0 B11R1.35 C=C(C)C(=O)Nc1ccsc1 366abace05079239192443f504356505 [0,0,1,0,0,0|3,0,0]=4 1 B11R1.35 C=C(F)C(=O)Nc1ccsc1 ed13415964f84bdc985e16afedc081cf [0,0,1,0,0,0|3,0,0]=4 2 B11R1.35 CC(=O)C(=O)Nc1cccs1 de6d70e3306c47e09cb36ff931517690 [0,0,1,0,0,0|3,0,0]=4 3 B11R1.35 CC(=O)C(=O)Nc1ccsc1 3c7f2990328604f440dd607117739671 [0,0,1,0,0,0|2,0,0]=3 4 B11R1.35 CC(=O)C(=O)Nc1cnsc1 a3cdc7ac32a7347c5cd9b0caf41b3e45 [0,0,1,0,0,0|3,0,0]=4 5 B11R1.35 CC(=O)C(=O)Nc1cscn1 4e42f05428f03685d53c5526680f96bb [0,0,1,0,0,0|3,0,0]=4 6 B11R1.35 CC(=O)C(C)Nc1ccsc1 3010a87c915c5c10728807c0e157d725 [0,0,1,0,0,0|1,0,2]=4 7 B11R1.35 CC(Nc1ccsc1)C(=O)N a4ac1236d586397eca0bd5cf799e902c [0,0,1,0,0,0|1,0,2]=4 8 B11R1.35 CC(O)C(=O)Nc1ccsc1 db71e68ce42a93f998d53fce3bcacd2b [0,0,1,0,0,0|2,0,1]=4 9 B11R1.35 C[C@@H](Nc1ccsc1)C(=O)N bc2f0f9ee83d5f453cba4464251b6a93 [0,0,1,0,0,0|1,0,2]=4 10 B11R1.35 C[C@@H](O)C(=O)Nc1ccsc1 28ce7468f30eebf55d7dac8f9082b147 [0,0,1,0,0,0|2,0,1]=4 11 B11R1.35 C[C@H](Nc1ccsc1)C(=O)N dbdf4a22e2841494f86bd79f8f80a0a7 [0,0,1,0,0,0|1,0,2]=4 12 B11R1.35 C[C@H](O)C(=O)Nc1ccsc1 7b8c131c2176927a549c19e48e1bc6a4 [0,0,1,0,0,0|2,0,1]=4 13 B11R1.35 NC(=O)C(=O)Nc1cccs1 72b6ef1a1af89f4360ae7c93e1daa326 [0,0,1,0,0,0|3,0,0]=4 14 B11R1.35 NC(=O)C(=O)Nc1cnsc1 f6396ee4c096d1ccf92cecd32881a29c [0,0,1,0,0,0|3,0,0]=4 15 B11R1.35 NC(=O)C(=O)Nc1cscn1 22a6797a9a285e0b7f691604071b620c [0,0,1,0,0,0|3,0,0]=4 16 B11R1.35 NC(=O)C(F)Nc1ccsc1 4a8cb48eda93231395aa4d05c0e27bac [0,0,1,0,0,0|2,0,1]=4 17 B11R1.35 O=C(Nc1ccsc1)C(O)O 00e9b465bb32d0e9d8e7fe2577697343 [0,0,1,0,0,0|1,0,2]=4 18 B11R1.90 CC(=O)CNc1ccsc1C 244278801049733366bb8df4b478950c [0,0,1,0,0,0|1,0,2]=4 19 B11R1.90 Cc1sccc1NCC(=O)N 9d9f81c710679db8187ac8418c37a08b [0,0,1,0,0,0|1,0,2]=4 20 B11R1.90 Cc1sccc1NCC(=O)O 1fa638d96901099aa3bbfba5f1bed4d0 [0,0,1,0,0,0|0,0,2]=3 21 B11R1.124 CCNc1c[nH]c(c1)C(=O)O dccfae20b3cc76cce5c611da31db3fc8 [0,0,1,0,0,0|1,0,2]=4 22 B11R1.124 CCNc1ccc([nH]1)C(=O)O 55f95bc72ed8cf0b7c8cfe58e1f7692e [0,0,1,0,0,0|2,0,1]=4 23 B11R1.124 O=C(O)c1cc(c[nH]1)NCF