0 B19R2.149543 Cc1ccc(cc1)NC(=O)/C=C/2\SC(=O)NC2=O 35c9de2afaa6f5873c2d0f72e1af2dce [0,0,1,0,0,0|1,1,0]=3 1 B19R2.149543 Cc1ccc(cn1)NC(=O)/C=C/2\SC(=O)NC2=O f25b7e3c53f4a628f7499a9b3578cc38 [0,0,1,0,0,0|2,1,0]=4 2 B19R2.149543 Cc1ccc(nc1)NC(=O)/C=C/2\SC(=O)NC2=O e7617f50e91d7b5e8a8b990c3999fd38 [0,0,1,0,0,0|2,1,0]=4 3 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2)Br 2efef0f53b769ef450bfbf696e0103a7 [0,0,1,0,0,0|0,1,0]=2 4 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2)F aaff846d22a3e2b6b7f81ef8d0abe3e6 [0,0,1,0,0,0|0,2,0]=3 5 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2)I 35fa099c738957d332b4b859cc5edc49 [0,0,1,0,0,0|0,2,0]=3 6 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2)O bdd0608f63594b906b6276fb09859714 [0,0,1,0,0,0|1,1,0]=3 7 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2)S c9e904244e893ebabd59b41af541df84 [0,0,1,0,0,0|1,1,0]=3 8 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cn2)Cl e33ec9d798422b539a2bf64b4692be4f [0,0,1,0,0,0|1,2,0]=4 9 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cn2)F 43a545bb5aa641faf805420ea4011694 [0,0,1,0,0,0|1,2,0]=4 10 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cn2)I 1c0b6130b28a0b7988427d9109a3e376 [0,0,1,0,0,0|1,2,0]=4 11 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cn2)O 18b06ce473acc9a2e52461fe9e99189f [0,0,1,0,0,0|2,1,0]=4 12 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(nc2)Br 676d98b03ac8233440eb27241e9d0f90 [0,0,1,0,0,0|1,1,0]=3 13 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(nc2)Cl 8dd7a54fceef69d29bd0421a268aba5f [0,0,1,0,0,0|1,2,0]=4 14 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(nc2)F 113a3ccd1eecf3dbf856df213a3b7ca7 [0,0,1,0,0,0|1,2,0]=4 15 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(nc2)I 39e3adb32126540b3eecdc485affa196 [0,0,1,0,0,0|1,2,0]=4 16 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2cnc(cn2)Br 077ac5ff7eaf7b169d8ef08f53a337e9 [0,0,1,0,0,0|2,1,0]=4 17 B19R2.149543 O=C(/C=C/1\SC(=O)NC1=O)Nc2cnc(nc2)Br d5e4f9ed1dffb7b107d7478ee73c4461 [0,0,1,0,0,0|2,1,0]=4 18 B21R3.23231585 O=C1NC(=O)C(S1)OC2C(=O)Nc3c2cc(cc3)Br f99597b91d2230e2f5e862d90f798f86 [0,0,0,0,0,1|0,1,2]=4 19 B18R2.30689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccccc2 a37647b53e8819a70114a126902e7e9f [1,0,1,0,0,0|0,1,0]=3 20 B18R2.30689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccccn2 2a96b5bb851fad7e5b5a314259f110a2 [1,0,1,0,0,0|1,1,0]=4 21 B18R2.30689 O=C(/C=C/1\SC(=O)NC1=O)Nc2cccnc2 6bf9e5b79819138dd6399299c300a192 [1,0,1,0,0,0|1,1,0]=4 22 