0 B19R3.240555 Oc1ccc(cc1O)c2cccc3c2ccs3 386fe17bbf9d6704ec3ac4611a18aa48 [0,0,0,0,0,0|1,0,3]=4 1 B19R3.240555 Oc1ccc(cc1O)c2cncc3c2ccs3 4eabfb320f1e4844fc23f535e663cb3c [0,0,0,0,0,0|0,0,4]=4 2 B19R3.240555 Oc1ccc(cc1O)c2nccc3c2ccs3 7fc0aa79317783662bed5afce788c01c [0,0,0,0,0,0|2,0,2]=4 3 B19R3.240555 Oc1ccc(cc1O)c2ncnc3c2ccs3 93bc32fbd39cdd001c93724a55264974 [0,0,0,0,0,0|3,0,1]=4 4 B19R3.240555 Oc1ccc(cc1O)c2nncc3c2ccs3 42b335decde34089b9efcb63b35ce38c [0,0,0,0,0,0|1,0,3]=4 5 B20R3.5832888 O=c1[nH]cc(c2c1scc2)c3ccc(c(c3)O)O 0e332823699be48540b1e486528d8473 [0,1,0,0,0,0|0,0,3]=4 6 B18R2.5362 CCCc1sccc1Nc2ccc(c(c2)O)C a7858697167a8c6bb9234f971463c99b [0,0,1,0,0,0|3,0,0]=4 7 B18R2.9095 Cc1cc(ccc1Br)CCNCc2ccco2 e2b6f2a59e4c4060ee1b6c3d5611e0c7 [0,0,1,0,0,0|2,1,0]=4 8 B18R2.9095 Cc1cc(ccc1Br)CCNCc2cccs2 fe2c66cfcdd969ae1a9e6188d8dd1083 [0,0,1,0,0,0|2,0,0]=3 9 B18R2.9095 Cc1cc(ccc1Br)CCNCc2nccs2 dc5aac1ee80497337967944c6b86747c [0,0,1,0,0,0|3,0,0]=4 10 B18R2.9095 Cc1cc(ccc1Br)CCOCc2cccs2 c77f40690989f9d30be05931b3ae6ff7 [0,0,1,0,0,0|3,0,0]=4 11 B18R2.9095 Cc1ccc(cc1C)CCNCc2ccco2 8d9e7c04908701a2c881a69e2e120323 [0,0,1,0,0,0|2,1,0]=4 12 B18R2.9095 Cc1ccc(cc1C)CCNCc2cccs2 727c5410509cba4bb4396c1d63cd3e60 [0,0,1,0,0,0|2,0,0]=3 13 B18R2.9095 Cc1ccc(cc1C)CCNCc2nccs2 5c8f7d443a180a321aa36938d6384072 [0,0,1,0,0,0|3,0,0]=4 14 B18R2.9095 Cc1ccc(cc1C)CCOCc2cccs2 0540d7a79221e535d4045eeba0683bfc [0,0,1,0,0,0|3,0,0]=4 15 B18R2.9095 Clc1ccc(cc1Cl)CCNCc2ccc[nH]2 44fe06885868ea9cdfdd85b4d0d07330 [0,0,1,0,0,0|3,0,0]=4 16 B18R2.9095 Clc1ccc(cc1Cl)CCNCc2ccco2 366651594b73279adc326d16d4402867 [0,0,1,0,0,0|2,1,0]=4 17 B18R2.9095 Clc1ccc(cc1Cl)CCNCc2cccs2 9c5ea6d29634b128df480a51473ec8b7 [0,0,1,0,0,0|2,0,0]=3 18 B18R2.9095 Clc1ccc(cc1Cl)CCNCc2ccns2 810f38cc52eb25aec769afe40571787a [0,0,1,0,0,0|3,0,0]=4 19 B18R2.9095 Clc1ccc(cc1Cl)CCNCc2cncs2 674531adce963b13f3215478850681c9 [0,0,1,0,0,0|3,0,0]=4 20 B18R2.9095 Clc1ccc(cc1Cl)CCNCc2nccs2 0becbf3ea2ec9f5b4516cd98d1e96a75 [0,0,1,0,0,0|3,0,0]=4 21 B18R2.9095 Clc1ccc(cc1Cl)CCOCc2cccs2 b76f49c85965d0d021bff2ff072cec9f [0,0,1,0,0,0|3,0,0]=4 22 B18R2.9095 Fc1cc(ccc1Br)CCOCc2cccs2 d196b3a059bf0c63a54b6cbb682beede [0,0,1,0,0,0|3,0,0]=4 23 B18R2.9095 Fc1cc(ccc1Cl)CCNCc2ccco2 65135976fd4e48a1c1ed7db90d52d33b [0,0,1,0,0,0|2,1,0]=4 24 B18R2.9095 Fc1cc(ccc1Cl)CCNCc2cccs2 206a35f06c778e41c72d931c8604b137 [0,0,1,0,0,0|2,0,0]=3 25 B18R2.9095 Fc1cc(ccc1Cl)CCNCc2nccs2 9262d17522e8778e410aeec25e52a43a [0,0,1,0,0,0|3,0,0]=4 26 B18R2.9095 Fc1cc(ccc1Cl)CCOCc2cccs2 d0fde0298c0104703c29493e382d87d5 [0,0,1,0,0,0|3,0,0]=4 27 B18R2.9095 Fc1ccc(cc1Br)CCOCc2cccs2 633cdebcfd554bb1c86d37abf407bd33 [0,0,1,0,0,0|3,0,0]=4 28 B18R2.9095 Fc1ccc(cc1Cl)CCNCc2ccc[nH]2 841c9ba7426a113de53fa95d0c70aa06 [0,0,1,0,0,0|3,0,0]=4 29 B18R2.9095 Fc1ccc(cc1Cl)CCNCc2ccco2 49e2b332afde2ed5035c6c0c1edb7b63 [0,0,1,0,0,0|2,1,0]=4 30 B18R2.9095 Fc1ccc(cc1Cl)CCNCc2cccs2 566665c9ce1c5fa13b8c66b22ba9bf4f [0,0,1,0,0,0|2,0,0]=3 31 B18R2.9095 Fc1ccc(cc1Cl)CCNCc2ccns2 57deee88056b99023b61e32e19060544 [0,0,1,0,0,0|3,0,0]=4 32 B18R2.9095 Fc1ccc(cc1Cl)CCNCc2cncs2 7d4570aac5424d86670343f9fe63a192 [0,0,1,0,0,0|3,0,0]=4 33 B18R2.9095 Fc1ccc(cc1Cl)CCNCc2nccs2 4bda6700ef899dc9ed635bf14060a074 [0,0,1,0,0,0|3,0,0]=4 34 B18R2.9095 Fc1ccc(cc1Cl)CCOCc2cccs2 829b78264bb275abad895a2a57f386a9 [0,0,1,0,0,0|3,0,0]=4 35 B18R2.9095 Fc1ccc(cc1F)CCNCc2ccc[nH]2 e9380fba34c7a400c65ff7a6d420a0f6 [0,0,1,0,0,0|3,0,0]=4 36 B18R2.9095 Fc1ccc(cc1F)CCNCc2ccco2 af5e128e5d50a06b61e8fa7e18a0ca7a [0,0,1,0,0,0|2,1,0]=4 37 B18R2.9095 Fc1ccc(cc1F)CCNCc2cccs2 36550eba789ad80e2706f3d1147ccf85 [0,0,1,0,0,0|2,0,0]=3 38 B18R2.9095 Fc1ccc(cc1F)CCNCc2ccns2 f66533a4d084d6aa9e87879e28f8a693 [0,0,1,0,0,0|3,0,0]=4 39 B18R2.9095 Fc1ccc(cc1F)CCNCc2cncs2 654ae537fdbc51286730a4dd3279cf81 [0,0,1,0,0,0|3,0,0]=4 40 B18R2.9095 Fc1ccc(cc1F)CCNCc2nccs2 8010c573ba4fdd50e50a290ae4d06d5c [0,0,1,0,0,0|3,0,0]=4 41 B18R2.9095 Fc1ccc(cc1F)CCOCc2cccs2 5469d8f83fbf1ca8eae668ab9bebcd79 [0,0,1,0,0,0|3,0,0]=4 42 B18R2.9095 Oc1ccc(cc1O)CCOCc2cc[nH]c2 2e9d9b1390b9afaad6910e18e5147ba6 [0,0,1,0,0,0|3,0,0]=4 43 B18R2.9095 Oc1ccc(cc1O)CCOCc2ccc[nH]2 1e689cb18ec7ebb713d498bda4d68ef0 [0,0,1,0,0,0|2,0,0]=3 44 B18R2.9095 Oc1ccc(cc1O)CCOCc2ccco2 318905981cafaf551518f53eb3c0552b [0,0,1,0,0,0|1,1,0]=3 45 B18R2.9095 Oc1ccc(cc1O)CCOCc2cccs2 dea382f08ccda4c9c4fa9fb1d7557f97 [0,0,1,0,0,0|1,0,0]=2 46 B18R2.9095 Oc1ccc(cc1O)CCOCc2ccn[nH]2 a245bb929fc046db4a3a32733c3281d7 [0,0,1,0,0,0|3,0,0]=4 47 