fe113b671133802a0380563834c5431f [0,0,1,0,0,0|2,0,1]=4 24 B11R1.124 O=C(O)c1cc(c[nH]1)NCO 341b8ac1125f3f15bbde278492067a47 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.124 O=C(O)c1ccc([nH]1)NCF 2abd77650feae958a898ee1db3c214ce [0,0,1,0,0,0|2,0,1]=4 26 B11R1.124 O=C(O)c1ccc([nH]1)NCO 1db329be575638887febdf86863cb671 [0,0,1,0,0,0|1,1,1]=4 27 B10R1.27 C=CC(=O)Nc1ccsc1 85b037a2fd68a1ba6ca564da81c59578 [1,0,1,0,0,0|2,0,0]=4 28 B10R1.27 CC(C=O)Nc1ccsc1 8ad8a011ef1d254fa19262ae1d5d744e [1,0,1,0,0,0|0,0,2]=4 29 B10R1.27 C[C@H](C=O)Nc1ccsc1 9a4f5a5b0b2c4ceab93bf06ffdf5123d [1,0,1,0,0,0|0,0,2]=4 30 B10R1.27 O=C(CO)Nc1ccsc1 8b669f4333e0344ec74ab87bffb31285 [1,0,1,0,0,0|1,0,1]=4 31 B10R1.27 O=CC(=O)Nc1cccs1 131968a6bb1c313ed1c4ad145b0c87f0 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.27 O=CC(=O)Nc1ccsc1 47b93929722efd298d1fc95f1c4abc54 [1,0,1,0,0,0|1,0,0]=3 33 B10R1.27 O=CC(=O)Nc1cnsc1 8becbb82e8a8054bc2e16f8d43311b83 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.27 O=CC(=O)Nc1cscn1 bebe5a412238edd694943fa3fab21dd8 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.66 CC(=O)CNc1ccsc1 264cfd5bd6905699df6036299a4d94ea [1,0,1,0,0,0|1,0,1]=4 36 B10R1.66 NC(=O)CNc1ccsc1 5cd29110a17785039639f3a93348a900 [1,0,1,0,0,0|1,0,1]=4 37 B10R1.66 O=C(O)CNc1cccs1 4058449a8cebe920b6e952aa38581266 [1,0,1,0,0,0|1,0,1]=4 38 B10R1.66 O=C(O)CNc1ccsc1 c844ee29c143c2527480ec93d2f5fc5f [1,0,1,0,0,0|0,0,1]=3 39 B10R1.66 O=C(O)CNc1cnsc1 55a2c7fd1ec5becc8fcb8e946a372e7a [1,0,1,0,0,0|1,0,1]=4 40 B10R1.66 O=C(O)CNc1cscn1 6412361c6df5c58a950b702f8eef61ac [1,0,1,0,0,0|1,0,1]=4 41 B10R1.66 O=C(O)COc1cccs1 21851641d4378df5c5d5c2979c3c711b [1,0,1,0,0,0|1,0,1]=4 42 B10R1.66 O=C(O)COc1ccsc1 aa5433da28ee2912bef48e37dea2acb0 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.29 Cc1sccc1NCC=O 9d392146487d494deb95ca55665124b1 [1,0,1,0,0,0|0,0,2]=4 44 B12R1.108 C/C=C(\O)/C(=O)Nc1ccsc1 5fd06ee089252e6eadee099c67f99d44 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.108 C=C(CO)C(=O)Nc1ccsc1 d5002c19848ffd3263d873cd138c4f06 [0,1,1,0,0,0|2,0,0]=4 46 B12R1.108 C=CC(=O)C(=O)Nc1ccsc1 ab26be2592cc1b944e507ce3468a0ace [0,1,1,0,0,0|2,0,0]=4 47 B12R1.108 CCC(=O)C(=O)Nc1ccsc1 67c91fbbc8ebb8cd1865801d0460d298 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.108 CNC(=O)C(=O)Nc1ccsc1 1bd837104d8eb0e13673bc68ca3a41fb [0,1,1,0,0,0|2,0,0]=4 49 B12R1.108 COC(=O)C(=O)Nc1cccs1 5c5f25afbfe25c0df2488195fa285356 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.108 COC(=O)C(=O)Nc1ccsc1 dbd9f8a8379596aedc21a9cf71ebef9c [0,1,1,0,0,0|1,0,0]=3 51 B12R1.108 COC(=O)C(=O)Nc1cnsc1 8d5a39802816e38d3346809b8d1334bc [0,1,1,0,0,0|2,0,0]=4 52 B12R1.108 COC(=O)C(=O)Nc1cscn1 ac1ee636369a27a29d9e1fdba51c98a8 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.108 COC(=O)C(C)Nc1ccsc1 c6769e0682cfd02edafcfab585b7c67c [0,1,1,0,0,0|0,0,2]=4 54 B12R1.108 COC(=O)[C@@H](C)Nc1ccsc1 35f502c1fdf90dba0b4dff82dbafa98d [0,1,1,0,0,0|0,0,2]=4 55 B12R1.108 COC(=O)[C@H](C)Nc1ccsc1 59da8acc06e127ba3be345b6dd923d9a [0,1,1,0,0,0|0,0,2]=4 56 B12R1.120 CC(=O)C(=O)N(C)c1ccsc1 8561253a45bca3ed222318d29908b1a7 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.120 CN(C(=O)C(=O)N)c1ccsc1 5fa1c395d256e905aa62b22081d8692c [0,1,1,0,0,0|2,0,0]=4 58 B12R1.145 CC(=O)C(=O)Nc1ccsc1C 1899705399a02d69abe1ac61c7fc03fb [0,1,1,0,0,0|2,0,0]=4 59 B12R1.145 CC(=O)C(=O)Nc1cscc1C 51aea850fc1e845be245919a8031ed0a [0,1,1,0,0,0|2,0,0]=4 60 B12R1.145 Cc1sccc1NC(F)C(=O)O 3031ae3a6deca37289aafb4daac18506 [0,1,1,0,0,0|1,0,1]=4 61 B12R1.145 Cc1sccc1N[C@@H](F)C(=O)O ce07440f0a265cda11c9f93151641692 [0,1,1,0,0,0|1,0,1]=4 62 B12R1.145 O=C(O)C(F)Nc1cscc1Br a8af05f16a869d72763c32bf6d0c2d52 [0,1,1,0,0,0|1,0,1]=4 63 B12R1.145 O=C(O)[C@H](F)Nc1cscc1Br 1bc609e30b679a385d4884dd6b05f2c4 [0,1,1,0,0,0|1,0,1]=4 64 B12R1.298 CCC(Nc1ccsc1)C(=O)O 0d56a554fe7ddfe962d4e55b971309c8 [0,1,1,0,0,0|0,0,2]=4 65 B12R1.298 CC[C@@H](Nc1ccsc1)C(=O)O c11bcc8e6e6d06fb9835cc51826567fb [0,1,1,0,0,0|0,0,2]=4 66 B12R1.298 CC[C@H](Nc1ccsc1)C(=O)O e3188edbc28ce369343ff79809f8a1d7 [0,1,1,0,0,0|0,0,2]=4 67 B12R1.298 O=C(O)C(CF)Nc1ccsc1 