B13R1.81 CCc1cccc(c1)NC(=O)CO 74b06f90c1533fc6645ba3d1122b7223 [0,1,0,0,0,1|1,0,0]=3 268 B13R1.81 CCc1cccc(c1)NC(=O)CS a67a13db1222c4297ff4e3e44fbf6e1e [0,1,0,0,0,1|1,1,0]=4 269 B13R1.81 CCc1cccc(n1)NC(=O)CO c8c0ce747c9478a86610917186617b46 [0,1,0,0,0,1|2,0,0]=4 270 B13R1.81 CCc1ccnc(c1)NC(=O)CO 862c82739718c0dd3bdd9b657b175a28 [0,1,0,0,0,1|2,0,0]=4 271 B13R1.81 CCc1cncc(c1)NC(=O)CO 7a30352e9dfb450c7de54fb93fb1c768 [0,1,0,0,0,1|2,0,0]=4 272 B13R1.81 COc1cc(ccn1)NC(=O)C=O f2ae77b7c2a8a3b63929bb353a3d0451 [0,1,0,0,0,1|1,0,1]=4 273 B13R1.81 COc1cccc(c1)CN(C)C=O 7cd6d86d5f2a58dcd0be39f3ad5676f9 [0,1,0,0,0,1|2,0,0]=4 274 B13R1.81 COc1cccc(c1)CN(C)CO edae10d58631ddd19ea2b99e791a3ebd [0,1,0,0,0,1|2,0,0]=4 275 B13R1.81 COc1cccc(c1)NC(=O)C=O 6f550f7b614d45e432454165216ee42d [0,1,0,0,0,1|0,0,1]=3 276 B13R1.81 COc1cccc(c1)NC(C)C=O cc367d0e5ea3c169201ed871479c2963 [0,1,0,0,0,1|1,0,1]=4 277 B13R1.81 COc1cccc(c1)NC(C)CO 3a2413047442d8ac144cbcf3cc3ef4d5 [0,1,0,0,0,1|1,0,1]=4 278 B13R1.81 COc1cccc(c1)N[C@@H](C)CO 26f55734ac0145bcb80c3d966f74be80 [0,1,0,0,0,1|1,0,1]=4 279 B13R1.81 COc1cccc(c1)N[C@H](C)C=O fa5daf5e7de2fec6a3d449d50aced0ed [0,1,0,0,0,1|1,0,1]=4 280 B13R1.81 COc1cccc(c1)N[C@H](C)CO f1cab0af13a20dc242dcaeef31d69d4d [0,1,0,0,0,1|1,0,1]=4 281 B13R1.81 COc1cccc(c1)OC(C)C=O c77278bf559a7ab0d35c9015fa516a09 [0,1,0,0,0,1|1,0,1]=4 282 B13R1.81 COc1cccc(c1)O[C@H](C)C=O e33dcae5f24ae2b2f651a7846aa0c44a [0,1,0,0,0,1|1,0,1]=4 283 B13R1.81 COc1cccc(n1)NC(=O)C=O 9cd955ef2f6714367ac8670fb853c8ce [0,1,0,0,0,1|1,0,1]=4 284 B13R1.81 COc1cccc(n1)NC(=O)CS 8736d18041a967f36eb315e3dbe16aea [0,1,0,0,0,1|1,1,0]=4 285 B13R1.81 COc1ccnc(c1)NC(=O)C=O 3e988bf00dc023bcbe014fb7137ba2ea [0,1,0,0,0,1|1,0,1]=4 286 B13R1.81 COc1cncc(c1)NC(=O)C=O c96e947254da1d376fb9dc70634dff75 [0,1,0,0,0,1|1,0,1]=4 287 B13R1.81 COc1cncc(n1)NC(=O)CO e6ff3c99d4a0fee3ad2fcf9cee2d0699 [0,1,0,0,0,1|2,0,0]=4 288 B13R1.81 CSc1cc(ccn1)NC(=O)CO 7af39882a85ba201b3af461558f3ea07 [0,1,0,0,0,1|1,1,0]=4 289 B13R1.81 CSc1cccc(c1)NC(=O)C=O 166fc572526d46f63b1eb405df8240d8 [0,1,0,0,0,1|0,1,1]=4 290 B13R1.81 O=C(CO)Nc1cccc(c1)CBr ff3648e7c35ec951cd23d8faaeadd70c [0,1,0,0,0,1|2,0,0]=4 291 B13R1.81 O=C(CO)Nc1cccc(c1)CF cb87f70a284a210b6e9da61f11c47820 [0,1,0,0,0,1|2,0,0]=4 292 B13R1.81 O=C(CO)Nc1cccc(c1)CO 7d710ad8223e86d7f285bd62317f8809 [0,1,0,0,0,1|2,0,0]=4 293 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 47bbe7da1577f21ab122545d52487a41 [0,1,0,0,0,1|2,0,0]=4 294 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 4aca4c5d6678af6ccdcb479a6a66d353 [0,1,0,0,0,1|1,0,0]=3 295 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl a06d1e8a21971758681a301e2fafd2ec [0,1,0,0,0,1|1,0,0]=3 296 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 59b4e12fdcf540cb89fef8b87aabdf3c [0,1,0,0,0,1|1,0,0]=3 297 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 9c3d5caa037709b64dbfddf962b6eaf2 [0,1,0,0,0,1|1,0,0]=3 298 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 5ab0a194afe22cfa1c776b78c3a1ed1e [0,1,0,0,0,1|1,0,0]=3 299 B13R1.97 COc1ccc(c(c1)NC(=O)C)S 28f20f38e376ed6bd224a674bc8310f1 [0,1,0,0,0,1|1,0,0]=3 300 B13R1.97 COc1ccc(c(n1)NC(=O)C)Cl 69931bc0101bc0bbaba00a9f59dd87c9 [0,1,0,0,0,1|2,0,0]=4 301 B13R1.97 COc1ccc(c(n1)NC(=O)C)F 912636aec7aba59a36e7a63a20ac3ec7 [0,1,0,0,0,1|2,0,0]=4 302 B13R1.97 COc1ccc(c(n1)NC(=O)C)O 2d449aacc42f69bae7abdfeada6729f2 [0,1,0,0,0,1|2,0,0]=4 303 B13R1.373 CC(=O)Cc1cccc(c1)NCF 5e51e1ad9fef956f3073e21c543bd763 [0,1,0,0,0,1|2,0,0]=4 304 B13R1.373 CC(=O)Cc1cccc(c1)NCO 95f51a157577bd95c4afe39f89c9d488 [0,1,0,0,0,1|2,0,0]=4 305 B13R1.373 CC(=O)Nc1cc(ccn1)OCF 0c4194611972155a760026a2920d174d [0,1,0,0,0,1|2,0,0]=4 306 B13R1.373 CC(=O)Nc1cccc(c1)CCO 62633269c3a1cdab280e4ad5a68fcfbe [0,1,0,0,0,1|2,0,0]=4 307 B13R1.373 CC(=O)Nc1cccc(c1)NCF edeaa853d7e0ec82b480610a88fee546 [0,1,0,0,0,1|2,0,0]=4 308 B13R1.373 CC(=O)Nc1cccc(c1)NCO bfd594b47bf20c120bfb69b9e3766f81 [0,1,0,0,0,1|2,0,0]=4 309 B13R1.373 CC(=O)Nc1cccc(c1)OCF 6bbb8aa69ae997d71dc96cda91ff321c [0,1,0,0,0,1|1,0,0]=3 310 B13R1.373 CC(=O)Nc1cccc(n1)OCF c36ab6294c57b63302512cc0f35d0cb6 [0,1,0,0,0,1|2,0,0]=4 311 B13R1.373 CC(=O)Oc1cccc(c1)NCF 52a60431c782a6526b463ba8cfb68c04 [0,1,0,0,0,1|2,0,0]=4 312 B13R1.373 CC(=O)Oc1cccc(c1)NCO 8107e9533f8cdf60be69952e028d531c [0,1,0,0,0,1|2,0,0]=4 313 B13R1.373 CC(=O)Oc1cccc(c1)OCF 57adb91eb0e8c280eb8ba5943be8d426 [0,1,0,0,0,1|1,0,0]=3 314 B13R1.373 CCCc1cccc(c1)NC(=O)C 17240e7e5cf9d2367f0a84a5622f2291 [0,1,0,0,0,1|2,0,0]=4 315 B13R1.373 CCNc1cc(ccn1)CC(=O)O 5dc93344b450303cc86ffd4b1ae56594 [0,1,0,0,0,1|2,0,0]=4 316 B13R1.373 CCNc1cccc(c1)CC(=O)C 60f7d92a0ef981f75d6240eed71497d0 [0,1,0,0,0,1|2,0,0]=4 317 B13R1.373 CCNc1cccc(c1)CC(=O)N 611e128ecc000377993056d83b87ca06 [0,1,0,0,0,1|2,0,0]=4 318 B13R1.373 CCNc1cccc(c1)CC(=O)O 99a129d3c0dca1f6b17bb76dd73c944c [0,1,0,0,0,1|1,0,0]=3 319 B13R1.373 CCNc1cccc(c1)NC(=O)C ba652ad6f865e0a2598efbab5d2b83e8 [0,1,0,0,0,1|2,0,0]=4 320 B13R1.373 CCNc1cccc(c1)NC(=O)N 6a168bd96c228e0df7b04a8277ed1746 [0,1,0,0,0,1|2,0,0]=4 321 B13R1.373 CCNc1cccc(c1)OC(=O)C dc7aa18385f4ac5953fa4145aacf4ae4 [0,1,0,0,0,1|2,0,0]=4 322 B13R1.373 CCNc1cccc(n1)CC(=O)O a3c4517ed31475e5b116db81e102ee74 [0,1,0,0,0,1|2,0,0]=4 323 B13R1.373 CCOc1cc(ccn1)NC(=O)C 623532536c2641a6a937ef2576844e4f [0,1,0,0,0,1|2,0,0]=4 324 B13R1.373 CCOc1cccc(c1)CC(=O)N c422d510ee6a38d0f8f5e74f15d6c89f [0,1,0,0,0,1|1,0,0]=3 325 B13R1.373 CCOc1cccc(c1)CC(=O)O 57da334be1020f5571b1e23cd2f5a58b [0,1,0,0,0,1|0,0,0]=2 326 B13R1.373 CCOc1cccc(c1)NC(=O)C 73d1e7d4407d067a9fab35c732b42fbe [0,1,0,0,0,1|1,0,0]=3 327 B13R1.373 CCOc1cccc(c1)NC(=O)N 505e589894193d4a7faed5c3ca98415c [0,1,0,0,0,1|1,0,0]=3 328 B13R1.373 CCOc1cccc(c1)NC(=S)N e2d2ed1750a5aed04883e995ecdb1722 [0,1,0,0,0,1|1,1,0]=4 329 B13R1.373 CCOc1cccc(c1)OC(=O)C fbf1f2a3fb6096bdc46451e31cf4f434 [0,1,0,0,0,1|1,0,0]=3 330 B13R1.373 CCOc1cccc(n1)NC(=O)C 6cb087395bdd4bdd99732478cfcb8a74 [0,1,0,0,0,1|2,0,0]=4 331 B13R1.373 CCOc1ccnc(c1)NC(=O)C 84439659ff5fb2a82899e164e2a7a37f [0,1,0,0,0,1|2,0,0]=4 332 B13R1.373 CCOc1cncc(c1)NC(=O)C d05516d7e94f9ce029793b15e16e9bda [0,1,0,0,0,1|2,0,0]=4 333 B13R1.373 COCc1cccc(c1)NC(=O)C 596a406d0731648de077c65dec63e1f0 [0,1,0,0,0,1|1,0,0]=3 334 B13R1.373 COCc1ccnc(c1)NC(=O)C c7a31b8a640dd3f734d0b6f098e45ff6 [0,1,0,0,0,1|2,0,0]=4 335 B13R1.373 NC(=O)Cc1cccc(c1)NCF 8ed38eca5a064a915d95dd43519359e6 [0,1,0,0,0,1|2,0,0]=4 336 B13R1.373 NC(=O)Cc1cccc(c1)NCO 177582f4bbe8af4247536bd6bdba7cd4 [0,1,0,0,0,1|2,0,0]=4 337 B13R1.373 NC(=O)Cc1cccc(c1)OCF 822a7e773f82dcad97c91946616ad564 [0,1,0,0,0,1|1,0,0]=3 338 B13R1.373 NC(=O)Nc1cccc(c1)NCF 9635567fbfc40a7e7bdc5edf9ac81bb6 [0,1,0,0,0,1|2,0,0]=4 339 B13R1.373 NC(=O)Nc1cccc(c1)NCO 1a7f382faf2d8ca0f68fe39bdecc0a0f [0,1,0,0,0,1|2,0,0]=4 340 B13R1.373 NC(=O)Nc1cccc(c1)OCF afad67a4237e42e6ba2b35bec47f9014 [0,1,0,0,0,1|1,0,0]=3 341 B13R1.373 NC(=S)Nc1cccc(c1)OCF 1ef7afbbc2f8eddd9b37c58940346962 [0,1,0,0,0,1|1,1,0]=4 342 B13R1.373 O=C(O)Cc1cccc(c1)NCF 42e4da864723e1e333ba09561c1f950c [0,1,0,0,0,1|1,0,0]=3 343 B13R1.373 O=C(O)Cc1cccc(c1)NCO aa24cea9ab08926395b0ab63fc3f7cb0 [0,1,0,0,0,1|1,0,0]=3 344 B13R1.373 O=C(O)Cc1cccc(c1)OCF d2162ebed516c246e19630d404149346 [0,1,0,0,0,1|0,0,0]=2 345 B13R1.373 O=C(O)Cc1cccc(n1)NCF f77756a1b123769b269091c6ed6ba627 [0,1,0,0,0,1|2,0,0]=4 346 B13R1.373 O=C(O)Cc1cccc(n1)NCO d6c1de525014c2416d3c5d39661140a8 [0,1,0,0,0,1|2,0,0]=4 347 B13R1.373 O=C(O)Cc1ccnc(c1)NCF ec9675a2901f14698ffef6a24667d38c [0,1,0,0,0,1|2,0,0]=4 348 B13R1.373 O=C(O)Cc1ccnc(c1)NCO e52aa89e518e8d3d9c5c0157802e8d76 [0,1,0,0,0,1|2,0,0]=4 349 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C 2d43cd34d9340fc010a0def55a75c3f1 [0,1,0,0,0,1|2,0,0]=4 350 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C bf2565f0e6baa9db49017565cf6d7ea9 [0,1,0,0,0,1|2,0,0]=4 351 B13R1.587 CC(=O)Nc1cccc(c1)C(C)O 9b68da1e1970baa66497b0191a4a26fb [0,1,0,0,0,1|2,0,0]=4 352 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C a491b75367977a1d17483b52e28d52bd [0,1,0,0,0,1|2,0,0]=4 353 B13R1.587 CC(=O)Nc1cccc(c1)[C@@H](C)O 9660920d4c51c9ca9ee3563ca4a5e3ef [0,1,0,0,0,1|2,0,0]=4 354 B13R1.641 COc1cccc(c1Br)NC(=O)C 846cacfab15f56b0889b013be7301d51 [0,1,0,0,0,1|1,0,0]=3 355 B13R1.641 COc1cccc(c1C)NC(=O)C 59b3355fd148b64421ad07823ca92ad8 [0,1,0,0,0,1|1,0,0]=3 356 B13R1.641 COc1cccc(c1Cl)NC(=O)C c58c8cb5b71cab971afb047be33fa788 [0,1,0,0,0,1|1,0,0]=3 357 B13R1.641 COc1cccc(c1F)NC(=O)C 60131f12428bf3bee20d61d8e62d14c6 [0,1,0,0,0,1|1,0,0]=3 358 B13R1.641 COc1cccc(c1I)NC(=O)C 0febc0610490856ab1f5b94fe838d1bc [0,1,0,0,0,1|1,0,0]=3 359 B13R1.641 COc1cccc(c1O)NC(=O)C 473f3edd74ee48a743b72a39bb4d1f2a [0,1,0,0,0,1|1,0,0]=3 360 B13R1.641 COc1ccnc(c1Cl)NC(=O)C cac7991ce7d55b73ffbd8260dc228dd8 [0,1,0,0,0,1|2,0,0]=4 361 B13R1.641 COc1ccnc(c1I)NC(=O)C 47300c74dbde2586bf98bb746858c339 [0,1,0,0,0,1|2,0,0]=4 362 B13R1.641 COc1nccc(c1C)NC(=O)C 8c91bbca585847e555c77216212d5fc5 [0,1,0,0,0,1|2,0,0]=4 363 B13R1.641 COc1nccc(c1F)NC(=O)C ff86a72e582534f05e2ebf7bc4d16ef2 [0,1,0,0,0,1|2,0,0]=4 364 B13R1.642 CCc1cccc(c1)N(C)C(=O)C 8138499e60decd776749e28839ad6956 [0,1,0,0,0,1|2,0,0]=4 365 B13R1.642 COc1cc(ccn1)N(C)C(=O)C 9c487fd2db2f1ae0b6133a98643db342 [0,1,0,0,0,1|2,0,0]=4 366 B13R1.642 COc1cccc(c1)N(C)C(=O)C c82b112a0ad8a85368200481ae545061 [0,1,0,0,0,1|1,0,0]=3 367 B13R1.642 COc1cccc(n1)N(C)C(=O)C cb1dbe058b0634d2083a1e888e85d9b7 [0,1,0,0,0,1|2,0,0]=4 368 B13R1.642 COc1ccnc(c1)N(C)C(=O)C c688dd70edb4798eb50592b4c84f87b1 [0,1,0,0,0,1|2,0,0]=4 369 B13R1.642 CSc1cccc(c1)N(C)C(=O)C a86650c71716ffc26db79c7e4a454081 [0,1,0,0,0,1|1,1,0]=4 370 B13R1.31 CC(=O)c1cc(cc(c1)NCF)Br 12200d37e07efdaf778c93303d7c4d69 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.31 CC(=O)c1cc(cc(c1)NCO)Br 2a30d2d90461493275de0a8fdda4ff38 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.31 CC(=O)c1cc(cc(c1)OCF)Br 37fa16182604f9c44a792eb650277396 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.31 CC(=O)c1cc(cc(c1)OCF)C d10adf3b0d7e2084fbf64ed098e04606 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.31 CC(=O)c1cc(cc(c1)OCF)F b7cecd9eefd21bf27facfa2be80209e9 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.31 CCNc1cc(cc(c1)C(=O)C)Br a0aa91bac50a64c070cdf73f9de78949 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.31 CCNc1cc(cc(c1)C(=O)N)Br 533ceeca9f7435f1c331e9dc72205b73 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.31 CCNc1cc(cc(c1)C(=O)N)C 0f3949e7f7fdf9d6126fceb07671c09b [0,2,0,0,0,0|2,0,0]=4 378 B13R1.31 CCNc1cc(cc(c1)C(=O)N)F 14a56934df4126a7a97a62273275f651 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.31 CCNc1cc(cc(c1)C(=O)O)Br f5f8c950c6f160cff1d99e85fd0f1e06 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.31 CCNc1cc(cc(c1)C(=O)O)C 871d65cb9ab10b38478427573d3bbc57 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.31 CCNc1cc(cc(c1)C(=O)O)Cl 2e0e4518c42aaa2cbf2ec86c9f959558 [0,2,0,0,0,0|1,0,0]=3 382 B13R1.31 CCNc1cc(cc(c1)C(=O)O)F 00cceda26316ff4b93b56b0dabbdc2a3 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.31 CCNc1cc(cc(n1)Br)C(=O)O d0f3cbf4bc6ed1c9af1a84308b775d2b [0,2,0,0,0,0|2,0,0]=4 384 B13R1.31 CCNc1cc(cc(n1)C(=O)O)Br cf9927db73c4e0996714bd2d782483d0 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.31 CCNc1cc(cc(n1)C(=O)O)C 038401f7ce607808a8e001190b4fe48d [0,2,0,0,0,0|2,0,0]=4 386 B13R1.31 CCNc1cc(cc(n1)C)C(=O)O 53e5897a88121b5554b687fa32595ad7 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.31 CCNc1cc(cc(n1)Cl)C(=O)O 8d8fc994fbf87f7b83f228e7a850a6bb [0,2,0,0,0,0|2,0,0]=4 388 B13R1.31 CCNc1cc(nc(c1)C(=O)O)C 4040e3e08c9f7b946b72ad40d261e378 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.31 CCNc1cc(nc(c1)C(=O)O)Cl 3c947a476983c77434eff6179054f0ed [0,2,0,0,0,0|2,0,0]=4 390 B13R1.31 CCOc1cc(cc(c1)C(=O)C)Br 151c82ce083abcc82753c71193773f5a [0,2,0,0,0,0|1,0,0]=3 391 B13R1.31 CCOc1cc(cc(c1)C(=O)C)C af59e76f53258c678756db2a1921ba42 [0,2,0,0,0,0|1,0,0]=3 392 B13R1.31 CCOc1cc(cc(c1)C(=O)C)F c1e9d906b5973d2bdc40936570755d14 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.31 CCOc1cc(cc(c1)C(=O)N)Br c8c376ffcc16d8a44ac8c8ed84b0bf03 [0,2,0,0,0,0|1,0,0]=3 394 B13R1.31 CCOc1cc(cc(c1)C(=O)N)F 1aaa4e125e6850e296a7129479836205 [0,2,0,0,0,0|1,0,0]=3 395 B13R1.31 CCOc1cc(cc(c1)C(=O)O)Br 0639b615bf09b8040e0c0f0b4171ce2a [0,2,0,0,0,0|0,0,0]=2 396 B13R1.31 CCOc1cc(cc(c1)C(=O)O)C 056cd98ff4e7cdb3f32a350b5bb9fd7e [0,2,0,0,0,0|0,0,0]=2 397 B13R1.31 CCOc1cc(cc(c1)C(=O)O)Cl 1fd603534b70aa9449c9914b918c61e2 [0,2,0,0,0,0|0,0,0]=2 398 B13R1.31 CCOc1cc(cc(c1)C(=O)O)F a495193941b7a0d58abb96e0b7173f1f [0,2,0,0,0,0|0,0,0]=2 399 B13R1.31 CCOc1cc(cc(c1)C(=O)O)I 8290efab0ed2b65077cbbedea9c837d6 [0,2,0,0,0,0|0,0,0]=2 400 B13R1.31 CCOc1cc(cc(c1)[N+](=O)[O-])Cl be5cd1ec3a26ebd93d9e3d72d1154782 [0,2,0,0,0,0|1,0,1]=4 401 B13R1.31 CCOc1cc(cc(n1)C(=O)O)Cl 43428315b5c4e8fa4bdf4480cf04e964 [0,2,0,0,0,0|1,0,0]=3 402 B13R1.31 CCOc1cc(cc(n1)C)C(=O)O b106e0b9c41273a8ab540a91c417a458 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.31 CCOc1cc(cc(n1)Cl)C(=O)O d44b47c332830745ae93890289ee6c15 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.31 CCOc1cc(nc(c1)C(=O)O)Br fa47a4dd3b603b6345fd9e5cc430e76c [0,2,0,0,0,0|1,0,0]=3 405 B13R1.31 CCOc1cc(nc(c1)C(=O)O)C 9f756648e7fb90d2b9d68e883b2d00b8 [0,2,0,0,0,0|1,0,0]=3 406 B13R1.31 CCOc1cc(nc(n1)C)C(=O)O a496469a09d12aa4b093c4b18dbf3901 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.31 Cc1cc(cc(c1)C(=O)N)NCF 1597076f93e938ae8a4f929b42785770 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.31 Cc1cc(cc(c1)C(=O)N)NCO 0d0047d6ac2d38d3276013d4841428da [0,2,0,0,0,0|2,0,0]=4 409 B13R1.31 Cc1cc(cc(c1)C(=O)O)NCF c6e57b94974e3f74c5fc46c5f8fe8682 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.31 Cc1cc(cc(c1)C(=O)O)NCO 64788c1d5a5853c3e49b74d6dbfe9b71 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.31 Cc1cc(cc(c1)C(=O)O)OCF 32b35289af95d19611745b9e9b6f16b3 [0,2,0,0,0,0|0,0,0]=2 412 B13R1.31 Cc1cc(cc(c1)[N+](=O)[O-])OCF 7cb9fde0bf926f7a71a11554f2329d4a [0,2,0,0,0,0|1,0,1]=4 413 B13R1.31 Cc1cc(cc(n1)C(=O)O)NCF 0008d6f15ad252309d9cd4b79c3dcd8b [0,2,0,0,0,0|2,0,0]=4 414 B13R1.31 Cc1cc(cc(n1)C(=O)O)NCO 8cf2c42edaff271fc008224eb0cbc86d [0,2,0,0,0,0|2,0,0]=4 415 B13R1.31 Cc1cc(cc(n1)C(=O)O)OCF 305d6000b78b348e751ae16cd5063e9f [0,2,0,0,0,0|1,0,0]=3 416 B13R1.31 Cc1cc(cc(n1)NCF)C(=O)O 31744a0b33f1af8301958b37e81b81ff [0,2,0,0,0,0|2,0,0]=4 417 B13R1.31 Cc1cc(cc(n1)NCO)C(=O)O 037e082be53ecf9b8b677a4a677365c4 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.31 Cc1cc(cc(n1)OCF)C(=O)O eadeb609b059d8ee62aa6ab2fde6e349 [0,2,0,0,0,0|1,0,0]=3 419 B13R1.31 Cc1cc(nc(c1)C(=O)O)NCF 1d68099c2ef39afa1ddc7db5f689fea0 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.31 Cc1cc(nc(c1)C(=O)O)NCO 74563abfdfa08dfe06056c5c2b020d32 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.31 Cc1nc(cc(n1)C(=O)O)OCF d2ff1cb84190487a4ff551c027eb92a1 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.31 NC(=O)c1cc(cc(c1)NCF)Br 7dbf73b3ae49c00108a210e6cc5f54a9 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.31 NC(=O)c1cc(cc(c1)NCF)F 19a81af76ecdb20c78e2dfb06ed78eed [0,2,0,0,0,0|2,0,0]=4 424 B13R1.31 NC(=O)c1cc(cc(c1)NCO)Br 98ebb60a90ceff6777370baf19927638 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.31 NC(=O)c1cc(cc(c1)NCO)F 2a3892bf1a4fe4a89912727636400c93 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.31 NC(=O)c1cc(cc(c1)OCF)Br 44f1b5e7a1dda5047d423a427b58bd17 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.31 NC(=O)c1cc(cc(c1)OCF)F 8c38057b734babc0b4ca730a0a403ce0 [0,2,0,0,0,0|1,0,0]=3 428 B13R1.31 O=C(O)c1cc(cc(c1)NCF)Br 136ab53a73f81499f97c1120e75833d3 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.31 O=C(O)c1cc(cc(c1)NCF)Cl 626e48ef22bf471246b0c383d01d3241 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.31 O=C(O)c1cc(cc(c1)NCF)F e3b34cb971c42dc80277f659be8a8291 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.31 O=C(O)c1cc(cc(c1)NCO)Br ec8fb061b70f9e771161706ebd4cb91e [0,2,0,0,0,0|1,0,0]=3 432 B13R1.31 O=C(O)c1cc(cc(c1)NCO)Cl 73878b3a35c8d9cff52dc676893d39b3 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.31 O=C(O)c1cc(cc(c1)NCO)F 6d6f07582c0a0b76a53d280a435cd7e2 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.31 O=C(O)c1cc(cc(c1)OCF)Br 27a0197efe901efa8ade22df62be6d12 [0,2,0,0,0,0|0,0,0]=2 435 B13R1.31 O=C(O)c1cc(cc(c1)OCF)Cl 1dd35ccfb375a8a05a99da12e790a82a [0,2,0,0,0,0|0,0,0]=2 436 B13R1.31 O=C(O)c1cc(cc(c1)OCF)F 6f5bec61877c0229781ea9b96ab0040c [0,2,0,0,0,0|0,0,0]=2 437 B13R1.31 O=C(O)c1cc(cc(c1)OCF)I f95ac3b0b2af6308e8c005a913284a95 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.31 O=C(O)c1cc(cc(n1)Br)OCF 7631343185beec2b4a2ecf2a19fcf2be [0,2,0,0,0,0|1,0,0]=3 439 B13R1.31 O=C(O)c1cc(cc(n1)Cl)NCF 472c78539d94ea599cea221a5a8b747d [0,2,0,0,0,0|2,0,0]=4 440 B13R1.31 O=C(O)c1cc(cc(n1)Cl)NCO a05bc0c83e763e213ae3c6d172723bc8 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.31 O=C(O)c1cc(cc(n1)NCF)Br 59dd7850dd97e3ec765c9656fd945dcb [0,2,0,0,0,0|2,0,0]=4 442 B13R1.31 O=C(O)c1cc(cc(n1)NCO)Br fa3c7b5feee2b9b2cfd53cc89d3410b5 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.31 O=C(O)c1cc(cc(n1)OCF)Cl 7f16b7bef4ecdcd2104e0930b34fe15b [0,2,0,0,0,0|1,0,0]=3 444 B13R1.31 O=C(O)c1cc(nc(c1)NCF)Br 3687d065e50b0ec92d4d55d7368268b7 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.31 O=C(O)c1cc(nc(c1)NCF)Cl d92cdd6373b57166d0a83d1e3004b1be [0,2,0,0,0,0|2,0,0]=4 446 B13R1.31 O=C(O)c1cc(nc(c1)NCO)Br 93a3060168df0b10c614b100b90d14f2 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.31 O=C(O)c1cc(nc(c1)NCO)Cl 393aec8aefaae44d0318d0c414d7960b [0,2,0,0,0,0|2,0,0]=4 448 B13R1.31 O=C(O)c1cc(nc(c1)OCF)Cl 4947800e4d2d54e1d09dce2ef0630042 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.31 O=[N+]([O-])c1cc(cc(c1)OCF)Cl 27787f16e683a633a12d6f9002db73bc [0,2,0,0,0,0|1,0,1]=4 450 B13R1.314 COc1cc(cc(c1)N(C)C=O)Br 001d35bfb15950dfcd09f8635d7b5501 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.314 COc1cc(cc(c1)N(C)CO)Br 4b6dd640d979602cec8522a254008a35 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.49 COc1cc(ccc1Br)N(C)C=O 65f0f1af9cd9e4fb157f80c4358d8d58 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.49 COc1cc(ccc1F)N(C)C=O 9819fea5316fe7377fe2f9678560f752 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.49 COc1cc(ccc1F)N(C)CO a12d0f368cda8aac79f3e7c15d95ea97 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.354 CC(=O)c1ccc(c(c1)NCF)Br 3ca1bf0fa68a13641a473997e3289005 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.354 CC(=O)c1ccc(c(c1)NCF)C 1da61551826b32eee55d3123113364fa [0,2,0,0,0,0|2,0,0]=4 457 B13R1.354 CC(=O)c1ccc(c(c1)NCF)Cl 95c6b4b339ab73f8b1c4e640534651ab [0,2,0,0,0,0|2,0,0]=4 458 B13R1.354 CC(=O)c1ccc(c(c1)NCF)F 4ecf3e26591afc36b077d4a7f94b4fc5 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.354 CC(=O)c1ccc(c(c1)NCO)Br 3fffbd142d25b9a8a0cbf5dc85f23ca3 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.354 CC(=O)c1ccc(c(c1)NCO)C 21ea70101475f4f2785ed12650eb9f5e [0,2,0,0,0,0|2,0,0]=4 461 B13R1.354 CC(=O)c1ccc(c(c1)NCO)Cl 522aae7f28b686a52dc25305bbf70ae1 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.354 CC(=O)c1ccc(c(c1)NCO)F c50c85ab366d80ac88b0d7a2c9765bc6 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.354 CC(=O)c1ccc(c(c1)OCF)Br 13111d6e904e3e127a627f5c54091f4d [0,2,0,0,0,0|1,0,0]=3 464 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 5e726cc36c00ac7043b74c0485ea2eaf [0,2,0,0,0,0|1,0,0]=3 465 B13R1.354 CC(=O)c1ccc(c(c1)OCF)Cl 4ad1d2de5c82635c3414962a5b41ee25 [0,2,0,0,0,0|1,0,0]=3 466 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 4cf99002af8c2f43e719a7a941e56afc [0,2,0,0,0,0|1,0,0]=3 467 B13R1.354 CCNc1cc(ccc1Br)C(=O)C 78cbf4e663469e11858756eaeb59b4ca [0,2,0,0,0,0|2,0,0]=4 468 B13R1.354 CCNc1cc(ccc1Br)C(=O)N c6e2359e67e4f760aa302c12dd6b39c7 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.354 CCNc1cc(ccc1Br)C(=O)O dd196df2af52d54aab205998187b8642 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.354 CCNc1cc(ccc1C)C(=O)C 64620bb37dff806131081e2fe70a48d5 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.354 CCNc1cc(ccc1C)C(=O)N 56bfb71c4d30ec87b53d6552c441409a [0,2,0,0,0,0|2,0,0]=4 472 B13R1.354 CCNc1cc(ccc1C)C(=O)O f65aaa42b0dbb1a129fdb92e6f0e44ed [0,2,0,0,0,0|1,0,0]=3 473 B13R1.354 CCNc1cc(ccc1Cl)C(=O)C bcd41e02e26ced3f8bebc73a20f4b0b5 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.354 CCNc1cc(ccc1Cl)C(=O)N 19f67c1e3f4944e5cd7c438995d39aec [0,2,0,0,0,0|2,0,0]=4 475 B13R1.354 CCNc1cc(ccc1Cl)C(=O)O 37efed646fe958dbabe258c91d6ed958 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.354 CCNc1cc(ccc1F)C(=O)C 15dd9c21ce17f1e3e5736385916dd0aa [0,2,0,0,0,0|2,0,0]=4 477 B13R1.354 CCNc1cc(ccc1F)C(=O)N 8af7f19bea4684b6ad637f475ae8c5b6 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.354 CCNc1cc(ccc1F)C(=O)O 49ea0f8453a0e9ddc97d38bb76264812 [0,2,0,0,0,0|1,0,0]=3 479 B13R1.354 CCNc1cc(ccc1I)C(=O)O f791c45330e72ca95366fbdd971f92d2 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.354 CCNc1cc(cnc1C)C(=O)O ecf68352542af0270a6066faf54f0c4c [0,2,0,0,0,0|2,0,0]=4 481 B13R1.354 CCNc1cc(cnc1Cl)C(=O)O 19386d7a34610a33da5045c265440be4 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.354 CCNc1cc(ncc1Br)C(=O)O 8492f9394e9e29cca311dcbb4a794070 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.354 CCNc1cc(ncc1C)C(=O)O 4f1623c78e8e95c842fecb7a59a5ed80 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.354 CCNc1nc(ccc1Cl)C(=O)O 72b2c4aca7c48bcdc19b2d6179d8ca49 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.354 CCOc1cc(c[nH]c1=O)C(=O)O 3616f6310312913f609f2247f5a04cd2 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.354 CCOc1cc(ccc1Br)C(=O)C 294f6b81ed3f58240783e2742e4cb6fe [0,2,0,0,0,0|1,0,0]=3 487 B13R1.354 CCOc1cc(ccc1Br)C(=O)N c98989508098dfd56eb2f7a310a04abe [0,2,0,0,0,0|1,0,0]=3 488 B13R1.354 CCOc1cc(ccc1Br)C(=O)O 30fab4c41344a5de8be8f241d5dedef4 [0,2,0,0,0,0|0,0,0]=2 489 B13R1.354 CCOc1cc(ccc1C)C(=O)C 4552e01654fe211cea50d6a6889ecd8a [0,2,0,0,0,0|1,0,0]=3 490 B13R1.354 CCOc1cc(ccc1C)C(=O)O d1223ad0c7b1d173682ba14c15140c23 [0,2,0,0,0,0|0,0,0]=2 491 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] dbc786adb34727908e31f9277bfd49ed [0,2,0,0,0,0|1,0,1]=4 492 B13R1.354 CCOc1cc(ccc1Cl)C(=O)C ae251dc47fb53071891a2d1b57b5f3bb [0,2,0,0,0,0|1,0,0]=3 493 B13R1.354 CCOc1cc(ccc1Cl)C(=O)N a4bdf82bdd4f1935ef266d061222afdd [0,2,0,0,0,0|1,0,0]=3 494 B13R1.354 CCOc1cc(ccc1Cl)C(=O)O af342a18b31573d5139bd36e1dd67670 [0,2,0,0,0,0|0,0,0]=2 495 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 31e0fc36ae9fa3414625b982c199e526 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.354 CCOc1cc(ccc1F)C(=O)C 8accb639163b6056f0748f4d75bba8f1 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.354 CCOc1cc(ccc1F)C(=O)N bc982b9a3b3ee4a99a1423107073fb3b [0,2,0,0,0,0|1,0,0]=3 498 B13R1.354 CCOc1cc(ccc1F)C(=O)O 3c3c949456644ed3ce717ef687e61546 [0,2,0,0,0,0|0,0,0]=2 499 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 870bd6ae9acb87d352f4105e142e680c [0,2,0,0,0,0|1,0,1]=4 500 B13R1.354 CCOc1cc(ccc1I)C(=O)N 75e390c3dc30ce9d980555ffd709d912 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.354 CCOc1cc(ccc1I)C(=O)O 8df38bf070975b66dcb473d42206d6c6 [0,2,0,0,0,0|0,0,0]=2 502 B13R1.354 CCOc1cc(cnc1Cl)C(=O)O ea5d0487ff1202ce5de1b3dfa9b7bb8d [0,2,0,0,0,0|1,0,0]=3 503 B13R1.354 CCOc1cc(cnc1I)C(=O)O f4cbe6a6888b8b9ae9765a6907ed1451 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.354 CCOc1nc(ccc1Br)C(=O)O c2d5a7dea24605c5fc112f3ad1206276 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.354 Cc1ccc(cc1NCF)C(=O)N e34b09cbb591c902ccf444382a5578ef [0,2,0,0,0,0|2,0,0]=4 506 B13R1.354 Cc1ccc(cc1NCF)C(=O)O 68f68290441b9accd1a8e17011f9d0f1 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.354 Cc1ccc(cc1NCO)C(=O)N 2e7bb12cb2f46005e402b181eb993f5f [0,2,0,0,0,0|2,0,0]=4 508 B13R1.354 Cc1ccc(cc1OCF)C(=O)O f322d0893c2772646c35c3a1b20e0ba5 [0,2,0,0,0,0|0,0,0]=2 509 B13R1.354 Cc1cnc(cc1NCF)C(=O)O ddfaa3cb7b8a9608987f7e40d95ae8a2 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.354 Cc1cnc(cc1NCO)C(=O)O 1820ecd7c27df61e96b9fe81412b1aac [0,2,0,0,0,0|2,0,0]=4 511 B13R1.354 Cc1ncc(cc1NCF)C(=O)O 1bfc1fb3711c2842e704c042824b9a72 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.354 Cc1ncc(cc1NCO)C(=O)O 1c3a4ae49e786772a8edbdd14acc02a2 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.354 NC(=O)c1ccc(c(c1)NCF)Cl a6aae6be3c08d9b128f17b8b28e03f00 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.354 NC(=O)c1ccc(c(c1)NCF)F 937211148c3b33557f40ab50cb1139f4 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.354 NC(=O)c1ccc(c(c1)NCO)Cl d28efc7cbc04224ea72d0356a718c250 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.354 NC(=O)c1ccc(c(c1)NCO)F 954cca11f17f4eea031670cf0a63a0d0 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br a0bd95f94550540da3585e78a16a61fd [0,2,0,0,0,0|1,0,0]=3 518 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Cl cdc1c0af2f959158f6a5c2d8258abf33 [0,2,0,0,0,0|1,0,0]=3 519 B13R1.354 NC(=O)c1ccc(c(c1)OCF)F e3d61fda84f941ffb885d8fbdc83d6ca [0,2,0,0,0,0|1,0,0]=3 520 B13R1.354 NC(=O)c1ccc(c(c1)OCF)I a2aa41371e6dad31f0c8dc53903ce454 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.354 O=C(O)c1c[nH]c(=O)c(c1)OCF 0e0a8ecd9fc0373266d00937b3172d1f [0,2,0,0,0,0|1,0,0]=3 522 B13R1.354 O=C(O)c1cc(c(cn1)Br)NCF 325b5507d602386f2a38c092394231a5 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.354 O=C(O)c1cc(c(cn1)Br)NCO 0cc03b98f8814bf967a3f877454fd0cd [0,2,0,0,0,0|2,0,0]=4 524 B13R1.354 O=C(O)c1ccc(c(c1)NCF)Br 1e9dbccaff499a49c4cc7faa977aada7 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.354 O=C(O)c1ccc(c(c1)NCF)Cl 6f23e31538bfbc2fbb61cdc35cbaaf1c [0,2,0,0,0,0|1,0,0]=3 526 B13R1.354 O=C(O)c1ccc(c(c1)NCF)F 1926046802f5beb6a2bbbd7570cec274 [0,2,0,0,0,0|1,0,0]=3 527 B13R1.354 O=C(O)c1ccc(c(c1)NCF)I 3767279a94d4a678f69959a8bfdef7a9 [0,2,0,0,0,0|1,0,0]=3 528 B13R1.354 O=C(O)c1ccc(c(c1)NCO)F 2bb34b92e491dc66fde327c7bce81814 [0,2,0,0,0,0|1,0,0]=3 529 B13R1.354 O=C(O)c1ccc(c(c1)NCO)I 536d0919c3af6ae06428d66bc848ef18 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.354 O=C(O)c1ccc(c(c1)OCF)Br c81df01c0a6145073b048d87108422b3 [0,2,0,0,0,0|0,0,0]=2 531 B13R1.354 O=C(O)c1ccc(c(c1)OCF)Cl ef17a485bb4905d69c49abbff21cdf77 [0,2,0,0,0,0|0,0,0]=2 532 B13R1.354 O=C(O)c1ccc(c(c1)OCF)F 86ad1a38847b17254b8fa1bc562845ad [0,2,0,0,0,0|0,0,0]=2 533 B13R1.354 O=C(O)c1ccc(c(c1)OCF)I 5dfd03b4732d4ee13c9fb9037d1a55a7 [0,2,0,0,0,0|0,0,0]=2 534 B13R1.354 O=C(O)c1ccc(c(n1)NCF)Cl 87bff913998a8e3938af6fdca0872bf2 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.354 O=C(O)c1ccc(c(n1)NCO)Cl 3ef25018f7d697681a1491c915b843cf [0,2,0,0,0,0|2,0,0]=4 536 B13R1.354 O=C(O)c1ccc(c(n1)OCF)Br e6233d1b00c372c6babd85bd88ecbc0d [0,2,0,0,0,0|1,0,0]=3 537 B13R1.354 O=C(O)c1cnc(c(c1)NCF)Cl 6b0a4e995abb7ed05bc68ed2a78ec537 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.354 O=C(O)c1cnc(c(c1)NCO)Cl 74a2f80160e714ce36819be79528bd3a [0,2,0,0,0,0|2,0,0]=4 539 B13R1.354 O=C(O)c1cnc(c(c1)OCF)Cl 198cad2679ae28b9c6245f1b552fa6d0 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.354 O=C(O)c1cnc(c(c1)OCF)I eae93456114b4f8946b9c48044759273 [0,2,0,0,0,0|1,0,0]=3 541 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl f25bd6f7763fdca7b13ec7cd4058f54c [0,2,0,0,0,0|1,0,1]=4 542 B13R1.543 CC(=O)c1cccc(c1)N(C)C=O 4e2c1ff3a69cf41f1f80d91a5977f659 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.543 CC(=O)c1cccc(c1)N(C)CF 789e708b90f850f729782f4fd401d57f [0,2,0,0,0,0|2,0,0]=4 544 B13R1.543 CC(=O)c1cccc(c1)N(C)CO 343c4c14a63ffebe7b57f728ea5cadd7 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.543 CCN(C)c1cc(ccn1)C(=O)O a9b86091c1d59846573ec59e7f3ec9a1 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.543 CCN(C)c1cccc(c1)C(=O)C a9f17dc9533e2579c1aa523b43042757 [0,2,0,0,0,0|2,0,0]=4 547 B13R1.543 CCN(C)c1cccc(c1)C(=O)O a4e679e644853ee4d21650fa89f553e3 [0,2,0,0,0,0|1,0,0]=3 548 B13R1.543 CCN(C)c1cccc(n1)C(=O)O a4184b4782766cb39e00545b4d0ce95c [0,2,0,0,0,0|2,0,0]=4 549 B13R1.543 CCN(C)c1ccnc(c1)C(=O)O 8b6fca120f8b1bee35192663b7f91509 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.543 CCN(C)c1cncc(c1)C(=O)O c3a152b3ef8e61d4fa6120517d0ee36a [0,2,0,0,0,0|2,0,0]=4 551 B13R1.543 CN(CF)c1cc(ccn1)C(=O)O 9dff3c6af29f3e527148cc4e2f44032e [0,2,0,0,0,0|2,0,0]=4 552 B13R1.543 CN(CF)c1cccc(c1)C(=O)O c785befcac9a3d0e367f9bc06ddc7e7a [0,2,0,0,0,0|1,0,0]=3 553 B13R1.543 CN(CF)c1cccc(n1)C(=O)O e9008d342a78b0f713fe4fb24c34f1e4 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.543 CN(CF)c1ccnc(c1)C(=O)O 8c45bdaa150b86fe3ec3b98df0176779 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.543 CN(CF)c1cncc(c1)C(=O)O 581031145196e9b96050bcd48f91ed74 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.543 CN(CO)c1cc(ccn1)C(=O)O b502589295ff6d4f6a4bd0cec2bb4066 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.543 CN(CO)c1cccc(c1)C(=O)O 2c04d5cbe9ffbe1a4a1599eaeea8a76f [0,2,0,0,0,0|1,0,0]=3 558 B13R1.543 CN(CO)c1cccc(n1)C(=O)O d1508b282bde4035abf335ce37871e13 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.543 CN(CO)c1ccnc(c1)C(=O)O 6e9f2836992c1676780e5d7b3c09c1c0 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.543 CN(CO)c1cncc(c1)C(=O)O 7f8170198b78d975f63df25d292fb620 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.374 CCC(=O)c1cccc(c1)NCF c49a295f10a526cf59227793534c4e4f [0,2,0,0,0,0|2,0,0]=4 562 B13R1.374 CCC(=O)c1cccc(c1)NCO 6e22151360eb865615bfff79880052bb [0,2,0,0,0,0|2,0,0]=4 563 B13R1.374 CCC(=O)c1cccc(c1)OCF 8ad90e8b4ab442c366f264d24c4fd0ef [0,2,0,0,0,0|1,0,0]=3 564 B13R1.374 CCNc1cc(ccn1)C(=O)OC 2ba41f65b0c402eb88f51962b9bdcd35 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.374 CCNc1cccc(c1)C(=O)CBr d7c1799d5629d93152bdc047438dd8ef [0,2,0,0,0,0|2,0,0]=4 566 B13R1.374 CCNc1cccc(c1)C(=O)CC 201d0cbc317b4940223f5cd031d8a442 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.374 CCNc1cccc(c1)C(=O)NC 98f97a8565e8a3c46fcbdeef2166f747 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.374 CCNc1cccc(c1)C(=O)OC 6dcac4f2fe5111e90824c28c84bcdfa2 [0,2,0,0,0,0|1,0,0]=3 569 B13R1.374 CCNc1cccc(n1)C(=O)OC 77ccffc7836b7205b7bf34380edd502c [0,2,0,0,0,0|2,0,0]=4 570 B13R1.374 CCNc1ccnc(c1)C(=O)OC ade3e7d4427e20168da291544b1c726d [0,2,0,0,0,0|2,0,0]=4 571 B13R1.374 CCNc1cncc(c1)C(=O)OC 34ffe2562bee0c939d448948c1f54e45 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.374 CCOc1cc(ncn1)C(=O)OC fcee7944cf71b4868a5fdf4e9f40dd6d [0,2,0,0,0,0|2,0,0]=4 573 B13R1.374 CCOc1cccc(c1)C(=O)CC e40d5420e68436cba83af3eaaf65803b [0,2,0,0,0,0|1,0,0]=3 574 B13R1.374 CCOc1cccc(c1)C(=O)NC 5fd0b32c795cc61fc0104828b94e84af [0,2,0,0,0,0|1,0,0]=3 575 B13R1.374 CCOc1cccc(c1)C(=O)OC 9a19a7e3be964b53943ee1bd7f1f2b3a [0,2,0,0,0,0|0,0,0]=2 576 B13R1.374 CCOc1cccc(n1)C(=O)OC 8effb02a4450694ac6805cc41421659d [0,2,0,0,0,0|1,0,0]=3 577 B13R1.374 CCOc1ccnc(c1)C(=O)NC 858b3cdc4be9a497fa78a7dbbd1dcd71 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.374 CCOc1ccnc(c1)C(=O)OC c6e2398b653bc901ae78cf1540f4eeb5 [0,2,0,0,0,0|1,0,0]=3 579 B13R1.374 CCOc1cncc(c1)C(=O)OC 601121f20aa5510979ef02b752df2d8a [0,2,0,0,0,0|1,0,0]=3 580 B13R1.374 CCOc1nccc(n1)C(=O)OC d8b1b68608a4d90914b606559152831a [0,2,0,0,0,0|2,0,0]=4 581 B13R1.374 