0 B17R3.127913 c1cc(c2[nH]ccc2c1)CNCC3CC3 e1b970b35b6131e55729487853c4d38a [0,0,0,0,0,0|1,0,0]=1 1 B17R3.127913 c1cc(c2[nH]ccc2c1)COCC3CC3 e49884956247a0705730dd7f71a44352 [0,0,0,0,0,0|2,0,0]=2 2 B17R3.127913 c1cc(c2[nH]ccc2c1)NCCC3CC3 d0a25ca8ace450a68ed7e3c4a5195ed3 [0,0,0,0,0,0|3,0,0]=3 3 B17R3.127913 c1cc(c2[nH]ccc2c1)OCCC3CC3 f7fbe9d02448810090be7b86e76f5e92 [0,0,0,0,0,0|3,0,0]=3 4 B17R3.127913 c1cc(c2[nH]ccc2n1)NCCC3CC3 1d1c3c50fbb0294c95912fee0e8ced13 [0,0,0,0,0,0|4,0,0]=4 5 B17R3.127913 c1cc(c2[nH]ncc2c1)CNCC3CC3 7e15cbe03ca9f92862fa45296dc0df90 [0,0,0,0,0,0|2,0,0]=2 6 B17R3.127913 c1cc(c2[nH]ncc2c1)COCC3CC3 67be33d77de39ad8a5d446e68171cfad [0,0,0,0,0,0|3,0,0]=3 7 B17R3.127913 c1cc(c2[nH]ncc2c1)NCCC3CC3 5c6d84a7a7723a4a76c7eca66b3fad2e [0,0,0,0,0,0|4,0,0]=4 8 B17R3.127913 c1cc(c2[nH]ncc2c1)OCCC3CC3 2dc2077e7e7010152da22dfafa5a774e [0,0,0,0,0,0|4,0,0]=4 9 B17R3.127913 c1cc(c2[nH]nnc2c1)COCC3CC3 b1bdad7a5789868a958070472a137d94 [0,0,0,0,0,0|4,0,0]=4 10 B17R3.127913 c1cc(c2c(c1)OCC2)CNCC3CC3 7164ccd766f252add81bf07a38c8f5b1 [0,0,0,0,0,0|2,0,1]=3 11 B17R3.127913 c1cc(c2c(c1)OCC2)COCC3CC3 8ef98610255af8b184ecbbdcc9043e89 [0,0,0,0,0,0|3,0,1]=4 12 B17R3.127913 c1cc(c2cc[nH]c2c1)CCNC3CC3 d60348e767b613ce7401b23c94946bd4 [0,0,0,0,0,0|4,0,0]=4 13 B17R3.127913 c1cc(c2cc[nH]c2c1)CNCC3CC3 7a987e6e9f4f7a17bc7d1ae62b45f506 [0,0,0,0,0,0|2,0,0]=2 14 B17R3.127913 c1cc(c2cc[nH]c2c1)COCC3CC3 a4daf65085c09d76e95ef0a0c298793d [0,0,0,0,0,0|3,0,0]=3 15 B17R3.127913 c1cc(c2cc[nH]c2c1)NCCC3CC3 202e68d3054d314ef0289733a97b9df0 [0,0,0,0,0,0|4,0,0]=4 16 B17R3.127913 c1cc(c2cc[nH]c2c1)OCCC3CC3 8fe1c5b6a3ea4adf9938a8977c41aae4 [0,0,0,0,0,0|4,0,0]=4 17 B17R3.127913 c1cc(c2cc[nH]c2n1)CNCC3CC3 4bac8fb21601bb908b3add3f4943ed1f [0,0,0,0,0,0|3,0,0]=3 18 B17R3.127913 c1cc(c2cc[nH]c2n1)COCC3CC3 d2485eba19775b4778b3d11b05d66d6c [0,0,0,0,0,0|4,0,0]=4 19 B17R3.127913 c1cc(c2ccnn2c1)CNCC3CC3 786226258f6522deb16a525c2ab7f466 [0,0,0,0,0,0|3,0,0]=3 20 B17R3.127913 c1cc(c2ccnn2c1)COCC3CC3 de18b9124207e2fbde888b78674040ae [0,0,0,0,0,0|4,0,0]=4 21 B17R3.127913 c1cc(c2ccoc2c1)NCCC3CC3 0f709fe49dba40ba711874aee65f571f [0,0,0,0,0,0|4,0,0]=4 22 B17R3.127913 c1cc(c2ccoc2c1)OCCC3CC3 9f075eea371da6a4bf81c4298cf383a9 [0,0,0,0,0,0|4,0,0]=4 23 B17R3.127913 c1cc(c2ccsc2c1)CNCC3CC3 a29c36b85c79aa304f97ec5291567e02 [0,0,0,0,0,0|2,0,0]=2 24 B17R3.127913 c1cc(c2ccsc2c1)COCC3CC3 b92a88358c7e9223edea1faca37ae676 [0,0,0,0,0,0|3,0,0]=3 25 B17R3.127913 c1cc(c2ccsc2c1)NCCC3CC3 f75171e731cfb97ce8d4db689d777a6e [0,0,0,0,0,0|4,0,0]=4 26 B17R3.127913 c1cc(c2ccsc2c1)OCCC3CC3 c0bfb7e74ce0a1c6926540e81d3daa23 [0,0,0,0,0,0|4,0,0]=4 27 B17R3.127913 c1cc(c2cn[nH]c2c1)CNCC3CC3 0ed0e9d245588c6ebaebb6cb79d2ee40 [0,0,0,0,0,0|3,0,0]=3 28 B17R3.127913 c1cc(c2cn[nH]c2c1)COCC3CC3 d9b9533b319cea1ff038c4741b3708d0 [0,0,0,0,0,0|4,0,0]=4 29 B17R3.127913 c1cc(c2cncn2c1)COCC3CC3 cb2c6c74c4efecc255ec946f06a9cd4a [0,0,0,0,0,0|4,0,0]=4 30 B17R3.127913 c1cc(c2nc[nH]c2c1)COCC3CC3 1f010cfb883e883a47c1174d82f17974 [0,0,0,0,0,0|3,0,0]=3 31 B17R3.127913 c1cc(c2nc[nH]c2c1)NCCC3CC3 0b04c204a55ee28b7aed9816f881aa8f [0,0,0,0,0,0|4,0,0]=4 32 B17R3.127913 c1cc(c2nc[nH]c2c1)OCCC3CC3 3c516d2ad0c217943d8a2fa781b24e34 [0,0,0,0,0,0|4,0,0]=4 33 B17R3.127913 c1cc(c2nc[nH]c2n1)CNCC3CC3 3dd3b62f6986d155f869d96ef36832e3 [0,0,0,0,0,0|3,0,0]=3 34 B17R3.127913 c1cc(c2nccn2c1)CNCC3CC3 d58bd74b55776c786edea89242d3b77a [0,0,0,0,0,0|2,0,0]=2 35 B17R3.127913 c1cc(c2nccn2c1)COCC3CC3 27f76d3ab346cc131949d10d57e216d6 [0,0,0,0,0,0|3,0,0]=3 36 B17R3.127913 c1cc(c2nccn2c1)NCCC3CC3 87fc109874a72b98bf00a0541dbbb840 [0,0,0,0,0,0|4,0,0]=4 37 B17R3.127913 c1cc(c2nccn2c1)OCCC3CC3 322f6e23c13d6c1f73e9e8e2203f236e [0,0,0,0,0,0|4,0,0]=4 38 B17R3.127913 c1cc(c2ncoc2c1)CNCC3CC3 dc05c7d62e09be5bf07fad9f374634bb [0,0,0,0,0,0|2,0,0]=2 39 B17R3.127913 c1cc(c2ncoc2c1)COCC3CC3 786b0abafa4fd0882c962c7fe81a0f18 [0,0,0,0,0,0|3,0,0]=3 40 B17R3.127913 c1cc(c2ncoc2c1)NCCC3CC3 a457562bae336f284cb9f29b7fb0e7d8 [0,0,0,0,0,0|4,0,0]=4 41 B17R3.127913 c1cc(c2ncoc2c1)OCCC3CC3 fcdbd508eee8c5ae70d62bb795ea7003 [0,0,0,0,0,0|4,0,0]=4 42 B17R3.127913 c1cc(c2ncsc2c1)CNCC3CC3 2a83f99675396d3a69d376e8b0325ede [0,0,0,0,0,0|2,0,0]=2 43 B17R3.127913 c1cc(c2ncsc2c1)COCC3CC3 b098ad36a436729a1b5e32cd4b97177c [0,0,0,0,0,0|3,0,0]=3 44 B17R3.127913 c1cc(c2ncsc2c1)NCCC3CC3 45af3a0d3e2b1a33dd17e4661bb25376 [0,0,0,0,0,0|4,0,0]=4 45 B17R3.127913 c1cc(c2ncsc2c1)OCCC3CC3 edf4b2cd904e0f3390d9e30e575c1e5c [0,0,0,0,0,0|4,0,0]=4 46 B17R3.127913 c1cc(c2nncn2c1)COCC3CC3 fc78ac7e0e7d34d99ad33f95d5063cb3 [0,0,0,0,0,0|4,0,0]=4 47 B17R3.127913 c1cc(c2nonc2c1)CNCC3CC3 08e97a4b1e2b6978321504da66b3f51c [0,0,0,0,0,0|3,0,0]=3 48 B17R3.127913 c1cc(c2nonc2c1)COCC3CC3 281b533d350278a27ad985ecc65fc536 [0,0,0,0,0,0|4,0,0]=4 49 B17R3.127913 c1cc(c2nsnc2c1)CNCC3CC3 c1cf5c7012916d4c8f0c07e28ba2d41a [0,0,0,0,0,0|3,0,0]=3 50 B17R3.127913 c1cc(c2nsnc2c1)COCC3CC3 fc847b6322e2a3ac32ae8afedb6c59cf [0,0,0,0,0,0|4,0,0]=4 51 B17R3.127913 c1cc(c2occc2c1)CNCC3CC3 15c40ca1004ec87e978f5be333b78f06 [0,0,0,0,0,0|0,1,0]=1 52 B17R3.127913 c1cc(c2occc2c1)COCC3CC3 f656a9e112ebdfa96fd990454ce4dfd2 [0,0,0,0,0,0|1,1,0]=2 53 B17R3.127913 c1cc(c2occc2c1)NCCC3CC3 890fa76174ae87ebcb3f1a96413de957 [0,0,0,0,0,0|2,1,0]=3 54 B17R3.127913 c1cc(c2occc2c1)OCCC3CC3 53f941389b009f026dba17b8c39e5dcc [0,0,0,0,0,0|2,1,0]=3 55 B17R3.127913 c1cc(c2occc2n1)NCCC3CC3 2127e01a7c3097cc5fb402215a2a8e1f [0,0,0,0,0,0|3,1,0]=4 56 B17R3.127913 c1cc(c2ocnc2c1)CNCC3CC3 07ddd28ea93185fdb9b635dbbdc275da [0,0,0,0,0,0|1,1,0]=2 57 B17R3.127913 c1cc(c2ocnc2c1)COCC3CC3 54858fb649b43c65fe9c6879db66fec7 [0,0,0,0,0,0|2,1,0]=3 58 B17R3.127913 c1cc(c2ocnc2c1)NCCC3CC3 7eb74a74f47a723936cb5a755dbece03 [0,0,0,0,0,0|3,1,0]=4 59 B17R3.127913 c1cc(c2ocnc2c1)OCCC3CC3 cde97d0e76c18c787435327a5fbbd29e [0,0,0,0,0,0|3,1,0]=4 60 B17R3.127913 c1cc(c2oncc2c1)NCCC3CC3 8ba4b300f9b9fc2ec5b8e95915292646 [0,0,0,0,0,0|3,1,0]=4 61 B17R3.127913 c1cc(c2oncc2c1)OCCC3CC3 1e49555a0fa0f86095ba336e9820739e [0,0,0,0,0,0|3,1,0]=4 62 B17R3.127913 c1cc(c2sccc2c1)CNCC3CC3 378659edde37bafa77e564c80e861736 [0,0,0,0,0,0|0,0,0]=0 63 B17R3.127913 c1cc(c2sccc2c1)COCC3CC3 c6a5402480171108de1d823d518c99ca [0,0,0,0,0,0|1,0,0]=1 64 B17R3.127913 c1cc(c2sccc2c1)OCCC3CC3 3d933e956e01f9f0c68c14dd8edcc5e3 [0,0,0,0,0,0|2,0,0]=2 65 B17R3.127913 c1cc(c2sccc2n1)NCCC3CC3 1ee8736d3fe3abd2565dc94fad74904e [0,0,0,0,0,0|3,0,0]=3 66 B17R3.127913 c1cc(c2sccc2n1)NCCN3CC3 bc3edb0122efce301e1a205ee9dfd378 [0,0,0,0,0,0|4,0,0]=4 67 B17R3.127913 c1cc(c2sccc2n1)OCCC3CC3 bc4c53f62f55e389d004952179af5871 [0,0,0,0,0,0|3,0,0]=3 68 B17R3.127913 c1cc(c2scnc2c1)CNCC3CC3 28f3f60602163ad4a7dd088073ae5d65 [0,0,0,0,0,0|1,0,0]=1 69 B17R3.127913 c1cc(c2scnc2c1)COCC3CC3 a313689a97b1806b831e08c37bf8412e [0,0,0,0,0,0|2,0,0]=2 70 B17R3.127913 c1cc(c2scnc2c1)NCCC3CC3 0ef575d995cd2c8c8f4cde595f4ca888 [0,0,0,0,0,0|3,0,0]=3 71 B17R3.127913 c1cc(c2scnc2c1)OCCC3CC3 013484a8db7764198a227de8a9b73e34 [0,0,0,0,0,0|3,0,0]=3 72 B17R3.127913 c1cc(c2sncc2c1)NCCC3CC3 58decbe504aeb95ce5ad71ea09a903db [0,0,0,0,0,0|3,0,0]=3 73 B17R3.127913 c1cc(c2snnc2c1)NCCC3CC3 01c026a3a567e7cbd161f916db3b4892 [0,0,0,0,0,0|4,0,0]=4 74 B17R3.127913 c1cc(n2ccnc2c1)COCC3CC3 7e720f9af73487badbff8f4b76265462 [0,0,0,0,0,0|4,0,0]=4 75 B17R3.127913 c1cc(n2nccc2c1)CNCC3CC3 