598007118f8c00de6f188b420751d0a2 [0,1,1,0,0,0|0,0,2]=4 68 B12R1.298 O=C(O)C(CO)Nc1ccsc1 216d6d6ff74f18115e11335200313e7d [0,1,1,0,0,0|0,0,2]=4 69 B12R1.298 O=C(O)[C@@H](CO)Nc1ccsc1 405a150a21ce4e992538d09a88030d66 [0,1,1,0,0,0|0,0,2]=4 70 B12R1.298 O=C(O)[C@H](CO)Nc1ccsc1 bc7697bccb8204d47e4d857a07c44109 [0,1,1,0,0,0|0,0,2]=4 71 B12R1.81 CC(=O)CNc1ccsc1C=O 3debf319b2e0291e468baa8f1d6bb158 [0,1,1,0,0,0|1,0,1]=4 72 B12R1.81 N#Cc1sccc1NCC(=O)O bb8e315b5335f0a71e4022648b637444 [0,1,1,0,0,0|0,0,2]=4 73 B12R1.81 NC(=O)CNc1ccsc1C=O eeebab99455aeea6d5fd3c917e46815e [0,1,1,0,0,0|1,0,1]=4 74 B12R1.81 O=C(O)CNc1ccsc1CO 304a2342e1503ff041bc2731d66710db [0,1,1,0,0,0|0,0,2]=4 75 B12R1.81 O=Cc1sccc1NCC(=O)O 64717200e6c176fc944698d6186e1181 [0,1,1,0,0,0|0,0,1]=3 76 B12R1.353 COC(=O)CNc1ccsc1C 198931b1ae6ac14098f0f9dba03a0cc2 [0,1,1,0,0,0|0,0,2]=4 77 B12R1.353 Cc1sccc1NCC(=O)CO 9508239d154958b404df92cb287650da [0,1,1,0,0,0|0,0,2]=4 78 B12R1.353 Cc1sccc1NCC(=O)NO 9664a5b7b0665823b44769f6028e5660 [0,1,1,0,0,0|0,0,2]=4 79 B12R1.337 C=CCNc1c[nH]c(c1)C(=O)O 9eee3f2083f3edf52ee6c28304a618ac [0,1,1,0,0,0|1,0,0]=3 80 B12R1.337 C=CCNc1c[nH]c(n1)C(=O)O f7f16b9026ebf629745440ae0ad098c9 [0,1,1,0,0,0|2,0,0]=4 81 B12R1.337 C=CCNc1cc([nH]n1)C(=O)O eca952d52565713b163df7f044bcf6dd [0,1,1,0,0,0|2,0,0]=4 82 B12R1.337 C=CCNc1ccc([nH]1)C(=O)O 5fc52f1cd07f55a801759768e0a6b267 [0,1,1,0,0,0|1,0,1]=4 83 B12R1.337 C=CCNc1csc(c1)C(=O)O 3dbde071cdbfc11643b05333408c1430 [0,1,1,0,0,0|2,0,0]=4 84 B12R1.337 C=CCOc1csc(c1)C(=O)O 4e2b0cfebb3047c2a57f0d5811f7f3bf [0,1,1,0,0,0|1,1,0]=4 85 B12R1.337 CSCNc1ccc([nH]1)C(=O)O 2077db40b04530190a8deb9c84ca80b4 [0,1,1,0,0,0|1,0,1]=4 86 B12R1.337 O=C(O)c1ccc([nH]1)NCCS 1c83974467de7f746dddb7a8b22c5cc4 [0,1,1,0,0,0|0,0,2]=4 87 B12R1.337 O=CCNc1c[nH]c(c1)C(=O)O ff0eef194a5705a592714a2c9b551cdd [0,1,1,0,0,0|1,0,1]=4 88 B12R1.337 O=CCNc1ccc([nH]1)C(=O)O f94a89a2d09a33c2c8513c201a6149c8 [0,1,1,0,0,0|0,1,1]=4 89 B12R2.39 O=CNc1nc2sccc2s1 a68e10457c62673599a10caf9f2cf32a [1,1,0,0,0,0|2,0,0]=4 90 B14R2.839 N#CNC(=O)c1cc2sccc2s1 