B18R2.9095 Oc1ccc(cc1O)CCOCc2ccno2 f473d1c337160c36cee44bc57137fea8 [0,0,1,0,0,0|2,1,0]=4 48 B18R2.9095 Oc1ccc(cc1O)CCOCc2ccns2 cb9161ecff6b4c5cd23fb2bac4025717 [0,0,1,0,0,0|2,0,0]=3 49 B18R2.9095 Oc1ccc(cc1O)CCOCc2ccoc2 ac2603c5786342444cfd108a16d159bf [0,0,1,0,0,0|3,0,0]=4 50 B18R2.9095 Oc1ccc(cc1O)CCOCc2ccon2 5c16b4196a1be84c0b69271c68b9a124 [0,0,1,0,0,0|3,0,0]=4 51 B18R2.9095 Oc1ccc(cc1O)CCOCc2ccsc2 49090960c63eeafb37bd9bc3af6e27b3 [0,0,1,0,0,0|3,0,0]=4 52 B18R2.9095 Oc1ccc(cc1O)CCOCc2ccsn2 5f611fd5fb4917056b0729d7c0b63fbe [0,0,1,0,0,0|3,0,0]=4 53 B18R2.9095 Oc1ccc(cc1O)CCOCc2cnc[nH]2 7656253fc2e59e43e09e2f4c2739641d [0,0,1,0,0,0|3,0,0]=4 54 B18R2.9095 Oc1ccc(cc1O)CCOCc2cnco2 754e385c1c01d91527fd4ef65d982b20 [0,0,1,0,0,0|2,1,0]=4 55 B18R2.9095 Oc1ccc(cc1O)CCOCc2cncs2 12e489a359d75ac959f3f19e97203f00 [0,0,1,0,0,0|2,0,0]=3 56 B18R2.9095 Oc1ccc(cc1O)CCOCc2cocn2 12beb804e4bfda4a46b4af636b6dece3 [0,0,1,0,0,0|3,0,0]=4 57 B18R2.9095 Oc1ccc(cc1O)CCOCc2cscn2 a3fdd6dc85895b358d4bdef92ed56bb1 [0,0,1,0,0,0|3,0,0]=4 58 B18R2.9095 Oc1ccc(cc1O)CCOCc2ncc[nH]2 1d4a44d0cd79a952fd94d816d9479b31 [0,0,1,0,0,0|3,0,0]=4 59 B18R2.9095 Oc1ccc(cc1O)CCOCc2ncco2 dd5d805f88c234f880a090ca30808bfc [0,0,1,0,0,0|2,1,0]=4 60 B18R2.9095 Oc1ccc(cc1O)CCOCc2nccs2 1ce18f80d08ffa17192b8925a4c2713a [0,0,1,0,0,0|2,0,0]=3 61 B18R2.9095 Oc1ccc(cc1O)CCOCc2ncns2 b67ef58fba407da79d63bc85f7486760 [0,0,1,0,0,0|3,0,0]=4 62 B18R2.9095 Oc1ccc(cc1O)CCOCn2cccn2 023ee466dbc563d2b1d4d9975724fce3 [0,0,1,0,0,0|3,0,0]=4 63 B18R2.20667 CCc1sccc1N(C)c2ccc(c(c2)O)C 82ad3207d1cb61548b140d7fef153b08 [0,0,1,0,0,0|3,0,0]=4 64 B18R2.20667 Cc1ccc(cc1O)N(C)c2ccsc2CO 606bf316385633ed4084ccc29ffd4691 [0,0,1,0,0,0|3,0,0]=4 65 B17R2.91 CCCc1sccc1Nc2cccc(c2)O 627b073eb995e95fb23161725a1d46f6 [1,0,1,0,0,0|2,0,0]=4 66 B17R2.1295 CCc1sccc1Nc2ccc(c(c2)O)C a42620cc35e054944ba7d075b29007fd [1,0,1,0,0,0|2,0,0]=4 67 B17R2.1295 CCc1sccc1Nc2ccc(c(c2)O)F 017dde56fd52a2b4b7b08fddca6ab61a [1,0,1,0,0,0|2,0,0]=4 68 B17R2.1295 CSc1sccc1Nc2ccc(c(c2)O)O 67bc6fdc22db8e628f81495974463097 [1,0,1,0,0,0|2,0,0]=4 69 B17R2.1295 OCc1sccc1Nc2ccc(c(c2)O)O 2b79e3bf06d78d3f086afa92d6782798 [1,0,1,0,0,0|2,0,0]=4 70 B17R2.3195 CCCc1sccc1Nc2ccc(cc2)O 71fda343e7911ced4daeaf6157ba8024 [1,0,1,0,0,0|2,0,0]=4 71 B17R2.346 Brc1ccc(cc1)CCNCc2ccc[nH]2 3229834cef409a2c183ac1e986d189c8 [1,0,1,0,0,0|2,0,0]=4 72 B17R2.346 Brc1ccc(cc1)CCNCc2ccco2 c25b572d5d0b818087729dd95afbc930 [1,0,1,0,0,0|1,1,0]=4 73 B17R2.346 Brc1ccc(cc1)CCNCc2cccs2 43dd79c31f32fbbe145f484e0481993d [1,0,1,0,0,0|1,0,0]=3 74 B17R2.346 Brc1ccc(cc1)CCNCc2ccns2 bff0b292a9bef64a9de7aa244505010a [1,0,1,0,0,0|2,0,0]=4 75 B17R2.346 Brc1ccc(cc1)CCNCc2cncs2 74c05e44aa60745ed4a6e6ff7d1d8e78 [1,0,1,0,0,0|2,0,0]=4 76 B17R2.346 Brc1ccc(cc1)CCNCc2nccs2 81d0e05ee3b902760cb64b1ea2a42e94 [1,0,1,0,0,0|2,0,0]=4 77 B17R2.346 Brc1ccc(cc1)CCOCc2cccs2 1d9e7e709d420cfd9836b2ba810055f8 [1,0,1,0,0,0|2,0,0]=4 78 B17R2.346 Brc1ccc(cn1)CCNCc2cccs2 397789719390081e459e515db8014f8d [1,0,1,0,0,0|2,0,0]=4 79 B17R2.346 Brc1ccc(nc1)CCNCc2cccs2 e48105cd58abbc6b7982400bf21fe19b [1,0,1,0,0,0|2,0,0]=4 80 B17R2.346 Cc1ccc(cc1)CCNCc2ccc[nH]2 4f70bede52bd2ef5ef9cd6de43235cc2 [1,0,1,0,0,0|2,0,0]=4 81 B17R2.346 Cc1ccc(cc1)CCNCc2ccco2 e665f39ba4235a0e3b1a29eaf9f63732 [1,0,1,0,0,0|1,1,0]=4 82 B17R2.346 Cc1ccc(cc1)CCNCc2cccs2 a3df1a595782fe7d618a81e16e552739 [1,0,1,0,0,0|1,0,0]=3 83 B17R2.346 Cc1ccc(cc1)CCNCc2ccns2 efa9cfe42cf3ce4fc0fff592b0316646 [1,0,1,0,0,0|2,0,0]=4 84 B17R2.346 Cc1ccc(cc1)CCNCc2cncs2 a1842a3c57d975a3064e4dc75dac6095 [1,0,1,0,0,0|2,0,0]=4 85 B17R2.346 Cc1ccc(cc1)CCNCc2nccs2 e35aa8e3c6dd11013757a1c728d49a41 [1,0,1,0,0,0|2,0,0]=4 86 B17R2.346 Cc1ccc(cc1)CCOCc2cccs2 844bdd9cb91538888bb1d79d8ac9ce43 [1,0,1,0,0,0|2,0,0]=4 87 B17R2.346 Cc1ccc(cc1)SCNCc2cccs2 6c87b6b1d14b1237d5eaabac5e927601 [1,0,1,0,0,0|2,0,0]=4 88 B17R2.346 Cc1ccc(cn1)CCNCc2cccs2 c328a69d4aab7cdff9e34472e9c0fea7 [1,0,1,0,0,0|2,0,0]=4 89 B17R2.346 Clc1ccc(cc1)CCNCc2ccc[nH]2 0b654b2dab915f271867a2db9e655163 [1,0,1,0,0,0|2,0,0]=4 90 B17R2.346 Clc1ccc(cc1)CCNCc2ccco2 f7e7a7fe6612050308dddb361322920d [1,0,1,0,0,0|1,1,0]=4 91 B17R2.346 Clc1ccc(cc1)CCNCc2cccs2 72c0812e7aaf3ed253f5025c09e15f67 [1,0,1,0,0,0|1,0,0]=3 92 B17R2.346 Clc1ccc(cc1)CCNCc2ccns2 ee5dc2649271be05c6215a2e99021175 [1,0,1,0,0,0|2,0,0]=4 93 B17R2.346 Clc1ccc(cc1)CCNCc2cncs2 7eaa02033a3722da01102d57965541bf [1,0,1,0,0,0|2,0,0]=4 94 B17R2.346 Clc1ccc(cc1)CCNCc2nccs2 7a615b1f8d7338f558eb1134af5ab73e [1,0,1,0,0,0|2,0,0]=4 