B18R2.30689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccncc2 32fde534c2f690e7c6d6cb4f06d9e567 [1,0,1,0,0,0|1,1,0]=4 23 B20R2.6081 C#Cc1ccc(cc1)NC(=O)/C=C/2\SC(=O)NC2=O 799916d556077af0c8187fa8922c805b [0,1,1,0,0,0|1,1,0]=4 24 B20R2.6081 C=Cc1ccc(cc1)NC(=O)/C=C/2\SC(=O)NC2=O 1948f1db2efc3734804d514a94881164 [0,1,1,0,0,0|1,1,0]=4 25 B20R2.6081 CCc1ccc(cc1)NC(=O)/C=C/2\SC(=O)NC2=O ef5b82c94db0067ea4a909e4bdaff085 [0,1,1,0,0,0|1,1,0]=4 26 B20R2.6081 COc1ccc(cc1)NC(=O)/C=C/2\SC(=O)NC2=O 9ff60a37482fea190aeb78fa0676ada2 [0,1,1,0,0,0|1,1,0]=4 27 B20R2.6081 CSc1ccc(cc1)NC(=O)/C=C/2\SC(=O)NC2=O 0a06b63b9ec92ca91de4c0033b37ff71 [0,1,1,0,0,0|1,1,0]=4 28 B20R2.6081 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2)CO 0f4c9f44d093aac5c009e3cc6896d6e2 [0,1,1,0,0,0|1,1,0]=4 29 B20R2.235887 CN(C(=O)/C=C/1\SC(=O)NC1=O)c2ccc(cc2)Br fd54f983b0fe9bca04d11ad26a38202a [0,1,1,0,0,0|0,1,0]=3 30 B20R2.235887 CN(C(=O)/C=C/1\SC(=O)NC1=O)c2ccc(cc2)Cl 522b5d0694572d4bfa4dcae21d07a4ac [0,1,1,0,0,0|0,2,0]=4 31 B20R2.235887 CN(C(=O)/C=C/1\SC(=O)NC1=O)c2ccc(cc2)F 3bacd63f0a22072ef34b4be674ac084d [0,1,1,0,0,0|0,2,0]=4 32 B20R2.235887 CN(C(=O)/C=C/1\SC(=O)NC1=O)c2ccc(cc2)I f07be16b7aa36abbc4d2188cbc581bb3 [0,1,1,0,0,0|0,2,0]=4 33 B20R2.235887 CN(C(=O)/C=C/1\SC(=O)NC1=O)c2ccc(cc2)O e416290316337883e98c07cf50ce2a18 [0,1,1,0,0,0|1,1,0]=4 34 B20R2.235887 CN(C(=O)/C=C/1\SC(=O)NC1=O)c2ccc(cc2)S e01acc1658d0b2f17ab23e5359b6774d [0,1,1,0,0,0|1,1,0]=4 35 B20R2.235887 CN(C(=O)/C=C/1\SC(=O)NC1=O)c2ccc(cn2)Br e375f3078814afb82837f4a44c441fc2 [0,1,1,0,0,0|1,1,0]=4 36 B20R2.235887 CN(C(=O)/C=C/1\SC(=O)NC1=O)c2ccc(nc2)Br 986f623d11538a7962479cb68760073a [0,1,1,0,0,0|1,1,0]=4 37 B20R2.235887 Cc1ccc(cc1)N(C)C(=O)/C=C/2\SC(=O)NC2=O 6a457eba5ddfd90a15a2349f9ba83f91 [0,1,1,0,0,0|1,1,0]=4 38 B20R2.237632 Cc1cc(ccc1F)NC(=O)/C=C/2\SC(=O)NC2=O dff1306493be5d0154340aba31c2c168 [0,1,1,0,0,0|0,2,0]=4 39 B20R2.237632 Cc1cc(ccc1O)NC(=O)/C=C/2\SC(=O)NC2=O d166ea43f9ef5fa6d08551a27e38cab3 [0,1,1,0,0,0|1,1,0]=4 40 B20R2.237632 Cc1cc(cnc1Br)NC(=O)/C=C/2\SC(=O)NC2=O a93301654d7e443613ed5848f5cea7b9 [0,1,1,0,0,0|1,1,0]=4 41 B20R2.237632 Cc1ccc(cc1C)NC(=O)/C=C/2\SC(=O)NC2=O 30f4d807adc4afb862b9085570e2f2e2 [0,1,1,0,0,0|1,1,0]=4 42 B20R2.237632 Cc1ccc(cc1Cl)NC(=O)/C=C/2\SC(=O)NC2=O a75a4b30f7b6cc706ac343571f2c316b [0,1,1,0,0,0|1,1,0]=4 43 B20R2.237632 Cc1ccc(cc1F)NC(=O)/C=C/2\SC(=O)NC2=O 6a8fb819c00fc5b54b6f951819c216e0 [0,1,1,0,0,0|1,1,0]=4 44 B20R2.237632 Cc1ccc(cc1I)NC(=O)/C=C/2\SC(=O)NC2=O ca1ae8d0beabbc608c7dc9d68b3aead1 [0,1,1,0,0,0|1,1,0]=4 45 B20R2.237632 Cc1ccc(cc1O)NC(=O)/C=C/2\SC(=O)NC2=O