02c72b3b7d142fe2a8298d8129005b31 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.64 CC(=O)Nc1ccsc1C fea9f66d0431adcdc3ac97999f91179d [0,0,1,0,1,0|1,0,1]=4 92 B12R1.260 CC(=O)CC(=O)Nc1ccsc1 24bf6b887c8b75fc2ddd967911e659e1 [0,0,1,0,0,1|2,0,0]=4 93 B12R1.260 CC(CC(=O)O)Nc1ccsc1 9bf6bfc67be5647835d134e12daf3271 [0,0,1,0,0,1|0,0,2]=4 94 B12R1.260 C[C@@H](CC(=O)O)Nc1ccsc1 eab09a2268e869eeebdb092eb15b4a69 [0,0,1,0,0,1|0,0,2]=4 95 B12R1.260 C[C@H](CC(=O)O)Nc1ccsc1 fde26fd8bfc4b68a4a5747ac8e17b749 [0,0,1,0,0,1|0,0,2]=4 96 B12R1.260 NC(=O)CC(=O)Nc1ccsc1 88d3f1b0b1aeb62a7ae54de39e8cd483 [0,0,1,0,0,1|2,0,0]=4 97 B12R1.264 C=C(CNc1cc[nH]n1)C(=O)O 5c05f6937ab60af5ecac313f78d92b9c [0,0,1,0,0,1|2,0,0]=4 98 B12R1.264 C=C(CNc1cccs1)C(=O)O 101ab96d3c55e1db83755fb149265590 [0,0,1,0,0,1|1,0,1]=4 99 B12R1.264 C=C(CNc1ccno1)C(=O)O 4e7cdc283b74e965c6da7bf2706c009e [0,0,1,0,0,1|2,0,0]=4 100 B12R1.264 C=C(CNc1ccns1)C(=O)O 9dc8100a39d1753e14886b30d0dadea7 [0,0,1,0,0,1|2,0,0]=4 101 B12R1.264 C=C(CNc1ccon1)C(=O)O cf802f07804bc53a08c0e9773f766c3d [0,0,1,0,0,1|1,1,0]=4 102 B12R1.264 C=C(CNc1ccsc1)C(=O)O cc2521362d2d776635866efde92ed6e5 [0,0,1,0,0,1|0,0,0]=2 103 B12R1.264 C=C(CNc1cn[nH]c1)C(=O)O fea4e9724ab124cd7a2afcaaae34714a [0,0,1,0,0,1|2,0,0]=4 104 B12R1.264 C=C(CNc1cncs1)C(=O)O 341b70d4fc2248fa7557a9671de65a11 [0,0,1,0,0,1|2,0,0]=4 105 B12R1.264 C=C(CNc1cnoc1)C(=O)O a13a1fd31ef3d58a823e04149782698c [0,0,1,0,0,1|1,1,0]=4 106 B12R1.264 C=C(CNc1cocn1)C(=O)O 24eb9e77ccdad66d970fee86bd269544 [0,0,1,0,0,1|1,1,0]=4 107 B12R1.264 C=C(CNc1cscn1)C(=O)O 23674b3bcb98fdae1b42b2403f94f3ef [0,0,1,0,0,1|1,0,0]=3 108 B12R1.264 C=C(COc1cccs1)C(=O)O afda6ae56459d0b480e1014afc88ffb7 [0,0,1,0,0,1|1,0,1]=4 109 B12R1.264 C=C(COc1ccsc1)C(=O)O 172d8177ef5a4af6d05a78456472af4f [0,0,1,0,0,1|1,0,0]=3 110 B12R1.264 CC(=O)C(=O)CNc1ccsc1 029c1e8eca0334b05297930809a86d56 [0,0,1,0,0,1|2,0,0]=4 111 B12R1.264 CC(=O)C(=O)NCc1ccsc1 e723980fe1ef1a6a1145d87427adec6f [0,0,1,0,0,1|2,0,0]=4 112 B12R1.264 CC(CNc1ccsc1)C(=O)O 0d3ef0c634714cac8101d51dbba5f2b3 [0,0,1,0,0,1|0,0,2]=4 