CNC(=O)c1cc(ccn1)OCF 4c5b98a4aedd60c3c40cc33649e31796 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.374 CNC(=O)c1cccc(c1)NCF bd0b18468b13007bd41bcda91ea40abe [0,2,0,0,0,0|2,0,0]=4 583 B13R1.374 CNC(=O)c1cccc(c1)NCO bee3866f86ec12207e406b42707a1d18 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.374 CNC(=O)c1cccc(c1)OCF b08fad7f98713d3332e9e812b9b3c068 [0,2,0,0,0,0|1,0,0]=3 585 B13R1.374 COC(=O)c1cc(ccn1)NCF e9013ce00db0f051f9f9fb4f9027d41c [0,2,0,0,0,0|2,0,0]=4 586 B13R1.374 COC(=O)c1cc(ccn1)NCO 2c24af9bc82bce8c23040dda999e21f7 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.374 COC(=O)c1cc(ccn1)OCF f5acc45bd837c3e6204ad2f99aebb9bd [0,2,0,0,0,0|1,0,0]=3 588 B13R1.374 COC(=O)c1cc(ncn1)OCF a3b72c4918634ac48f1fde5c0f4d7f5c [0,2,0,0,0,0|2,0,0]=4 589 B13R1.374 COC(=O)c1cccc(c1)NC=O e73618be7dabfb1f075034c72b500a95 [0,2,0,0,0,0|1,0,1]=4 590 B13R1.374 COC(=O)c1cccc(c1)NCF f2b556a251b1d94eb2093be6b5bcb12b [0,2,0,0,0,0|1,0,0]=3 591 B13R1.374 COC(=O)c1cccc(c1)NCO 8a5a9e943b96a057c272974f42f4850c [0,2,0,0,0,0|1,0,0]=3 592 B13R1.374 COC(=O)c1cccc(c1)OCF 293e44061ef7a0b748310ac881e4eefb [0,2,0,0,0,0|0,0,0]=2 593 B13R1.374 COC(=O)c1cccc(n1)NCF 1526ba3a20f33a3b0349fb95e508aa0b [0,2,0,0,0,0|2,0,0]=4 594 B13R1.374 COC(=O)c1cccc(n1)NCO dd7a75076ae1707e30b0a6555b01a312 [0,2,0,0,0,0|2,0,0]=4 595 B13R1.374 COC(=O)c1cccc(n1)OCF 0eba4844bfabf0649a14eaea5e96f83c [0,2,0,0,0,0|1,0,0]=3 596 B13R1.374 COC(=O)c1ccnc(c1)NCF b863f2b81ced9eea2c4365b1c56307e2 [0,2,0,0,0,0|2,0,0]=4 597 B13R1.374 COC(=O)c1ccnc(c1)NCO 68a48d8b2e3dd9d0c928e7ea67f0be38 [0,2,0,0,0,0|2,0,0]=4 598 B13R1.374 COC(=O)c1ccnc(n1)OCF 4203dedd009b680884dcac1238e22f71 [0,2,0,0,0,0|2,0,0]=4 599 B13R1.374 COC(=O)c1cncc(c1)NCO 0c7c6337f5d90d8859f7bd04afd5b2a0 [0,2,0,0,0,0|2,0,0]=4 600 B13R1.374 COC(=O)c1cncc(c1)OCF 0b5eb307ec4af90f84a18b69e1465744 [0,2,0,0,0,0|1,0,0]=3 601 B13R1.374 O=C(CBr)c1cccc(c1)NCF 0149cf9eed67297e000a39e5f0532abc [0,2,0,0,0,0|2,0,0]=4 602 B13R1.374 O=C(CBr)c1cccc(c1)NCO 09add0ee522b204c87e0a4da67b66098 [0,2,0,0,0,0|2,0,0]=4 603 B13R1.375 CCNc1cccc(c1)S(=O)(=O)O 554b3141271696c15b75f0df84865c94 [0,2,0,0,0,0|2,0,0]=4 604 B13R1.375 CCOc1cccc(c1)S(=N)(=O)C b94d033fc716b540145d93a332454091 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.375 CCOc1cccc(c1)S(=O)(=O)C bbb5722e0943458cd06180969888828a [0,2,0,0,0,0|1,0,1]=4 606 B13R1.375 CCOc1cccc(c1)S(=O)(=O)N 9f9d37fcc4101433b58e408a292fe51c [0,2,0,0,0,0|1,0,1]=4 607 B13R1.375 CS(=N)(=O)c1cccc(c1)OCF 661ed9741c4b8c36f1989b31333f0ecf [0,2,0,0,0,0|2,0,0]=4 608 B13R1.375 CS(=O)(=O)c1cccc(c1)OCF efab56af0476365b3a139074ec7a010a [0,2,0,0,0,0|1,0,1]=4 609 B13R1.375 NS(=O)(=O)c1cccc(c1)OCF 9d4814f38d436c37784e242ee9af5fd3 [0,2,0,0,0,0|1,0,1]=4 610 B13R1.375 O=S(=O)(O)c1cccc(c1)NCF 5c59428692e2220d005077852b700483 [0,2,0,0,0,0|2,0,0]=4 611 B13R1.375 O=S(=O)(O)c1cccc(c1)NCO c3b8720c86d5f0d2fa9a6bc4d8569cd7 [0,2,0,0,0,0|2,0,0]=4 612 B13R1.377 CC(=O)c1cccc(c1Br)OCF 480b02caddbc0bbe57463ea45b70828b [0,2,0,0,0,0|1,0,0]=3 613 B13R1.377 CC(=O)c1cccc(c1C)OCF d5c1dd806e010c0bdaf3e9ad9d1bed89 [0,2,0,0,0,0|1,0,0]=3 614 B13R1.377 CC(=O)c1cccc(c1Cl)OCF f82330a10bf14614af4d77b2a60e4335 [0,2,0,0,0,0|1,0,0]=3 615 B13R1.377 CC(=O)c1cccc(c1F)NCF 323d0d41a5e687b77d0b208e4f25d8bd [0,2,0,0,0,0|2,0,0]=4 616 B13R1.377 CC(=O)c1cccc(c1F)NCO 30e7e57a887450e176346f0307f2e975 [0,2,0,0,0,0|2,0,0]=4 617 B13R1.377 CC(=O)c1cccc(c1F)OCF 50dc6bedc36df813458eccf5d502703a [0,2,0,0,0,0|1,0,0]=3 618 B13R1.377 CCNc1cccc(c1Br)C(=O)O 6796a6d568a8657e84df1a8421668a2b [0,2,0,0,0,0|1,0,0]=3 619 B13R1.377 CCNc1cccc(c1C)C(=O)N 29350b55ebcbd38fb145429ae0a22df8 [0,2,0,0,0,0|2,0,0]=4 620 B13R1.377 CCNc1cccc(c1C)C(=O)O 10e8082bd06d2abad11a58726727608a [0,2,0,0,0,0|1,0,0]=3 621 B13R1.377 CCNc1cccc(c1Cl)C(=O)O a5a9b37b9539aea9722f227d6bda2172 [0,2,0,0,0,0|1,0,0]=3 622 B13R1.377 CCNc1cccc(c1F)C(=O)C 58dc8a96621e5967c15c9aa1cba10570 [0,2,0,0,0,0|2,0,0]=4 623 B13R1.377 CCNc1cccc(c1F)C(=O)N b9880186bc2deee7feb55aeaefea8699 [0,2,0,0,0,0|2,0,0]=4 624 B13R1.377 CCNc1cccc(c1F)C(=O)O 8f2398aa0aafc2b46dcd4ff502efbb64 [0,2,0,0,0,0|1,0,0]=3 625 B13R1.377 CCNc1cncc(c1C)C(=O)O 2dd5dae18608de6e4674b6d499d8db3b [0,2,0,0,0,0|2,0,0]=4 626 B13R1.377 CCNc1nccc(c1F)C(=O)O d7fa4ab4f69c1693706dc69e9a5e0793 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.377 CCOc1cccc(c1Br)C(=O)C 623f4ce378580a8bead7ea709372c0bb [0,2,0,0,0,0|1,0,0]=3 628 B13R1.377 CCOc1cccc(c1Br)C(=O)N 7b892fc1263f6ce25489b48c8b33bfa5 [0,2,0,0,0,0|1,0,0]=3 629 B13R1.377 CCOc1cccc(c1Br)C(=O)O 92b3dcb2b8d52dfcddd3d574884cd1c2 [0,2,0,0,0,0|0,0,0]=2 630 B13R1.377 CCOc1cccc(c1Br)[N+](=O)[O-] 2ef653af901961895d4ff43c2a67273b [0,2,0,0,0,0|1,0,1]=4 631 B13R1.377 CCOc1cccc(c1C)C(=O)C 9060774d31ebe6b68499570bec79fd6a [0,2,0,0,0,0|1,0,0]=3 632 B13R1.377 CCOc1cccc(c1C)C(=O)O e686dbe8e257a96ab84e92760d2ebc87 [0,2,0,0,0,0|0,0,0]=2 633 B13R1.377 CCOc1cccc(c1Cl)C(=O)C b450b029cd82495d5fa4c18d9a8b9b8e [0,2,0,0,0,0|1,0,0]=3 634 B13R1.377 CCOc1cccc(c1Cl)C(=O)O 0353cd6b84c393ec354ac314904d4568 [0,2,0,0,0,0|0,0,0]=2 635 B13R1.377 CCOc1cccc(c1Cl)[N+](=O)[O-] 7d2a34d4ef77f7dfd48309f8fc539d38 [0,2,0,0,0,0|1,0,1]=4 636 B13R1.377 CCOc1cccc(c1F)C(=O)C 03194cb1000d9b3e35d2ebb96e829e95 [0,2,0,0,0,0|1,0,0]=3 637 B13R1.377 CCOc1cccc(c1F)C(=O)N cd35af1574d49a96ebdb7088026eac32 [0,2,0,0,0,0|1,0,0]=3 638 B13R1.377 CCOc1cccc(c1F)C(=O)O c0aaa81f5d125caa8eb567bb2ecd3edc [0,2,0,0,0,0|0,0,0]=2 639 B13R1.377 CCOc1cccc(c1I)C(=O)O 9f6c552c74df2e664603bd48b58706d5 [0,2,0,0,0,0|0,0,0]=2 640 B13R1.377 CCOc1cccc(c1I)[N+](=O)[O-] 2553f17479999d922744bf5efd567414 [0,2,0,0,0,0|1,0,1]=4 641 B13R1.377 CCOn1cccc(c1=O)C(=O)O 661532dce1f6d552f6d78e2e0920a595 [0,2,0,0,0,0|1,0,0]=3 642 B13R1.377 Cc1c(cccc1C(=O)N)NCF b9f1e4656bcb47b24cf3b9744e2f88ba [0,2,0,0,0,0|2,0,0]=4 643 B13R1.377 Cc1c(cccc1C(=O)N)NCO 1a752a6141ef239b6b9e05ab24d44a78 [0,2,0,0,0,0|2,0,0]=4 644 B13R1.377 Cc1c(cccc1C(=O)O)NCF 93295dd175f9e9ee763ec4ba0cee41b5 [0,2,0,0,0,0|1,0,0]=3 645 B13R1.377 Cc1c(cccc1C(=O)O)NCO 2dc75e0d6fd7e5cc323c6cc6763b6a17 [0,2,0,0,0,0|1,0,0]=3 646 B13R1.377 Cc1c(cccc1C(=O)O)OCF 5feca13c34c13ec0829b067dd78014eb [0,2,0,0,0,0|0,0,0]=2 647 B13R1.377 Cc1c(cccc1[N+](=O)[O-])OCF 91e818777fa281d3b9708087ea8f9a46 [0,2,0,0,0,0|1,0,1]=4 648 B13R1.377 Cc1c(cncc1C(=O)O)NCF cc7bf73ddc47c465d8898b0e8e256391 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.377 Cc1c(cncc1C(=O)O)NCO 72df445d717daa9dc4e197971a3f98bc [0,2,0,0,0,0|2,0,0]=4 650 B13R1.377 NC(=O)c1cccc(c1Br)OCF 000181a24d064dd9ed23a98e46754170 [0,2,0,0,0,0|1,0,0]=3 651 B13R1.377 NC(=O)c1cccc(c1F)NCF 748e4485867089cb4398d8afbccdb4f6 [0,2,0,0,0,0|2,0,0]=4 652 B13R1.377 NC(=O)c1cccc(c1F)NCO 0895e3ca105b1da99dde3f28679445fe [0,2,0,0,0,0|2,0,0]=4 653 B13R1.377 NC(=O)c1cccc(c1F)OCF 589a65f69617b29cc46d97d78fe86761 [0,2,0,0,0,0|1,0,0]=3 654 B13R1.377 O=C(O)c1cccc(c1Br)NCF 2c3679cb5c8bbff132c2730ec477d254 [0,2,0,0,0,0|1,0,0]=3 655 B13R1.377 O=C(O)c1cccc(c1Br)NCO 9bc7993c728687d6b168638bb93d2428 [0,2,0,0,0,0|1,0,0]=3 656 B13R1.377 O=C(O)c1cccc(c1Br)OCF 199e2abecc82f816632cd82cf5bca02f [0,2,0,0,0,0|0,0,0]=2 657 B13R1.377 O=C(O)c1cccc(c1Cl)NCF 5a8a23cb5cd8ec66dadd8e934a1b9c5a [0,2,0,0,0,0|1,0,0]=3 658 B13R1.377 O=C(O)c1cccc(c1Cl)NCO 81355afed7c6e4b546491054a27f243a [0,2,0,0,0,0|1,0,0]=3 659 B13R1.377 O=C(O)c1cccc(c1Cl)OCF a24db1c29914625f67d43b144568c8b2 [0,2,0,0,0,0|0,0,0]=2 660 B13R1.377 O=C(O)c1cccc(c1F)NCF beed7ebfce9610341a13ecd5e0fa33d3 [0,2,0,0,0,0|1,0,0]=3 661 B13R1.377 O=C(O)c1cccc(c1F)OCF 6394e94f0214ee22ce9521811f63d19b [0,2,0,0,0,0|0,0,0]=2 662 B13R1.377 O=C(O)c1cccc(c1I)OCF 320583f5f88302feb801577758af32b6 [0,2,0,0,0,0|0,0,0]=2 663 B13R1.377 O=C(O)c1cccn(c1=O)OCF 99eaed38728b85236fa3f55437130949 [0,2,0,0,0,0|1,0,0]=3 664 B13R1.377 O=C(O)c1ccnc(c1F)NCF f36a0d849e56941de61621d592aca662 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.377 O=C(O)c1ccnc(c1F)NCO 0d911f9854a8262fabf5d1bbb0a1e3b5 [0,2,0,0,0,0|2,0,0]=4 666 B13R1.377 O=[N+]([O-])c1cccc(c1Cl)OCF 366b00b5a4bed624d2279549a1b3260c [0,2,0,0,0,0|1,0,1]=4 667 B13R1.377 O=[N+]([O-])c1cccc(c1I)OCF d39f809412850a8825f40f6c7bb1b9a8 [0,2,0,0,0,0|1,0,1]=4 668 B13R1.387 CC(=O)c1cc(ccc1Br)NCF bc3c67736a267c3e95a788f05dfdcbd3 [0,2,0,0,0,0|2,0,0]=4 669 B13R1.387 CC(=O)c1cc(ccc1Br)NCO 81ef41f9e61be5880a03898f00becab4 [0,2,0,0,0,0|2,0,0]=4 670 B13R1.387 CC(=O)c1cc(ccc1Br)OCF 4ccc66a0ba3a7026753e60a0a32294cc [0,2,0,0,0,0|1,0,0]=3 671 B13R1.387 CC(=O)c1cc(ccc1C)NCF deeb9e5f8da23f4397f9be5931f7b1be [0,2,0,0,0,0|2,0,0]=4 672 B13R1.387 CC(=O)c1cc(ccc1C)NCO 2b541c415dc45121aaee7fef487b9be2 [0,2,0,0,0,0|2,0,0]=4 673 B13R1.387 CC(=O)c1cc(ccc1C)OCF 01fb9ee23215251b5eeff122741fd5d4 [0,2,0,0,0,0|1,0,0]=3 674 B13R1.387 CC(=O)c1cc(ccc1Cl)NCF 50195d183ca47e575672e47d72b00071 [0,2,0,0,0,0|2,0,0]=4 675 B13R1.387 CC(=O)c1cc(ccc1Cl)NCO 4ff71aadc48888b65569386e15ed88c4 [0,2,0,0,0,0|2,0,0]=4 676 B13R1.387 CC(=O)c1cc(ccc1Cl)OCF b48734ff9adf1ef12270705e8fa51ac4 [0,2,0,0,0,0|1,0,0]=3 677 B13R1.387 CC(=O)c1cc(ccc1F)NCF bf191a96fffdf5ada57617a1ed545fa7 [0,2,0,0,0,0|2,0,0]=4 678 B13R1.387 CC(=O)c1cc(ccc1F)NCO eb6e303d0dbbf2ccbd99af5f62b3f3d8 [0,2,0,0,0,0|2,0,0]=4 679 B13R1.387 CC(=O)c1cc(ccc1F)OCF 0a5a27bd1649df8a4982e826d601ec36 [0,2,0,0,0,0|1,0,0]=3 680 B13R1.387 CCNc1cc(c(cn1)Br)C(=O)O ddb198de79b56449920a73babdbebc9a [0,2,0,0,0,0|2,0,0]=4 681 B13R1.387 CCNc1cc(c(cn1)Cl)C(=O)O 4996cb512c04d3f717327e6940c833e4 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.387 CCNc1cc(c(cn1)F)C(=O)O bd37516d33f851b896cc8889f802421e [0,2,0,0,0,0|2,0,0]=4 683 B13R1.387 CCNc1ccc(c(c1)C(=O)C)Br 48d3a8110467c3211e13861485f5e561 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.387 CCNc1ccc(c(c1)C(=O)C)C 77d8d9ff978ca953cd22787d6ad9d7b7 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.387 CCNc1ccc(c(c1)C(=O)C)Cl c85cebea2f4eb1f3500322d86159bbcb [0,2,0,0,0,0|2,0,0]=4 686 B13R1.387 CCNc1ccc(c(c1)C(=O)C)F 2a5adeee5635a50c3455461a1f99eccf [0,2,0,0,0,0|2,0,0]=4 687 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Br 6bf4c948e8cd98f8146fa57f02abd57e [0,2,0,0,0,0|2,0,0]=4 688 B13R1.387 CCNc1ccc(c(c1)C(=O)N)C 4d5af210b607df6090e2d08352655e4c [0,2,0,0,0,0|2,0,0]=4 689 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Cl 4fb2c7f39b72ad126d92bff834be37f3 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.387 CCNc1ccc(c(c1)C(=O)N)F 0fa5eff5a83d7ce72fe8b9cdf3893fbe [0,2,0,0,0,0|2,0,0]=4 691 B13R1.387 CCNc1ccc(c(c1)C(=O)O)Br 7e22a2cea61c347befbb5aa1f0186266 [0,2,0,0,0,0|1,0,0]=3 692 B13R1.387 CCNc1ccc(c(c1)C(=O)O)C 52c761be9db52cbbe441318fba5f25fd [0,2,0,0,0,0|1,0,0]=3 693 B13R1.387 CCNc1ccc(c(c1)C(=O)O)Cl cbc3a41fd7ed1ae3abf534bcf88edd76 [0,2,0,0,0,0|1,0,0]=3 694 B13R1.387 CCNc1ccc(c(c1)C(=O)O)F 7485474028ce437e2f1d6cfb3a7a040c [0,2,0,0,0,0|1,0,0]=3 695 B13R1.387 CCNc1ccc(c(c1)C(=O)O)I b47c7d30cc1b45ae30a5142c818f310f [0,2,0,0,0,0|1,0,0]=3 696 B13R1.387 CCNc1ccc(c(n1)C(=O)O)Br da10c4209571ad8db83e772c22d1fb28 [0,2,0,0,0,0|2,0,0]=4 697 B13R1.387 CCNc1ccc(c(n1)C(=O)O)Cl e274690c6dc587133434753fde088df1 [0,2,0,0,0,0|2,0,0]=4 698 B13R1.387 CCNc1cnc(c(c1)C(=O)O)C 135b17b0296c12736fc56e84335a2435 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.387 CCNc1cnc(c(c1)C(=O)O)Cl 47d0952c58f6957ff2902c42bdbdd70a [0,2,0,0,0,0|2,0,0]=4 700 B13R1.387 CCNc1cnc(c(c1)C(=O)O)F be400e3970a6aa79eb24fc5138a1ec7e [0,2,0,0,0,0|2,0,0]=4 701 B13R1.387 CCOc1cc(c(cn1)Br)C(=O)O b7ba2e08e269b6ab8d5d8d309389a787 [0,2,0,0,0,0|1,0,0]=3 702 B13R1.387 CCOc1ccc(c(c1)C(=O)C)Br 0df0fd6445575c526366b660f016a7d5 [0,2,0,0,0,0|1,0,0]=3 703 B13R1.387 CCOc1ccc(c(c1)C(=O)C)C 4f15840b903ef97f33b3007488d83bf5 [0,2,0,0,0,0|1,0,0]=3 704 B13R1.387 CCOc1ccc(c(c1)C(=O)C)Cl 35da6c866899bfb72130d1b0adfff9da [0,2,0,0,0,0|1,0,0]=3 705 B13R1.387 CCOc1ccc(c(c1)C(=O)C)F f6326f464d5d573bcbac92b8cc1098e6 [0,2,0,0,0,0|1,0,0]=3 706 B13R1.387 CCOc1ccc(c(c1)C(=O)N)Cl 8ff9756d5263d9baffcdfc8e697233e2 [0,2,0,0,0,0|1,0,0]=3 707 B13R1.387 CCOc1ccc(c(c1)C(=O)N)F 1c4825fd3ffcebb724d216c20631c92f [0,2,0,0,0,0|1,0,0]=3 708 B13R1.387 CCOc1ccc(c(c1)C(=O)O)Br c1f087933b252ad30266a424f84d8199 [0,2,0,0,0,0|0,0,0]=2 709 B13R1.387 CCOc1ccc(c(c1)C(=O)O)C 841b41f8b53fac293d064d4f53ab1e32 [0,2,0,0,0,0|0,0,0]=2 710 B13R1.387 CCOc1ccc(c(c1)C(=O)O)Cl 0122b3de1bd44e60c43a31b0a154e603 [0,2,0,0,0,0|0,0,0]=2 711 B13R1.387 CCOc1ccc(c(c1)C(=O)O)F 01edcefedaf42f40133a621d5328e663 [0,2,0,0,0,0|0,0,0]=2 712 B13R1.387 CCOc1ccc(c(c1)C(=O)O)I 0a4ffa5be16eede938e7e53e805028d0 [0,2,0,0,0,0|0,0,0]=2 713 B13R1.387 CCOc1ccc(c(c1)S(=O)C)F 5bb347144f80fc0cc51b74acfb260d18 [0,2,0,0,0,0|2,0,0]=4 714 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Br 5977d58818f90b28935231eb725ca122 [0,2,0,0,0,0|1,0,1]=4 715 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])C fe6758adce49361f83cdc7f5e3d529c3 [0,2,0,0,0,0|1,0,1]=4 716 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Cl 23b11b0fb783131a428f8499e9b83895 [0,2,0,0,0,0|1,0,1]=4 717 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])F 866fe17320886a245c79de16d9482075 [0,2,0,0,0,0|1,0,1]=4 718 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])I bdb95b51902558bc5cf99a1dd7a8e6fe [0,2,0,0,0,0|1,0,1]=4 719 B13R1.387 CCOc1ccc(c(n1)C(=O)O)C 564ccbf8c29d15f6a28ebb7ce04b8c22 [0,2,0,0,0,0|1,0,0]=3 720 B13R1.387 CCOc1ccc(c(n1)C(=O)O)Cl 137e31d8b6f7119b1ff61eb70975988a [0,2,0,0,0,0|1,0,0]=3 721 B13R1.387 CCOc1ccc(c(n1)C(=O)O)F 5c11d5d35df236b42e3d55dee339d16c [0,2,0,0,0,0|1,0,0]=3 722 B13R1.387 CCOc1cnc(c(c1)C(=O)O)C 5f5148702ad37ba06babc90dfb815a2c [0,2,0,0,0,0|1,0,0]=3 723 B13R1.387 CCOc1cnc(c(c1)C(=O)O)Cl 2fbe9c79ef959c8b5f11bcadf96fb3c6 [0,2,0,0,0,0|1,0,0]=3 724 B13R1.387 CCOc1ncc(c(n1)C(=O)O)Cl 22ef51737375b277f7eaf4194594a134 [0,2,0,0,0,0|2,0,0]=4 725 B13R1.387 CS(=O)c1cc(ccc1F)OCF 5ea3623a4357775d4138e3ec67a992ee [0,2,0,0,0,0|2,0,0]=4 726 B13R1.387 Cc1ccc(cc1C(=O)N)NCF 6a57b2d079f9a85bb82d9969700ab05a [0,2,0,0,0,0|2,0,0]=4 727 B13R1.387 Cc1ccc(cc1C(=O)N)NCO 5a2a376ba131ecdde1f4adbdb7037591 [0,2,0,0,0,0|2,0,0]=4 728 B13R1.387 Cc1ccc(cc1C(=O)O)NCF 9c4bea77bda761a2f7365202a7b1c1e5 [0,2,0,0,0,0|1,0,0]=3 729 B13R1.387 Cc1ccc(cc1C(=O)O)NCO aeae21a1dc60ae4517526825f808d12d [0,2,0,0,0,0|1,0,0]=3 730 B13R1.387 Cc1ccc(cc1C(=O)O)OCF 65277b378fb9e04dc2f94b95abe8b584 [0,2,0,0,0,0|0,0,0]=2 731 B13R1.387 Cc1ccc(cc1[N+](=O)[O-])OCF 5860a35039fc8dd8bf0069765db78a39 [0,2,0,0,0,0|1,0,1]=4 732 B13R1.387 Cc1ccc(nc1C(=O)O)OCF fe5f5cb7c269199272133038b45ccd61 [0,2,0,0,0,0|1,0,0]=3 733 B13R1.387 Cc1ncc(cc1C(=O)O)NCF 42cc52660dd61753c3ae31797623d7e8 [0,2,0,0,0,0|2,0,0]=4 734 B13R1.387 Cc1ncc(cc1C(=O)O)NCO 172f1766ad82611c5d6137f46d5904a1 [0,2,0,0,0,0|2,0,0]=4 735 B13R1.387 Cc1ncc(cc1C(=O)O)OCF 8dd93e4130e3f315b4830df6837bb764 [0,2,0,0,0,0|1,0,0]=3 736 B13R1.387 NC(=O)c1cc(ccc1Br)NCF f5b2e53939c3f67ba662d48c6de7b872 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.387 NC(=O)c1cc(ccc1Br)NCO dce24d5da7f94cdb40d2d61e1774a36b [0,2,0,0,0,0|2,0,0]=4 738 B13R1.387 NC(=O)c1cc(ccc1Cl)NCF 11b13efbed37a0c997f5030c65536556 [0,2,0,0,0,0|2,0,0]=4 739 B13R1.387 NC(=O)c1cc(ccc1Cl)NCO 0a4fbd2cb9cd148fb21f60ed60e01fc1 [0,2,0,0,0,0|2,0,0]=4 740 B13R1.387 NC(=O)c1cc(ccc1Cl)OCF 27c135dea597cd0778c0d54e28e4c84a [0,2,0,0,0,0|1,0,0]=3 741 B13R1.387 NC(=O)c1cc(ccc1F)NCF b227e6b0f59195e64425b59b3970cea8 [0,2,0,0,0,0|2,0,0]=4 742 B13R1.387 NC(=O)c1cc(ccc1F)NCO 21a21e1d8e2c17ac9e5eba4abd30f8d3 [0,2,0,0,0,0|2,0,0]=4 743 B13R1.387 NC(=O)c1cc(ccc1F)OCF 4cb17521fea6671b8555e22f81433c51 [0,2,0,0,0,0|1,0,0]=3 744 B13R1.387 O=C(O)c1cc(ccc1Br)NCF 2a69aeadfea4988d9bdf12016c5ad398 [0,2,0,0,0,0|1,0,0]=3 745 B13R1.387 O=C(O)c1cc(ccc1Br)NCO 50b6bae1df4bc7d91ee9183da9afcd93 [0,2,0,0,0,0|1,0,0]=3 746 B13R1.387 O=C(O)c1cc(ccc1Br)OCF 5f1aa442040a375b931a8ddadff93d49 [0,2,0,0,0,0|0,0,0]=2 747 B13R1.387 O=C(O)c1cc(ccc1Cl)NCF fa9c0c228efa2cc0d7ea8baf4028d168 [0,2,0,0,0,0|1,0,0]=3 748 B13R1.387 O=C(O)c1cc(ccc1Cl)NCO 4729aabe88596ca5b632e36bb9303f8d [0,2,0,0,0,0|1,0,0]=3 749 B13R1.387 O=C(O)c1cc(ccc1Cl)OCF 181b0a96faa49ff78ff4c19e996b129c [0,2,0,0,0,0|0,0,0]=2 750 B13R1.387 O=C(O)c1cc(ccc1F)NCF b993cbae2ff40714b1ab901beb04fe41 [0,2,0,0,0,0|1,0,0]=3 751 B13R1.387 O=C(O)c1cc(ccc1F)NCO d2a7e4f2df012b38cd364568039d5ee8 [0,2,0,0,0,0|1,0,0]=3 752 B13R1.387 O=C(O)c1cc(ccc1F)OCF 40d62610b76e7c1b26dee963411f7f4a [0,2,0,0,0,0|0,0,0]=2 753 B13R1.387 O=C(O)c1cc(ccc1I)NCF daaccaee8e0224f2a02d58151090c144 [0,2,0,0,0,0|1,0,0]=3 754 B13R1.387 O=C(O)c1cc(ccc1I)NCO c4a6744b18169d00dbf010c158afb3fc [0,2,0,0,0,0|1,0,0]=3 755 B13R1.387 O=C(O)c1cc(ccc1I)OCF 94c28f9428da5d398608bf51fe9961f9 [0,2,0,0,0,0|0,0,0]=2 756 B13R1.387 O=C(O)c1cc(cnc1Cl)NCF c50148d865e72549da53de829928b06e [0,2,0,0,0,0|2,0,0]=4 757 B13R1.387 O=C(O)c1cc(cnc1Cl)NCO 1b5b365c1d160f2366855eb027ef082f [0,2,0,0,0,0|2,0,0]=4 758 B13R1.387 O=C(O)c1cc(cnc1Cl)OCF 852b5fb87c8ec4e5f29744553a021a64 [0,2,0,0,0,0|1,0,0]=3 759 B13R1.387 O=C(O)c1cc(cnc1F)NCF d9956029d33f1d444c28f095ba890468 [0,2,0,0,0,0|2,0,0]=4 760 B13R1.387 O=C(O)c1cc(cnc1F)NCO a340cb77c3eac2bd017328ccfd646f35 [0,2,0,0,0,0|2,0,0]=4 761 B13R1.387 O=C(O)c1cc(ncc1Br)NCF 85026872bc071556466977bddd0631a5 [0,2,0,0,0,0|2,0,0]=4 762 B13R1.387 O=C(O)c1cc(ncc1Br)NCO 8cb13f7f3a4a91947eed445fbbd39802 [0,2,0,0,0,0|2,0,0]=4 763 B13R1.387 O=C(O)c1cc(ncc1Br)OCF e21f3e6e08e4f18a211d004730777987 [0,2,0,0,0,0|1,0,0]=3 764 B13R1.387 O=C(O)c1cc(ncc1Cl)NCF 58c488c1b55f2b058caa54c03e4c60ac [0,2,0,0,0,0|2,0,0]=4 765 B13R1.387 O=C(O)c1cc(ncc1Cl)NCO 8976a943bd545b7ea63035252b48d399 [0,2,0,0,0,0|2,0,0]=4 766 B13R1.387 O=C(O)c1cc(ncc1F)NCF 9426dafba7c71d9f3ef97003fb64bc53 [0,2,0,0,0,0|2,0,0]=4 767 B13R1.387 O=C(O)c1cc(ncc1F)NCO 4dc2c64061d6d07e0a3646c80a339fff [0,2,0,0,0,0|2,0,0]=4 768 B13R1.387 O=C(O)c1nc(ccc1Br)NCF 35dfb07d0f4406fd76ece99ace37f95b [0,2,0,0,0,0|2,0,0]=4 769 B13R1.387 O=C(O)c1nc(ccc1Br)NCO 34de46053b018af13ea4e720f5bc2840 [0,2,0,0,0,0|2,0,0]=4 770 B13R1.387 O=C(O)c1nc(ccc1Br)OCF 0d80ef37d0da3195b019fa23fabd425e [0,2,0,0,0,0|1,0,0]=3 771 B13R1.387 O=C(O)c1nc(ccc1Cl)NCF 39a2f9de4f20c1c94ff8c10b2ce49084 [0,2,0,0,0,0|2,0,0]=4 772 B13R1.387 O=C(O)c1nc(ccc1Cl)NCO 6d5a6ba3dbac91554f279c11b75b2915 [0,2,0,0,0,0|2,0,0]=4 773 B13R1.387 O=C(O)c1nc(ccc1Cl)OCF b5e1b862b73d0d97b1224d8676915d5a [0,2,0,0,0,0|1,0,0]=3 774 B13R1.387 O=C(O)c1nc(ccc1F)OCF 1df9382a0c09bf52c5e75cb9c167fee6 [0,2,0,0,0,0|1,0,0]=3 775 B13R1.387 O=C(O)c1nc(ncc1Cl)OCF 96d217533c7eeb70ae78f07cef63a9d5 [0,2,0,0,0,0|2,0,0]=4 776 B13R1.387 O=[N+]([O-])c1cc(ccc1Br)OCF 85b808621e61683cd32b63d0f51cb66d [0,2,0,0,0,0|1,0,1]=4 777 B13R1.387 O=[N+]([O-])c1cc(ccc1Cl)OCF 9f48187f989592ec018e75eabaf009ad [0,2,0,0,0,0|1,0,1]=4 778 B13R1.387 O=[N+]([O-])c1cc(ccc1F)OCF 4b5795f964eae295e9c62c01ce0e3251 [0,2,0,0,0,0|1,0,1]=4 779 B13R1.387 O=[N+]([O-])c1cc(ccc1I)OCF 661179d7f86f799ad68ebec6c23d9c51 [0,2,0,0,0,0|1,0,1]=4 780 B13R1.568 C#CCNc1cc(ccn1)C(=O)O 5745e6c1b2a4697dcd51d7ede87b25ba [0,2,0,0,0,0|2,0,0]=4 781 B13R1.568 C#CCNc1cccc(c1)C(=O)C d70e8e41f4646abd493ef3f308881063 [0,2,0,0,0,0|2,0,0]=4 782 B13R1.568 C#CCNc1cccc(c1)C(=O)N 83cc273a0e419a26ebca179ec858c3e6 [0,2,0,0,0,0|2,0,0]=4 783 B13R1.568 C#CCNc1cccc(c1)C(=O)O 925dbb777ae70a74078b8fe7b681dcc7 [0,2,0,0,0,0|1,0,0]=3 784 B13R1.568 C#CCNc1cccc(n1)C(=O)O d13929acc0aff89ee47835a536e120a8 [0,2,0,0,0,0|2,0,0]=4 785 B13R1.568 C#CCNc1ccnc(c1)C(=O)O 700b3d077210c72c32132aded662f00a [0,2,0,0,0,0|2,0,0]=4 786 B13R1.568 C#CCNc1cncc(c1)C(=O)O bc0eb3d634a5aeeaa74343984c2bee80 [0,2,0,0,0,0|2,0,0]=4 787 B13R1.568 C#CCOc1cc(ccn1)C(=O)O 340338c442312604e5cd536902e5eebc [0,2,0,0,0,0|1,0,0]=3 788 B13R1.568 C#CCOc1cc(ncn1)C(=O)O 61beae14ede20401d7cca1433555ab06 [0,2,0,0,0,0|2,0,0]=4 789 B13R1.568 C#CCOc1cccc(c1)C(=O)C ced48b9e22d965e0d143a427fb304957 [0,2,0,0,0,0|1,0,0]=3 790 B13R1.568 C#CCOc1cccc(c1)C(=O)N dc0df33cc23655f117aecc3874e3cc4c [0,2,0,0,0,0|1,0,0]=3 791 B13R1.568 C#CCOc1cccc(c1)C(=O)O f94ddc5fd4479e7c3ddeac7b667628fe [0,2,0,0,0,0|0,0,0]=2 792 B13R1.568 C#CCOc1cccc(c1)C(=S)N a2646b7b45eda2cf8fce3a18724ae45f [0,2,0,0,0,0|1,1,0]=4 793 B13R1.568 C#CCOc1cccc(c1)[N+](=O)[O-] 2bb6002037fc4391fb95af9add3b1158 [0,2,0,0,0,0|1,0,1]=4 794 B13R1.568 C#CCOc1cccc(n1)C(=O)N f03d7021cc1f9be32bf0a7af0f0ec852 [0,2,0,0,0,0|2,0,0]=4 795 B13R1.568 C#CCOc1cccc(n1)C(=O)O 04a5c551edd8add7980a311d27e8f758 [0,2,0,0,0,0|1,0,0]=3 796 B13R1.568 C#CCOc1ccnc(c1)C(=O)O 1201a0ff016cbd13089a6e60a808f0b2 [0,2,0,0,0,0|1,0,0]=3 797 B13R1.568 C#CCOc1cncc(c1)C(=O)C d816f5084309cbfa5e8f136719144b08 [0,2,0,0,0,0|2,0,0]=4 798 B13R1.568 C#CCOc1cncc(c1)C(=O)N 0f17d5e1a750a7513c553c030926b617 [0,2,0,0,0,0|2,0,0]=4 799 B13R1.568 C#CCOc1cncc(c1)C(=O)O bd5c0e5fff0531061f1a4ac7486279cd [0,2,0,0,0,0|1,0,0]=3 800 B13R1.568 C=CCNc1cc(ccn1)C(=O)O 4eb27f185a6008649cc9db8dafa5a364 [0,2,0,0,0,0|2,0,0]=4 801 B13R1.568 C=CCNc1cccc(c1)C(=O)C 8b191b8a07db2e55e84be9cad2430708 [0,2,0,0,0,0|2,0,0]=4 802 B13R1.568 C=CCNc1cccc(c1)C(=O)N e3235e47993b5f144d7ceb1bc9ceb6f0 [0,2,0,0,0,0|2,0,0]=4 803 B13R1.568 C=CCNc1cccc(c1)C(=O)O 