95 B17R2.346 Clc1ccc(cc1)CCOCc2cccs2 3cd9e5232b768dc6357727e89c040832 [1,0,1,0,0,0|2,0,0]=4 96 B17R2.346 Clc1ccc(cc1)SCNCc2cccs2 c7ec2780f0cda9fcfa3b9a0f94e7e483 [1,0,1,0,0,0|2,0,0]=4 97 B17R2.346 Clc1ccc(cn1)CCNCc2cccs2 d79589726dd537b72bfb8dcc85b87261 [1,0,1,0,0,0|2,0,0]=4 98 B17R2.346 Fc1ccc(cc1)CCNCc2ccc[nH]2 1c704fe535176541d985c5a8dc37c181 [1,0,1,0,0,0|2,0,0]=4 99 B17R2.346 Fc1ccc(cc1)CCNCc2ccco2 8fa998a03fd04408daa50c66800b686a [1,0,1,0,0,0|1,1,0]=4 100 B17R2.346 Fc1ccc(cc1)CCNCc2cccs2 3247a28f4e1015f5bb60f46d294b9bc3 [1,0,1,0,0,0|1,0,0]=3 101 B17R2.346 Fc1ccc(cc1)CCNCc2ccns2 d365a5b8bc05140dcf873cb5532a69d0 [1,0,1,0,0,0|2,0,0]=4 102 B17R2.346 Fc1ccc(cc1)CCNCc2cncs2 771deae71a1af2cde2dd8133cbdf9b5d [1,0,1,0,0,0|2,0,0]=4 103 B17R2.346 Fc1ccc(cc1)CCNCc2nccs2 f727a2383a16e1afedaa55aa16957cd7 [1,0,1,0,0,0|2,0,0]=4 104 B17R2.346 Fc1ccc(cc1)CCOCc2cccs2 ca1c4d5f4b85958f1ddcc59f09fdc7a9 [1,0,1,0,0,0|2,0,0]=4 105 B17R2.346 Ic1ccc(cc1)CCNCc2ccc[nH]2 3bea79c159d3f74182facaa943dc09f3 [1,0,1,0,0,0|2,0,0]=4 106 B17R2.346 Ic1ccc(cc1)CCNCc2ccco2 e3c3de87d84976e775fc3762f1ead1a0 [1,0,1,0,0,0|1,1,0]=4 107 B17R2.346 Ic1ccc(cc1)CCNCc2cccs2 50b7665d23227777b36df9b899d16df8 [1,0,1,0,0,0|1,0,0]=3 108 B17R2.346 Ic1ccc(cc1)CCNCc2ccns2 4efc43c73659a37b6ade72ad4cf0b511 [1,0,1,0,0,0|2,0,0]=4 109 B17R2.346 Ic1ccc(cc1)CCNCc2cncs2 63fd6178e103c465eebdb8f6cd7c7551 [1,0,1,0,0,0|2,0,0]=4 110 B17R2.346 Ic1ccc(cc1)CCNCc2nccs2 f867bb9f6eee8334dce0e2daa8446357 [1,0,1,0,0,0|2,0,0]=4 111 B17R2.346 Ic1ccc(cc1)CCOCc2cccs2 8149e0faaeb294ee1aeda490c194b672 [1,0,1,0,0,0|2,0,0]=4 112 B17R2.3366 Brc1cccc(c1)CCNCc2ccc[nH]2 d4d87440361ec5734b5460a3df48dfdd [1,0,1,0,0,0|2,0,0]=4 113 B17R2.3366 Brc1cccc(c1)CCNCc2ccco2 7bfada224ebfbc696705104ae33836e0 [1,0,1,0,0,0|1,1,0]=4 114 B17R2.3366 Brc1cccc(c1)CCNCc2cccs2 cd4ae03da3cdbc2bbd492dd1423b25dd [1,0,1,0,0,0|1,0,0]=3 115 B17R2.3366 Brc1cccc(c1)CCNCc2ccns2 daeba2e4b95a2324073cc46d83ef2c75 [1,0,1,0,0,0|2,0,0]=4 116 B17R2.3366 Brc1cccc(c1)CCNCc2cncs2 8da18ed8adbb7d2d51a6fe0695bf772d [1,0,1,0,0,0|2,0,0]=4 117 B17R2.3366 Brc1cccc(c1)CCNCc2nccs2 48e68165ac8d47aa77dd4a9d6f649598 [1,0,1,0,0,0|2,0,0]=4 118 B17R2.3366 Brc1cccc(c1)CCOCc2cccs2 2c9d0935d755d01329487ad206258ad3 [1,0,1,0,0,0|2,0,0]=4 119 B17R2.3366 Cc1cc(ccn1)CCNCc2cccs2 dd70051eb2ed39dfd1986d3c0d545332 [1,0,1,0,0,0|2,0,0]=4 120 B17R2.3366 Cc1cccc(c1)CCNCc2ccc[nH]2 cfbaa270eb70e0954ee0f3f8229edff1 [1,0,1,0,0,0|2,0,0]=4 121 B17R2.3366 Cc1cccc(c1)CCNCc2ccco2 3ef87569f0b339ed7ce2b42a89a2a97f [1,0,1,0,0,0|1,1,0]=4 122 B17R2.3366 Cc1cccc(c1)CCNCc2cccs2 fdffb93bcc613816012d02f2501247e2 [1,0,1,0,0,0|1,0,0]=3 123 B17R2.3366 Cc1cccc(c1)CCNCc2ccns2 faf5f9c8f1b1ccc5cba01c132888856b [1,0,1,0,0,0|2,0,0]=4 124 B17R2.3366 Cc1cccc(c1)CCNCc2cncs2 0f9ad576b59acb50e05e138bb82cf472 [1,0,1,0,0,0|2,0,0]=4 125 B17R2.3366 Cc1cccc(c1)CCNCc2nccs2 69acc52a5670fa8843e2d3c15f144ce2 [1,0,1,0,0,0|2,0,0]=4 126 B17R2.3366 Cc1cccc(c1)CCOCc2cccs2 c972099716d7b0d2582652d02f0d528d [1,0,1,0,0,0|2,0,0]=4 127 B17R2.3366 Cc1cccc(n1)CCNCc2cccs2 e323f70b43ab8b7ad1ed8d765c4c4680 [1,0,1,0,0,0|2,0,0]=4 128 B17R2.3366 Clc1cccc(c1)CCNCc2ccc[nH]2 5feca1bc05723fc6c5d77f370ae81a4f [1,0,1,0,0,0|2,0,0]=4 129 B17R2.3366 Clc1cccc(c1)CCNCc2ccco2 0cb07817fd7dbb6d6fabf99ddb046686 [1,0,1,0,0,0|1,1,0]=4 130 B17R2.3366 Clc1cccc(c1)CCNCc2cccs2 77d8bcca8d697e96eb77083cdc98045f [1,0,1,0,0,0|1,0,0]=3 131 B17R2.3366 Clc1cccc(c1)CCNCc2ccns2 26d3253f20e6c8dd1671730beea68450 [1,0,1,0,0,0|2,0,0]=4 132 B17R2.3366 Clc1cccc(c1)CCNCc2cncs2 7f1a6fc5922ec523490cbaeddffda8fc [1,0,1,0,0,0|2,0,0]=4 133 B17R2.3366 Clc1cccc(c1)CCNCc2nccs2 168b219d755b2fc6ed28f026e962ce25 [1,0,1,0,0,0|2,0,0]=4 134 B17R2.3366 Clc1cccc(c1)CCOCc2cccs2 35d9c9169900d9142d865f6742cf250b [1,0,1,0,0,0|2,0,0]=4 135 B17R2.3366 Fc1cccc(c1)CCNCc2ccc[nH]2 621d8e824e87ce08596d31ced8c9697b [1,0,1,0,0,0|2,0,0]=4 136 B17R2.3366 Fc1cccc(c1)CCNCc2ccco2 f7673eb4324fca169a89856925c2f207 [1,0,1,0,0,0|1,1,0]=4 137 B17R2.3366 Fc1cccc(c1)CCNCc2cccs2 101fc1dee80fafba3b7aeaefcb80b231 [1,0,1,0,0,0|1,0,0]=3 138 B17R2.3366 Fc1cccc(c1)CCNCc2ccns2 8101c0e3f25280b630eca249b9a1a6e9 [1,0,1,0,0,0|2,0,0]=4 139 B17R2.3366 Fc1cccc(c1)CCNCc2cncs2 9b1a43b994376fb2c1673574242b08c6 [1,0,1,0,0,0|2,0,0]=4 140 B17R2.3366 Fc1cccc(c1)CCNCc2nccs2 724cc3057d7008047d2222480b92fce9 [1,0,1,0,0,0|2,0,0]=4 141 B17R2.3366 Fc1cccc(c1)CCOCc2cccs2 0aac00482d375916bc62809318bb9f68 [1,0,1,0,0,0|2,0,0]=4 142 B17R2.3366 Fc1cncc(c1)CCNCc2cccs2 da7bac52fbecf66b494367feae5ee527 [1,0,1,0,0,0|2,0,0]=4 143 B17R2.3366 Ic1cccc(c1)CCNCc2ccco2 5d4e137af48939f746f1772ba57822ea [1,0,1,0,0,0|1,1,0]=4 144 B17R2.3366 Ic1cccc(c1)CCNCc2cccs2 2cbcc90300bb102eb221eed129623e4f [1,0,1,0,0,0|1,0,0]=3 145 B17R2.3366 Ic1cccc(c1)CCNCc2nccs2 5fd211b02513cf382b3b75a1f4b20416 [1,0,1,0,0,0|2,0,0]=4 146 B17R2.3366 Ic1cccc(c1)CCOCc2cccs2 6cba5f73d7df9a7055f0a21cd45d5f0e [1,0,1,0,0,0|2,0,0]=4 147 B17R2.7731 CCN(c1cccc(c1)O)c2ccsc2C 4a476cb700c0cfe6d57258ad4da1bb57 [1,0,1,0,0,0|2,0,0]=4 148 B17R2.21013 Cc1ccc(cc1O)N(C)c2ccsc2C 6bdeb71fe616a638ebc7623e513b3d16 [1,0,1,0,0,0|2,0,0]=4 149 B17R2.2824 CCc1sccc1N(C)c2cccc(c2)O baa90c88598431c25b8dad9a810cd7cd [1,0,1,0,0,0|2,0,0]=4 150 B17R2.2824 CN(c1cccc(c1)O)c2ccsc2CO 523321be12c974bada5e6e166f817f13 [1,0,1,0,0,0|2,0,0]=4 151 B17R2.3190 CCc1sccc1N(C)c2ccc(cc2)O 683dc4bac897ad1d174dc1a93663c6d3 [1,0,1,0,0,0|2,0,0]=4 152 B17R2.3190 CN(c1ccc(cc1)O)c2ccsc2CO bcf17306921a6ef85dfce2a509c03cb1 [1,0,1,0,0,0|2,0,0]=4 153 B17R2.6024 CCCN(c1ccsc1)c2cccc(c2)O 43fc1f6add7ff708db5881055babf132 [1,0,1,0,0,0|2,0,0]=4 154 B19R2.11984 CC(Cc1ccc(c(c1)Cl)Cl)NCc2cccs2 06287a1a9ccb8913e27bfb0a78dc25c2 [0,1,1,0,0,0|2,0,0]=4 155 B19R2.11984 Cc1cc(ccc1O)CC(=O)NCc2cccs2 58af7c235196f412c0bf0774de28d841 [0,1,1,0,0,0|1,0,1]=4 156 B19R2.11984 Cc1ccc(cc1O)CC(=O)NCc2cccs2 4814ed9a113aad8f1332672a140e5a6c [0,1,1,0,0,0|1,0,1]=4 157 B19R2.11984 O=C(Cc1ccc(c(c1)Br)O)NCc2cccs2 f1fdda6ee52427c3147633f91e335a9b [0,1,1,0,0,0|1,0,1]=4 158 B19R2.11984 O=C(Cc1ccc(c(c1)Cl)O)NCc2cccs2 9ca1ae66f9f0a4a729afce67c1368a74 [0,1,1,0,0,0|1,0,1]=4 159 B19R2.11984 O=C(Cc1ccc(c(c1)F)O)NCc2cccs2 cd6be3feacf92455f6081686f27cb32d [0,1,1,0,0,0|1,0,1]=4 160 B19R2.11984 O=C(Cc1ccc(c(c1)I)O)NCc2cccs2 29c1e4eddb3fb75fbf059886a56f5dde [0,1,1,0,0,0|1,0,1]=4 161 B19R2.11984 O=C(Cc1ccc(c(c1)O)Cl)NCc2cccs2 4bae0899dc7713cb486c498d1e4f0a6b [0,1,1,0,0,0|1,0,1]=4 162 B19R2.11984 O=C(Cc1ccc(c(c1)O)F)NCc2cccs2 77c46e8c33fc3cd23f1703e876fbfd64 [0,1,1,0,0,0|1,0,1]=4 163 B19R2.11984 O=C(Cc1ccc(c(c1)O)O)NCc2ccco2 b420ae11349ca862b7e303acac74ab6d [0,1,1,0,0,0|0,1,1]=4 164 B19R2.11984 O=C(Cc1ccc(c(c1)O)O)NCc2cccs2 9e1b308a6c77cfc4bb8b81ac0f33f48a [0,1,1,0,0,0|0,0,1]=3 165 B19R2.11984 O=C(Cc1ccc(c(c1)O)O)NCc2ccns2 7b072a095817c28ddaaa4fcb8e62308a [0,1,1,0,0,0|1,0,1]=4 166 B19R2.11984 O=C(Cc1ccc(c(c1)O)O)NCc2cncs2 2d863994ed31e332563e309ae833ab69 [0,1,1,0,0,0|1,0,1]=4 167 B19R2.11984 O=C(Cc1ccc(c(c1)O)O)NCc2nccs2 1a55f09bef436eec7a5fe1528092e15d [0,1,1,0,0,0|1,0,1]=4 168 B19R2.11984 O=C(NCc1cccs1)Nc2ccc(c(c2)O)O 67a91070cdb5284cfe01420694f04184 [0,1,1,0,0,0|1,0,1]=4 169 B19R2.11984 Oc1ccc(cc1O)NC(=S)NCc2cccs2 0544b7b89ed49543754db4f313741e6c [0,1,1,0,0,0|1,0,1]=4 170 B19R2.12035 CC(NCCc1ccc(c(c1)F)F)c2cccs2 67f503ce5706a9979ab781f3ca67022c [0,1,1,0,0,0|2,0,0]=4 171 B19R2.12035 CC(OCCc1ccc(c(c1)O)O)c2ccco2 2d269b8fba0a83461fc9fdad073f9d24 [0,1,1,0,0,0|1,1,0]=4 172 B19R2.12035 CC(OCCc1ccc(c(c1)O)O)c2cccs2 6392158b78d6b842eff5f165bd71d28b [0,1,1,0,0,0|1,0,0]=3 173 B19R2.12035 CC(OCCc1ccc(c(c1)O)O)c2cncs2 149c1fd20d4bb474f91f404aa1c6135a [0,1,1,0,0,0|2,0,0]=4 174 B19R2.12035 CC(OCCc1ccc(c(c1)O)O)c2nccs2 9a365356d0392a23b8b456ae54459e72 [0,1,1,0,0,0|2,0,0]=4 175 B19R2.12035 C[C@@H](NCCc1ccc(c(c1)F)F)c2cccs2 284fa3f6fcc53107d15f921478e780e3 [0,1,1,0,0,0|2,0,0]=4 176 B19R2.12035 C[C@@H](OCCc1ccc(c(c1)O)O)c2ccco2 e599032ae786808ce9837c502f40faeb [0,1,1,0,0,0|1,1,0]=4 177 B19R2.12035 C[C@@H](OCCc1ccc(c(c1)O)O)c2cccs2 68451168ae672bce3bce247ca1bbc630 [0,1,1,0,0,0|1,0,0]=3 178 B19R2.12035 C[C@@H](OCCc1ccc(c(c1)O)O)c2nccs2 d9df8cb0db71e75c290ce22e5dc09c6c [0,1,1,0,0,0|2,0,0]=4 179 B19R2.12035 C[C@H](NCCc1ccc(c(c1)F)F)c2cccs2 116357f8d36eec5bbe82fe1af4e0aa0d [0,1,1,0,0,0|2,0,0]=4 180 B19R2.12035 C[C@H](OCCc1ccc(c(c1)O)O)c2cccs2 312ce56f6841c211edac80feb6fd7d26 [0,1,1,0,0,0|1,0,0]=3 181 B19R2.12035 C[C@H](OCCc1ccc(c(c1)O)O)c2nccs2 a0ffe78f931ca4f22c65e74c1a149020 [0,1,1,0,0,0|2,0,0]=4 182 B19R2.12035 O=C(NCCc1ccc(c(c1)O)O)c2ccco2 887d124140a8452e3aa185f288313ac7 [0,1,1,0,0,0|0,1,1]=4 183 B19R2.12035 O=C(NCCc1ccc(c(c1)O)O)c2cccs2 fa5862250353f5b215794251e8e44c68 [0,1,1,0,0,0|0,0,1]=3 184 B19R2.12035 O=C(NCCc1ccc(c(c1)O)O)c2ccns2 47142750f1baac64fb3d522deaa3a4aa [0,1,1,0,0,0|1,0,1]=4 185 B19R2.12035 O=C(NCCc1ccc(c(c1)O)O)c2cncs2 79bd53d6b2a2747336225e2eff4a207c [0,1,1,0,0,0|1,0,1]=4 186 B19R2.12035 O=C(NCCc1ccc(c(c1)O)O)c2nccs2 5346ec79b735a3375038db0d941d518a [0,1,1,0,0,0|1,0,1]=4 187 B19R2.12037 CN(CCc1ccc(c(c1)F)F)Cc2cccs2 