113 B12R1.264 CC(NCc1ccsc1)C(=O)O 7e20284651e6d156136b4edaf78426c9 [0,0,1,0,0,1|0,0,2]=4 114 B12R1.264 C[C@@H](CNc1ccsc1)C(=O)O 667e34a1cef70b7d98b82dd820fbf9cc [0,0,1,0,0,1|0,0,2]=4 115 B12R1.264 C[C@@H](NCc1ccsc1)C(=O)O 72d3514295059250fd5c171da31a3be6 [0,0,1,0,0,1|0,0,2]=4 116 B12R1.264 C[C@H](CNc1ccsc1)C(=O)O 9e6545097f7599e8b77b51f8e93671e7 [0,0,1,0,0,1|0,0,2]=4 117 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O a4e89ef994c546ca1c28f18810159699 [0,0,1,0,0,1|0,0,2]=4 118 B12R1.264 NC(=O)C(=O)NCc1ccsc1 79018f40b0ff8feff22dd7bac99b6aee [0,0,1,0,0,1|2,0,0]=4 119 B12R1.264 O=C(O)C(=O)CNc1cccs1 308d97a5a8733a391f9e82b2819b5f54 [0,0,1,0,0,1|1,0,1]=4 120 B12R1.264 O=C(O)C(=O)CNc1ccsc1 8428554e960bc187bc1030b4a3d4138f [0,0,1,0,0,1|1,0,0]=3 121 B12R1.264 O=C(O)C(=O)CNc1cscn1 c5f75aff9b38b8ebf815d59527a580db [0,0,1,0,0,1|2,0,0]=4 122 B12R1.264 O=C(O)C(F)CNc1ccsc1 ee00a525ae925e98e2c8d87e1a1c5e99 [0,0,1,0,0,1|1,0,1]=4 123 B12R1.264 O=C(O)C(O)CNc1ccsc1 2dc0f67f0ac53525af2afcdd1c806935 [0,0,1,0,0,1|1,0,1]=4 124 B12R1.264 O=C(O)C(O)NCc1ccsc1 017b43e8fd266ba8958c55525e699f81 [0,0,1,0,0,1|1,0,1]=4 125 B12R1.264 O=C(O)[C@@H](O)CNc1ccsc1 def04efe3c8298e9f06db8710a4bf9af [0,0,1,0,0,1|1,0,1]=4 126 B12R1.264 O=C(O)[C@H](O)CNc1ccsc1 ab203d4f27e650014f6899f1b320328b [0,0,1,0,0,1|1,0,1]=4 127 B12R1.130 Cc1sccc1NCCC(=O)O 0451d9caf7c64e9f617712864b80c63f [0,0,1,0,0,1|0,0,2]=4 128 B12R1.130 O=C(O)CNCc1ccsc1Br 88adb4928a0eb5af3412079edb697727 [0,0,1,0,0,1|1,0,1]=4 129 B12R1.130 O=C(O)CNCc1ccsc1Cl f31ca81ad711bada43bdeccb687fd70e [0,0,1,0,0,1|1,0,1]=4 130 B14R2.1008 CC(=O)Nc1ccc2ccsc2c1 e8b3d1c86b8305b6498fd3f8974e3ee9 [0,0,0,0,0,2|2,0,0]=4 131 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 23900f7bff9dbf8657c22ebbf547c685 [0,0,0,0,0,2|2,0,0]=4 132 B14R2.1008 CC(=O)Nc1ccc2sccc2n1 43a1bbd7d1b5b5578475f49a3fdd8495 [0,0,0,0,0,2|1,0,1]=4 133 B14R2.1008 CC(=O)Nc1cnc2sccc2c1 cfa05ba623480865309e7d0bbb9f7e60 [0,0,0,0,0,2|2,0,0]=4 134 B14R2.770 O=C(O)CNc1nc2sccc2s1 c72b481730cfde3755d22393cd9fe302 [0,0,0,0,0,2|2,0,0]=4