3328462df09b3ef6dfe407eeb4373c66 [0,2,0,0,0,0|1,0,0]=3 804 B13R1.568 C=CCNc1cccc(n1)C(=O)O eedbc3e52e5f5db81f2012d58697b1c0 [0,2,0,0,0,0|2,0,0]=4 805 B13R1.568 C=CCNc1ccnc(c1)C(=O)O 991848e8c87c3f4c4b7580d9d4b32858 [0,2,0,0,0,0|2,0,0]=4 806 B13R1.568 C=CCNc1cncc(c1)C(=O)O 2323780e6d171cb84a0ff342f001338f [0,2,0,0,0,0|2,0,0]=4 807 B13R1.568 C=CCOc1cc(ccn1)C(=O)O 86d755c9081855e6248415439ca0075f [0,2,0,0,0,0|1,0,0]=3 808 B13R1.568 C=CCOc1cc(ncn1)C(=O)O 57cb806b3aee87a0607f96364b87e76c [0,2,0,0,0,0|2,0,0]=4 809 B13R1.568 C=CCOc1cccc(c1)C(=O)C 98c32013a0bf0a3d8a8beff256d7036e [0,2,0,0,0,0|1,0,0]=3 810 B13R1.568 C=CCOc1cccc(c1)C(=O)N e4346ab996085efa6dc8aff972f68f0c [0,2,0,0,0,0|1,0,0]=3 811 B13R1.568 C=CCOc1cccc(c1)C(=O)O b7e23c5ffc1bfd9c1196137b39a8fd0d [0,2,0,0,0,0|0,0,0]=2 812 B13R1.568 C=CCOc1cccc(c1)C(=S)N c4f5009ad3f6eb287d8b0742d009ce34 [0,2,0,0,0,0|1,1,0]=4 813 B13R1.568 C=CCOc1cccc(c1)[N+](=O)[O-] 13736b10ee908e594112fd96bcf7ce45 [0,2,0,0,0,0|1,0,1]=4 814 B13R1.568 C=CCOc1cccc(n1)C(=O)N 3db3bcfad10535792486a30010bbd010 [0,2,0,0,0,0|2,0,0]=4 815 B13R1.568 C=CCOc1cccc(n1)C(=O)O 3d3e6fc13deca9274cef07f1b6eddd0d [0,2,0,0,0,0|1,0,0]=3 816 B13R1.568 C=CCOc1ccnc(c1)C(=O)O 82b90820eb71d09797924f58c18c1a48 [0,2,0,0,0,0|1,0,0]=3 817 B13R1.568 C=CCOc1cncc(c1)C(=O)C 59d67f088872197707d90e5a784f6b12 [0,2,0,0,0,0|2,0,0]=4 818 B13R1.568 C=CCOc1cncc(c1)C(=O)N df646ec9bc0a7a451620cdd6bbca9ff3 [0,2,0,0,0,0|2,0,0]=4 819 B13R1.568 C=CCOc1cncc(c1)C(=O)O 400131810c316f6c224f22fdb6df83a2 [0,2,0,0,0,0|1,0,0]=3 820 B13R1.568 CC(=O)c1cccc(c1)COCF 4cccc9d79059e8239017cb7e4b809d29 [0,2,0,0,0,0|1,0,0]=3 821 B13R1.568 CC(=O)c1cccc(c1)NCC#N 3fbd2226c92e311481e0b3965b538787 [0,2,0,0,0,0|2,0,0]=4 822 B13R1.568 CC(=O)c1cccc(c1)NCC=O 8c6d222aca2034caf493a9b0d90916c6 [0,2,0,0,0,0|2,0,0]=4 823 B13R1.568 CC(=O)c1cccc(c1)NCCBr e03c5ef8e2c3195482f49a94277358ab [0,2,0,0,0,0|2,0,0]=4 824 B13R1.568 CC(=O)c1cccc(c1)NCCF 15cb00e06b32779eb4e8fd97cea25825 [0,2,0,0,0,0|2,0,0]=4 825 B13R1.568 CC(=O)c1cccc(c1)NCCI be1355779ea0a07236346d28d717fe9e [0,2,0,0,0,0|2,0,0]=4 826 B13R1.568 CC(=O)c1cccc(c1)NCCO 2a19c43f1fe55fd35071e734ec5881ef [0,2,0,0,0,0|2,0,0]=4 827 B13R1.568 CC(=O)c1cccc(c1)NCCS 188739912962120e0ea36910393ebcac [0,2,0,0,0,0|2,0,0]=4 828 B13R1.568 CC(=O)c1cccc(c1)OCC#N ec30213a881e17e40735d51174693db9 [0,2,0,0,0,0|1,0,0]=3 829 B13R1.568 CC(=O)c1cccc(c1)OCC=O 3de4452d0912ea3d90a421f05660bff9 [0,2,0,0,0,0|1,0,0]=3 830 B13R1.568 CC(=O)c1cccc(c1)OCCF fb6fb9020b40beba7bc43844a344afe8 [0,2,0,0,0,0|1,0,0]=3 831 B13R1.568 CC(=O)c1cccc(c1)OCCS 3c1cdca1f1cc4561055f0b3e21da83e9 [0,2,0,0,0,0|1,0,0]=3 832 B13R1.568 CC(=O)c1cccc(n1)COCF 86a83c3825410ef93d7823c1970cfe5c [0,2,0,0,0,0|2,0,0]=4 833 B13R1.568 CC(=O)c1ccnc(c1)COCF bf97a69e68f5a9eec3460f97b9197497 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.568 CC(=O)c1cncc(c1)OCC#N 5ebb9a4da164ab70060a462f9b737c1c [0,2,0,0,0,0|2,0,0]=4 835 B13R1.568 CC(=O)c1cncc(c1)OCC=O 8986d3308d4b5b01a96b63a847f16136 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.568 CC(=O)c1cncc(c1)OCCF 86724ad0bef558b9a0bfa4483c7ed95d [0,2,0,0,0,0|2,0,0]=4 837 B13R1.568 CC(=O)c1cncc(c1)OCCS e2f22de788da2d9bf763c1b083d32623 [0,2,0,0,0,0|2,0,0]=4 838 B13R1.568 CCCNc1cc(ccn1)C(=O)O fccd0a13ecb570e2947de03033cd3e47 [0,2,0,0,0,0|2,0,0]=4 839 B13R1.568 CCCNc1cccc(c1)C(=O)C c88a71e7fa5fec2f0a6d10a54ebd8413 [0,2,0,0,0,0|2,0,0]=4 840 B13R1.568 CCCNc1cccc(c1)C(=O)N 2a0936b96dffc0f0dc1c38f9d2d2ecbd [0,2,0,0,0,0|2,0,0]=4 841 B13R1.568 CCCNc1cccc(c1)C(=O)O 35760860d317c6a60e45d2c8f697bd87 [0,2,0,0,0,0|1,0,0]=3 842 B13R1.568 CCCNc1cccc(n1)C(=O)O efdd026549aa477aff429ebdc25b4689 [0,2,0,0,0,0|2,0,0]=4 843 B13R1.568 CCCNc1ccnc(c1)C(=O)O dd5ccb27ac52db8aa88d5a80bf4d0bb4 [0,2,0,0,0,0|2,0,0]=4 844 B13R1.568 CCCNc1cncc(c1)C(=O)O 4feaf5a2ab01e1b262b87d5f365ef099 [0,2,0,0,0,0|2,0,0]=4 845 B13R1.568 CCCOc1cc(ccn1)C(=O)O a8e9b00b3d7b3e23008e3c3b2dd2ee0c [0,2,0,0,0,0|1,0,0]=3 846 B13R1.568 CCCOc1cc(ncn1)C(=O)O 15e57672e92247a922a35f2fec1a2d07 [0,2,0,0,0,0|2,0,0]=4 847 B13R1.568 CCCOc1cccc(c1)C(=O)C b6e87b6c791ac0af27184bbfa634fcd2 [0,2,0,0,0,0|1,0,0]=3 848 B13R1.568 CCCOc1cccc(c1)C(=O)N 3f98a6d7a91f228301f6ecff32b5c140 [0,2,0,0,0,0|1,0,0]=3 849 B13R1.568 CCCOc1cccc(c1)C(=O)O b332990a7aa6781f76ed3205151de56a [0,2,0,0,0,0|0,0,0]=2 850 B13R1.568 CCCOc1cccc(c1)C(=S)N 01295dc32b848c4846f7d85e9d9e7f84 [0,2,0,0,0,0|1,1,0]=4 851 B13R1.568 CCCOc1cccc(c1)[N+](=O)[O-] 8de6a5a8fc409d58d51e657a095cc309 [0,2,0,0,0,0|1,0,1]=4 852 B13R1.568 CCCOc1cccc(n1)C(=O)N a48d1486d4dcaa9c652c9647e28e8a29 [0,2,0,0,0,0|2,0,0]=4 853 B13R1.568 CCCOc1cccc(n1)C(=O)O 7abf7d8873f0b5bc9d6625325237de56 [0,2,0,0,0,0|1,0,0]=3 854 B13R1.568 CCCOc1ccnc(c1)C(=O)O 9ba8ec83ffb7dc130594be916cd56d1e [0,2,0,0,0,0|1,0,0]=3 855 B13R1.568 CCCOc1cncc(c1)C(=O)C 75111692d6c76c4976e91163e3a2de6b [0,2,0,0,0,0|2,0,0]=4 856 B13R1.568 CCCOc1cncc(c1)C(=O)N 4d801acff5bb5191bad65cf06107362c [0,2,0,0,0,0|2,0,0]=4 857 B13R1.568 CCCOc1cncc(c1)C(=O)O ca4fab26fd8ecd6b81035a9bc004f5ce [0,2,0,0,0,0|1,0,0]=3 858 B13R1.568 CCNCc1cccc(c1)C(=O)N 0ee8f380733cd74ffd5d01dd9bd8e57a [0,2,0,0,0,0|2,0,0]=4 859 B13R1.568 CCNCc1cccc(c1)C(=O)O 7aa7ea403951dd0ca0cb5ffc6dc472b0 [0,2,0,0,0,0|1,0,0]=3 860 B13R1.568 CCOCc1cc(ccn1)C(=O)C 246511a102a29588162e8b44e9548476 [0,2,0,0,0,0|2,0,0]=4 861 B13R1.568 CCOCc1cc(ccn1)C(=O)O cf0b73a66549474c77d68b35c81a02bf [0,2,0,0,0,0|1,0,0]=3 862 B13R1.568 CCOCc1cccc(c1)C(=O)C 2728fa5e106960f29fcdde704bd755ee [0,2,0,0,0,0|1,0,0]=3 863 B13R1.568 CCOCc1cccc(c1)C(=O)N 48cbc3a9377a376b7fc2fab30c76856b [0,2,0,0,0,0|1,0,0]=3 864 B13R1.568 CCOCc1cccc(c1)C(=O)O 1383f7593ecf72b69eef685f6c4cf6b9 [0,2,0,0,0,0|0,0,0]=2 865 B13R1.568 CCOCc1cccc(c1)[N+](=O)[O-] e443d35229f45978e2af05e5a144c2c5 [0,2,0,0,0,0|1,0,1]=4 866 B13R1.568 CCOCc1cccc(n1)C(=O)C 3694848e69905bd5989be809f775b9fc [0,2,0,0,0,0|2,0,0]=4 867 B13R1.568 CCOCc1cccc(n1)C(=O)N eecc0fa9c8ff9405ab8f83b2df5667b2 [0,2,0,0,0,0|2,0,0]=4 868 B13R1.568 CCOCc1cccc(n1)C(=O)O 9b171e6cf200b1c228a4c3d3a2cd99e8 [0,2,0,0,0,0|1,0,0]=3 869 B13R1.568 CCOCc1ccnc(c1)C(=O)O 0f4d1e81f54e5e928083b087a007f78c [0,2,0,0,0,0|1,0,0]=3 870 B13R1.568 CCOCc1cncc(c1)C(=O)O e1cf669ae1737cddf2e29cdc491ac254 [0,2,0,0,0,0|1,0,0]=3 871 B13R1.568 COCNc1cc(ccn1)C(=O)C c789bb3dfc8e39f77ececdb1828b596a [0,2,0,0,0,0|2,0,0]=4 872 B13R1.568 COCNc1cc(ccn1)C(=O)N 8c6c4161b1e9bdaaca402afdf70144d8 [0,2,0,0,0,0|2,0,0]=4 873 B13R1.568 COCNc1cc(ccn1)C(=O)O 1d65b3ac080849d3f77b021ae43abe98 [0,2,0,0,0,0|1,0,0]=3 874 B13R1.568 COCNc1cc(cnn1)C(=O)O 1911ae2a34b7e0259efe8d0ba46c5470 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.568 COCNc1cc(ncn1)C(=O)O 076bbceafdf558c4231c13be17daa31d [0,2,0,0,0,0|2,0,0]=4 876 B13R1.568 COCNc1cccc(c1)C(=O)C 21ab09e47d4e04ee4136b58ddedc630e [0,2,0,0,0,0|1,0,0]=3 877 B13R1.568 COCNc1cccc(c1)C(=O)N 25dd43b41c6382ecef4f8784cb9b7a0f [0,2,0,0,0,0|1,0,0]=3 878 B13R1.568 COCNc1cccc(c1)C(=O)O 2b2a42ddee67587daa99f2608506f3f8 [0,2,0,0,0,0|0,0,0]=2 879 B13R1.568 COCNc1cccc(c1)C(=S)N dc4821830b2648b937e93f7f8476d81c [0,2,0,0,0,0|1,1,0]=4 880 B13R1.568 COCNc1cccc(c1)C(C)O 46f64d00d8737d05cabf25b183fa675e [0,2,0,0,0,0|1,0,1]=4 881 B13R1.568 COCNc1cccc(c1)[C@@H](C)O 6ef17806401a1c593aab6229bde880c2 [0,2,0,0,0,0|1,0,1]=4 882 B13R1.568 COCNc1cccc(c1)[N+](=O)[O-] a1bc9832ba3e30ef5191539db05d7e61 [0,2,0,0,0,0|1,0,1]=4 883 B13R1.568 COCNc1cccc(n1)C(=O)C 38bf9a824aa98c444d568bf63da64765 [0,2,0,0,0,0|2,0,0]=4 884 B13R1.568 COCNc1cccc(n1)C(=O)N a2f879ff4f8a6e2cbc2ee996b361f091 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.568 COCNc1cccc(n1)C(=O)O 764fc95f98d30c1fb7a625be9f6ab934 [0,2,0,0,0,0|1,0,0]=3 886 B13R1.568 COCNc1ccnc(c1)C(=O)C dd22c14a7f473f73f40af71577bca40d [0,2,0,0,0,0|2,0,0]=4 887 B13R1.568 COCNc1ccnc(c1)C(=O)N 244be348fa2dc066d4ed148deb080232 [0,2,0,0,0,0|2,0,0]=4 888 B13R1.568 COCNc1ccnc(c1)C(=O)O c4f5ee256226daeb95abffee3ab42430 [0,2,0,0,0,0|1,0,0]=3 889 B13R1.568 COCNc1ccnc(n1)C(=O)O bd37d6692f6dea8b16ded58c7b288c4a [0,2,0,0,0,0|2,0,0]=4 890 B13R1.568 COCNc1cncc(c1)C(=O)N 7924acd4a76530fb0f3a7ab3f79d30be [0,2,0,0,0,0|2,0,0]=4 891 B13R1.568 COCNc1cncc(c1)C(=O)O 354155909bfbc3277a5adade66495422 [0,2,0,0,0,0|1,0,0]=3 892 B13R1.568 COCNc1cncc(n1)C(=O)O 674de7323ceef9be451d647edbcf5853 [0,2,0,0,0,0|2,0,0]=4 893 B13R1.568 COCNc1nccc(n1)C(=O)O 5230b1ca88097563ce637c0603604c59 [0,2,0,0,0,0|2,0,0]=4 894 B13R1.568 COCOc1cc(ccn1)C(=O)O ed7b0d15671a39b03a1453360286d6a5 [0,2,0,0,0,0|1,0,0]=3 895 B13R1.568 COCOc1cc(ncn1)C(=O)O a47a269a66e395c7f153f6c8c856a686 [0,2,0,0,0,0|2,0,0]=4 896 B13R1.568 COCOc1cccc(c1)C(=O)C 473b8f824d843d083957e3b8563d6350 [0,2,0,0,0,0|1,0,0]=3 897 B13R1.568 COCOc1cccc(c1)C(=O)N 7b0324e81501c83257f40640b5d39c5b [0,2,0,0,0,0|1,0,0]=3 898 B13R1.568 COCOc1cccc(c1)C(=O)O 84d590a095a532c3c7f608ec2020aefa [0,2,0,0,0,0|0,0,0]=2 899 B13R1.568 COCOc1cccc(c1)C(=S)N 70aff3d7be8d0baca2ea1faf26ff4dc4 [0,2,0,0,0,0|1,1,0]=4 900 B13R1.568 COCOc1cccc(c1)[N+](=O)[O-] 0c4de7b69f9cd72830a78d6c92e98355 [0,2,0,0,0,0|1,0,1]=4 901 B13R1.568 COCOc1cccc(n1)C(=O)N e8ccff282233eab4a424638457f33098 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.568 COCOc1cccc(n1)C(=O)O e0636e99a77e287ad4ea8d53452fac8b [0,2,0,0,0,0|1,0,0]=3 903 B13R1.568 COCOc1ccnc(c1)C(=O)O 04a660925e90a0524dc5e66c124d6af9 [0,2,0,0,0,0|1,0,0]=3 904 B13R1.568 COCOc1cncc(c1)C(=O)C e000e5ea047d67230c670bf160a0b4b2 [0,2,0,0,0,0|2,0,0]=4 905 B13R1.568 COCOc1cncc(c1)C(=O)N 03518bbb305352b9b9bd7818f9c0a861 [0,2,0,0,0,0|2,0,0]=4 906 B13R1.568 COCOc1cncc(c1)C(=O)O 1c6d69fdb3bf32680c4e835848a79ca4 [0,2,0,0,0,0|1,0,0]=3 907 B13R1.568 CSCNc1cc(ccn1)C(=O)O 4e4b7c9deac16b60c555713776353002 [0,2,0,0,0,0|1,1,0]=4 908 B13R1.568 CSCNc1cccc(c1)C(=O)C 0497a32994a005a25e41d27f8ca26fd7 [0,2,0,0,0,0|1,1,0]=4 909 B13R1.568 CSCNc1cccc(c1)C(=O)N 037210347ad196a068bbba015105aed5 [0,2,0,0,0,0|1,1,0]=4 910 B13R1.568 CSCNc1cccc(c1)C(=O)O 46982b95274cc0c3551bad7d080f0c53 [0,2,0,0,0,0|0,1,0]=3 911 B13R1.568 CSCNc1cccc(n1)C(=O)O 5318d10f884a67577b595718afca97a8 [0,2,0,0,0,0|1,1,0]=4 912 B13R1.568 CSCNc1ccnc(c1)C(=O)O be0086a99b612301bca7ea22172b5019 [0,2,0,0,0,0|1,1,0]=4 913 B13R1.568 CSCNc1cncc(c1)C(=O)O d7e93cae72b41649138d8a251b7bb97c [0,2,0,0,0,0|1,1,0]=4 914 B13R1.568 CSCOc1cc(ccn1)C(=O)O ca642a4180f080acc0fa39d5106bd62c [0,2,0,0,0,0|1,0,0]=3 915 B13R1.568 CSCOc1cc(ncn1)C(=O)O 5991bd1993cd2328d37920491689c3a2 [0,2,0,0,0,0|2,0,0]=4 916 B13R1.568 CSCOc1cccc(c1)C(=O)C 4dc11d1eed99d1d8ffd7dadb7b5db122 [0,2,0,0,0,0|1,0,0]=3 917 B13R1.568 CSCOc1cccc(c1)C(=O)N cca6b9b1f0e523d9997c09d7ce0ca2a6 [0,2,0,0,0,0|1,0,0]=3 918 B13R1.568 CSCOc1cccc(c1)C(=O)O 82ddda0b4e19862c9f0b6ea1091f883b [0,2,0,0,0,0|0,0,0]=2 919 B13R1.568 CSCOc1cccc(c1)C(=S)N 4cc108f03cd3073640520a2e431e2437 [0,2,0,0,0,0|1,1,0]=4 920 B13R1.568 CSCOc1cccc(c1)[N+](=O)[O-] 43f87fb42dcdff8be907dd8fcc44b3d0 [0,2,0,0,0,0|1,0,1]=4 921 B13R1.568 CSCOc1cccc(n1)C(=O)N a3965163df02bfd2f9643e015fd0bcc2 [0,2,0,0,0,0|2,0,0]=4 922 B13R1.568 CSCOc1cccc(n1)C(=O)O 396b2990d38749b3cda8dd639a5372b0 [0,2,0,0,0,0|1,0,0]=3 923 B13R1.568 CSCOc1ccnc(c1)C(=O)O cb148d5495bf035986e932634da8ea8b [0,2,0,0,0,0|1,0,0]=3 924 B13R1.568 CSCOc1cncc(c1)C(=O)C a7777171048c77ce4c70b1389c123c57 [0,2,0,0,0,0|2,0,0]=4 925 B13R1.568 CSCOc1cncc(c1)C(=O)N f902af49d5fdb16380834cc673708fbc [0,2,0,0,0,0|2,0,0]=4 926 B13R1.568 CSCOc1cncc(c1)C(=O)O d00c0e18f548117bac60ed84081c580e [0,2,0,0,0,0|1,0,0]=3 927 B13R1.568 N#CCNc1cc(ccn1)C(=O)O 89b9e01d2b8207dcd187f8e82a03b4fd [0,2,0,0,0,0|2,0,0]=4 928 B13R1.568 N#CCNc1cccc(c1)C(=O)N 771cc697312ae2407e038b62c267a4a0 [0,2,0,0,0,0|2,0,0]=4 929 B13R1.568 N#CCNc1cccc(c1)C(=O)O 3b6900ab1390397a30508dea2e4fe7f5 [0,2,0,0,0,0|1,0,0]=3 930 B13R1.568 N#CCNc1cccc(n1)C(=O)O d08d4ecb963a72a33df038be380947e6 [0,2,0,0,0,0|2,0,0]=4 931 B13R1.568 N#CCNc1ccnc(c1)C(=O)O e46ebd6cad800ffa1ff49aae3630e1b9 [0,2,0,0,0,0|2,0,0]=4 932 B13R1.568 N#CCNc1cncc(c1)C(=O)O 29309c96b205ca9fc11f5b8f63fbd6c4 [0,2,0,0,0,0|2,0,0]=4 933 B13R1.568 N#CCOc1cc(ccn1)C(=O)O 17b80a7cf08b74e8eabf54c1b622cfd0 [0,2,0,0,0,0|1,0,0]=3 934 B13R1.568 N#CCOc1cc(ncn1)C(=O)O 2e6aa2960d3f3e1963359844a6b0a367 [0,2,0,0,0,0|2,0,0]=4 935 B13R1.568 N#CCOc1cccc(c1)C(=O)N bbc44af851adc7185ccf609cbcb8c68a [0,2,0,0,0,0|1,0,0]=3 936 B13R1.568 N#CCOc1cccc(c1)C(=O)O 85749c0e895f1a81ec88255a6ac4dc94 [0,2,0,0,0,0|0,0,0]=2 937 B13R1.568 N#CCOc1cccc(c1)C(=S)N abd90391c703062519c8a0332c8ead76 [0,2,0,0,0,0|1,1,0]=4 938 B13R1.568 N#CCOc1cccc(c1)[N+](=O)[O-] da94980d5ee0858a18ae5f38335a9304 [0,2,0,0,0,0|1,0,1]=4 939 B13R1.568 N#CCOc1cccc(n1)C(=O)N 8a7e73998729511942cb9de6e7d0c849 [0,2,0,0,0,0|2,0,0]=4 940 B13R1.568 N#CCOc1cccc(n1)C(=O)O 76ae5c5e094072de9075043a9abad562 [0,2,0,0,0,0|1,0,0]=3 941 B13R1.568 N#CCOc1ccnc(c1)C(=O)O 5e5f1062691185dc5423f92d2dad56c2 [0,2,0,0,0,0|1,0,0]=3 942 B13R1.568 N#CCOc1cncc(c1)C(=O)N 8dee57ea5ce81c99286cf7ffc51e1c93 [0,2,0,0,0,0|2,0,0]=4 943 B13R1.568 N#CCOc1cncc(c1)C(=O)O 0874aa702ea6328d30158612482da119 [0,2,0,0,0,0|1,0,0]=3 944 B13R1.568 N#CNCc1cccc(c1)C(=O)O 40f4d44c4bf938d1c64f6d0f9f5bf33c [0,2,0,0,0,0|1,0,1]=4 945 B13R1.568 NC(=O)c1cccc(c1)CNCF a516a92105234e46d5f2d8407ace645d [0,2,0,0,0,0|2,0,0]=4 946 B13R1.568 NC(=O)c1cccc(c1)CNCO fa0a2162082a435d03bf824a321b88ae [0,2,0,0,0,0|2,0,0]=4 947 B13R1.568 NC(=O)c1cccc(c1)COCF 1a45705dc9fdc05959a75a59aa179df7 [0,2,0,0,0,0|1,0,0]=3 948 B13R1.568 NC(=O)c1cccc(c1)NCC=O c500715314c9eedadabc41176dd3284a [0,2,0,0,0,0|2,0,0]=4 949 B13R1.568 NC(=O)c1cccc(c1)NCCBr 501a8708a60db5e556783f012a245af5 [0,2,0,0,0,0|2,0,0]=4 950 B13R1.568 NC(=O)c1cccc(c1)NCCF 55bd8ad5d14589b4a1007df04c57eb81 [0,2,0,0,0,0|2,0,0]=4 951 B13R1.568 NC(=O)c1cccc(c1)NCCO dd7f3b3927b453469e0037e4f5560799 [0,2,0,0,0,0|2,0,0]=4 952 B13R1.568 NC(=O)c1cccc(c1)NCCS 3444147e7c6b1c5e7a2dcf3b66c6abb9 [0,2,0,0,0,0|2,0,0]=4 953 B13R1.568 NC(=O)c1cccc(c1)OCC=O 75a08ff2676bb1e7807201ecc1a643c8 [0,2,0,0,0,0|1,0,0]=3 954 B13R1.568 NC(=O)c1cccc(c1)OCCF 102cd08d837560b784f3476811163dc8 [0,2,0,0,0,0|1,0,0]=3 955 B13R1.568 NC(=O)c1cccc(c1)OCCS 73b836c380b4f597aed21488073838b9 [0,2,0,0,0,0|1,0,0]=3 956 B13R1.568 NC(=O)c1cccc(n1)COCF 4185e291b922b9c32397291b854d5578 [0,2,0,0,0,0|2,0,0]=4 957 B13R1.568 NC(=O)c1cccc(n1)OCC=O f380d08d5740832582ad170a508f31fc [0,2,0,0,0,0|2,0,0]=4 958 B13R1.568 NC(=O)c1cccc(n1)OCCF 5ebdfc426e04c02198aaf1e40855d5da [0,2,0,0,0,0|2,0,0]=4 959 B13R1.568 NC(=O)c1cccc(n1)OCCS e40f594c2261bf6cd64ca147403d4474 [0,2,0,0,0,0|2,0,0]=4 960 B13R1.568 NC(=O)c1cncc(c1)OCC=O 75ee90fe052a47854f982cb4b5492da6 [0,2,0,0,0,0|2,0,0]=4 961 B13R1.568 NC(=O)c1cncc(c1)OCCF 98192c21e414d23bb4d2a6a4dadc87d1 [0,2,0,0,0,0|2,0,0]=4 962 B13R1.568 NC(=O)c1cncc(c1)OCCS f43e6dbf1192a3e910d5d5f057e59dc1 [0,2,0,0,0,0|2,0,0]=4 963 B13R1.568 NC(=S)c1cccc(c1)OCC=O 630cbdecf1a1c483e106fdc6ae313803 [0,2,0,0,0,0|1,1,0]=4 964 B13R1.568 NC(=S)c1cccc(c1)OCCF 742df2207c896340fcf857081b7422a0 [0,2,0,0,0,0|1,1,0]=4 965 B13R1.568 NC(=S)c1cccc(c1)OCCS a2f754afdedb6eb32b331b6348a38521 [0,2,0,0,0,0|1,1,0]=4 966 B13R1.568 O=C(O)c1cc(ccn1)COCF 872db127c5d0e54714df17366bfc55da [0,2,0,0,0,0|1,0,0]=3 967 B13R1.568 O=C(O)c1cc(ccn1)NCCF c422e1eccbdd0e4a1d399979eeafaec2 [0,2,0,0,0,0|2,0,0]=4 968 B13R1.568 O=C(O)c1cc(ccn1)NCCO 75a57f90d74764780920d6dc83bb9bc1 [0,2,0,0,0,0|2,0,0]=4 969 B13R1.568 O=C(O)c1cc(ccn1)NCCS e0c291f04c2979daa1224434c6289e77 [0,2,0,0,0,0|2,0,0]=4 970 B13R1.568 O=C(O)c1cc(ccn1)OCCF 47069fa7d17fe775c8654c97cdbf480f [0,2,0,0,0,0|1,0,0]=3 971 B13R1.568 O=C(O)c1cc(ccn1)OCCS 40382e1033b5caa15f4d9f7e7545b001 [0,2,0,0,0,0|1,0,0]=3 972 B13R1.568 O=C(O)c1cc(ncn1)OCCF 5319ea5c5c959402f3fd4ca836af70ce [0,2,0,0,0,0|2,0,0]=4 973 B13R1.568 O=C(O)c1cc(ncn1)OCCS b0ea51c3fc460a7c1b3084ca41980982 [0,2,0,0,0,0|2,0,0]=4 974 B13R1.568 O=C(O)c1cccc(c1)CNCF f42710847b3793cebe3b9a368c9bdb5b [0,2,0,0,0,0|1,0,0]=3 975 B13R1.568 O=C(O)c1cccc(c1)CNCO 0c60e54a1bd731771713bbd3a628a981 [0,2,0,0,0,0|1,0,0]=3 976 B13R1.568 O=C(O)c1cccc(c1)COCF 8e042994ba413836425cb6e3f782d0d4 [0,2,0,0,0,0|0,0,0]=2 977 B13R1.568 O=C(O)c1cccc(c1)NCCF 8b83b1c5ed5a288feea9feb62e78e41c [0,2,0,0,0,0|1,0,0]=3 978 B13R1.568 O=C(O)c1cccc(c1)NCCO 0f02dfda93b2c3acc74eadbbf44e0cb2 [0,2,0,0,0,0|1,0,0]=3 979 B13R1.568 O=C(O)c1cccc(c1)NCCS 675fe2b9e8bb0ef5ec892abf0e0e6442 [0,2,0,0,0,0|1,0,0]=3 980 B13R1.568 O=C(O)c1cccc(c1)OCCF b444896881e9d0c458165c1bf8979766 [0,2,0,0,0,0|0,0,0]=2 981 B13R1.568 O=C(O)c1cccc(c1)OCCS 1877867b0f0d6277a792f12286115840 [0,2,0,0,0,0|0,0,0]=2 982 B13R1.568 O=C(O)c1cccc(n1)COCF 31091d8b12443a44477149ef3a412856 [0,2,0,0,0,0|1,0,0]=3 983 B13R1.568 O=C(O)c1cccc(n1)NCCBr 39c6476758efa723a5b2465fba2263be [0,2,0,0,0,0|2,0,0]=4 984 B13R1.568 O=C(O)c1cccc(n1)NCCF d9cf84d64f187b7fc6c9b1d7a1d2eb6d [0,2,0,0,0,0|2,0,0]=4 985 B13R1.568 O=C(O)c1cccc(n1)NCCO 65c1e403da61382ae8c170133d09919b [0,2,0,0,0,0|2,0,0]=4 986 B13R1.568 O=C(O)c1cccc(n1)NCCS c7645ad5f29d2abf7024b90ca672bf2d [0,2,0,0,0,0|2,0,0]=4 987 B13R1.568 O=C(O)c1cccc(n1)OCCF 8df7e2d7d0ce9744c0b6122e4d140f71 [0,2,0,0,0,0|1,0,0]=3 988 B13R1.568 O=C(O)c1cccc(n1)OCCS d8897a976562f0c6d49cfab2436a791a [0,2,0,0,0,0|1,0,0]=3 989 B13R1.568 O=C(O)c1ccnc(c1)COCF e92f8e0eb8a7d98b9d128c3b81f0abe8 [0,2,0,0,0,0|1,0,0]=3 990 B13R1.568 O=C(O)c1ccnc(c1)NCCF 7e7ccaaa1af09b18e4f66cdfb3adfd56 [0,2,0,0,0,0|2,0,0]=4 991 B13R1.568 O=C(O)c1ccnc(c1)NCCO 7027abc6338acf8eb38a94a67ab4020c [0,2,0,0,0,0|2,0,0]=4 992 B13R1.568 O=C(O)c1ccnc(c1)NCCS 7c7c80e5eea63b6263caa44a4e332ab4 [0,2,0,0,0,0|2,0,0]=4 993 B13R1.568 O=C(O)c1ccnc(c1)OCCF cff7e3ab023584015d743313fb38ffe1 [0,2,0,0,0,0|1,0,0]=3 994 B13R1.568 O=C(O)c1ccnc(c1)OCCS ea3d91be474788647abbc99f1c930b23 [0,2,0,0,0,0|1,0,0]=3 995 B13R1.568 O=C(O)c1cncc(c1)COCF b0f3794c2f86c81670d797b3a440dbd6 [0,2,0,0,0,0|1,0,0]=3 996 B13R1.568 O=C(O)c1cncc(c1)NCCF 8bc82a3238667e91bdf119e591389530 [0,2,0,0,0,0|2,0,0]=4 997 B13R1.568 O=C(O)c1cncc(c1)NCCO 170613e34c6270d47f7d61a55b525d70 [0,2,0,0,0,0|2,0,0]=4 998 B13R1.568 O=C(O)c1cncc(c1)NCCS f7f88ad3de7065751c6eed297e8014ce [0,2,0,0,0,0|2,0,0]=4 999 B13R1.568 O=C(O)c1cncc(c1)OCCF babb401826ae44e519e5ebdc2ec82c06 [0,2,0,0,0,0|1,0,0]=3 1000 B13R1.568 O=C(O)c1cncc(c1)OCCS 8baf741afd2e3f2e698166ee3de94212 [0,2,0,0,0,0|1,0,0]=3 1001 B13R1.568 O=CCNc1cc(ccn1)C(=O)O aea85abd0709f75e5b04068d8f954b61 [0,2,0,0,0,0|2,0,0]=4 1002 B13R1.568 O=CCNc1cccc(c1)C(=O)O c6276c8cebeeecd92835ae003ddb9779 [0,2,0,0,0,0|1,0,0]=3 1003 B13R1.568 O=CCNc1cccc(n1)C(=O)O 442a3f7a7af3b85bcab5a64bce9c3690 [0,2,0,0,0,0|2,0,0]=4 1004 B13R1.568 O=CCNc1ccnc(c1)C(=O)O 807b89cecd1c6cb0335cabd0d98d976f [0,2,0,0,0,0|2,0,0]=4 1005 B13R1.568 O=CCNc1cncc(c1)C(=O)O 7d8fea3d684189abba858aa6fc9fb49f [0,2,0,0,0,0|2,0,0]=4 1006 B13R1.568 O=CCOc1cc(ccn1)C(=O)O f8124541c10c6710c7e4e1b7ac69c955 [0,2,0,0,0,0|1,0,0]=3 1007 B13R1.568 O=CCOc1cc(ncn1)C(=O)O 409012956924b11d5c90ad28cba9683a [0,2,0,0,0,0|2,0,0]=4 1008 B13R1.568 O=CCOc1cccc(c1)C(=O)O 6855fd15eb570b3d979de59d362e7eb3 [0,2,0,0,0,0|0,0,0]=2 1009 B13R1.568 O=CCOc1cccc(c1)[N+](=O)[O-] 24627a6eb02073adb764856b393e89b9 [0,2,0,0,0,0|1,0,1]=4 1010 B13R1.568 O=CCOc1cccc(n1)C(=O)O 6b8fa17b1707f74da3a4c1a1f47b29e2 [0,2,0,0,0,0|1,0,0]=3 1011 B13R1.568 O=CCOc1ccnc(c1)C(=O)O da17c087928e0c7b61ea130dc6c8feba [0,2,0,0,0,0|1,0,0]=3 1012 B13R1.568 O=CCOc1cncc(c1)C(=O)O 7e9fd6a81292a76bfd537fd3ce0f62a1 [0,2,0,0,0,0|1,0,0]=3 1013 B13R1.568 O=[N+]([O-])c1cccc(c1)COCF da0f1e4c628733b018390cc0ea5207f2 [0,2,0,0,0,0|1,0,1]=4 1014 B13R1.568 O=[N+]([O-])c1cccc(c1)OCCF 243741adc090b84ccc9ec7f8aaea8ab4 [0,2,0,0,0,0|1,0,1]=4 1015 B13R1.568 O=[N+]([O-])c1cccc(c1)OCCS 488c920b3b15ab1ed424e2e88fa23178 [0,2,0,0,0,0|1,0,1]=4 1016 B13R1.460 CCOC(C)c1cccc(c1)OC 5f435eaa490872d69152dfe1b3d88d70 [0,2,0,0,0,0|1,0,1]=4 1017 B13R1.460 CCO[C@@H](C)c1cccc(c1)OC a77f9af8623b58e0d11453cd764978c2 [0,2,0,0,0,0|1,0,1]=4 1018 B13R1.460 CCO[C@H](C)c1cccc(c1)OC 43a21b76789c8200e8436f653d4465c5 [0,2,0,0,0,0|1,0,1]=4 1019 B13R1.460 CCc1cccc(c1)C(=O)NC#N c182e1cd26f9f01ed101a53bcae23e42 [0,2,0,0,0,0|2,0,0]=4 1020 B13R1.460 COCN(C)c1cccc(c1)OC 5f1f3406293c28d67d3194052bf0bf0c [0,2,0,0,0,0|2,0,0]=4 1021 B13R1.460 COc1cc(ccn1)C(=O)NC#N ba031141341f7856c92f9a9a48d42c92 [0,2,0,0,0,0|2,0,0]=4 1022 B13R1.460 COc1cccc(c1)C(=O)NC#N 834bb7b4b910b45adcc7294e735f3632 [0,2,0,0,0,0|1,0,0]=3 1023 B13R1.460 COc1cccc(c1)C(C)NC=O 2c8ed30edf6d7492ead151f15c336057 [0,2,0,0,0,0|1,0,1]=4 1024 B13R1.460 COc1cccc(c1)C(C)NCO 8a6c20afd915f01543da671b68ed6126 [0,2,0,0,0,0|1,0,1]=4 1025 B13R1.460 COc1cccc(c1)C(C)OCF d0a4d6c02269c310829bd767bab4eddf [0,2,0,0,0,0|1,0,1]=4 1026 B13R1.460 COc1cccc(c1)N(C)CC=O e4893538b3200f51954090a2c45997a0 [0,2,0,0,0,0|2,0,0]=4 1027 B13R1.460 COc1cccc(c1)N(C)CCO cd58754b915cd494c933146eef7d91a3 [0,2,0,0,0,0|2,0,0]=4 1028 B13R1.460 COc1cccc(c1)[C@@H](C)NC=O 39c7c1d9ac41cda7a31ab6b7110a13e7 [0,2,0,0,0,0|1,0,1]=4 1029 B13R1.460 COc1cccc(c1)[C@@H](C)NCO 4ea6af510dad4402d52280433c470021 [0,2,0,0,0,0|1,0,1]=4 1030 B13R1.460 COc1cccc(c1)[C@@H](C)OCF 