1a55bd88fe2e5dfe0f364cbd7523fa9d [0,0,0,0,0,0|2,0,0]=2 76 B17R3.127913 c1cc(n2nccc2c1)COCC3CC3 92d6a3943a6c0258c30998f0877b074d [0,0,0,0,0,0|3,0,0]=3 77 B17R3.127913 c1cc(n2nccc2c1)NCCC3CC3 9068f9f65c41e65ef8f4df1f5b6f2dae [0,0,0,0,0,0|4,0,0]=4 78 B17R3.127913 c1cc(n2ncnc2c1)CNCC3CC3 fca543464a9b3c75558a18b23e395c8a [0,0,0,0,0,0|3,0,0]=3 79 B17R3.127913 c1cc(n2ncnc2c1)COCC3CC3 812c9619bc9aed1c50275e18b16ddc1c [0,0,0,0,0,0|4,0,0]=4 80 B17R3.127913 c1cc-2ccnc2n(c1)OCCC3CC3 014c5a21edfd9ed9e74038894a5cbca8 [0,0,0,0,0,0|4,0,0]=4 81 B17R3.127913 c1cc2[nH]ccc2c(n1)CNCC3CC3 225303912f00400983646f78fd934eeb [0,0,0,0,0,0|3,0,0]=3 82 B17R3.127913 c1cc2[nH]ccc2c(n1)COCC3CC3 503e9b560ac88f58e20287a517c57f06 [0,0,0,0,0,0|4,0,0]=4 83 B17R3.127913 c1cc2[nH]cnc2c(n1)CNCC3CC3 5041e612ed90bf80dbfc6acb15c891cc [0,0,0,0,0,0|3,0,0]=3 84 B17R3.127913 c1cc2c(c(c1)COCC3CC3)OCC2 c800ddd47ba112a64263b81d83368d66 [0,0,0,0,0,0|1,1,2]=4 85 B17R3.127913 c1cc2c(nccn2c1)COCC3CC3 58c9e7d3e8eca2a55cd64a7e6876aa6b [0,0,0,0,0,0|4,0,0]=4 86 B17R3.127913 c1cc2cc[nH]c2c(n1)COCC3CC3 186b58eb664b867a06a6aa4ba4ed8e21 [0,0,0,0,0,0|3,0,0]=3 87 B17R3.127913 c1cc2cc[nH]c2c(n1)NCCC3CC3 5f8c4da3db9518bb8ed1c86877a79848 [0,0,0,0,0,0|4,0,0]=4 88 B17R3.127913 c1cc2ccoc2c(n1)NCCC3CC3 78e8f72b4663a5cca8c4b8cc4434b28d [0,0,0,0,0,0|3,1,0]=4 89 B17R3.127913 c1cc2ccsc2c(n1)NCCC3CC3 6a88d90e483fb4e477c20a76bcc42e59 [0,0,0,0,0,0|3,0,0]=3 90 B17R3.127913 c1cc2ccsc2c(n1)NCCN3CC3 751c6aa1a3a957de2f1476e0e8cca2c9 [0,0,0,0,0,0|4,0,0]=4 91 B17R3.127913 c1cc2cncc(c2[nH]1)COCC3CC3 582f688c4883459030d8434381e3824e [0,0,0,0,0,0|3,0,0]=3 92 B17R3.127913 c1cc2cncc(c2[nH]1)NCCC3CC3 783a77cbd4943bc92b678f6891a427ac [0,0,0,0,0,0|4,0,0]=4 93 B17R3.127913 c1nc(c2sccc2n1)NCCC3CC3 1ebc388237e058dee59e1f428f44ab1c [0,0,0,0,0,0|4,0,0]=4 94 B17R3.127913 c1nc2c(cncc2[nH]1)CNCC3CC3 bb21f083fab09039cd5af3263377d0e9 [0,0,0,0,0,0|3,0,0]=3 95 B18R3.4181 Brc1cnc2n1cccc2COCC3CC3 f79b0cdd5790e8da7880e675f3354e0f [0,1,0,0,0,0|3,0,0]=4 96 B18R3.4181 Brc1csc2c1ccnc2NCCC3CC3 0637a034bd25aa61d7330ec9bacd5fca [0,1,0,0,0,0|3,0,0]=4 97 B18R3.4181 Cc1c[nH]c2c1cccc2NCCC3CC3 b062927b6205ec10881bd9225dffda03 [0,1,0,0,0,0|3,0,0]=4 98 B18R3.4181 Cc1c[nH]c2c1cccc2OCCC3CC3 619ca692e9b3cc5207beaa46472358e8 [0,1,0,0,0,0|3,0,0]=4 99 B18R3.4181 Cc1coc2c1cccc2NCCC3CC3 cbf98006f3728441afcc4da52e418241 [0,1,0,0,0,0|2,1,0]=4 100 B18R3.4181 Cc1csc2c1ccnc2OCCC3CC3 7c7b9c39e9bf6a50d7eaa8d6c5c20ee1 [0,1,0,0,0,0|3,0,0]=4 101 B18R3.4181 Cc1csc2c1nccc2OCCC3CC3 5ae365f4052d8e66f474377194ec59c9 [0,1,0,0,0,0|3,0,0]=4 102 B18R3.4181 Cc1n[nH]c2c1cccc2COCC3CC3 7b13cae363593164346816112a56261a [0,1,0,0,0,0|3,0,0]=4 103 B18R3.4181 Cc1nnc2n1cccc2CNCC3CC3 c8a5e298a58eff80562fb8201c210f45 [0,1,0,0,0,0|3,0,0]=4 104 B18R3.4181 Clc1c[nH]c2c1cccc2NCCC3CC3 449880440040d3f1a4f6b410a5582f40 [0,1,0,0,0,0|3,0,0]=4 105 B18R3.4181 Cn1ccc2c1cccc2CNCC3CC3 f3f24d9c098ba1e4a26158d3f6b3077e [0,1,0,0,0,0|2,0,0]=3 106 B18R3.4181 Cn1ccc2c1cccc2COCC3CC3 3c84a5151765b8902fec389aec868738 [0,1,0,0,0,0|3,0,0]=4 107 B18R3.4181 Cn1ncc2c1cccc2CNCC3CC3 e1c6dbb03e05064a5ad71d39befe61d5 [0,1,0,0,0,0|3,0,0]=4 108 B18R3.4181 O=C1NCc2c1cccc2CNCC3CC3 e9698b31a6394a06f4931c0812070cdc [0,1,0,0,0,0|2,0,0]=3 109 B18R3.6514 C=C1CC1COCc2cccc3c2scc3 24dd2ab16f0e5ec38aedb8a61e07f958 [0,1,0,0,0,0|1,0,1]=3 110 B18R3.6514 C=C1CC1COCc2cccc3c2scn3 fdd28178ac02d72e04159a1a49e5a2e9 [0,1,0,0,0,0|2,0,1]=4 111 B18R3.6514 CC1CC1COCc2cccc3c2[nH]nc3 c7b02184e8532218b8ac1f53745ac2c1 [0,1,0,0,0,0|3,0,0]=4 112 B18R3.6514 CC1CC1COCc2cccc3c2ccs3 dd996970169d21333ce5694057171c3d [0,1,0,0,0,0|3,0,0]=4 113 B18R3.6514 CC1CC1COCc2cccc3c2nco3 2ff530002e31c5eaec26429663eff98b [0,1,0,0,0,0|3,0,0]=4 114 B18R3.6514 CC1CC1COCc2cccc3c2ncs3 8b964bd6e0c6493d3a13073a423b42d3 [0,1,0,0,0,0|3,0,0]=4 115 B18R3.6514 CC1CC1COCc2cccc3c2ocn3 80189120bbccd7f7020dac51550bc9b6 [0,1,0,0,0,0|2,1,0]=4 116 B18R3.6514 CC1CC1COCc2cccc3c2scc3 3cde5e955bb50e899e4993c5e5a483e6 [0,1,0,0,0,0|1,0,0]=2 117 B18R3.6514 CC1CC1COCc2cccc3c2scn3 42dd8d6bb77f08769739dccae1a93aa8 [0,1,0,0,0,0|2,0,0]=3 118 B18R3.6514 CC1CC1COCc2cccc3n2ncc3 db154575567148f40ed4703c6687b949 [0,1,0,0,0,0|3,0,0]=4 119 B18R3.6514 C[C@@H]1C[C@H]1COCc2cccc3c2[nH]nc3 a5210f67973c6cb44e0206942c897f13 [0,1,0,0,0,0|3,0,0]=4 120 B18R3.6514 C[C@@H]1C[C@H]1COCc2cccc3c2ccs3 0279c14bf8ab073414898a1fc2294c68 [0,1,0,0,0,0|3,0,0]=4 121 B18R3.6514 C[C@@H]1C[C@H]1COCc2cccc3c2nco3 7488549ef635a215c04d311d995982e3 [0,1,0,0,0,0|3,0,0]=4 122 B18R3.6514 C[C@@H]1C[C@H]1COCc2cccc3c2ncs3 b4deb923148ebe98eb61357efeef90d0 [0,1,0,0,0,0|3,0,0]=4 123 B18R3.6514 C[C@@H]1C[C@H]1COCc2cccc3c2ocn3 5d2ea07e2815d122bad46bc12442b7cb [0,1,0,0,0,0|2,1,0]=4 124 B18R3.6514 C[C@@H]1C[C@H]1COCc2cccc3c2scc3 120defe352eafbc26ea1ad241b6e2552 [0,1,0,0,0,0|1,0,0]=2 125 B18R3.6514 C[C@@H]1C[C@H]1COCc2cccc3c2scn3 44d9326d43060afd02a77674dd4bf820 [0,1,0,0,0,0|2,0,0]=3 126 B18R3.6514 C[C@@H]1C[C@H]1COCc2cccc3n2ncc3 f2d3d2bb2d7f0331c3a66b49b7925205 [0,1,0,0,0,0|3,0,0]=4 127 B18R3.6514 C[C@H]1C[C@@H]1COCc2cccc3c2[nH]nc3 66f66898afc6fe4195782435106fc64e [0,1,0,0,0,0|3,0,0]=4 128 B18R3.6514 C[C@H]1C[C@@H]1COCc2cccc3c2ccs3 b1a89480296f38b65f93ed2157aa9196 [0,1,0,0,0,0|3,0,0]=4 129 B18R3.6514 C[C@H]1C[C@@H]1COCc2cccc3c2nco3 a2220b2846dff12fe326fb0e72528d3b [0,1,0,0,0,0|3,0,0]=4 130 B18R3.6514 C[C@H]1C[C@@H]1COCc2cccc3c2ncs3 dcbb00461866c8a5f52de1dcb18fd6d6 [0,1,0,0,0,0|3,0,0]=4 131 B18R3.6514 C[C@H]1C[C@@H]1COCc2cccc3c2ocn3 6ae7fbada7686ad25df107867fe846b1 [0,1,0,0,0,0|2,1,0]=4 132 B18R3.6514 C[C@H]1C[C@@H]1COCc2cccc3c2scc3 0aca0999d36b07af4c91a6b6fce946b4 [0,1,0,0,0,0|1,0,0]=2 133 B18R3.6514 C[C@H]1C[C@@H]1COCc2cccc3c2scn3 00d651856fa7a6cc1fc6d02e73bb515e [0,1,0,0,0,0|2,0,0]=3 134 B18R3.6514 C[C@H]1C[C@@H]1COCc2cccc3n2ncc3 50399d922693c11db678ec43a166d6dc [0,1,0,0,0,0|3,0,0]=4 135 B18R3.6514 C[C@H]1C[C@H]1COCc2cccc3c2[nH]nc3 ab5f3fd8ce1fc0862cd31cc80f01becd [0,1,0,0,0,0|3,0,0]=4 136 B18R3.6514 C[C@H]1C[C@H]1COCc2cccc3c2ccs3 e61ddb01a22fa1863059245699120d47 [0,1,0,0,0,0|3,0,0]=4 137 B18R3.6514 C[C@H]1C[C@H]1COCc2cccc3c2nco3 49cab718e84ee207a15b00ded89e4b89 [0,1,0,0,0,0|3,0,0]=4 138 B18R3.6514 C[C@H]1C[C@H]1COCc2cccc3c2ncs3 dbd57d9afe17ca8cc22c929212545ec5 [0,1,0,0,0,0|3,0,0]=4 139 B18R3.6514 C[C@H]1C[C@H]1COCc2cccc3c2ocn3 fa91c7b509bf1a4385ab9b7579b4f1a4 [0,1,0,0,0,0|2,1,0]=4 140 B18R3.6514 C[C@H]1C[C@H]1COCc2cccc3c2scc3 818a3fb6a4059ab0e8727fc7b9b575cb [0,1,0,0,0,0|1,0,0]=2 141 B18R3.6514 C[C@H]1C[C@H]1COCc2cccc3c2scn3 dce69377a230adc3d43d96d8d9b79ae8 [0,1,0,0,0,0|2,0,0]=3 142 B18R3.6514 C[C@H]1C[C@H]1COCc2cccc3n2ncc3 865362926f414629f5a260a534393e0f [0,1,0,0,0,0|3,0,0]=4 143 B18R3.6514 F[C@@H]1C[C@@H]1COCc2cccc3c2[nH]nc3 d6b927e89b5b3c2dd2f58d727b7d7eae [0,1,0,0,0,0|3,0,0]=4 144 B18R3.6514 F[C@@H]1C[C@@H]1COCc2cccc3c2ccs3 1325008cb3c54c89b120b43fbd8baea3 [0,1,0,0,0,0|3,0,0]=4 145 B18R3.6514 F[C@@H]1C[C@@H]1COCc2cccc3c2nco3 cff7bd9d8ce281d519ddcafabce19261 [0,1,0,0,0,0|3,0,0]=4 146 B18R3.6514 F[C@@H]1C[C@@H]1COCc2cccc3c2ncs3 2d75b55b1dae42c8fe4649ff43d2a775 [0,1,0,0,0,0|3,0,0]=4 147 B18R3.6514 F[C@@H]1C[C@@H]1COCc2cccc3c2ocn3 cac8acd5204d97b29f66586d8bbb5d16 [0,1,0,0,0,0|2,1,0]=4 148 B18R3.6514 F[C@@H]1C[C@@H]1COCc2cccc3c2scc3 5e1a1c1bba549aaa6938609c836a93ca [0,1,0,0,0,0|1,0,0]=2 149 B18R3.6514 