f5c578fbc73e8dfa86723854ca11b5ed [0,1,1,0,0,0|2,0,0]=4 188 B19R2.12037 O=C(CCc1ccc(c(c1)O)O)Nc2cccs2 93a44999be56b3a5cee0f2fb008e7349 [0,1,1,0,0,0|2,0,0]=4 189 B19R2.12397 O=C(COCc1cccs1)c2ccc(c(c2)O)O 6a615107f43ee3b69417b4216caf0d1b [0,1,1,0,0,0|1,0,1]=4 190 B19R2.12397 OC(CNCc1cccs1)c2ccc(c(c2)Cl)Cl 3e5632990b09668819721d8de3f91333 [0,1,1,0,0,0|2,0,0]=4 191 B19R2.19019 COc1ccc(cc1Br)CCNCc2ccco2 eff7c989c2a47927971b521030f3a8d6 [0,1,1,0,0,0|1,1,0]=4 192 B19R2.19019 COc1ccc(cc1Br)CCNCc2cccs2 270a8ea403e4d96a4507fb7bdd29e8a0 [0,1,1,0,0,0|1,0,0]=3 193 B19R2.19019 COc1ccc(cc1Br)CCNCc2nccs2 c8040ca21041b4c902c3aacefe1ca50d [0,1,1,0,0,0|2,0,0]=4 194 B19R2.19019 COc1ccc(cc1Br)CCOCc2cccs2 80a9d73fe7083e053c6995fa00a5ec88 [0,1,1,0,0,0|2,0,0]=4 195 B19R2.19019 COc1ccc(cc1C)CCOCc2cccs2 f5f13adf3428096689565c497593d625 [0,1,1,0,0,0|2,0,0]=4 196 B19R2.19019 COc1ccc(cc1Cl)CCNCc2ccco2 021db5ecd35e86ded582184c0c39e29e [0,1,1,0,0,0|1,1,0]=4 197 B19R2.19019 COc1ccc(cc1Cl)CCNCc2cccs2 1c7691501500ec194e7cb265670e6f06 [0,1,1,0,0,0|1,0,0]=3 198 B19R2.19019 COc1ccc(cc1Cl)CCNCc2nccs2 9711b0305f38ceaf600211a46a495d08 [0,1,1,0,0,0|2,0,0]=4 199 B19R2.19019 COc1ccc(cc1F)CCNCc2ccco2 8e1351777e5ce8bf0825fac4e6167fc6 [0,1,1,0,0,0|1,1,0]=4 200 B19R2.19019 COc1ccc(cc1F)CCNCc2cccs2 dda6be08f33b037dff2a65b999da7b55 [0,1,1,0,0,0|1,0,0]=3 201 B19R2.19019 COc1ccc(cc1F)CCNCc2nccs2 d42da8bec44885620da86945c62d0cce [0,1,1,0,0,0|2,0,0]=4 202 B19R2.19019 COc1ccc(cc1F)CCOCc2cccs2 c40447eb84d096f1c60f9e665da6d9f2 [0,1,1,0,0,0|2,0,0]=4 203 B19R2.21739 COc1cc(ccc1Br)CCNCc2ccco2 bb09f1d5a1243631f6d6faba9995ad64 [0,1,1,0,0,0|1,1,0]=4 204 B19R2.21739 COc1cc(ccc1Br)CCNCc2cccs2 b6e9023213d5cc370bc6d629c6e45408 [0,1,1,0,0,0|1,0,0]=3 205 B19R2.21739 COc1cc(ccc1Br)CCNCc2nccs2 4c39b49b4ab9a3ad198c0eabb0fbcc38 [0,1,1,0,0,0|2,0,0]=4 206 B19R2.21739 COc1cc(ccc1F)CCNCc2ccco2 33c5b9691bf47c5d90dd535342c07f86 [0,1,1,0,0,0|1,1,0]=4 207 B19R2.21739 COc1cc(ccc1F)CCNCc2cccs2 3a61fc4c51b9158f7a97dc51fd24b9b2 [0,1,1,0,0,0|1,0,0]=3 208 B19R2.21739 COc1cc(ccc1F)CCNCc2nccs2 96d436ef90eecd465b5e03652594b55c [0,1,1,0,0,0|2,0,0]=4 209 B19R2.21739 COc1cc(ccc1F)CCOCc2cccs2 9e155d5e39a80a3723bf84b4d96c130d [0,1,1,0,0,0|2,0,0]=4 210 B19R2.21739 COc1cc(ccc1O)CCCNc2cccs2 ae505c66ba1ed615f60e9808f4a020f2 [0,1,1,0,0,0|2,0,0]=4 211 B19R2.45219 Cc1cc(ccc1Br)CCNCc2cc(cs2)Br 11ae271fd9ac87c5c15c6ddca2f9cd5d [0,1,1,0,0,0|2,0,0]=4 212 B19R2.45219 Cc1cc(ccc1Br)CCNCc2ccc(s2)Br c4ba02a60e4093e30d116a36ab6f34fb [0,1,1,0,0,0|2,0,0]=4 213 B19R2.45219 Cc1cc(ccc1Br)CCNCc2ccc(s2)Cl 30aec79ababbbc2f7372dcf4df8228d9 [0,1,1,0,0,0|2,0,0]=4 214 B19R2.45219 Cc1ccc(cc1C)CCNCc2cc(cs2)Br 9cadb192124b2b4d64c35b6789035206 [0,1,1,0,0,0|2,0,0]=4 215 B19R2.45219 Cc1ccc(cc1C)CCNCc2ccc(s2)Br ba852bea6ed82ceec70d9690c985388c [0,1,1,0,0,0|2,0,0]=4 216 B19R2.45219 Cc1ccc(cc1C)CCNCc2ccc(s2)Cl 7dc0eef880e2946bd23c9bf4a236246c [0,1,1,0,0,0|2,0,0]=4 217 B19R2.45219 Cc1ccc(o1)COCCc2ccc(c(c2)O)O 2801fee3a485f3db2c35fbabc27ef05d [0,1,1,0,0,0|1,1,0]=4 218 B19R2.45219 Cc1ccc(s1)CNCCc2ccc(c(c2)Cl)Cl 11c56f7413ec59fd582c0615a5984178 [0,1,1,0,0,0|2,0,0]=4 219 B19R2.45219 Cc1ccc(s1)CNCCc2ccc(c(c2)Cl)F 9c1585504e26815aae9a2bd5c287efb8 [0,1,1,0,0,0|2,0,0]=4 220 B19R2.45219 Cc1ccc(s1)CNCCc2ccc(c(c2)F)F d67c874207079bfdf4615f4a47b5fe59 [0,1,1,0,0,0|2,0,0]=4 221 B19R2.45219 Cc1ccc(s1)COCCc2ccc(c(c2)O)O bd3f8ee2dbcd7b54cc78ffb955185d64 [0,1,1,0,0,0|1,0,0]=3 222 B19R2.45219 Cc1cnc(s1)COCCc2ccc(c(c2)O)O f2069562acc166524994f60d01d92b46 [0,1,1,0,0,0|2,0,0]=4 223 B19R2.45219 Cc1csc(c1)CNCCc2ccc(c(c2)Cl)Cl 25b13b9df61e6eca06c09db071c7cd89 [0,1,1,0,0,0|2,0,0]=4 224 B19R2.45219 Cc1csc(c1)CNCCc2ccc(c(c2)Cl)F 76de44325dd2fee45b873af6194f11fc [0,1,1,0,0,0|2,0,0]=4 225 B19R2.45219 Cc1csc(c1)CNCCc2ccc(c(c2)F)F 4f68c1d88b1c392b56542a714f58f2ac [0,1,1,0,0,0|2,0,0]=4 226 B19R2.45219 Cc1csc(c1)COCCc2ccc(c(c2)O)O fdc66bfa9e6a07fc764b9fde3f005ed7 [0,1,1,0,0,0|1,0,0]=3 227 B19R2.45219 Cc1csc(n1)COCCc2ccc(c(c2)O)O 62a0439ba54bfd87e0dc923bfdb08ad4 [0,1,1,0,0,0|2,0,0]=4 228 B19R2.45219 Cc1ncc(s1)COCCc2ccc(c(c2)O)O 377bc9639e2fc046c6a2dedb89b7d357 [0,1,1,0,0,0|2,0,0]=4 229 B19R2.45219 Clc1ccc(cc1Cl)CCNCc2cc(cs2)Br a28857e126438a2e20552d009bae4e95 [0,1,1,0,0,0|2,0,0]=4 230 B19R2.45219 Clc1ccc(cc1Cl)CCNCc2ccc(s2)Br fb4e8ee9560f46916870207b1bb87b8a [0,1,1,0,0,0|2,0,0]=4 231 B19R2.45219 Clc1ccc(s1)CNCCc2ccc(c(c2)Cl)Cl a7f3c6fa52e21e7b748213f6c4fef405 [0,1,1,0,0,0|2,0,0]=4 232 B19R2.45219 Clc1csc(c1)CNCCc2ccc(c(c2)Cl)Cl