f8c228f5e86877b9e6f8e088e5f1c89b [0,1,1,0,0,0|1,1,0]=4 46 B20R2.237632 Cc1nc(ccc1Br)NC(=O)/C=C/2\SC(=O)NC2=O 37b7353cb0763f6d48825571b5fec60a [0,1,1,0,0,0|1,1,0]=4 47 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2cc(c(cn2)Br)Cl c471b7ac03074ed53a3964dc0e294daa [0,1,1,0,0,0|1,1,0]=4 48 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)Br)F f79015b1022446fd4688024328d71db5 [0,1,1,0,0,0|0,2,0]=4 49 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)Br)I b3dd35b035e7791d6edad3d8819320ed [0,1,1,0,0,0|0,2,0]=4 50 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)Cl)F 2f9318287a6694cab6b2f1547594500c [0,1,1,0,0,0|0,2,0]=4 51 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)Cl)I 9a63d3faf8cfed346e26d2eca3cd5db0 [0,1,1,0,0,0|0,2,0]=4 52 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)Cl)O 478e0b3f9f3c52175bca6a066e98500f [0,1,1,0,0,0|1,1,0]=4 53 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)F)F 08853bccd19b06f6db49e13efc059d5e [0,1,1,0,0,0|0,2,0]=4 54 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)F)I 464e9a329001a8d1ffe91c4e6a897fa8 [0,1,1,0,0,0|0,2,0]=4 55 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)F)O a840042c8c1b503ccc6b49ce8f1a43c7 [0,1,1,0,0,0|1,1,0]=4 56 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)I)Cl 859b681b0c152460ec8a66c1f66c0993 [0,1,1,0,0,0|0,2,0]=4 57 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)I)F 6765e8f6e0daad8e683e4798d31ff8e2 [0,1,1,0,0,0|0,2,0]=4 58 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)I)O cc32c7f266bde9cd00edaf4e53b8c307 [0,1,1,0,0,0|1,1,0]=4 59 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)O)Cl 3fc42ae3bed5104ef662e291998267da [0,1,1,0,0,0|0,2,0]=4 60 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)O)F e94875600f92427aadae64615d6f61e9 [0,1,1,0,0,0|0,2,0]=4 61 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(c(c2)O)O b731f66aab97751b70f3474d5638d1d8 [0,1,1,0,0,0|1,1,0]=4 62 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2cnc(c(c2)Br)Br d2d09798bb120b46dc9c7434e62f9200 [0,1,1,0,0,0|1,1,0]=4 63 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2cnc(c(c2)Cl)Br 6569743c308a84b1da7297b91140aea3 [0,1,1,0,0,0|1,1,0]=4 64 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2cnc(c(c2)F)Br bae6582ec416d223541217f3e7c82559 [0,1,1,0,0,0|1,1,0]=4 65 B20R2.237632 O=C(/C=C/1\SC(=O)NC1=O)Nc2cnc(c(c2)I)Br d4966bc0f1cf1ba2193b1b9d85fac7dd [0,1,1,0,0,0|1,1,0]=4 66 B20R2.2730689 Cc1cc(ccc1NC(=O)/C=C/2\SC(=O)NC2=O)Br 6b1cb0262427c30a7d2411424beb59e0 [0,1,1,0,0,0|0,1,0]=3 67 