F[C@@H]1C[C@@H]1COCc2cccc3c2scn3 e1d9eee0f66f9ed7284c5f6134c84d74 [0,1,0,0,0,0|2,0,0]=3 150 B18R3.6514 F[C@@H]1C[C@@H]1COCc2cccc3n2ncc3 aff5421144d434c9b226199500c8aeb1 [0,1,0,0,0,0|3,0,0]=4 151 B18R3.6514 F[C@@H]1C[C@H]1COCc2cccc3c2[nH]nc3 6970db7d19d9226a78740db45f313afc [0,1,0,0,0,0|3,0,0]=4 152 B18R3.6514 F[C@@H]1C[C@H]1COCc2cccc3c2ccs3 10ca7db7775a2733720ad779f6bb188c [0,1,0,0,0,0|3,0,0]=4 153 B18R3.6514 F[C@@H]1C[C@H]1COCc2cccc3c2nco3 4baab95603a1a1f1bf6d74f9b7f5b2fd [0,1,0,0,0,0|3,0,0]=4 154 B18R3.6514 F[C@@H]1C[C@H]1COCc2cccc3c2ncs3 88da7c70f3a42428e9cd7767746bc318 [0,1,0,0,0,0|3,0,0]=4 155 B18R3.6514 F[C@@H]1C[C@H]1COCc2cccc3c2ocn3 748b5b34d1cdba183a72c6dcec4b4690 [0,1,0,0,0,0|2,1,0]=4 156 B18R3.6514 F[C@@H]1C[C@H]1COCc2cccc3c2scc3 fbd19c87c39a3fc68d622717d0d71750 [0,1,0,0,0,0|1,0,0]=2 157 B18R3.6514 F[C@@H]1C[C@H]1COCc2cccc3c2scn3 57fede34f6c687a89bf0e140465c66ee [0,1,0,0,0,0|2,0,0]=3 158 B18R3.6514 F[C@@H]1C[C@H]1COCc2cccc3n2ncc3 cd9b1f412160c2fb1e47122b7290b2cc [0,1,0,0,0,0|3,0,0]=4 159 B18R3.6514 F[C@H]1C[C@@H]1COCc2cccc3c2[nH]nc3 ef082ec9dfeac67e0cab94fa44e1c52e [0,1,0,0,0,0|3,0,0]=4 160 B18R3.6514 F[C@H]1C[C@@H]1COCc2cccc3c2ccs3 d98d7d5faf96cabb93318c9ec03400e8 [0,1,0,0,0,0|3,0,0]=4 161 B18R3.6514 F[C@H]1C[C@@H]1COCc2cccc3c2nco3 3eee8bc71017e00e0caee9b90cc97806 [0,1,0,0,0,0|3,0,0]=4 162 B18R3.6514 F[C@H]1C[C@@H]1COCc2cccc3c2ncs3 f99098b2ae76c47af7fab24b143c7a01 [0,1,0,0,0,0|3,0,0]=4 163 B18R3.6514 F[C@H]1C[C@@H]1COCc2cccc3c2ocn3 03fe78b5fb3e4f827e42eda3f6fa0bbd [0,1,0,0,0,0|2,1,0]=4 164 B18R3.6514 F[C@H]1C[C@@H]1COCc2cccc3c2scc3 f85e8fbac4cf164578dad4a74885097a [0,1,0,0,0,0|1,0,0]=2 165 B18R3.6514 F[C@H]1C[C@@H]1COCc2cccc3c2scn3 7c6feca3ba62fe619398f9fcc4f6e2a9 [0,1,0,0,0,0|2,0,0]=3 166 B18R3.6514 F[C@H]1C[C@@H]1COCc2cccc3n2ncc3 a2bc6bf409d24b4fa10eb8aa300cc297 [0,1,0,0,0,0|3,0,0]=4 167 B18R3.6514 F[C@H]1C[C@H]1COCc2cccc3c2[nH]nc3 d11021c976eedeb29b919b631bbb4f36 [0,1,0,0,0,0|3,0,0]=4 168 B18R3.6514 F[C@H]1C[C@H]1COCc2cccc3c2ccs3 698b05b21cc8617fde1ead5ba48c55b7 [0,1,0,0,0,0|3,0,0]=4 169 B18R3.6514 F[C@H]1C[C@H]1COCc2cccc3c2nco3 9aa4e9d93174d0f9d5efa16b9478fdcd [0,1,0,0,0,0|3,0,0]=4 170 B18R3.6514 F[C@H]1C[C@H]1COCc2cccc3c2ncs3 caef9b70f18f22be7217b4d603e42d6f [0,1,0,0,0,0|3,0,0]=4 171 B18R3.6514 F[C@H]1C[C@H]1COCc2cccc3c2ocn3 d7f82ce77f67ab32a1d800144105b70c [0,1,0,0,0,0|2,1,0]=4 172 B18R3.6514 F[C@H]1C[C@H]1COCc2cccc3c2scc3 db65fde1a308ee52c264bbf35a4f60a8 [0,1,0,0,0,0|1,0,0]=2 173 B18R3.6514 F[C@H]1C[C@H]1COCc2cccc3c2scn3 940784f0b13f31507cee03911137b26f [0,1,0,0,0,0|2,0,0]=3 174 B18R3.6514 F[C@H]1C[C@H]1COCc2cccc3n2ncc3 9d3e8f33feb9644ab1b7e680a0b0db00 [0,1,0,0,0,0|3,0,0]=4 175 B18R3.53833 Brc1ccc2ncsc2c1NCCC3CC3 0607748fe11051d0874bc787fc762340 [0,1,0,0,0,0|3,0,0]=4 176 B18R3.53833 Brc1cnc2ccsc2c1OCCC3CC3 f40fd9033694f28ad6017047b437512c [0,1,0,0,0,0|3,0,0]=4 177 B18R3.53833 Fc1ccc2c(c1CNCC3CC3)CCO2 70ee6ee32b695c5c295e30dab89334e2 [0,1,0,0,0,0|2,0,1]=4 178 B18R3.92027 Brc1cc(c2[nH]ccc2c1)NCCC3CC3 fb8658f1063b8b59b6ed03a89b393b29 [0,1,0,0,0,0|3,0,0]=4 179 B18R3.92027 Brc1cc(c2cc[nH]c2c1)COCC3CC3 bf82d7e6ef816f732c997abf6464c959 [0,1,0,0,0,0|3,0,0]=4 180 B18R3.92027 Brc1cc(c2nccn2c1)COCC3CC3 f12551c5c90d824480773f4051bbc8a7 [0,1,0,0,0,0|3,0,0]=4 181 B18R3.92027 Cc1cc(c2[nH]ccc2c1)NCCC3CC3 9bedcdc4dc5d56442c44d5b6a986ddb0 [0,1,0,0,0,0|3,0,0]=4 182 B18R3.92027 Cc1cc(c2cc[nH]c2c1)COCC3CC3 e3f39f0ff782b6125d24f10dc4ab3dfe [0,1,0,0,0,0|3,0,0]=4 183 B18R3.92027 Clc1cc(c2[nH]ccc2c1)NCCC3CC3 1212708039204724317120ebf76b764d [0,1,0,0,0,0|3,0,0]=4 184 B18R3.92027 Clc1cc(c2[nH]cnc2c1)COCC3CC3 93719d5ba3aac1a1319838c6d5ea3616 [0,1,0,0,0,0|3,0,0]=4 185 B18R3.92027 Fc1cc(c2[nH]ccc2c1)NCCC3CC3 bd0a5a280c9ea7b85646cd583e60a801 [0,1,0,0,0,0|3,0,0]=4 186 B18R3.92027 Fc1cc(c2cc[nH]c2c1)CNCC3CC3 7e5557fa0853d6b1e78da72eeb3d1c24 [0,1,0,0,0,0|2,0,0]=3 187 B18R3.106442 Cc1cc2c(ccnc2[nH]1)CNCC3CC3 b0d43bc9cf6a0008adda68f51be29254 [0,1,0,0,0,0|3,0,0]=4 188 B18R3.106442 Cc1cc2cccc(c2s1)CNCC3CC3 8bf693b4fe5322dbbe4895c7c7d2b537 [0,1,0,0,0,0|0,0,0]=1 189 B18R3.106442 Cc1cc2cccc(c2s1)COCC3CC3 f24f3924575ba1c5de63fca37aaaa911 [0,1,0,0,0,0|1,0,0]=2 190 B18R3.106442 Cc1nc2cccc(c2s1)NCCC3CC3 c3495f9f8565512c669f5e682057d29b [0,1,0,0,0,0|3,0,0]=4 191 B18R3.106442 Clc1nc2cccc(c2s1)NCCC3CC3 fea422629d6dd12915f7315b093bbe5b [0,1,0,0,0,0|3,0,0]=4 192 B18R3.106442 Clc1nc2cccc(c2s1)OCCC3CC3 00a2156190bd9afcc77770c606f57149 [0,1,0,0,0,0|3,0,0]=4 193 B18R3.106442 Cn1cc2c(cccc2n1)CNCC3CC3 2ac8fc9d2333ce8125608e4322c478b5 [0,1,0,0,0,0|3,0,0]=4 194 B18R3.106442 Cn1cc2cccc(c2n1)CNCC3CC3 b682989b7104ec77c8993cddfa34be65 [0,1,0,0,0,0|2,0,0]=3 195 B18R3.106442 Cn1cc2cccc(c2n1)COCC3CC3 ad0f38ba8da20f77eb17600a0973eba3 [0,1,0,0,0,0|3,0,0]=4 196 B18R3.106442 O=C1Cc2c(cccc2N1)COCC3CC3 2114b543991f5c66225e679e5f63161c [0,1,0,0,0,0|3,0,0]=4 197 B18R3.106442 O=C1Cc2c(ccnc2N1)CNCC3CC3 1dc03a1341b8a3d4f37c2e399fccd457 [0,1,0,0,0,0|3,0,0]=4 198 B18R3.106442 O=C1Cc2cccc(c2N1)CNCC3CC3 ab9061e19cabde035899fc416ac1398e [0,1,0,0,0,0|1,0,1]=3 199 B18R3.106442 O=C1Cc2cccc(c2N1)COCC3CC3 04528be6a377452d97c4a85bdf8aa437 [0,1,0,0,0,0|2,0,1]=4 200 B18R3.106442 O=c1[nH]c2cccc(c2o1)COCC3CC3 3999cc1ec732e5eee8648537a2873521 [0,1,0,0,0,0|2,1,0]=4 201 B18R3.240199 CN(Cc1cccc2c1CCC2)CC3CC3 b1dc283cfb328e1032c90d75aead394a [0,1,0,0,0,0|1,0,2]=4 202 B18R3.240199 CN(Cc1cccc2c1[nH]nc2)CC3CC3 72adc09ff8afd04859235d4b134ada45 [0,1,0,0,0,0|2,0,0]=3 203 B18R3.240199 CN(Cc1cccc2c1cc[nH]2)CC3CC3 62e7accf1d309f67ef253d163cad47a4 [0,1,0,0,0,0|2,0,0]=3 204 B18R3.240199 CN(Cc1cccc2c1ccs2)CC3CC3 60f9fcef54642ff998eeca6f31b8167f [0,1,0,0,0,0|2,0,0]=3 205 B18R3.240199 CN(Cc1cccc2c1cn[nH]2)CC3CC3 2b7cb2217d2020f7e8e7f664536a409f [0,1,0,0,0,0|3,0,0]=4 206 B18R3.240199 CN(Cc1cccc2c1nco2)CC3CC3 e8fd835793147bc081bd9d5c796785db [0,1,0,0,0,0|2,0,0]=3 207 B18R3.240199 CN(Cc1cccc2c1ncs2)CC3CC3 44895ffa440cbd9b3c980cf481c3f225 [0,1,0,0,0,0|2,0,0]=3 208 B18R3.240199 CN(Cc1cccc2c1non2)CC3CC3 393565a2184682001948604831ee7478 [0,1,0,0,0,0|3,0,0]=4 209 B18R3.240199 CN(Cc1cccc2c1nsn2)CC3CC3 b24e0472a02913949d1a05247db6b1c0 [0,1,0,0,0,0|3,0,0]=4 210 B18R3.240199 CN(Cc1cccc2c1ocn2)CC3CC3 6b664e43c63fa872202b2500758ea689 [0,1,0,0,0,0|1,1,0]=3 211 B18R3.240199 CN(Cc1cccc2c1scc2)CC3CC3 58bbad671571e01a57cea8e29e84bc13 [0,1,0,0,0,0|0,0,0]=1 212 B18R3.240199 CN(Cc1cccc2n1ncc2)CC3CC3 25682939b78127fbaea0435eb49cc09a [0,1,0,0,0,0|2,0,0]=3 213 B18R3.240199 CN(Cc1ccnc2c1cc[nH]2)CC3CC3 8c21725b20d07251caaa23af1bcc1341 [0,1,0,0,0,0|3,0,0]=4 214 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2occ3 c5a2457955e878d13e72f7d07505ab3a [0,1,0,0,0,0|2,1,0]=4 215 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2scn3 98ede868fdf8fbf819507365fb7f2ad5 [0,1,0,0,0,0|3,0,0]=4 216 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2snc3 572e1fbb4c70f57562a3fcbab6c59cd7 [0,1,0,0,0,0|3,0,0]=4 217 B18R3.240199 O=C(CC1CC1)Nc2ccnc3c2scc3 a91d676da8cbffefeb60ebb2d5091201 [0,1,0,0,0,0|3,0,0]=4 218 B18R3.240199 O=C(CC1CC1)Nc2nccc3c2scc3 73b7f9b43649238dd1375d7925db82ac [0,1,0,0,0,0|3,0,0]=4 219 B18R3.429012 BrC1(CC1)COCc2cccc3c2[nH]nc3 ab83cb8b28ccbb8cf94146b76dfb4caa [0,1,0,0,0,0|3,0,0]=4 220 B18R3.429012 BrC1(CC1)COCc2cccc3c2ccs3 38bb623cc5efc2a1e3ea5c3417cdfd98 [0,1,0,0,0,0|3,0,0]=4 221 B18R3.429012 