c21bbcd5d22570c170c46487c4ad1d77 [0,1,1,0,0,0|2,0,0]=4 233 B19R2.45219 Fc1cc(ccc1Cl)CCNCc2cc(cs2)Br a5b114d5572787afb84624fd039895a9 [0,1,1,0,0,0|2,0,0]=4 234 B19R2.45219 Fc1cc(ccc1Cl)CCNCc2ccc(s2)Br 90b8892e0357cec2bb27685a29900e11 [0,1,1,0,0,0|2,0,0]=4 235 B19R2.45219 Fc1cc(ccc1Cl)CCNCc2ccc(s2)Cl 69493a05cee6fa387e9be297af18cdd2 [0,1,1,0,0,0|2,0,0]=4 236 B19R2.45219 Fc1ccc(cc1Cl)CCNCc2cc(cs2)Br a398bd2a21e7c6921c053d761530782f [0,1,1,0,0,0|2,0,0]=4 237 B19R2.45219 Fc1ccc(cc1Cl)CCNCc2cc(cs2)Cl 7808ea68e962893371904fc5f3a97f5d [0,1,1,0,0,0|2,0,0]=4 238 B19R2.45219 Fc1ccc(cc1Cl)CCNCc2ccc(s2)Br d0e609fb8c4ff0a8dc27b6d75e4046ad [0,1,1,0,0,0|2,0,0]=4 239 B19R2.45219 Fc1ccc(cc1Cl)CCNCc2ccc(s2)Cl d17b4897759edab64c149d38ec4de4d2 [0,1,1,0,0,0|2,0,0]=4 240 B19R2.45219 Fc1ccc(cc1F)CCNCc2cc(cs2)Br 74c2fa4e32dfb7dee0689c18d673c961 [0,1,1,0,0,0|2,0,0]=4 241 B19R2.45219 Fc1ccc(cc1F)CCNCc2cc(cs2)Cl 14ca799bcbc3a8cffb9d1dc00b6e30af [0,1,1,0,0,0|2,0,0]=4 242 B19R2.45219 Fc1ccc(cc1F)CCNCc2ccc(s2)Br e527aeaa125db57a4b3c345917749b1a [0,1,1,0,0,0|2,0,0]=4 243 B19R2.45219 Fc1ccc(cc1F)CCNCc2ccc(s2)Cl e2f0347517995e9f0e6c2258839e1323 [0,1,1,0,0,0|2,0,0]=4 244 B19R2.45219 Fc1ccc(s1)CNCCc2ccc(c(c2)Cl)Cl 6d212f8743eb5676c9fdaaf419734632 [0,1,1,0,0,0|2,0,0]=4 245 B19R2.45219 Fc1ccc(s1)CNCCc2ccc(c(c2)Cl)F 08040c3f0c6111f3d974349fcffdf3db [0,1,1,0,0,0|2,0,0]=4 246 B19R2.45219 Fc1ccc(s1)CNCCc2ccc(c(c2)F)F 775026e729586bdf097e35bef287fdb6 [0,1,1,0,0,0|2,0,0]=4 247 B19R2.45219 Oc1ccc(cc1O)CCOCc2cc(co2)Br a04d47c18f5c3b5b69495f553cbdd73f [0,1,1,0,0,0|1,1,0]=4 248 B19R2.45219 Oc1ccc(cc1O)CCOCc2cc(cs2)Br d7a29739654e7883f6499fe7f204d23a [0,1,1,0,0,0|1,0,0]=3 249 B19R2.45219 Oc1ccc(cc1O)CCOCc2cc(cs2)Cl 250284b643b8da4e9b4f496f2002b349 [0,1,1,0,0,0|1,0,0]=3 250 B19R2.45219 Oc1ccc(cc1O)CCOCc2ccc(o2)Br 6b7c598e904e804c9754dc72393bacca [0,1,1,0,0,0|1,1,0]=4 251 B19R2.45219 Oc1ccc(cc1O)CCOCc2ccc(s2)Cl 8f15beb05c4b5897e8aac96cb79b0036 [0,1,1,0,0,0|1,0,0]=3 252 B19R2.45219 Oc1ccc(cc1O)CCOCc2ccc(s2)F 6abf1ea8ca45d27796322d41b8cea8e4 [0,1,1,0,0,0|1,0,0]=3 253 B19R2.45219 Oc1ccc(cc1O)CCOCc2cnc(s2)Br f5e8d53b0a147cc827b5d7ea6320d242 [0,1,1,0,0,0|2,0,0]=4 254 B19R2.45219 Oc1ccc(cc1O)CCOCc2cnc(s2)Cl 53a8460c9d336c6550c7eac1feabbb46 [0,1,1,0,0,0|2,0,0]=4 255 B19R2.45219 Oc1ccc(cc1O)CCOCc2ncc(s2)Br 123c0d598eaa1edcfc0e9fc77963fe0e [0,1,1,0,0,0|2,0,0]=4 256 B19R2.45219 Oc1ccc(cc1O)CCOCc2ncc(s2)Cl 747cbf906bb595add018ed5c4226fddd [0,1,1,0,0,0|2,0,0]=4 257 B19R2.51720 Cc1ccoc1COCCc2ccc(c(c2)O)O 55348bfe8a63bd212e5d331c7f6d37e7 [0,1,1,0,0,0|1,1,0]=4 258 B19R2.51720 Cc1ccsc1COCCc2ccc(c(c2)O)O 2adc6b50ca737f89165410c904d6139d [0,1,1,0,0,0|1,0,0]=3 259 B19R2.51720 Cc1ncsc1COCCc2ccc(c(c2)O)O 32cefd0e8ca3c5e3baeb998e0b9bfb17 [0,1,1,0,0,0|2,0,0]=4 260 B19R2.51720 Clc1ccc(cc1Cl)CCNCc2sccc2Br ce548fb2969dccfd7f2a164ea1fd76bd [0,1,1,0,0,0|2,0,0]=4 261 B19R2.51720 Clc1ccc(cc1Cl)CCNCc2sccc2Cl 9dbbdda978c01ca9069c43d636a9cfcd [0,1,1,0,0,0|2,0,0]=4 262 B19R2.51720 Cn1cccc1COCCc2ccc(c(c2)O)O 6784088d20a5db45b196714775c13dd3 [0,1,1,0,0,0|2,0,0]=4 263 B19R2.51720 Fc1ccc(cc1Cl)CCNCc2sccc2Br 039dcc7b4e41af7e47e42d8c1824efdc [0,1,1,0,0,0|2,0,0]=4 264 B19R2.51720 Fc1ccc(cc1Cl)CCNCc2sccc2Cl 701dd6333b199e6f70a1ca1428fba5e6 [0,1,1,0,0,0|2,0,0]=4 265 B19R2.51720 Fc1ccc(cc1Cl)CCNCc2sccc2F e68e7207ac987da8600397f46844f71a [0,1,1,0,0,0|2,0,0]=4 266 B19R2.51720 Fc1ccc(cc1F)CCNCc2sccc2Br 636810b207a8c5b9da78fc12b8c6b8f3 [0,1,1,0,0,0|2,0,0]=4 267 B19R2.51720 Fc1ccc(cc1F)CCNCc2sccc2Cl 580178b1c2f924e050360b48c5822bdc [0,1,1,0,0,0|2,0,0]=4 268 B19R2.51720 Fc1ccc(cc1F)CCNCc2sccc2F d629828d81a7d77a9fbb6615ec8660e5 [0,1,1,0,0,0|2,0,0]=4 269 B19R2.51720 Fc1ccsc1CNCCc2ccc(c(c2)Cl)Cl 97c9c1b006a7a7ef716fe2f73030bfb2 [0,1,1,0,0,0|2,0,0]=4 270 B19R2.51720 Oc1ccc(cc1O)CCOCc2occc2Br 94f6c0f92680836718c4ed2effdb77d1 [0,1,1,0,0,0|1,1,0]=4 271 B19R2.51720 Oc1ccc(cc1O)CCOCc2sccc2Cl 3f14fa58df1ee8b1f3e345f80488da17 [0,1,1,0,0,0|1,0,0]=3 272 B19R2.51720 Oc1ccc(cc1O)CCOCc2sccc2F 6f9ce517733fc93060e14c7e732d43cf [0,1,1,0,0,0|1,0,0]=3 273 B19R2.51720 Oc1ccc(cc1O)CCOCc2scnc2Br 502327ad84e2484aa913b4078987c759 [0,1,1,0,0,0|2,0,0]=4 274 B19R2.51720 Oc1ccc(cc1O)CCOCc2scnc2Cl b8e772dd5e22e82847914da3580903ab [0,1,1,0,0,0|2,0,0]=4 275 B19R2.51720 Oc1ccc(cc1O)CCOCc2sncc2Br 3e20e24e0b0c65ecb821627e1d437e4b [0,1,1,0,0,0|2,0,0]=4 276 B19R2.103126 Fc1ccc(c(c1F)F)CCNCc2cccs2 b8a35b3bc24de681619f9b68a512291f [0,1,1,0,0,0|2,0,0]=4 277 B19R2.867525 Fc1cc(cc(c1F)F)CCNCc2cccs2 