B20R2.2730689 Cc1cc(ccc1NC(=O)/C=C/2\SC(=O)NC2=O)F 859ac6036fcb9fdb3e22d9e2083bb464 [0,1,1,0,0,0|0,2,0]=4 68 B20R2.2730689 Cc1cc(ccc1NC(=O)/C=C/2\SC(=O)NC2=O)I 91a9def233ff6be46086b9f9a480d058 [0,1,1,0,0,0|0,2,0]=4 69 B20R2.2730689 Cc1cc(ccc1NC(=O)/C=C/2\SC(=O)NC2=O)O 6fd983b3cf1ee547cee7d5a656debdbb [0,1,1,0,0,0|1,1,0]=4 70 B20R2.2730689 Cc1ccc(c(c1)Br)NC(=O)/C=C/2\SC(=O)NC2=O f11d5f367be89cdd286cdce9a04c07fe [0,1,1,0,0,0|1,1,0]=4 71 B20R2.2730689 Cc1ccc(c(c1)C)NC(=O)/C=C/2\SC(=O)NC2=O dd94a0cad45a2909b9e3b435a07e610d [0,1,1,0,0,0|1,1,0]=4 72 B20R2.2730689 Cc1ccc(c(c1)Cl)NC(=O)/C=C/2\SC(=O)NC2=O efc1b1eab5b1ee771cb7a1e055823590 [0,1,1,0,0,0|1,1,0]=4 73 B20R2.2730689 Cc1ccc(c(c1)F)NC(=O)/C=C/2\SC(=O)NC2=O de4ac05d9eff3716731374a5ddd6e27a [0,1,1,0,0,0|1,1,0]=4 74 B20R2.2730689 Cc1ccc(c(c1)I)NC(=O)/C=C/2\SC(=O)NC2=O a1aa499e62f651a558cf498a501c9400 [0,1,1,0,0,0|1,1,0]=4 75 B20R2.2730689 Cc1ccc(c(c1)O)NC(=O)/C=C/2\SC(=O)NC2=O 47b1493d465696076f111d0615da5140 [0,1,1,0,0,0|1,1,0]=4 76 B20R2.2730689 Cc1ccc(c(c1)S)NC(=O)/C=C/2\SC(=O)NC2=O fe546199891945745e14f9afa2f5be92 [0,1,1,0,0,0|1,1,0]=4 77 B20R2.2730689 Cc1nc(ccc1NC(=O)/C=C/2\SC(=O)NC2=O)Br dc253f84984a2917da98b1721814c4c2 [0,1,1,0,0,0|1,1,0]=4 78 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2Br)F 02fea1d8fd4f1a5ec04ab902693463cc [0,1,1,0,0,0|0,2,0]=4 79 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2Br)I 24d348481dac112f12821da3e63d51c9 [0,1,1,0,0,0|0,2,0]=4 80 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2Br)O 194f5617e7a7cc4540f9e635523269bc [0,1,1,0,0,0|1,1,0]=4 81 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2Cl)F 16a870b851fc40bf937bd9c8c37aee7a [0,1,1,0,0,0|0,2,0]=4 82 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2Cl)I 3abd99b06f742a69e8f8c08c5fd01863 [0,1,1,0,0,0|0,2,0]=4 83 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2Cl)O 1c0e6ceb14cf6e9748e2b993e6b3c262 [0,1,1,0,0,0|1,1,0]=4 84 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2F)Br 711313b859c4eb853289d62dc93af7b5 [0,1,1,0,0,0|0,1,0]=3 85 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2F)Cl e2d59fad539a7adee03ff25a6043e270 [0,1,1,0,0,0|0,2,0]=4 86 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2F)F df6c3204126008e47bc796348e742be1 [0,1,1,0,0,0|0,2,0]=4 87 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2F)I ebdbb817f9b8b7af744013db8c260060 [0,1,1,0,0,0|0,2,0]=4 88 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2F)O 679b07184d192eba99e35211e6bef423 [0,1,1,0,0,0|1,1,0]=4 89 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2F)S 