BrC1(CC1)COCc2cccc3c2nco3 1fcddb90332a436ee9b5e0c902b214d7 [0,1,0,0,0,0|3,0,0]=4 222 B18R3.429012 BrC1(CC1)COCc2cccc3c2ncs3 54e4fcf6382da2bcbd22765f441899db [0,1,0,0,0,0|3,0,0]=4 223 B18R3.429012 BrC1(CC1)COCc2cccc3c2ocn3 0dcd150f41bc018a06ec37742e9a951a [0,1,0,0,0,0|2,1,0]=4 224 B18R3.429012 BrC1(CC1)COCc2cccc3c2scc3 dd4c5b53aa4b85e2f0acf82218a34122 [0,1,0,0,0,0|1,0,0]=2 225 B18R3.429012 BrC1(CC1)COCc2cccc3c2scn3 2e4fe6b0fa4d9715f73f226ec19804cf [0,1,0,0,0,0|2,0,0]=3 226 B18R3.429012 BrC1(CC1)COCc2cccc3n2ncc3 6949f5c8126b9968d7a489f7d0ccb87d [0,1,0,0,0,0|3,0,0]=4 227 B18R3.429012 CC1(CC1)CNCc2cccc3c2CCO3 046e36add7682bf15b04b9b9d077d19c [0,1,0,0,0,0|2,0,1]=4 228 B18R3.429012 CC1(CC1)CNCc2cccc3c2[nH]cc3 c6126c8c766770ea9862caf58b49a555 [0,1,0,0,0,0|1,0,0]=2 229 B18R3.429012 CC1(CC1)CNCc2cccc3c2[nH]nc3 712c0be7e0f91dc27b1d2a77ea33e4b2 [0,1,0,0,0,0|2,0,0]=3 230 B18R3.429012 CC1(CC1)CNCc2cccc3c2cc[nH]3 71b9a8a46f4d52054afaea59392ad12c [0,1,0,0,0,0|2,0,0]=3 231 B18R3.429012 CC1(CC1)CNCc2cccc3c2ccs3 4fe311f7fd27774e1394f90eba95e821 [0,1,0,0,0,0|2,0,0]=3 232 B18R3.429012 CC1(CC1)CNCc2cccc3c2cn[nH]3 8d8e3d9d556e9839153a8aac05ba5c97 [0,1,0,0,0,0|3,0,0]=4 233 B18R3.429012 CC1(CC1)CNCc2cccc3c2nsn3 9ab4e8ec481d87109d012a56a6d1b287 [0,1,0,0,0,0|3,0,0]=4 234 B18R3.429012 CC1(CC1)CNCc2cccc3c2occ3 2ab8ccaebc9593798a2b0dab6a09c26b [0,1,0,0,0,0|0,1,0]=2 235 B18R3.429012 CC1(CC1)CNCc2cccc3c2scc3 aa37c10997e58f6b40fa292ab7430c5a [0,1,0,0,0,0|0,0,0]=1 236 B18R3.429012 CC1(CC1)CNCc2cccc3c2scn3 32276ed71e3c4d46722bf1cb5b640287 [0,1,0,0,0,0|1,0,0]=2 237 B18R3.429012 CC1(CC1)CNCc2cccc3n2ncc3 7fe77771dbe5cfd001008ea3c359d22c [0,1,0,0,0,0|2,0,0]=3 238 B18R3.429012 CC1(CC1)CNCc2cccc3n2ncn3 63e21182bebb5a740a6b728c42c68ee5 [0,1,0,0,0,0|3,0,0]=4 239 B18R3.429012 CC1(CC1)CNCc2cccn3c2ccn3 f39dc2041231c44bb54bde7730a871b4 [0,1,0,0,0,0|3,0,0]=4 240 B18R3.429012 CC1(CC1)CNCc2cccn3c2ncc3 cb1b09c3a0015cbbf46ad67fca208304 [0,1,0,0,0,0|2,0,0]=3 241 B18R3.429012 CC1(CC1)CNCc2ccnc3c2cc[nH]3 73cbc0d5e8f991e77fdb69742a12d940 [0,1,0,0,0,0|3,0,0]=4 242 B18R3.429012 CC1(CC1)CNCc2ccnc3c2nc[nH]3 071378852ab39ce36ffaaa830f565cfe [0,1,0,0,0,0|3,0,0]=4 243 B18R3.429012 CC1(CC1)CNCc2cncc3c2nc[nH]3 9030139c4962e57246efe42b129b83cf [0,1,0,0,0,0|3,0,0]=4 244 B18R3.429012 CC1(CC1)CNCc2nccc3c2cc[nH]3 de84d6b77d71885decd20b74d7f7e106 [0,1,0,0,0,0|3,0,0]=4 245 B18R3.429012 CC1(CC1)CNCc2nccc3c2nc[nH]3 f68341be0332900d133e773bee1133c5 [0,1,0,0,0,0|3,0,0]=4 246 B18R3.429012 CC1(CC1)COCc2cccc3c2[nH]cc3 8a38b31a9122330176f1242d2e73c317 [0,1,0,0,0,0|2,0,0]=3 247 B18R3.429012 CC1(CC1)COCc2cccc3c2[nH]nc3 012f1117ee2107e807e2ba1f2d768c13 [0,1,0,0,0,0|3,0,0]=4 248 B18R3.429012 CC1(CC1)COCc2cccc3c2cc[nH]3 57ebb6d946d3af87949a7d1a32358ba7 [0,1,0,0,0,0|3,0,0]=4 249 B18R3.429012 CC1(CC1)COCc2cccc3c2ccs3 35bbdf6fbadc690bd3f396daaab4cdda [0,1,0,0,0,0|3,0,0]=4 250 B18R3.429012 CC1(CC1)COCc2cccc3c2nc[nH]3 806842010272698a2d64520f5d348b7f [0,1,0,0,0,0|3,0,0]=4 251 B18R3.429012 CC1(CC1)COCc2cccc3c2nco3 b91fa494ba61fee9ad874035d755a57c [0,1,0,0,0,0|3,0,0]=4 252 B18R3.429012 CC1(CC1)COCc2cccc3c2ncs3 dbb3aee62901144a604cf47234b51226 [0,1,0,0,0,0|3,0,0]=4 253 B18R3.429012 CC1(CC1)COCc2cccc3c2occ3 6f08018ac7fc8eee34d87e91072396dd [0,1,0,0,0,0|1,1,0]=3 254 B18R3.429012 CC1(CC1)COCc2cccc3c2ocn3 182d7e97be9fe6ff3009d3af97b3fa87 [0,1,0,0,0,0|2,1,0]=4 255 B18R3.429012 CC1(CC1)COCc2cccc3c2scc3 3a3009171cea8c513bcb0be5afee4dd4 [0,1,0,0,0,0|1,0,0]=2 256 B18R3.429012 CC1(CC1)COCc2cccc3c2scn3 fcb0ab4784057be0d284328a6b8c89d4 [0,1,0,0,0,0|2,0,0]=3 257 B18R3.429012 CC1(CC1)COCc2cccc3n2ncc3 5b30463803aabcf9168779a378661f07 [0,1,0,0,0,0|3,0,0]=4 258 B18R3.429012 CC1(CC1)COCc2cccn3c2ncc3 2ae4a89925364d880b63ff3ab3547bb0 [0,1,0,0,0,0|3,0,0]=4 259 B18R3.429012 CC1(CC1)COCc2cncc3c2[nH]cc3 5db5865a96db8116ed17ca0586adac04 [0,1,0,0,0,0|3,0,0]=4 260 B18R3.429012 CC1(CC1)COCc2nccc3c2[nH]cc3 12d5ba4526c87fe4e66462ab189b7fc5 [0,1,0,0,0,0|3,0,0]=4 261 B18R3.429012 ClC1(CC1)COCc2cccc3c2[nH]nc3 af4b4c0a350978fee72c171ae95a325a [0,1,0,0,0,0|3,0,0]=4 262 B18R3.429012 ClC1(CC1)COCc2cccc3c2ccs3 376c8817c48889087323e0c9a9d63978 [0,1,0,0,0,0|3,0,0]=4 263 B18R3.429012 ClC1(CC1)COCc2cccc3c2nco3 86af461c5d11c320042850583f340d94 [0,1,0,0,0,0|3,0,0]=4 264 B18R3.429012 ClC1(CC1)COCc2cccc3c2ncs3 165277336e2d288ce68b0052c8acd34e [0,1,0,0,0,0|3,0,0]=4 265 B18R3.429012 ClC1(CC1)COCc2cccc3c2ocn3 059c642a1b2c955899cb2e3800f62a0b [0,1,0,0,0,0|2,1,0]=4 266 B18R3.429012 ClC1(CC1)COCc2cccc3c2scc3 420ddeafb161de6bc72540ecfcb51c89 [0,1,0,0,0,0|1,0,0]=2 267 B18R3.429012 ClC1(CC1)COCc2cccc3c2scn3 718bcd7d81951d8d670a666b4fe85557 [0,1,0,0,0,0|2,0,0]=3 268 B18R3.429012 ClC1(CC1)COCc2cccc3n2ncc3 b1055d9b630af1da462902dcf99e6039 [0,1,0,0,0,0|3,0,0]=4 269 B18R3.429012 FC1(CC1)CNCc2cccc3c2CCO3 772c2ffaf7b471962e67898a8b84bf8f [0,1,0,0,0,0|2,0,1]=4 270 B18R3.429012 FC1(CC1)CNCc2cccc3c2[nH]cc3 4a8ca9d0d1829f6196d3713808958aa8 [0,1,0,0,0,0|1,0,0]=2 271 B18R3.429012 FC1(CC1)CNCc2cccc3c2[nH]nc3 e72abdd602d636c84fa54ae634c98b91 [0,1,0,0,0,0|2,0,0]=3 272 B18R3.429012 FC1(CC1)CNCc2cccc3c2cc[nH]3 3598f33c943ebc550217762955a83180 [0,1,0,0,0,0|2,0,0]=3 273 B18R3.429012 FC1(CC1)CNCc2cccc3c2ccs3 6f392d45836b4709d6fa4cd191bb5761 [0,1,0,0,0,0|2,0,0]=3 274 B18R3.429012 FC1(CC1)CNCc2cccc3c2cn[nH]3 b38b3d669633d92ebc2c5ce33762b78f [0,1,0,0,0,0|3,0,0]=4 275 B18R3.429012 FC1(CC1)CNCc2cccc3c2nco3 9c72889a9e630e7a88e93b621e8c46f5 [0,1,0,0,0,0|2,0,0]=3 276 B18R3.429012 FC1(CC1)CNCc2cccc3c2ncs3 415b47b4338fdd3f99895701c542a262 [0,1,0,0,0,0|2,0,0]=3 277 B18R3.429012 FC1(CC1)CNCc2cccc3c2non3 69402665428bc040b949187649ca3455 [0,1,0,0,0,0|3,0,0]=4 278 B18R3.429012 FC1(CC1)CNCc2cccc3c2nsn3 83b1b0b274604ea87e81af1451267b2f [0,1,0,0,0,0|3,0,0]=4 279 B18R3.429012 FC1(CC1)CNCc2cccc3c2occ3 4959ca9ecca549c706c6619aea08032d [0,1,0,0,0,0|0,1,0]=2 280 B18R3.429012 FC1(CC1)CNCc2cccc3c2ocn3 91c7614aeaa6000dad1d85ef16adf6e0 [0,1,0,0,0,0|1,1,0]=3 281 B18R3.429012 FC1(CC1)CNCc2cccc3c2scc3 1e1eefaaafeaeccef8d3298259d41881 [0,1,0,0,0,0|0,0,0]=1 282 B18R3.429012 FC1(CC1)CNCc2cccc3c2scn3 cc084b07e6f99b72f1a5b42d52f99bd6 [0,1,0,0,0,0|1,0,0]=2 283 B18R3.429012 FC1(CC1)CNCc2cccc3n2ncc3 6bb311b48f5aba18f1d586b17c3cef98 [0,1,0,0,0,0|2,0,0]=3 284 B18R3.429012 FC1(CC1)CNCc2cccc3n2ncn3 406c7aedb5b6181f5a680db8e49f09eb [0,1,0,0,0,0|3,0,0]=4 285 B18R3.429012 FC1(CC1)CNCc2cccn3c2ccn3 64bf344db256339a87cf332822be4277 [0,1,0,0,0,0|3,0,0]=4 286 B18R3.429012 FC1(CC1)CNCc2cccn3c2ncc3 3a26de9d8e50e579f488189f44019199 [0,1,0,0,0,0|2,0,0]=3 287 B18R3.429012 FC1(CC1)CNCc2ccnc3c2cc[nH]3 286dbf6f66195e9063599759d53696ab [0,1,0,0,0,0|3,0,0]=4 288 B18R3.429012 FC1(CC1)CNCc2ccnc3c2nc[nH]3 93f3f720829e89f8535fb2b3b2e8a5c2 [0,1,0,0,0,0|3,0,0]=4 289 B18R3.429012 FC1(CC1)CNCc2cncc3c2nc[nH]3 75610b6e1493bc63ba9ac99aa06e316f [0,1,0,0,0,0|3,0,0]=4 290 B18R3.429012 FC1(CC1)CNCc2nccc3c2cc[nH]3 e4084587406cac62471d5c296bc06d99 [0,1,0,0,0,0|3,0,0]=4 291 B18R3.429012 FC1(CC1)CNCc2nccc3c2nc[nH]3 d78ab29460e3ebc00e47a9fc55e0abc8 [0,1,0,0,0,0|3,0,0]=4 292 B18R3.429012 FC1(CC1)COCc2cccc3c2[nH]cc3 7ea98cccbb1e5723d9374758d0c658f4 [0,1,0,0,0,0|2,0,0]=3 293 B18R3.429012 FC1(CC1)COCc2cccc3c2[nH]nc3 145d58134e27e0782b7528bcf7983f37 [0,1,0,0,0,0|3,0,0]=4 294 B18R3.429012 FC1(CC1)COCc2cccc3c2cc[nH]3 ca91b3918cf51b7b076fcc13fea62778 [0,1,0,0,0,0|3,0,0]=4 295 B18R3.429012 FC1(CC1)COCc2cccc3c2ccs3 0b108e19405d8a7c5fac49ce5537fca5 [0,1,0,0,0,0|3,0,0]=4 296 B18R3.429012 FC1(CC1)COCc2cccc3c2nc[nH]3 db209276d858b61ce196b840810da4b9 [0,1,0,0,0,0|3,0,0]=4 297 B18R3.429012 FC1(CC1)COCc2cccc3c2nco3 2d9d4ad1a40800b6ddaf0a40a3706e92 [0,1,0,0,0,0|3,0,0]=4 298 B18R3.429012 FC1(CC1)COCc2cccc3c2ncs3 e9796defdce1f917a94db1e8eaf7138f [0,1,0,0,0,0|3,0,0]=4 299 B18R3.429012 FC1(CC1)COCc2cccc3c2occ3 e6262fbbdbff4afe5b9698817a504195 [0,1,0,0,0,0|1,1,0]=3 300 B18R3.429012 FC1(CC1)COCc2cccc3c2ocn3 536632c79b80840de1cc2105e9aed22e [0,1,0,0,0,0|2,1,0]=4 301 B18R3.429012 FC1(CC1)COCc2cccc3c2scc3 5203885c10b79909806a4737f861f8ba [0,1,0,0,0,0|1,0,0]=2 302 B18R3.429012 FC1(CC1)COCc2cccc3c2scn3 d1c3c20cc879135b783acc717965cd1a [0,1,0,0,0,0|2,0,0]=3 303 B18R3.429012 FC1(CC1)COCc2cccc3n2ncc3 147567dedc0d44fc472f5c2e654aa5b6 [0,1,0,0,0,0|3,0,0]=4 304 B18R3.429012 FC1(CC1)COCc2cccn3c2ncc3 67b005bf366daae00759fa7bb7636e1d [0,1,0,0,0,0|3,0,0]=4 305 B18R3.429012 FC1(CC1)COCc2cncc3c2[nH]cc3 a62ff1d20d1a2d76ec08694c0516df95 [0,1,0,0,0,0|3,0,0]=4 306 B18R3.429012 FC1(CC1)COCc2nccc3c2[nH]cc3 8061abe0766f0a12a9afad808c8cd927 [0,1,0,0,0,0|3,0,0]=4 307 B18R3.429012 OC1(CC1)CCNc2cccc3c2scc3 113eb07cba3a3df4f3f58798252ecd9a [0,1,0,0,0,0|2,0,0]=3 308 B18R3.429012 OC1(CC1)CCNc2nccc3c2scc3 9b6edc82d258c9984031af4db377fcc8 [0,1,0,0,0,0|3,0,0]=4 309 B18R3.429012 OC1(CC1)CNCc2cccc3c2[nH]nc3 9b35892258a346e9cb8418f349d1512a [0,1,0,0,0,0|2,0,0]=3 310 B18R3.429012 OC1(CC1)CNCc2cccc3c2ccs3 74d20f1384edf0763bc3253a84d1fc3c [0,1,0,0,0,0|2,0,0]=3 311 B18R3.429012 OC1(CC1)CNCc2cccc3c2cn[nH]3 6e4c3bf6b7e8adf6f34bb0bb20ef2989 [0,1,0,0,0,0|3,0,0]=4 312 B18R3.429012 OC1(CC1)CNCc2cccc3c2nco3 0a0ca29a922c3bf138736b179ff1c462 [0,1,0,0,0,0|2,0,0]=3 313 B18R3.429012 OC1(CC1)CNCc2cccc3c2ncs3 dab929fc15b313d5c92ebc86e9796509 [0,1,0,0,0,0|2,0,0]=3 314 B18R3.429012 OC1(CC1)CNCc2cccc3c2non3 18fabe17a31b58016c6c158f36d210ac [0,1,0,0,0,0|3,0,0]=4 315 B18R3.429012 OC1(CC1)CNCc2cccc3c2nsn3 06be8ceb3a11ab74b32f259e28a4808e [0,1,0,0,0,0|3,0,0]=4 316 B18R3.429012 OC1(CC1)CNCc2cccc3c2ocn3 bd5702be8b77f7df87b9850c001bbe98 [0,1,0,0,0,0|1,1,0]=3 317 B18R3.429012 OC1(CC1)CNCc2cccc3c2scc3 81189f9ed951656b05ad7d9bb1b14333 [0,1,0,0,0,0|0,0,0]=1 318 B18R3.429012 OC1(CC1)CNCc2cccc3c2scn3 7fb2c41002e415e7166b602050a85d09 [0,1,0,0,0,0|1,0,0]=2 319 B18R3.429012 OC1(CC1)CNCc2cccc3n2ncc3 41acd0ca4fd854e56eb055a013fb97ec [0,1,0,0,0,0|2,0,0]=3 320 B18R3.899786 Brc1ccc(c2c1cc[nH]2)OCCC3CC3 77065bca0159b807e4e43a9eab71cfd5 [0,1,0,0,0,0|3,0,0]=4 321 B18R3.899786 Brc1ccc(c2c1nsn2)CNCC3CC3 b27a89f02228536e73eb22324e49d82e [0,1,0,0,0,0|3,0,0]=4 322 B18R3.899786 Clc1ccc(c2c1[nH]cc2)COCC3CC3 956a4e13f8192100ea257118afd0a679 [0,1,0,0,0,0|3,0,0]=4 323 B18R3.899786 Clc1ccc(c2c1cc[nH]2)NCCC3CC3 92a0528bbe0bba031ab3e511053e370b [0,1,0,0,0,0|3,0,0]=4 324 B18R3.899786 Clc1ccc(c2c1cc[nH]2)OCCC3CC3 13478992dfedbc943a3ad26137988f16 [0,1,0,0,0,0|3,0,0]=4 325 B18R3.899786 Fc1ccc(c2c1cc[nH]2)NCCC3CC3 17e9052aa8b1c22e22df3c2c916892f8 [0,1,0,0,0,0|3,0,0]=4 326 B18R3.1018401 CC(NCC1CC1)c2cccc3c2[nH]cc3 2e69186f4255b22c495ac3a9983541ae [0,1,0,0,0,0|1,0,0]=2 327 B18R3.1018401 CC(NCC1CC1)c2cccc3c2cn[nH]3 6b218cc43e1509216e8feaa35ee5cbf4 [0,1,0,0,0,0|3,0,0]=4 328 B18R3.1018401 CC(NCC1CC1)c2cccn3c2nnc3 82c8a38ed40f8f94c458e32ee5b457ec [0,1,0,0,0,0|3,0,0]=4 329 B18R3.1018401 CC(OCC1CC1)c2cccc3c2CC=C3 408bd36613e9c380e01834cd0f6ecfd4 [0,1,0,0,0,0|2,0,0]=3 330 B18R3.1018401 C[C@@H](NCC1CC1)c2cccc3c2CCC3 8c897a6f6979eae2c84dd9850d94934d [0,1,0,0,0,0|1,0,2]=4 331 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cco3 42993619d23d4a7893cb18a7bb397538 [0,1,0,0,0,0|2,0,1]=4 332 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ccs3 24055ac36b883cc0f6d1182412182232 [0,1,0,0,0,0|2,0,1]=4 333 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2nco3 91fc76ffa3821b7e4665a3e9045da1b0 [0,1,0,0,0,0|2,0,1]=4 334 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ncs3 7178907fa75fb192ea1cab0a165f12f7 [0,1,0,0,0,0|2,0,1]=4 335 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2occ3 e40235edd635d21820fcb3ded7aa33e2 [0,1,0,0,0,0|0,1,1]=3 336 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ocn3 1d941cac3d968193d4b79272b6a63cb5 [0,1,0,0,0,0|1,1,1]=4 337 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scc3 e6620e7420580d906e40a1254d6f65e9 [0,1,0,0,0,0|0,0,1]=2 338 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scn3 ef213f1570ffcc8d90ade91e6b4fa365 [0,1,0,0,0,0|1,0,1]=3 339 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2snc3 ce8fcc48b823d216e2a72781c57a0ff4 [0,1,0,0,0,0|1,0,1]=3 340 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2snn3 ad1b46ff93e91158ca926be7ab8248b1 [0,1,0,0,0,0|2,0,1]=4 341 B18R3.1018401 O=C(NCC1CC1)c2cccc3n2ncc3 41a190d20cb5e39c53df7b82ed2a6637 [0,1,0,0,0,0|2,0,1]=4 342 B18R3.1018401 O=C(NCC1CC1)c2cccn3c2ccc3 241ffa6a110938a95cddc9b88aaf659a [0,1,0,0,0,0|2,0,1]=4 343 B18R3.1018401 O=C(NCC1CC1)c2cccn3c2ncc3 bc5de2fac9afcd629f2676456a644e9c [0,1,0,0,0,0|2,0,1]=4 344 B18R3.1018401 O=C(NCC1CC1)c2ccnc3c2occ3 ef803692a56eb79a0d3fe2ddd247b441 [0,1,0,0,0,0|1,1,1]=4 345 B18R3.1018401 O=C(NCC1CC1)c2ccnc3c2scc3 f95a8bd68210cdc2e359a53b2043ae40 [0,1,0,0,0,0|1,0,1]=3 346 B18R3.1018401 O=C(NCC1CC1)c2cncc3c2occ3 7bfe78d41d4164a79cda5f31e46e30b9 [0,1,0,0,0,0|1,1,1]=4 347 B18R3.1018401 O=C(NCC1CC1)c2nccc3c2occ3 5aef201e681895393f88403efb7ca8ce [0,1,0,0,0,0|1,1,1]=4 348 B18R3.1018401 O=C(NCC1CC1)c2nccc3c2scc3 aad834b73e7ab82ba1c658ac4c6b8cd1 [0,1,0,0,0,0|1,0,1]=3 349 B18R3.1018401 O=C(NCC1CC1)c2ncnc3c2scc3 7c55f6427c9edf6c45a73a007012a1fc [0,1,0,0,0,0|2,0,1]=4 350 B18R3.1018550 CC(NCc1cccc2c1CCO2)C3CC3 d094ccd136aafdec4b950050a8fe6628 [0,1,0,0,0,0|2,0,1]=4 351 B18R3.1018550 CC(NCc1cccc2c1[nH]cc2)C3CC3 cc38772a93cf651eabfda0219cc18d3e [0,1,0,0,0,0|1,0,0]=2 352 B18R3.1018550 CC(NCc1cccc2c1[nH]nc2)C3CC3 0342d69f0a5f2094e66981218da66949 [0,1,0,0,0,0|2,0,0]=3 353 B18R3.1018550 CC(NCc1cccc2c1cc[nH]2)C3CC3 efd1a7acb7f90be58c866f61828ec511 [0,1,0,0,0,0|2,0,0]=3 354 B18R3.1018550 CC(NCc1cccc2c1ccs2)C3CC3 bd4a43d7bf2007401bc331c6f966e5f0 [0,1,0,0,0,0|2,0,0]=3 355 B18R3.1018550 CC(NCc1cccc2c1cn[nH]2)C3CC3 46b9663295dbe5c6c023df3e70a92285 [0,1,0,0,0,0|3,0,0]=4 356 B18R3.1018550 CC(NCc1cccc2c1nsn2)C3CC3 7437980af7cc588c258af09856da4fe6 [0,1,0,0,0,0|3,0,0]=4 357 B18R3.1018550 CC(NCc1cccc2c1occ2)C3CC3 85dd3ef765bba24086203a2c638bd99a [0,1,0,0,0,0|0,1,0]=2 358 B18R3.1018550 CC(NCc1cccc2c1scc2)C3CC3 8627032aecd9a9c83af22218e70ab217 [0,1,0,0,0,0|0,0,0]=1 359 B18R3.1018550 CC(NCc1cccc2c1scn2)C3CC3 adc53915be53030b36b2d9dd18931581 [0,1,0,0,0,0|1,0,0]=2 360 B18R3.1018550 CC(NCc1cccc2n1ncc2)C3CC3 dbd99053ca30e89a196ac6b1aed9ea6a [0,1,0,0,0,0|2,0,0]=3 361 B18R3.1018550 CC(NCc1cccc2n1ncn2)C3CC3 e9ec4a96a02fd03bd7fed9a638cb6200 [0,1,0,0,0,0|3,0,0]=4 362 B18R3.1018550 CC(NCc1cccn2c1ccn2)C3CC3 df611db9997d012fced57e0157132011 [0,1,0,0,0,0|3,0,0]=4 363 B18R3.1018550 CC(NCc1cccn2c1ncc2)C3CC3 016b141d8c4764d9fd37d94803e98808 [0,1,0,0,0,0|2,0,0]=3 364 B18R3.1018550 CC(NCc1ccnc2c1cc[nH]2)C3CC3 71ef368ca7f37d3ffc495583a2f3be7b [0,1,0,0,0,0|3,0,0]=4 365 B18R3.1018550 CC(NCc1ccnc2c1nc[nH]2)C3CC3 8165b9328fbfb303665937825d4f40bb [0,1,0,0,0,0|3,0,0]=4 