2ef74bb49c07910f2f91e963563fa668 [0,1,1,0,0,0|2,0,0]=4 278 B19R2.964435 Fc1cc(c(cc1F)CCNCc2cccs2)F e31795e5512e98cdbd4ab28f9064f0e7 [0,1,1,0,0,0|2,0,0]=4 279 B17R1.10852 C/C=C/C=C/COCCc1ccc(c(c1)O)O 8802eff8dc360ce7dadac102953ae852 [0,0,2,0,0,0|2,0,0]=4 280 B17R1.10852 CC=CC=CCOCCc1ccc(c(c1)O)O ad1cab19b2e2e139d4df31cb97a28eb9 [0,0,2,0,0,0|2,0,0]=4 281 B19R3.70399 Cc1cc2c(cc1Br)CCN2Cc3cccs3 a0976ab3b09e2540d0f7e7a925f7d06d [0,0,1,1,0,0|2,0,0]=4 282 B19R3.70399 Cc1cc2c(cc1Br)N(CC2)Cc3cccs3 be6f01f6277542813230e37f71b57cd5 [0,0,1,1,0,0|2,0,0]=4 283 B19R3.70399 Cc1cc2c(cc1Cl)N(CC2)Cc3cccs3 58c74e4e6737bdd5052943c325d7fd4c [0,0,1,1,0,0|2,0,0]=4 284 B19R3.70399 Cc1cc2c(cc1F)CCN2Cc3cccs3 eb496b65aba635338a544d97c9348b30 [0,0,1,1,0,0|2,0,0]=4 285 B19R3.70399 Cc1cc2c(cc1F)N(CC2)Cc3cccs3 5769db985663d8d00e8460d674a401a1 [0,0,1,1,0,0|2,0,0]=4 286 B19R3.70399 Clc1cc2c(cc1Br)CCN2Cc3cccs3 1005466f9dce83f19dda8beffb8d9b5a [0,0,1,1,0,0|2,0,0]=4 287 B19R3.70399 Clc1cc2c(cc1Br)N(CC2)Cc3cccs3 2930a98130393466c5237a3931280349 [0,0,1,1,0,0|2,0,0]=4 288 B19R3.70399 Clc1cc2c(cc1Cl)N(CC2)Cc3cccs3 80b676e3573ee0ed0609bd629df729d8 [0,0,1,1,0,0|2,0,0]=4 289 B19R3.70399 Fc1cc2c(cc1Cl)N(CC2)Cc3cccs3 9684f108d935ba0d955ce6cc48fd19c0 [0,0,1,1,0,0|2,0,0]=4 290 B19R3.70399 Fc1cc2c(cc1F)N(CC2)Cc3cccs3 f75f94885e61d02cb13dce81c163cd92 [0,0,1,1,0,0|2,0,0]=4 291 B19R3.90758 Fc1c(ccc2c1N(CC2)Cc3cccs3)Br 307366db1692dbf2701ad6daf62868a4 [0,0,1,1,0,0|2,0,0]=4 292 B19R3.90758 Fc1ccc2c(c1F)N(CC2)Cc3cccs3 a1add31577e8545dad92075b2d179fd2 [0,0,1,1,0,0|2,0,0]=4 293 B17R2.339 Brc1cc(ccc1I)CNCc2cccs2 3edb455ca3bff9dc486f9fe59c53174b [0,0,1,0,1,0|2,0,0]=4 294 B17R2.339 Brc1ccc(cc1Br)CNCc2cccs2 4330f3dd629f3d4a12eecae62963340c [0,0,1,0,1,0|2,0,0]=4 295 B17R2.339 Brc1ccc(cc1I)CNCc2cccs2 94584716f3a18fdb24fccf9c96535347 [0,0,1,0,1,0|2,0,0]=4 296 B17R2.339 Cc1cc(ccc1Br)CNCc2cccs2 a9d4d6d83b0c6cc4136404c450be4043 [0,0,1,0,1,0|2,0,0]=4 297 B17R2.339 Cc1cc(ccc1Cl)CNCc2cccs2 63430162800373e003176a3b21355e0a [0,0,1,0,1,0|2,0,0]=4 298 B17R2.339 Cc1cc(ccc1F)CNCc2cccs2 ead19c80fb7f2ac5803f80e293b7364a [0,0,1,0,1,0|2,0,0]=4 299 B17R2.339 Cc1cc(ccc1I)CNCc2cccs2 2415cb2a68622e9ad1f0698e1114d5f6 [0,0,1,0,1,0|2,0,0]=4 300 B17R2.339 Cc1ccc(cc1Br)CNCc2cccs2 0b0664d04f53624cd9ae0804f6f12409 [0,0,1,0,1,0|2,0,0]=4 301 B17R2.339 Cc1ccc(cc1C)CCNc2cccs2 4e0e1630cfdfaa336b8429ef1a30f6b4 [0,0,1,0,1,0|2,0,0]=4 302 B17R2.339 Cc1ccc(cc1C)CNCc2cccs2 438c688c7f5a98015750c061635be918 [0,0,1,0,1,0|2,0,0]=4 303 B17R2.339 Cc1ccc(cc1Cl)CNCc2cccs2 aab1cadebffe44a799bb254563aa039b [0,0,1,0,1,0|2,0,0]=4 304 B17R2.339 Cc1ccc(cc1F)CNCc2cccs2 233a2675b6d3580de1d23e69f1e0b685 [0,0,1,0,1,0|2,0,0]=4 305 B17R2.339 Cc1ccc(cc1I)CNCc2cccs2 b61b2989bcfe0ca07a7c4167a4f0a216 [0,0,1,0,1,0|2,0,0]=4 306 B17R2.339 Clc1cc(ccc1Br)CNCc2cccs2 b5e3b0b8cd9dbec98e75df8a57cc0280 [0,0,1,0,1,0|2,0,0]=4 307 B17R2.339 Clc1cc(ccc1I)CNCc2cccs2 04119dae61b7029f0fbc4ad1560e9559 [0,0,1,0,1,0|2,0,0]=4 308 B17R2.339 Clc1ccc(cc1Br)CNCc2cccs2 83f276bc9f9d99952311e79e254d8824 [0,0,1,0,1,0|2,0,0]=4 309 B17R2.339 Clc1ccc(cc1Cl)CCNc2cccs2 e2d51e5cbeaddbcb0a277877cfe6af06 [0,0,1,0,1,0|2,0,0]=4 310 B17R2.339 Clc1ccc(cc1Cl)CNCc2cccs2 696a230cbb98aa1bf4200e05ae742770 [0,0,1,0,1,0|2,0,0]=4 311 B17R2.339 Clc1ccc(cc1I)CNCc2cccs2 93cf0cbeb6953578ca6ced69981ca80c [0,0,1,0,1,0|2,0,0]=4 312 B17R2.339 Fc1cc(ccc1Br)CNCc2cccs2 669c36b73e6d35844dfcf3d788f815c6 [0,0,1,0,1,0|2,0,0]=4 313 B17R2.339 Fc1cc(ccc1Cl)CNCc2cccs2 11eaeb921a395494137dfc6dbe74f52a [0,0,1,0,1,0|2,0,0]=4 314 B17R2.339 Fc1cc(ccc1I)CNCc2cccs2 84ff8bc9cf05a9ed9bac0892b912515b [0,0,1,0,1,0|2,0,0]=4 315 B17R2.339 Fc1ccc(cc1Br)CNCc2cccs2 83419dbf46ce15118e561b9ec8d712cc [0,0,1,0,1,0|2,0,0]=4 316 B17R2.339 Fc1ccc(cc1Cl)CCNc2cccs2 3c43a46ffaeb3d5ce1daeea626c4479c [0,0,1,0,1,0|2,0,0]=4 317 B17R2.339 Fc1ccc(cc1Cl)CNCc2cccs2 ec08a0658bf2fac4e58adfe9379518ed [0,0,1,0,1,0|2,0,0]=4 318 B17R2.339 Fc1ccc(cc1F)CCNc2cccs2 dd10fed0fd8661b9c6eb9b4e2e5b6f07 [0,0,1,0,1,0|2,0,0]=4 319 B17R2.339 Fc1ccc(cc1F)CNCc2cccs2 8147db1dbe92cc104dd46e4c19d12db9 [0,0,1,0,1,0|2,0,0]=4 320 B17R2.339 Fc1ccc(cc1I)CNCc2cccs2 70db13e7d3af0653891cfd46f8b79c5a [0,0,1,0,1,0|2,0,0]=4 321 B17R2.339 Oc1ccc(cc1O)CCNc2c[nH]cn2 bc41ee53a9a00f00b94259abdd2237db [0,0,1,0,1,0|2,0,0]=4 322 B17R2.339 Oc1ccc(cc1O)CCNc2cc[nH]n2 f41282a60fd20f738e28b797b2856c0d [0,0,1,0,1,0|2,0,0]=4 323 B17R2.339 Oc1ccc(cc1O)CCNc2ccco2 b1e2f521615bc5d57e55699738ede9bd [0,0,1,0,1,0|0,1,0]=3 324 B17R2.339 Oc1ccc(cc1O)CCNc2cccs2 