1727af223b4cac829fbfde01a8362c0f [0,1,1,0,0,0|1,1,0]=4 90 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2I)Br c47a815074a2c30054b372796c4bcdef [0,1,1,0,0,0|0,1,0]=3 91 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2I)F 8bb4e33267bafa937e724c651a405ce6 [0,1,1,0,0,0|0,2,0]=4 92 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2I)I ab80538804339572049038f60bfe8eb1 [0,1,1,0,0,0|0,2,0]=4 93 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2I)O 81229c013c9d458c29203820cc4e8b61 [0,1,1,0,0,0|1,1,0]=4 94 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2O)F 60a2f2664463833c5c5c1b520c81e9e8 [0,1,1,0,0,0|0,2,0]=4 95 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2O)I 3d31e8e43c5454d0549eedaf728bead1 [0,1,1,0,0,0|0,2,0]=4 96 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2O)O 2496a03604d785273c399b789bcbef25 [0,1,1,0,0,0|1,1,0]=4 97 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(cc2S)F e6e84b18c47952e7a02504871fb655e0 [0,1,1,0,0,0|0,2,0]=4 98 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(nc2I)Br a6ae8b4032996db8b2d2077717221870 [0,1,1,0,0,0|1,1,0]=4 99 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ccc(nc2O)Br 8bbe0a10e769a8b6d912d8b1c8c1206d [0,1,1,0,0,0|1,1,0]=4 100 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2cnc(cc2I)Br 25809d4f3d49f8b5ba386df644fc1501 [0,1,1,0,0,0|1,1,0]=4 101 B20R2.2730689 O=C(/C=C/1\SC(=O)NC1=O)Nc2ncc(cc2I)Br 0f97d002490008cb484a6a04c7b5c7fb [0,1,1,0,0,0|1,1,0]=4 102 B18R1.32745 NC(=O)NC(=O)/C=C\C(=O)Nc1ccc(cc1)Br 4330a534d46f06d3f7ff913be6dee9d2 [0,0,2,0,0,0|1,1,0]=4 103 B20R2.68119 Cc1ccc(cc1)CNC(=O)/C=C/2\SC(=O)NC2=O d75944f71b7ce0609976e3ed4e4b4b2b [0,0,1,0,0,1|1,1,0]=4 104 B20R2.68119 O=C(/C=C/1\SC(=O)NC1=O)NCc2ccc(cc2)Br 0576789c04e150cb41eb15877992d59c [0,0,1,0,0,1|0,1,0]=3 105 B20R2.68119 O=C(/C=C/1\SC(=O)NC1=O)NCc2ccc(cc2)Cl 414d1aaaf12a3990f6fa0310d24ed92e [0,0,1,0,0,1|0,2,0]=4 106 B20R2.68119 O=C(/C=C/1\SC(=O)NC1=O)NCc2ccc(cc2)F bbfa545596158d27d31f39da865a610d [0,0,1,0,0,1|0,2,0]=4 107 B20R2.68119 O=C(/C=C/1\SC(=O)NC1=O)NCc2ccc(cc2)I 52aa1cae426d386610406355b688add8 [0,0,1,0,0,1|0,2,0]=4 108 B20R2.68119 O=C(/C=C/1\SC(=O)NC1=O)NCc2ccc(cc2)O 9aa3780dd1ddc349558e3423742727f8 [0,0,1,0,0,1|1,1,0]=4 109 B20R2.68119 O=C(/C=C/1\SC(=O)NC1=O)NCc2ccc(cn2)Br 1448260291429e772b4c53c38a0d1dff [0,0,1,0,0,1|1,1,0]=4 110 B20R2.68119 O=C(/C=C/1\SC(=O)NC1=O)NCc2ccc(nc2)Br a583d810a55e4f6e0b6c8b964a619c88 [0,0,1,0,0,1|1,1,0]=4 111 B22R3.72909529 O=C1NC(=O)C(S1)Oc2cc(=O)[nH]c3c2cc(cc3)Br a71d054b88204f8293abb6f3da638e75 [0,0,0,0,0,2|0,1,1]=4