366 B18R3.1018550 CC(NCc1cncc2c1nc[nH]2)C3CC3 577791dcb0c74b47327a106bf2543466 [0,1,0,0,0,0|3,0,0]=4 367 B18R3.1018550 CC(NCc1nccc2c1cc[nH]2)C3CC3 68cc8b9485850a84cb8e83a473a76089 [0,1,0,0,0,0|3,0,0]=4 368 B18R3.1018550 CC(NCc1nccc2c1nc[nH]2)C3CC3 041c5c5e8d664e9ad1dabd10e68a18a1 [0,1,0,0,0,0|3,0,0]=4 369 B18R3.1018550 CC(OCc1cccc2c1ccs2)C3CC3 48b61a77f76ec18ed2593e606edde1ba [0,1,0,0,0,0|3,0,0]=4 370 B18R3.1018550 CC(OCc1cccc2c1nco2)C3CC3 3b48542666f9ed7f7bb2723c6dcf1463 [0,1,0,0,0,0|3,0,0]=4 371 B18R3.1018550 CC(OCc1cccc2c1ncs2)C3CC3 4d442e63dcd297574e4452f705c91909 [0,1,0,0,0,0|3,0,0]=4 372 B18R3.1018550 CC(OCc1cccc2c1occ2)C3CC3 ac1559180ba82a5d79e42c57cc76f249 [0,1,0,0,0,0|1,1,0]=3 373 B18R3.1018550 CC(OCc1cccc2c1scc2)C3CC3 6a3bc9b1c8537a6afbdf292695e773f8 [0,1,0,0,0,0|1,0,0]=2 374 B18R3.1018550 CC(OCc1cccc2n1ncc2)C3CC3 c879984c03ce4af66b063764e24f1541 [0,1,0,0,0,0|3,0,0]=4 375 B18R3.1018550 CC(OCc1cccn2c1ncc2)C3CC3 4037fd80c6c101c058c96f987dc20fd3 [0,1,0,0,0,0|3,0,0]=4 376 B18R3.1018550 C[C@@H](NCc1cccc2c1[nH]nc2)C3CC3 bea3bcbc1e6291b5a52ab82c9459207c [0,1,0,0,0,0|2,0,0]=3 377 B18R3.1018550 C[C@@H](NCc1cccc2c1ccs2)C3CC3 b94d2e382f91654cff60ea2a0ec4d35e [0,1,0,0,0,0|2,0,0]=3 378 B18R3.1018550 C[C@@H](NCc1cccc2c1cn[nH]2)C3CC3 c6a459cb9882c006f75071ca80bca6b6 [0,1,0,0,0,0|3,0,0]=4 379 B18R3.1018550 C[C@@H](NCc1cccc2c1nco2)C3CC3 7ca5956cc0bfacf802d9cff245054254 [0,1,0,0,0,0|2,0,0]=3 380 B18R3.1018550 C[C@@H](NCc1cccc2c1ncs2)C3CC3 1ffc153642ca9bd4da7fc059b897db31 [0,1,0,0,0,0|2,0,0]=3 381 B18R3.1018550 C[C@@H](NCc1cccc2c1non2)C3CC3 5b7d8893b6f569a5f3a4b030cf11502c [0,1,0,0,0,0|3,0,0]=4 382 B18R3.1018550 C[C@@H](NCc1cccc2c1nsn2)C3CC3 f8e0abe08544b58ac64dcf5d34685b7e [0,1,0,0,0,0|3,0,0]=4 383 B18R3.1018550 C[C@@H](NCc1cccc2c1ocn2)C3CC3 83b6379e15aec9f9f9e13d349b5d6c7d [0,1,0,0,0,0|1,1,0]=3 384 B18R3.1018550 C[C@@H](NCc1cccc2c1scc2)C3CC3 6f20d280c1b2fffdbdf5a395ec0d177c [0,1,0,0,0,0|0,0,0]=1 385 B18R3.1018550 C[C@@H](NCc1cccc2n1ncc2)C3CC3 7546af0759fa3782833dc110706888b9 [0,1,0,0,0,0|2,0,0]=3 386 B18R3.1018550 C[C@@H](OCc1cccc2c1ccs2)C3CC3 ca5ece9d3485ddb1a7041fb4a37b45a1 [0,1,0,0,0,0|3,0,0]=4 387 B18R3.1018550 C[C@@H](OCc1cccc2c1nco2)C3CC3 96a4b0555177b2b61978015f6fd17e8e [0,1,0,0,0,0|3,0,0]=4 388 B18R3.1018550 C[C@@H](OCc1cccc2c1ncs2)C3CC3 1474acae09bf2e05d84805926675a0ff [0,1,0,0,0,0|3,0,0]=4 389 B18R3.1018550 C[C@@H](OCc1cccc2c1scc2)C3CC3 866fc83380d93182ada59f78e456b7e8 [0,1,0,0,0,0|1,0,0]=2 390 B18R3.1018550 C[C@@H](OCc1cccc2n1ncc2)C3CC3 65cd985713eaec85d372b480043998f6 [0,1,0,0,0,0|3,0,0]=4 391 B18R3.1018550 C[C@H](NCc1cccc2c1[nH]nc2)C3CC3 1086259c52d2fc9a3dd647751be751cc [0,1,0,0,0,0|2,0,0]=3 392 B18R3.1018550 C[C@H](NCc1cccc2c1ccs2)C3CC3 4e111db3b05d528f593bb1148801d854 [0,1,0,0,0,0|2,0,0]=3 393 B18R3.1018550 C[C@H](NCc1cccc2c1cn[nH]2)C3CC3 808a2662133a5240f0d4a83d80c72353 [0,1,0,0,0,0|3,0,0]=4 394 B18R3.1018550 C[C@H](NCc1cccc2c1nco2)C3CC3 c151ff03f0a22cb5d3cf8297689a0450 [0,1,0,0,0,0|2,0,0]=3 395 B18R3.1018550 C[C@H](NCc1cccc2c1ncs2)C3CC3 cc57a72afb26edc63b2d4c77a09648a3 [0,1,0,0,0,0|2,0,0]=3 396 B18R3.1018550 C[C@H](NCc1cccc2c1non2)C3CC3 bc85005350a7f02484b279680a574426 [0,1,0,0,0,0|3,0,0]=4 397 B18R3.1018550 C[C@H](NCc1cccc2c1nsn2)C3CC3 2a0b5a4ef86deb37bff7a27f75c14328 [0,1,0,0,0,0|3,0,0]=4 398 B18R3.1018550 C[C@H](NCc1cccc2c1ocn2)C3CC3 028d03f7631cd6c0b76b93b4fdc7f382 [0,1,0,0,0,0|1,1,0]=3 399 B18R3.1018550 C[C@H](NCc1cccc2c1scc2)C3CC3 5aada01b807aae4f47c55ccd41546f80 [0,1,0,0,0,0|0,0,0]=1 400 B18R3.1018550 C[C@H](NCc1cccc2n1ncc2)C3CC3 f649458f4ef259707c719b2893466ab6 [0,1,0,0,0,0|2,0,0]=3 401 B18R3.1018550 C[C@H](OCc1cccc2c1ccs2)C3CC3 9ab9d9a62ae4b69f76a279f5aed7fd83 [0,1,0,0,0,0|3,0,0]=4 402 B18R3.1018550 C[C@H](OCc1cccc2c1nco2)C3CC3 ff13f3d33143d6014ba46ab191de044a [0,1,0,0,0,0|3,0,0]=4 403 B18R3.1018550 C[C@H](OCc1cccc2c1ncs2)C3CC3 4ff88b1990692c003a1999a4564653a1 [0,1,0,0,0,0|3,0,0]=4 404 B18R3.1018550 C[C@H](OCc1cccc2c1scc2)C3CC3 2e081ffa321a24a716efdf0d6b9cd46a [0,1,0,0,0,0|1,0,0]=2 405 B18R3.1018550 C[C@H](OCc1cccc2n1ncc2)C3CC3 a927b72258d8a12f1d1e031f06c57d22 [0,1,0,0,0,0|3,0,0]=4 406 B18R3.1018550 O=C(COc1cccc2c1scc2)C3CC3 e44fcdb4379be94fb1087dba39ddd63f [0,1,0,0,0,0|2,0,1]=4 407 B18R3.1018550 OC(CNc1cccc2c1[nH]cc2)C3CC3 6a769a82bebaff0ba08ab7e9df4abe4c [0,1,0,0,0,0|3,0,0]=4 408 B18R3.1018550 OC(CNc1cccc2c1occ2)C3CC3 5278e0a0454cefdefd0548f852660189 [0,1,0,0,0,0|2,1,0]=4 409 B18R3.1018550 OC(CNc1cccc2c1scc2)C3CC3 b47e442fde182907bbfa68d7ef968923 [0,1,0,0,0,0|2,0,0]=3 410 B18R3.1018550 OC(CNc1cccc2c1scn2)C3CC3 d6bfd7c9958099de9546460e046f79cb [0,1,0,0,0,0|3,0,0]=4 411 B18R3.1018550 OC(CNc1cccc2c1snc2)C3CC3 2d580882d9aeaeef3458be9942f062d7 [0,1,0,0,0,0|3,0,0]=4 412 B18R3.1018550 OC(CNc1ccnc2c1scc2)C3CC3 8fef9c9b9e718e8d20747aeb85ba007d [0,1,0,0,0,0|3,0,0]=4 413 B18R3.1018550 OC(CNc1nccc2c1scc2)C3CC3 ff67cbae2078f830f1a260318ca58abe [0,1,0,0,0,0|3,0,0]=4 414 B18R3.4050303 Cn1ccc2c1c(ccc2)CNCC3CC3 648a6a3d10c39122d72ed65384d2e36d [0,1,0,0,0,0|1,0,0]=2 415 B18R3.4050303 Cn1ccc2c1c(ccc2)COCC3CC3 53c0b2e7213099910094b30978968769 [0,1,0,0,0,0|2,0,0]=3 416 B18R3.4050303 Cn1ccc2c1c(ccc2)NCCC3CC3 5455dbd82494551b387a7f1b4be6134d [0,1,0,0,0,0|3,0,0]=4 417 B18R3.4050303 Cn1ncc2c1c(ccc2)CNCC3CC3 858724d8df73155edaf19316d57b0e46 [0,1,0,0,0,0|2,0,0]=3 418 B18R3.4050303 Cn1ncc2c1c(ccc2)COCC3CC3 bf4cc9a73d69627bd1e7323e4f179438 [0,1,0,0,0,0|3,0,0]=4 419 B16R2.2697 COc1c(cccc1CNCC2CC2)Br 14c6ef0b0a5ad4b56804b7e837f00d68 [0,0,1,0,0,0|1,1,1]=4 420 B16R2.2697 COc1c(cccc1CNCC2CC2)C abbb32ccde51db495588e1984621461e [0,0,1,0,0,0|0,1,2]=4 421 B16R2.2697 COc1c(cccc1CNCC2CC2)Cl b219c892e7b46ae16cbaf22eec05cf82 [0,0,1,0,0,0|1,1,1]=4 422 B16R2.2697 COc1c(cccc1CNCC2CC2)F 8a6cffad2245019e153e1d550155601e [0,0,1,0,0,0|1,1,1]=4 423 B16R2.2697 CSc1c(cccc1COCC2CC2)Br 878caba2fa56071090fefb78c65a8844 [0,0,1,0,0,0|2,0,1]=4 424 B16R2.2697 CSc1c(cccc1COCC2CC2)F 3e5124454438524bf33313e8ef4ba005 [0,0,1,0,0,0|2,0,1]=4 425 B16R2.2697 Cc1cccc(c1C#N)CNCC2CC2 989593ce984656f0751b8fdeefa2d2fe [0,0,1,0,0,0|2,0,1]=4 426 B16R2.2697 N#Cc1c(cccc1CNCC2CC2)Br eac45e88282981ec3644daaf10a867d0 [0,0,1,0,0,0|3,0,0]=4 427 B16R2.2697 N#Cc1c(cccc1CNCC2CC2)F 41291e94933dec1a818371131a350f88 [0,0,1,0,0,0|3,0,0]=4 428 B16R2.7450 C=Cc1cccc(c1F)NCCC2CC2 1c5bc682c55aec351d5d699ffd9330de [0,0,1,0,0,0|3,0,0]=4 429 B16R2.7450 COc1cccc(c1Br)CNCC2CC2 e310f1b31bcb708fdd8ca37b9cf8aaf1 [0,0,1,0,0,0|2,0,1]=4 430 B16R2.7450 COc1cccc(c1C)CNCC2CC2 fd5222cbd56fe83a6656919e2ed2219c [0,0,1,0,0,0|2,0,1]=4 431 B16R2.7450 COc1cccc(c1Cl)CNCC2CC2 7e1b378b55c56c101259238bf8f52f79 [0,0,1,0,0,0|2,0,1]=4 432 B16R2.7450 COc1cccc(c1F)CNCC2CC2 a62c031e510354fd11cef187cff88dae [0,0,1,0,0,0|2,0,1]=4 433 B16R2.7450 N#Cc1cccc(c1Br)CNCC2CC2 a8935e7771da0be78a5b2b5b331b03ab [0,0,1,0,0,0|2,0,1]=4 434 B16R2.7450 N#Cc1cccc(c1Cl)CNCC2CC2 0d7c49d77227eb6465e5c0bbb1b457db [0,0,1,0,0,0|2,0,1]=4 435 B16R2.7450 N#Cc1cccc(c1F)CNCC2CC2 7b0ef48d79f0b226c5b91f041f9d8038 [0,0,1,0,0,0|2,0,1]=4 436 B16R2.7450 O=Cc1cccc(c1F)CNCC2CC2 029e0b42e687074bf4af838a9839ddc6 [0,0,1,0,0,0|2,0,0]=3 437 B16R2.7450 O=Cc1cccc(c1F)COCC2CC2 54652e923155c150a79f1ab412872a3b [0,0,1,0,0,0|3,0,0]=4 438 B16R2.7450 OCc1cccc(c1F)CNCC2CC2 4a6ae9b302cb8999294da8c60a155449 [0,0,1,0,0,0|2,0,1]=4 439 