df838476a74846a0e70791ce17d8a839 [0,0,1,0,1,0|0,0,0]=2 325 B17R2.339 Oc1ccc(cc1O)CCNc2ccno2 7503147bb0f4e5e774fbbd7ea919f008 [0,0,1,0,1,0|1,1,0]=4 326 B17R2.339 Oc1ccc(cc1O)CCNc2ccns2 691729a442680df509c1807622fba690 [0,0,1,0,1,0|1,0,0]=3 327 B17R2.339 Oc1ccc(cc1O)CCNc2ccoc2 d1356ca3acc1f037314c23114d3b33b1 [0,0,1,0,1,0|2,0,0]=4 328 B17R2.339 Oc1ccc(cc1O)CCNc2ccon2 8b43c1db0baf9b7fb14dd3cb1a20d9f8 [0,0,1,0,1,0|2,0,0]=4 329 B17R2.339 Oc1ccc(cc1O)CCNc2ccsc2 68b89da598f5df83bd2f00e58e4959f4 [0,0,1,0,1,0|2,0,0]=4 330 B17R2.339 Oc1ccc(cc1O)CCNc2cncs2 ed99ca6296ae66325be53502e9030baf [0,0,1,0,1,0|1,0,0]=3 331 B17R2.339 Oc1ccc(cc1O)CCNc2ncc[nH]2 c294d64adf385151d1d5920697920521 [0,0,1,0,1,0|2,0,0]=4 332 B17R2.339 Oc1ccc(cc1O)CCNc2ncco2 d3d479eec6f2729053b92712944e2514 [0,0,1,0,1,0|1,1,0]=4 333 B17R2.339 Oc1ccc(cc1O)CCNc2nccs2 a6b038d3f89fb21501eceb312823a398 [0,0,1,0,1,0|1,0,0]=3 334 B17R2.339 Oc1ccc(cc1O)CCOc2ccco2 413ea4aed6e58de669628e583c6e5146 [0,0,1,0,1,0|1,1,0]=4 335 B17R2.339 Oc1ccc(cc1O)CCOc2cccs2 0cd21561b2558e38066c52d495e27c99 [0,0,1,0,1,0|1,0,0]=3 336 B17R2.339 Oc1ccc(cc1O)CCOc2nccs2 a2d6d887bad471a3b64379350a9dc11f [0,0,1,0,1,0|2,0,0]=4 337 B17R2.339 Oc1ccc(cc1O)NCCc2ccc[nH]2 d808b68d0edef51f5cdf802dc82aa63d [0,0,1,0,1,0|2,0,0]=4 338 B19R2.67031 CCCc1sccc1NCc2ccc(c(c2)O)C 81bb8cd25a46c6b64fdb928ec3b936a1 [0,0,1,0,0,1|2,0,0]=4 339 B19R2.11839 Oc1ccc(cc1O)CCOCc2ccccc2 5e21b8b033fa5c5c5e1cff50ddce45a3 [0,0,1,0,0,1|2,0,0]=4 340 B19R2.11839 Oc1ccc(cc1O)CCOCc2ccccn2 828d6ea3a8f2c6e01df1281e203c7e59 [0,0,1,0,0,1|2,0,0]=4 341 B19R2.11839 Oc1ccc(cc1O)CCOCc2cccnc2 c5bc8a06fedf49040b97d995107324ee [0,0,1,0,0,1|2,0,0]=4 342 B19R2.11839 Oc1ccc(cc1O)CCOCc2cccnn2 8b6b2a60efa760e38056071f8f2901e9 [0,0,1,0,0,1|2,0,0]=4 343 B19R2.11839 Oc1ccc(cc1O)CCOCc2ccncc2 435dcbf98795e07da1e909c6a47f02d3 [0,0,1,0,0,1|2,0,0]=4 344 B19R2.11839 Oc1ccc(cc1O)CCOCc2ccncn2 be3784cfb12d5f1e5ca01a9cc44814ed [0,0,1,0,0,1|2,0,0]=4 345 B19R2.11839 Oc1ccc(cc1O)CCOCc2cnccn2 b18c9c2c08047c24b3aed9103ac5f7fa [0,0,1,0,0,1|2,0,0]=4 346 B19R2.11839 Oc1ccc(cc1O)CCOCc2ncccn2 c9eeda57f7d41832b6ba28913896ec1c [0,0,1,0,0,1|2,0,0]=4 347 B19R2.12036 Cc1cc(ccc1Br)CCNCCc2cccs2 b019dddc4d71f74698d356a23c054e41 [0,0,1,0,0,1|2,0,0]=4 348 B19R2.12036 Cc1cc(ccc1Cl)OCCNCc2cccs2 709159a1c71740bc853556ea976082d8 [0,0,1,0,0,1|2,0,0]=4 349 B19R2.12036 Cc1ccc(cc1C)CCCNCc2cccs2 572c030e68d8e6c3d3f11ff97b8c5c29 [0,0,1,0,0,1|2,0,0]=4 350 B19R2.12036 Cc1ccc(cc1C)CCNCCc2cccs2 dde47d10e3ba0f7f24b7d1594011ea2a [0,0,1,0,0,1|2,0,0]=4 351 B19R2.12036 Cc1ccc(cc1C)OCCNCc2cccs2 989eb50a96853b687979c2c0bc89c299 [0,0,1,0,0,1|2,0,0]=4 352 B19R2.12036 Cc1ccc(cc1Cl)OCCNCc2cccs2 2452348b8197a739effedaa6f4bc6447 [0,0,1,0,0,1|2,0,0]=4 353 B19R2.12036 Clc1cc(ccc1Br)OCCNCc2cccs2 380e9cc9f8eb9946981c631c64c68b70 [0,0,1,0,0,1|2,0,0]=4 354 B19R2.12036 Clc1ccc(cc1Cl)CCCNCc2cccs2 06660ef3ff2d1d6c125bb5e859796292 [0,0,1,0,0,1|2,0,0]=4 355 B19R2.12036 Clc1ccc(cc1Cl)CCNCCc2cccs2 555f1680959973b3510c7b26abf1f525 [0,0,1,0,0,1|2,0,0]=4 356 B19R2.12036 Clc1ccc(cc1Cl)OCCNCc2cccs2 fa1412397e1075f31f95c42e5241d335 [0,0,1,0,0,1|2,0,0]=4 357 B19R2.12036 Fc1cc(ccc1Br)OCCNCc2cccs2 3d242d3dd0a0d9540df708a180dc4069 [0,0,1,0,0,1|2,0,0]=4 358 B19R2.12036 Fc1cc(ccc1Cl)CCCNCc2cccs2 0d414323940410a1f360a30d370830f6 [0,0,1,0,0,1|2,0,0]=4 359 B19R2.12036 Fc1cc(ccc1Cl)CCNCCc2cccs2 bfe76fdbe0a21b6c1f1f3710db43036a [0,0,1,0,0,1|2,0,0]=4 360 B19R2.12036 Fc1cc(ccc1Cl)OCCNCc2cccs2 77bbc48a0ca169acf50fa4567c3a9073 [0,0,1,0,0,1|2,0,0]=4 361 B19R2.12036 Fc1ccc(cc1Cl)CCNCCc2cccs2 697815bce1c5c38a6b8b39e504068d3a [0,0,1,0,0,1|2,0,0]=4 362 B19R2.12036 Fc1ccc(cc1Cl)OCCNCc2cccs2 b42fd9f9ba5aaa1bc9b14b98c5abd722 [0,0,1,0,0,1|2,0,0]=4 363 B19R2.12036 Fc1ccc(cc1F)CCCNCc2cccs2 213964a1469ae4116119506d1684b69e [0,0,1,0,0,1|2,0,0]=4 364 B19R2.12036 Fc1ccc(cc1F)CCNCCc2cccs2 06c214e3e2df2e52c95d062322a71db9 [0,0,1,0,0,1|2,0,0]=4 365 B19R2.12036 Oc1ccc(cc1O)CCOCCc2ccc[nH]2 526809ee5677f23cb50de2151e40eea7 [0,0,1,0,0,1|2,0,0]=4 366 B19R2.12036 Oc1ccc(cc1O)CCOCCc2ccco2 f16f6c8ceb5e8b432c01a7c847385b39 [0,0,1,0,0,1|1,1,0]=4 367 B19R2.12036 Oc1ccc(cc1O)CCOCCc2cccs2 c51f57cd3c03d3f4e455c44e72717940 [0,0,1,0,0,1|1,0,0]=3 368 B19R2.12036 Oc1ccc(cc1O)CCOCCc2nccs2 a68cf8af5ba34546defff415f468e214 [0,0,1,0,0,1|2,0,0]=4 369 B19R2.12036 Oc1ccc(cc1O)NCCSCc2ccco2 462699de264bbd5f6e25664da16498ca [0,0,1,0,0,1|1,1,0]=4 370 B21R3.835 Oc1ccc(cc1O)NC2CCCc3c2nccn3 56bde9e7ad4d5c1e8c8cc5e099b8ced6 [0,0,0,0,0,2|2,0,0]=4