0ca5221fb2e904ee36c130411da7614d [0,2,0,0,0,0|1,0,1]=4 1031 B13R1.460 COc1cccc(c1)[C@H](C)NC=O 1984d1bd86643883bcf206e9d55ab74d [0,2,0,0,0,0|1,0,1]=4 1032 B13R1.460 COc1cccc(c1)[C@H](C)NCO b5344f74fd7bd50a1c2db51e87695b5a [0,2,0,0,0,0|1,0,1]=4 1033 B13R1.460 COc1cccc(c1)[C@H](C)OCF 112bcf799de8176d771b90c5165193eb [0,2,0,0,0,0|1,0,1]=4 1034 B13R1.460 COc1cccc(n1)C(=O)NC#N 83c7f2f45afdfd5026bd84c6759916b4 [0,2,0,0,0,0|2,0,0]=4 1035 B13R1.460 COc1ccnc(c1)C(=O)NC#N 297f07a29f36ab2d70baf6cec85b1697 [0,2,0,0,0,0|2,0,0]=4 1036 B13R1.460 COc1cncc(c1)C(=O)NC#N bf954738ebfb4148a6ee9d4a1b8b6a91 [0,2,0,0,0,0|2,0,0]=4 1037 B13R1.460 CSc1cccc(c1)C(=O)NC#N 977056c58f2ba2a32bb1aff9294d62ea [0,2,0,0,0,0|1,1,0]=4 1038 B13R1.646 CCN(C=O)c1cccc(c1)OC 503b22083f556bb002f04f1f4c2b918d [0,2,0,0,0,0|2,0,0]=4 1039 B13R1.646 CCN(CO)c1cccc(c1)OC f550e69f36b06abbcce70c8e5e72ebd1 [0,2,0,0,0,0|2,0,0]=4 1040 B13R1.2431 COc1ccc(c(c1)N(C)C=O)Br 1a4c5ba88b085ea53dd56e614ebfcf68 [0,2,0,0,0,0|2,0,0]=4 1041 B13R1.2431 COc1ccc(c(c1)N(C)CO)Br 352244a8f4104d7649f89819a9fdff53 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.17 COCOc1cccoc1=O 1079ae5c00fed507763972415feaa54b [0,0,1,1,0,0|1,0,1]=4 1043 B11R0.90 C=C(CO/C(=C\C)/C(=O)O)OC 0445d550bfd7412c63b599b13613f27d [0,0,1,0,0,1|0,0,2]=4 1044 B11R0.90 C=CC(NCC(=C)OC)C(=O)O e3392ffe1cccf3882d4af5d66e76c1d8 [0,0,1,0,0,1|0,0,2]=4 1045 B11R0.90 C=C[C@H](NCC(=C)OC)C(=O)O 001812e500178f5df9dd6b49ca8ed32a [0,0,1,0,0,1|0,0,2]=4 1046 B11R0.111 C=C(CNC/C=C/C(=O)O)OC 2eae2d70b604d62a888832ab65a96c19 [0,0,1,0,0,1|0,0,2]=4 1047 B11R0.111 C=C(CNCC=CC(=O)O)OC c47bab1a42935b3f096028cbcf3b0217 [0,0,1,0,0,1|0,0,2]=4 1048 B11R0.111 C=C(COC/C=C/C(=O)O)OC fd23b1812846942db0bc513113c1e0b2 [0,0,1,0,0,1|0,0,2]=4 1049 B11R0.111 C=C(COCC=CC(=O)O)OC 708b502c35eb353afa57134dc87e9d33 [0,0,1,0,0,1|0,0,2]=4 1050 B11R1.157 CC(=O)Nc1cc(ccn1)C 11bb75cefcc8e0053d4aa87066be916d [1,0,0,0,0,1|2,0,0]=4 1051 B11R1.157 CC(=O)Nc1cc(ccn1)O a3610b7684ca29dc38fcb0bb43d220bb [1,0,0,0,0,1|2,0,0]=4 1052 B11R1.157 CC(=O)Nc1cccc(c1)C 9a7c9b465401dd095659742e6c3e194a [1,0,0,0,0,1|1,0,0]=3 1053 B11R1.157 CC(=O)Nc1cccc(c1)Cl a4a6d31d02767cbd28a554abdc9d7f9c [1,0,0,0,0,1|2,0,0]=4 1054 B11R1.157 CC(=O)Nc1cccc(c1)F c6f0d045fd7da349c2147d19a6b5c925 [1,0,0,0,0,1|2,0,0]=4 1055 B11R1.157 CC(=O)Nc1cccc(c1)I 6985e662c065e5f04703904aecec87c5 [1,0,0,0,0,1|2,0,0]=4 1056 B11R1.157 CC(=O)Nc1cccc(c1)O 83fd7000bcb1a1edfb73e9c940896bf1 [1,0,0,0,0,1|1,0,0]=3 1057 B11R1.157 CC(=O)Nc1cccc(c1)S c491dfa7e666418d0885014c41e759e8 [1,0,0,0,0,1|1,1,0]=4 1058 B11R1.157 CC(=O)Nc1cccc(n1)C 01436216495e07ab1a016d090bd0354d [1,0,0,0,0,1|2,0,0]=4 1059 B11R1.157 CC(=O)Nc1cccc(n1)O 5ecee8ed76a0d083278d7db13fb46dc5 [1,0,0,0,0,1|2,0,0]=4 1060 B11R1.157 CC(=O)Nc1ccnc(c1)C 1f0a21b873e7ca6abbe56d850131c0d5 [1,0,0,0,0,1|2,0,0]=4 1061 B11R1.157 CC(=O)Nc1ccnc(c1)O adfd8450de9344956743fa1a05f9a0cc [1,0,0,0,0,1|2,0,0]=4 1062 B11R1.157 CC(=O)Nc1cncc(c1)C 4291afcbdd0cbcaf1adc4172123ca697 [1,0,0,0,0,1|2,0,0]=4 1063 B11R1.157 CC(=O)Nc1cncc(c1)O df72e33984e978f8a94153b22b3fc5c6 [1,0,0,0,0,1|2,0,0]=4 1064 B13R1.643 C#Cc1cccc(c1)NCC(=O)O 88e4dd8ebe94d9ca91ef28906b71fc06 [0,0,0,0,0,2|1,0,1]=4 1065 B13R1.643 C#Cc1cccc(c1)OCC(=O)O c521b2f1c80d217ad15d753f11718aa9 [0,0,0,0,0,2|1,0,1]=4 1066 B13R1.643 C=C(Br)CNc1cccc(c1)OC 46da4b4c2c6b6301121a6d82616b78b0 [0,0,0,0,0,2|2,0,0]=4 1067 B13R1.643 C=C(Br)COc1cccc(c1)OC 72ccaa828b1245942231bc7efc8ca538 [0,0,0,0,0,2|2,0,0]=4 1068 B13R1.643 C=C(C)CNc1cccc(c1)OC 837c9b7aaf50015108ad9c4a00442b12 [0,0,0,0,0,2|2,0,0]=4 1069 B13R1.643 C=C(C)COc1cccc(c1)OC 53d666f8c4c60572f8e9538eb96aa945 [0,0,0,0,0,2|2,0,0]=4 1070 B13R1.643 C=C(Cl)CNc1cccc(c1)OC 79b2c7f869fe13e9ea0dd01e306326e3 [0,0,0,0,0,2|2,0,0]=4 1071 B13R1.643 C=C(Cl)COc1cccc(c1)OC 346b50b882f88c5a064c78dcfc40a3b4 [0,0,0,0,0,2|2,0,0]=4 1072 B13R1.643 C=C(F)CNc1cccc(c1)OC bfc81478c344139621e0077d2b7ac690 [0,0,0,0,0,2|2,0,0]=4 1073 B13R1.643 C=C(F)COc1cccc(c1)OC a40ee52d5246320b5c0db37a9330a902 [0,0,0,0,0,2|2,0,0]=4 1074 B13R1.643 C=Cc1cccc(c1)NCC(=O)O 0d81a9cf66fb4bae4c06fda9bdb314ad [0,0,0,0,0,2|1,0,1]=4 1075 B13R1.643 C=Cc1cccc(c1)OCC(=O)O bee9ada33fd13ba853cf74d4af8c20d8 [0,0,0,0,0,2|1,0,1]=4 1076 B13R1.643 CC(=O)CNc1cccc(c1)ON f8f170edcabde948ad511e59471a92bc [0,0,0,0,0,2|2,0,0]=4 1077 B13R1.643 CCc1cc(ccn1)NCC(=O)O a3efbceb12bb3fc21d52d20358a902b7 [0,0,0,0,0,2|2,0,0]=4 1078 B13R1.643 CCc1cccc(c1)CNC(=O)C c72a595fdb746d8505336a135205b028 [0,0,0,0,0,2|2,0,0]=4 1079 B13R1.643 CCc1cccc(c1)NCC(=O)C f3502c95c364a5bcb65d13afecf281c0 [0,0,0,0,0,2|2,0,0]=4 1080 B13R1.643 CCc1cccc(c1)NCC(=O)N dbc3f8be89bcc25354a0864ae066310d [0,0,0,0,0,2|2,0,0]=4 1081 B13R1.643 CCc1cccc(c1)NCC(=O)O 48739b8c9fa66e72cc02bfb80dab5fc7 [0,0,0,0,0,2|1,0,0]=3 1082 B13R1.643 CCc1cccc(c1)OCC(=O)N 445571375995aafdf7d5e9dd59506438 [0,0,0,0,0,2|2,0,0]=4 1083 B13R1.643 CCc1cccc(c1)OCC(=O)O 1d5b093d5dc8854f3b199795d373e5a5 [0,0,0,0,0,2|1,0,0]=3 1084 B13R1.643 CCc1cccc(n1)NCC(=O)O 76ab1452ae76dc2e792b2d0296fb0bb3 [0,0,0,0,0,2|2,0,0]=4 1085 B13R1.643 CCc1ccnc(c1)NCC(=O)O 8bffff6e3eb783ee05ad83828a184b0d [0,0,0,0,0,2|2,0,0]=4 1086 B13R1.643 CCc1cncc(c1)NCC(=O)O a19205ec5b37d9f3541823e29d2c25cc [0,0,0,0,0,2|2,0,0]=4 1087 B13R1.643 CCc1cncc(c1)OCC(=O)O 1b79ef49ddb00c568e4b1df8e9c8455b [0,0,0,0,0,2|2,0,0]=4 1088 B13R1.643 COc1cc(ccn1)CNC(=O)C a5f77cabaeed2abf3519899ffff08667 [0,0,0,0,0,2|2,0,0]=4 1089 B13R1.643 COc1cc(ccn1)NCC(=O)C 7bec3676f12378e2ed86e41331dd705a [0,0,0,0,0,2|2,0,0]=4 1090 B13R1.643 COc1cc(ccn1)NCC(=O)N 3376620d6d4d85107843ece0b24d64ca [0,0,0,0,0,2|2,0,0]=4 1091 B13R1.643 COc1cc(ccn1)NCC(=O)O fd1d52ca19898f9537a47abfa94b851e [0,0,0,0,0,2|1,0,0]=3 1092 B13R1.643 COc1cc(ccn1)OCC(=O)N eab44dd716c003400a962cd6ba5b9adf [0,0,0,0,0,2|2,0,0]=4 1093 B13R1.643 COc1cc(ccn1)OCC(=O)O e8cb9dbd79cc8634b04df5702192407b [0,0,0,0,0,2|1,0,0]=3 1094 B13R1.643 COc1cc(cnn1)NCC(=O)O a942d5a456d415b630d1adaf71929641 [0,0,0,0,0,2|2,0,0]=4 1095 B13R1.643 COc1cc(ncn1)NCC(=O)O d12f78411435a24229f12df9d4945700 [0,0,0,0,0,2|2,0,0]=4 1096 B13R1.643 COc1cc(ncn1)OCC(=O)O 966d7300b2ae9584ca7809b4eb8eb008 [0,0,0,0,0,2|2,0,0]=4 1097 B13R1.643 COc1cccc(c1)CNC(=O)C 49c02028c7cc93eec0032e72e48e8d6d [0,0,0,0,0,2|1,0,0]=3 1098 B13R1.643 COc1cccc(c1)NCC(=O)C 7b28a441642ba8efd6f060683229f7c9 [0,0,0,0,0,2|1,0,0]=3 1099 B13R1.643 COc1cccc(c1)NCC(=O)N 0f7cbc34fc85140b53f0dd1d542f0b84 [0,0,0,0,0,2|1,0,0]=3 1100 B13R1.643 COc1cccc(c1)NCC(=O)O b97e5ee601c99096f192f1e48d6b06dd [0,0,0,0,0,2|0,0,0]=2 1101 B13R1.643 COc1cccc(c1)NCC(C)O f0eae12216b1fcb898cdba76172f3121 [0,0,0,0,0,2|1,0,1]=4 1102 B13R1.643 COc1cccc(c1)NC[C@@H](C)O b42a93485a74a89300e709e3383ed8d3 [0,0,0,0,0,2|1,0,1]=4 1103 B13R1.643 COc1cccc(c1)NC[C@H](C)O 0f51f7d42734fce3c7daf292ba855c39 [0,0,0,0,0,2|1,0,1]=4 1104 B13R1.643 COc1cccc(c1)NC[N+](=O)[O-] cab97de9fe71272c54706d8f0c8d8e93 [0,0,0,0,0,2|1,0,1]=4 1105 B13R1.643 COc1cccc(c1)OCC(=O)N 854ed77d21ada537043416d4b47caf65 [0,0,0,0,0,2|1,0,0]=3 1106 B13R1.643 COc1cccc(c1)OCC(=O)O 3ee67fb5cb317f9c8418ee3076770fb3 [0,0,0,0,0,2|0,0,0]=2 1107 B13R1.643 COc1cccc(c1)OC[N+](=O)[O-] 22a18e17498ce02960e3e8ebb6406a03 [0,0,0,0,0,2|1,0,1]=4 1108 B13R1.643 COc1cccc(n1)CNC(=O)C 35a97abe5f7a545355c498786a280f01 [0,0,0,0,0,2|2,0,0]=4 1109 B13R1.643 COc1cccc(n1)NCC(=O)N e10e436296a567a2d5dd0bfd0f544bbc [0,0,0,0,0,2|2,0,0]=4 1110 B13R1.643 COc1cccc(n1)NCC(=O)O 85fdaab48ab777b4215820361ec2c1fe [0,0,0,0,0,2|1,0,0]=3 1111 B13R1.643 COc1ccnc(c1)CNC(=O)C 9a8bb1781bc1039151f5b45de6c8465b [0,0,0,0,0,2|2,0,0]=4 1112 B13R1.643 COc1ccnc(c1)NCC(=O)C a161010cfd30fb85252ada26ed9f3c47 [0,0,0,0,0,2|2,0,0]=4 1113 B13R1.643 COc1ccnc(c1)NCC(=O)N 8a7b67021327e6e0adfc295fca08239f [0,0,0,0,0,2|2,0,0]=4 1114 B13R1.643 COc1ccnc(c1)NCC(=O)O 7e74336c5abad0f8505503cc18beef42 [0,0,0,0,0,2|1,0,0]=3 1115 B13R1.643 COc1ccnc(c1)OCC(=O)N ab0d5b79b2d04d50f20e2e5e53db0013 [0,0,0,0,0,2|2,0,0]=4 1116 B13R1.643 COc1ccnc(c1)OCC(=O)O 4d2c2708cf8e1010075f4392f1fece7e [0,0,0,0,0,2|1,0,0]=3 1117 B13R1.643 COc1ccnc(n1)NCC(=O)O bd621bdce87486772ee944eb7a538896 [0,0,0,0,0,2|2,0,0]=4 1118 B13R1.643 COc1cncc(c1)CNC(=O)C 818263724c7c3de99dcd19be8820317f [0,0,0,0,0,2|2,0,0]=4 1119 B13R1.643 COc1cncc(c1)NCC(=O)N fe335b410fe5435e56f16fdfcb31cae2 [0,0,0,0,0,2|2,0,0]=4 1120 B13R1.643 COc1cncc(c1)NCC(=O)O 025eebe6d7b9aa7ef5a04de196560843 [0,0,0,0,0,2|1,0,0]=3 1121 B13R1.643 COc1cncc(c1)OCC(=O)N 53ac99940a0e674bb5d5f2b21ae65f11 [0,0,0,0,0,2|2,0,0]=4 1122 B13R1.643 COc1cncc(c1)OCC(=O)O 069a7b021c0ecf779a4bc9ba80db136c [0,0,0,0,0,2|1,0,0]=3 1123 B13R1.643 COc1cncc(n1)NCC(=O)O 474f2c03870b0978914b247b308a293c [0,0,0,0,0,2|2,0,0]=4 1124 B13R1.643 COc1cnnc(c1)NCC(=O)O fc4983382b55eda38a7c0010e02a287b [0,0,0,0,0,2|2,0,0]=4 1125 B13R1.643 COc1nccc(n1)NCC(=O)O ca0f9b4a4021de3f863ca05a616bad3b [0,0,0,0,0,2|2,0,0]=4 1126 B13R1.643 COc1nccc(n1)OCC(=O)O 10d27eefc9318960e22f0c4d5cbd82a6 [0,0,0,0,0,2|2,0,0]=4 1127 B13R1.643 CSc1cc(ccn1)NCC(=O)O eff1b22fb1fee4086e20206e23831819 [0,0,0,0,0,2|1,1,0]=4 1128 B13R1.643 CSc1cc(ccn1)OCC(=O)O 10f279d791132f3ae505d73bc12ec830 [0,0,0,0,0,2|1,1,0]=4 1129 B13R1.643 CSc1cccc(c1)CNC(=O)C 2534293f80857f2ee108ebae04dabb05 [0,0,0,0,0,2|1,1,0]=4 1130 B13R1.643 CSc1cccc(c1)NCC(=O)C 47f81b6a16f07b980a9b0e675396709b [0,0,0,0,0,2|1,1,0]=4 1131 B13R1.643 CSc1cccc(c1)NCC(=O)N ffd0f58132f82cb62469a575b1c3ff37 [0,0,0,0,0,2|1,1,0]=4 1132 B13R1.643 CSc1cccc(c1)NCC(=O)O 9ce014bdf6b917e4525ed8c5c7364a94 [0,0,0,0,0,2|0,1,0]=3 1133 B13R1.643 CSc1cccc(c1)OCC(=O)N 7de44f0686bcd5a2266d0600e1836af1 [0,0,0,0,0,2|1,1,0]=4 1134 B13R1.643 CSc1cccc(c1)OCC(=O)O 5bc7eb42cb334cafc2b65ea7238f24cc [0,0,0,0,0,2|0,1,0]=3 1135 B13R1.643 CSc1cccc(n1)NCC(=O)O 558e1eab521fa05047789a30f8192478 [0,0,0,0,0,2|1,1,0]=4 1136 B13R1.643 CSc1cncc(c1)OCC(=O)O 9c8ed225b69e3fb066dd974fb07ed627 [0,0,0,0,0,2|1,1,0]=4 1137 B13R1.643 N#Cc1cccc(c1)NCC(=O)O 32551c184d41a83bf5c4184090fc20a6 [0,0,0,0,0,2|2,0,0]=4 1138 B13R1.643 N#Cc1cccc(c1)OCC(=O)O c434bf206db5017b3689f7f1d3f75030 [0,0,0,0,0,2|2,0,0]=4 1139 B13R1.643 NOc1cccc(c1)NCC(=O)N 11782a1143aaf9bfde9381280c361ca2 [0,0,0,0,0,2|2,0,0]=4 1140 B13R1.643 O=C(O)CNc1cccc(c1)CBr 42d4b62889682d5fc0e61426f825c1e9 [0,0,0,0,0,2|2,0,0]=4 1141 B13R1.643 O=C(O)CNc1cccc(c1)CF 71db501d1949b8f6cf3cd14df9a93136 [0,0,0,0,0,2|2,0,0]=4 1142 B13R1.643 O=C(O)CNc1cccc(c1)CO 8dc3639852f592e213f34e7831623fae [0,0,0,0,0,2|2,0,0]=4 1143 B13R1.643 O=Cc1cccc(c1)OCC(=O)O aff68aa1f097e830212887c1ec94d0af [0,0,0,0,0,2|2,0,0]=4