B16R2.11632 C#CCCNCc1cccc2c1[nH]cc2 46c9c80925c71131ec2dcb4c9e59ad6b [0,0,1,0,0,0|1,0,2]=4 440 B16R2.11632 C#CCCNCc1cccc2c1occ2 6fc5698dce80b3f97104d739d0846fd9 [0,0,1,0,0,0|0,1,2]=4 441 B16R2.11632 C#CCCNCc1cccc2c1scc2 4cd52dc17ea53907bc7591702dba4052 [0,0,1,0,0,0|0,0,2]=3 442 B16R2.11632 C#CCCNCc1cccc2c1scn2 815a137f24985676edcf095024a8d778 [0,0,1,0,0,0|1,0,2]=4 443 B16R2.11632 C#CCCOCc1cccc2c1scc2 963a9b44c855decbacddc545230b16bf [0,0,1,0,0,0|1,0,2]=4 444 B16R2.11632 C/C=C/CNCc1cccc2c1[nH]cc2 a1616210d6132b1c03d6952ee97f4266 [0,0,1,0,0,0|1,0,2]=4 445 B16R2.11632 C/C=C/CNCc1cccc2c1occ2 f2de3c8043585ac71ffc12705839a21e [0,0,1,0,0,0|0,1,2]=4 446 B16R2.11632 C/C=C/CNCc1cccc2c1scc2 be0298b48661aae75544f5be7539e62d [0,0,1,0,0,0|0,0,2]=3 447 B16R2.11632 C/C=C/CNCc1cccc2c1scn2 6ddfd182dde3333217c4dd17583a6a1a [0,0,1,0,0,0|1,0,2]=4 448 B16R2.11632 C/C=C/COCc1cccc2c1scc2 3611512e67fb750aaf7f06a4e094dc89 [0,0,1,0,0,0|1,0,2]=4 449 B16R2.11632 C/C=C\CNCc1cccc2c1[nH]cc2 228694fe32ea4ee8aa7b81921ec3f76d [0,0,1,0,0,0|1,0,2]=4 450 B16R2.11632 C/C=C\CNCc1cccc2c1occ2 f9cba33e2b9cd73e113b51fd3c120507 [0,0,1,0,0,0|0,1,2]=4 451 B16R2.11632 C/C=C\CNCc1cccc2c1scc2 945200bab6271a8d115ca4de0579ba57 [0,0,1,0,0,0|0,0,2]=3 452 B16R2.11632 C/C=C\CNCc1cccc2c1scn2 531840f904c84f418f6001d3cf240fe3 [0,0,1,0,0,0|1,0,2]=4 453 B16R2.11632 C/C=C\COCc1cccc2c1scc2 8d5829c268c1acf245ef829d6eb770fe [0,0,1,0,0,0|1,0,2]=4 454 B16R2.11632 C=CCCNCc1cccc2c1[nH]cc2 b0d59892b5bbff764e8bab2e92c31a52 [0,0,1,0,0,0|1,0,2]=4 455 B16R2.11632 C=CCCNCc1cccc2c1occ2 e7b333549ca50c35a3c28031d9d96e95 [0,0,1,0,0,0|0,1,2]=4 456 B16R2.11632 C=CCCNCc1cccc2c1scc2 66d25669232b983db4616a4f153655c1 [0,0,1,0,0,0|0,0,2]=3 457 B16R2.11632 C=CCCNCc1cccc2c1scn2 74d963f74488f6a5e1bce4af19848103 [0,0,1,0,0,0|1,0,2]=4 458 B16R2.11632 C=CCCOCc1cccc2c1scc2 d43b7ff784603c480ffaa281a97daf75 [0,0,1,0,0,0|1,0,2]=4 459 B16R2.11632 CC#CCNCc1cccc2c1scc2 7a09a0f81f607646a0e11a0d71543a1c [0,0,1,0,0,0|0,0,2]=3 460 B16R2.11632 CC#CCOCc1cccc2c1scc2 a5430073777a98c5277b1efafa73af31 [0,0,1,0,0,0|1,0,2]=4 461 B16R2.11632 CC=CCNCc1cccc2c1scc2 e79165afe868e81a0574f7118c1a9e11 [0,0,1,0,0,0|0,0,2]=3 462 B16R2.11632 CC=CCNCc1cccc2c1scn2 eac6bdd12270b9cd33d62b0aec91e53e [0,0,1,0,0,0|1,0,2]=4 463 B16R2.11632 CC=CCOCc1cccc2c1scc2 b5c4bfd2addd7a912c8c8574637bd89b [0,0,1,0,0,0|1,0,2]=4 464 B16R2.11632 CCCCCNc1cccc2c1CC=C2 ffb4a5d4ab63d55364f31ea9c8758379 [0,0,1,0,0,0|3,0,0]=4 465 B16R2.11632 CCCCCNc1cccc2c1[nH]cc2 e5bc04bd7a6a8ff2f5cc49378ac38e28 [0,0,1,0,0,0|3,0,0]=4 466 B16R2.11632 CCCCCNc1cccc2c1occ2 1da6ff49a7dceda0fada5d2074c01e6e [0,0,1,0,0,0|2,1,0]=4 467 B16R2.11632 CCCCCNc1cccc2c1scc2 7d39e78e36fbe381ac17c1a5e4bcb1e6 [0,0,1,0,0,0|2,0,0]=3 468 B16R2.11632 CCCCCNc1cccc2c1scn2 8e8195bfb8de70337be7a3303e86dfe1 [0,0,1,0,0,0|3,0,0]=4 469 B16R2.11632 CCCCCNc1cccc2c1snc2 421832738ba0835256d192c2ea3cb11a [0,0,1,0,0,0|3,0,0]=4 470 B16R2.11632 CCCCCNc1ccnc2c1scc2 9e0f73f544c8289f84fb1665fb8e6b44 [0,0,1,0,0,0|3,0,0]=4 471 B16R2.11632 CCCCCNc1nccc2c1scc2 d1b0cab80e8abb9f990a98ca9a37d867 [0,0,1,0,0,0|3,0,0]=4 472 B16R2.11632 CCCCCOc1cccc2c1[nH]cc2 5071a5e7df84524cb288d340d51f7415 [0,0,1,0,0,0|3,0,0]=4 473 B16R2.11632 CCCCCOc1cccc2c1occ2 4a7403d5b2cc5fa2a9f9a97fce1a58a1 [0,0,1,0,0,0|2,1,0]=4 474 B16R2.11632 CCCCCOc1cccc2c1scc2 8e430501fc19b43a49dddcb3aa67c722 [0,0,1,0,0,0|2,0,0]=3 475 B16R2.11632 CCCCCOc1cccc2c1scn2 238be12649d86cf527160ab4a23ac72a [0,0,1,0,0,0|3,0,0]=4 476 B16R2.11632 CCCCCOc1ccnc2c1scc2 7068d80c37770b59ebd026fa623f1248 [0,0,1,0,0,0|3,0,0]=4 477 B16R2.11632 CCCCNCc1cccc2c1CCO2 41c34a163c373e385ed7ad10718500e7 [0,0,1,0,0,0|2,0,1]=4 478 B16R2.11632 CCCCNCc1cccc2c1[nH]cc2 574a16b87f60fe45ba237122f34900e2 [0,0,1,0,0,0|1,0,0]=2 479 B16R2.11632 CCCCNCc1cccc2c1[nH]nc2 d13c59ffa4670ab11bf5cf89813134e6 [0,0,1,0,0,0|2,0,0]=3 480 B16R2.11632 CCCCNCc1cccc2c1cc[nH]2 ca0f262b925f5533d98243a803695c45 [0,0,1,0,0,0|2,0,0]=3 481 B16R2.11632 CCCCNCc1cccc2c1ccs2 2c506425d9e4a297e6bb5c654372397e [0,0,1,0,0,0|2,0,0]=3 482 B16R2.11632 CCCCNCc1cccc2c1cn[nH]2 a98c4e0e0130998dfc5e2459f7156128 [0,0,1,0,0,0|3,0,0]=4 483 B16R2.11632 CCCCNCc1cccc2c1nco2 5ed41d61daa34fef9892e3a5deac711c [0,0,1,0,0,0|2,0,0]=3 484 B16R2.11632 CCCCNCc1cccc2c1ncs2 32e94e6d8e64b8a08b0a6cc011b85673 [0,0,1,0,0,0|2,0,0]=3 485 B16R2.11632 CCCCNCc1cccc2c1non2 33b1a61cbe149cb1bfaa1a8dc891e779 [0,0,1,0,0,0|3,0,0]=4 486 B16R2.11632 CCCCNCc1cccc2c1nsn2 c899c379e9c53e6b3423e7741da8b5e4 [0,0,1,0,0,0|3,0,0]=4 487 B16R2.11632 CCCCNCc1cccc2c1occ2 340be4fded6d940e8b49ba1c01379972 [0,0,1,0,0,0|0,1,0]=2 488 B16R2.11632 CCCCNCc1cccc2c1ocn2 a2ff4c9114785f758239d2ccf6305c05 [0,0,1,0,0,0|1,1,0]=3 489 B16R2.11632 CCCCNCc1cccc2c1scc2 b488df5db70f807d7f0e7d805e9e87a9 [0,0,1,0,0,0|0,0,0]=1 490 B16R2.11632 CCCCNCc1cccc2c1scn2 6dd1eda897f9958d6d06142e46590603 [0,0,1,0,0,0|1,0,0]=2 491 B16R2.11632 CCCCNCc1cccc2n1ncc2 0998f55ba253500a9f1592d43ac28632 [0,0,1,0,0,0|2,0,0]=3 492 B16R2.11632 CCCCNCc1cccc2n1ncn2 f943c2c29b1243516261365d0cb2fc8e [0,0,1,0,0,0|3,0,0]=4 493 B16R2.11632 CCCCNCc1cccn2c1ccn2 2067f4106df23968e1214bd0dcc5ce50 [0,0,1,0,0,0|3,0,0]=4 494 B16R2.11632 CCCCNCc1cccn2c1ncc2 ba34b7a49d66d51ca84b5a931b941fe1 [0,0,1,0,0,0|2,0,0]=3 495 B16R2.11632 CCCCNCc1ccnc2c1cc[nH]2 678a3f5798f25960dbecc529000b9029 [0,0,1,0,0,0|3,0,0]=4 496 B16R2.11632 CCCCNCc1ccnc2c1nc[nH]2 d2080a90fe5d32d6d2200987340686f2 [0,0,1,0,0,0|3,0,0]=4 497 B16R2.11632 CCCCNCc1cncc2c1nc[nH]2 209402b632761b6566c40618bbf0ded4 [0,0,1,0,0,0|3,0,0]=4 498 B16R2.11632 CCCCNCc1nccc2c1cc[nH]2 5953a2c630757be8066c8664b81b6bb4 [0,0,1,0,0,0|3,0,0]=4 499 B16R2.11632 CCCCNCc1nccc2c1nc[nH]2 59732be6b8869db7720afacec59d58a7 [0,0,1,0,0,0|3,0,0]=4 500 B16R2.11632 CCCCOCc1cccc2c1[nH]cc2 e591826b970abc74571a823e15633abf [0,0,1,0,0,0|2,0,0]=3 501 B16R2.11632 CCCCOCc1cccc2c1[nH]nc2 1593159e6d08f607cbb12d4ba4528baf [0,0,1,0,0,0|3,0,0]=4 502 B16R2.11632 CCCCOCc1cccc2c1cc[nH]2 c7c43f780927cf369b8edb92c9bbb464 [0,0,1,0,0,0|3,0,0]=4 503 B16R2.11632 CCCCOCc1cccc2c1ccs2 780bd74084ccfda20973347d5c1072f5 [0,0,1,0,0,0|3,0,0]=4 504 B16R2.11632 CCCCOCc1cccc2c1nc[nH]2 cb0014bc93aa100c2fe61e2e4abdfe0b [0,0,1,0,0,0|3,0,0]=4 505 B16R2.11632 CCCCOCc1cccc2c1nco2 02968d01b3d59daf5ee633e1a314e6ae [0,0,1,0,0,0|3,0,0]=4 506 B16R2.11632 CCCCOCc1cccc2c1ncs2 b08173226af29290d48196f9e2876a64 [0,0,1,0,0,0|3,0,0]=4 507 B16R2.11632 CCCCOCc1cccc2c1occ2 b6669363cc155db7dd0840b28ea45b94 [0,0,1,0,0,0|1,1,0]=3 508 B16R2.11632 CCCCOCc1cccc2c1ocn2 fab1325fb102ae91b583ccb30d1c3942 [0,0,1,0,0,0|2,1,0]=4 509 B16R2.11632 CCCCOCc1cccc2c1scc2 e0cb4c367778e2c94cc72f640f3a8514 [0,0,1,0,0,0|1,0,0]=2 510 B16R2.11632 CCCCOCc1cccc2c1scn2 cc91b60a19496ddca196c489bf107273 [0,0,1,0,0,0|2,0,0]=3 511 B16R2.11632 CCCCOCc1cccc2n1ncc2 15e0ae0d3f7c97afaa9f6a1804ef4440 [0,0,1,0,0,0|3,0,0]=4 512 B16R2.11632 CCCCOCc1cccn2c1ncc2 e4f1ca220a824a64460d8429a2ea1386 [0,0,1,0,0,0|3,0,0]=4 513 B16R2.11632 CCCCOCc1cncc2c1[nH]cc2 af099321e05e938ce195ee860a5ef162 [0,0,1,0,0,0|3,0,0]=4 514 B16R2.11632 CCCCOCc1nccc2c1[nH]cc2 089e603ebd2fe9c1b4d01ff46f19f023 [0,0,1,0,0,0|3,0,0]=4 515 B16R2.11632 CCNCCCc1cccc2c1[nH]cc2 fc528e47c99c7f32d4901482fceff464 [0,0,1,0,0,0|3,0,0]=4 516 B16R2.11632 CCOCCNc1cccc2c1scc2 8887639ab5bea9bf977070fc8bbf8cc0 [0,0,1,0,0,0|3,0,0]=4 517 B16R2.11632 CCOCCOc1cccc2c1scc2 f9de91b8060169944716787f66cc8f9d [0,0,1,0,0,0|3,0,0]=4 518 B16R2.11632 CCOCNCc1cccc2c1[nH]cc2 634f67747e54023f5403e32b320ee7fa [0,0,1,0,0,0|2,0,0]=3 519 B16R2.11632 CCOCNCc1cccc2c1[nH]nc2 656a629df8ae47a9e55b1a1486852b79 [0,0,1,0,0,0|3,0,0]=4 520 B16R2.11632 CCOCNCc1cccc2c1cc[nH]2 c55dbfacc5192552a32792e998b791c6 [0,0,1,0,0,0|3,0,0]=4 521 B16R2.11632 CCOCNCc1cccc2c1ccs2 b78edce96e4787460248b4a21c6129f5 [0,0,1,0,0,0|3,0,0]=4 522 B16R2.11632 CCOCNCc1cccc2c1scc2 f11b8e4890a13da98b909139f6ebde43 [0,0,1,0,0,0|1,0,0]=2 523 B16R2.11632 CCOCNCc1cccc2c1scn2 70a9734b2612c6972eb0c6e7569f4ef6 [0,0,1,0,0,0|2,0,0]=3 524 B16R2.11632 CCOCNCc1cccc2n1ncc2 6e76345a89bbd1115e547c57814c0795 [0,0,1,0,0,0|3,0,0]=4 525 B16R2.11632 CCOCNCc1cccn2c1ncc2 c0efe3cd61554bee3edeeeac111fe79d [0,0,1,0,0,0|3,0,0]=4 526 B16R2.11632 CCOCOCc1cccc2c1[nH]cc2 913e0f540c811c5d1db583c4d46d53de [0,0,1,0,0,0|3,0,0]=4 527 B16R2.11632 CCSCCOc1cccc2c1scc2 00de3d0474cd414504743a339ec7f972 [0,0,1,0,0,0|3,0,0]=4 528 B16R2.11632 COCCCNc1cccc2c1scc2 effc875df6a375729cf2c506ee547424 [0,0,1,0,0,0|3,0,0]=4 529 B16R2.11632 COCCCOc1cccc2c1scc2 3562f0d26477bcc34a1683e67af5048a [0,0,1,0,0,0|3,0,0]=4 530 B16R2.11632 COCCNCc1cccc2c1[nH]cc2 4da4ed53c2f90d8b0a198b30da5fcef0 [0,0,1,0,0,0|2,0,0]=3 531 B16R2.11632 COCCNCc1cccc2c1[nH]nc2 08fd42aa7a887100fa7424f8b85dd2f4 [0,0,1,0,0,0|3,0,0]=4 532 B16R2.11632 COCCNCc1cccc2c1cc[nH]2 d31253649ea80aec39ac8a44c4234e8b [0,0,1,0,0,0|3,0,0]=4 533 B16R2.11632 COCCNCc1cccc2c1ccs2 019522b04df18cbefe7ad3c6d85e95d9 [0,0,1,0,0,0|3,0,0]=4 534 B16R2.11632 COCCNCc1cccc2c1nco2 624cc580095eda27fa9cb72a4e9ab4d6 [0,0,1,0,0,0|3,0,0]=4 535 B16R2.11632 COCCNCc1cccc2c1ncs2 61d77eb2b94fda0b1ea286a5add400bf [0,0,1,0,0,0|3,0,0]=4 536 B16R2.11632 COCCNCc1cccc2c1occ2 4622209a564345707080c9faba9ef386 [0,0,1,0,0,0|1,1,0]=3 537 B16R2.11632 COCCNCc1cccc2c1ocn2 18d8b50c2eb0c09ef0b3f0470d32588f [0,0,1,0,0,0|2,1,0]=4 538 B16R2.11632 COCCNCc1cccc2c1scc2 9f265b7cf9e118e49b679bd574565598 [0,0,1,0,0,0|1,0,0]=2 539 B16R2.11632 COCCNCc1cccc2c1scn2 3f9fc79dd3365a9cf1f837a1fc722282 [0,0,1,0,0,0|2,0,0]=3 540 B16R2.11632 COCCNCc1cccc2n1ncc2 b58b5f934769b939f8f98a1e2aabe52d [0,0,1,0,0,0|3,0,0]=4 541 B16R2.11632 COCCNCc1cccn2c1ncc2 411672c01149db6c41985ad0ca91ef99 [0,0,1,0,0,0|3,0,0]=4 542 B16R2.11632 COCCOCc1cccc2c1[nH]cc2 c91ff431bd6142bafc4f0d55f8fe24de [0,0,1,0,0,0|3,0,0]=4 543 B16R2.11632 COCCOCc1cccc2c1occ2 36e46eaeafbac0afec1c9d2a47d2d44c [0,0,1,0,0,0|2,1,0]=4 544 B16R2.11632 COCCOCc1cccc2c1scc2 8efe26eb9fa4df7ec34df869a06d834d [0,0,1,0,0,0|2,0,0]=3 545 B16R2.11632 COCCOCc1cccc2c1scn2 a51f500e24517fb8b69403484f95b29b [0,0,1,0,0,0|3,0,0]=4 546 B16R2.11632 CSCCCNc1cccc2c1scc2 7767440f253d539729806246fac5ace8 [0,0,1,0,0,0|3,0,0]=4 547 B16R2.11632 CSCCCOc1cccc2c1scc2 d161cfefec4ff0990040440a8e1126eb [0,0,1,0,0,0|3,0,0]=4 548 B16R2.11632 CSCCNCc1cccc2c1[nH]cc2 d927bcc5aeea9c33ded4e3d43d607543 [0,0,1,0,0,0|2,0,0]=3 549 B16R2.11632 CSCCNCc1cccc2c1[nH]nc2 f1cb557445ee89d2cd215714e5715ee7 [0,0,1,0,0,0|3,0,0]=4 550 B16R2.11632 CSCCNCc1cccc2c1cc[nH]2 11dae00adda8ea31c6a5929b68f64f8f [0,0,1,0,0,0|3,0,0]=4 551 B16R2.11632 CSCCNCc1cccc2c1ccs2 c9c3b65cae02d6b7efdf3d1a8aa32eaf [0,0,1,0,0,0|3,0,0]=4 552 B16R2.11632 CSCCNCc1cccc2c1nco2 c6970bac47fdc4a455c003dc97f7b3b2 [0,0,1,0,0,0|3,0,0]=4 553 B16R2.11632 CSCCNCc1cccc2c1ncs2 b2bb51306ce22d5a96747dd78d612a37 [0,0,1,0,0,0|3,0,0]=4 554 B16R2.11632 CSCCNCc1cccc2c1occ2 9028e7409131646e14b69db50e34e3d7 [0,0,1,0,0,0|1,1,0]=3 555 B16R2.11632 CSCCNCc1cccc2c1ocn2 48e9f1a4528f888da85f7ccf82b57455 [0,0,1,0,0,0|2,1,0]=4 556 B16R2.11632 CSCCNCc1cccc2c1scc2 7d76b12e2a76aaf619a960b958461cf3 [0,0,1,0,0,0|1,0,0]=2 557 B16R2.11632 CSCCNCc1cccc2c1scn2 f5681f1defbe5b18c9c6917c1ddff96c [0,0,1,0,0,0|2,0,0]=3 558 B16R2.11632 CSCCNCc1cccc2n1ncc2 20a265eb14d61fcd26fefaf95366c80a [0,0,1,0,0,0|3,0,0]=4 559 B16R2.11632 CSCCNCc1cccn2c1ncc2 b42eca3ba7e3cbc7818172beb07a25bf [0,0,1,0,0,0|3,0,0]=4 560 B16R2.11632 CSCCOCc1cccc2c1[nH]cc2 49d2693fa54a3e4283cf54d354eee0ef [0,0,1,0,0,0|3,0,0]=4 561 B16R2.11632 CSCCOCc1cccc2c1occ2 4ce430781dca724706b17502e93aeab8 [0,0,1,0,0,0|2,1,0]=4 562 B16R2.11632 CSCCOCc1cccc2c1scc2 74e3a653ebbd339cf680de758d50a7ac [0,0,1,0,0,0|2,0,0]=3 563 B16R2.11632 CSCCOCc1cccc2c1scn2 918d9c922961fe6f2bd48f4b0933979e [0,0,1,0,0,0|3,0,0]=4 564 B16R2.11632 Cl/C=C/CNCc1cccc2c1scc2 4cb3189ae261d8e69188d219a37e32bc [0,0,1,0,0,0|1,0,2]=4 565 B16R2.11632 Cl/C=C\CNCc1cccc2c1scc2 a45be9f4c71580ee586fbaebb5253b58 [0,0,1,0,0,0|1,0,2]=4 566 B16R2.11632 ClCCCCNc1cccc2c1scc2 38b4182f736c43ae2ec9c230321f6409 [0,0,1,0,0,0|3,0,0]=4 567 B16R2.11632 ClCCCNCc1cccc2c1[nH]nc2 9a9463925cbb5d97dc418d6b3cd9c655 [0,0,1,0,0,0|3,0,0]=4 568 B16R2.11632 ClCCCNCc1cccc2c1ccs2 3ad4e38443c9996cfa041333fd920554 [0,0,1,0,0,0|3,0,0]=4 569 B16R2.11632 ClCCCNCc1cccc2c1nco2 79f994a7e9ed6a634f82a0c96b6dd5f6 [0,0,1,0,0,0|3,0,0]=4 570 B16R2.11632 ClCCCNCc1cccc2c1ncs2 f4ad80022688f4e57aecc96ebe180f2d [0,0,1,0,0,0|3,0,0]=4 571 B16R2.11632 ClCCCNCc1cccc2c1ocn2 f5032b862f44ceee524dc61fe6991f01 [0,0,1,0,0,0|2,1,0]=4 572 B16R2.11632 ClCCCNCc1cccc2c1scc2 ce97b526ba4281bdad04360443e2248c [0,0,1,0,0,0|1,0,0]=2 573 B16R2.11632 ClCCCNCc1cccc2c1scn2 2d0e9309f5e1cfb7f801b4d0c2a3631e [0,0,1,0,0,0|2,0,0]=3 574 B16R2.11632 ClCCCNCc1cccc2n1ncc2 4474522b4502a29791dfd5445828ef93 [0,0,1,0,0,0|3,0,0]=4 575 B16R2.11632 FCCCCOc1cccc2c1scc2 4672d2a340baf5f6384fe435d0ee22aa [0,0,1,0,0,0|3,0,0]=4 576 B16R2.11632 FCCCNCc1cccc2c1[nH]cc2 5b0a9011d9d7d78712b5428f86f18381 [0,0,1,0,0,0|2,0,0]=3 577 B16R2.11632 FCCCNCc1cccc2c1[nH]nc2 605750a2277b367cd8948e7d977a8790 [0,0,1,0,0,0|3,0,0]=4 578 B16R2.11632 FCCCNCc1cccc2c1cc[nH]2 bf74af602dd49f97f0d5e9169b23d9ca [0,0,1,0,0,0|3,0,0]=4 579 B16R2.11632 FCCCNCc1cccc2c1ccs2 609e05f87bc9977bfa92cda867432e0a [0,0,1,0,0,0|3,0,0]=4 580 B16R2.11632 FCCCNCc1cccc2c1occ2 7c77fc7048f27437a2f8beb46cedb108 [0,0,1,0,0,0|1,1,0]=3 581 B16R2.11632 FCCCNCc1cccc2c1scc2 d91dc49431f34be24cb4b48c0b2ac8ca [0,0,1,0,0,0|1,0,0]=2 582 B16R2.11632 FCCCNCc1cccc2c1scn2 1ac8ed896bff705af3f1c00a96e50362 [0,0,1,0,0,0|2,0,0]=3 583 B16R2.11632 FCCCNCc1cccc2n1ncc2 01fa98a3a4696bc17d2f438eb1c68efc [0,0,1,0,0,0|3,0,0]=4 584 B16R2.11632 FCCCNCc1cccn2c1ncc2 24c4a2bc7708959ac2fc12a35c190962 [0,0,1,0,0,0|3,0,0]=4 585 B16R2.11632 FCCCOCc1cccc2c1[nH]cc2 8af19e9037a12b0a68147032c5afc389 [0,0,1,0,0,0|3,0,0]=4 586 B16R2.11632 FCCCOCc1cccc2c1occ2 a874575e50563b76b67ef77324b60653 [0,0,1,0,0,0|2,1,0]=4 587 B16R2.11632 FCCCOCc1cccc2c1scc2 b99e2eb9903848ca182b5d70c0a9117a [0,0,1,0,0,0|2,0,0]=3 588 B16R2.11632 FCCCOCc1cccc2c1scn2 595b8e2f8e50a3f7bb8de09bd8e3c19c [0,0,1,0,0,0|3,0,0]=4 589 B16R2.11632 N#CCCNCc1cccc2c1[nH]cc2 f044d1d7b3e114b6b16c34b434e52b82 [0,0,1,0,0,0|2,0,1]=4 590 B16R2.11632 N#CCCNCc1cccc2c1occ2 a2c56502a41cc893c1d0762a3364cc3c [0,0,1,0,0,0|1,1,1]=4 591 B16R2.11632 N#CCCNCc1cccc2c1scc2 19fdfce06622caff9b6fbb3da313999d [0,0,1,0,0,0|1,0,1]=3 592 B16R2.11632 N#CCCNCc1cccc2c1scn2 cce32d5d9f704fc76d45197df762f821 [0,0,1,0,0,0|2,0,1]=4 593 B16R2.11632 N#CCCOCc1cccc2c1scc2 f78c15377e592e0d3b416910c4d6db1a [0,0,1,0,0,0|2,0,1]=4 594 B16R2.11632 NOCCNCc1cccc2c1scc2 3b3915f0cafbaf5301b622769a9ca6d5 [0,0,1,0,0,0|2,0,0]=3 595 B16R2.11632 NOCCNCc1cccc2c1scn2 b7b758249a6b6afa804d611fafec503c [0,0,1,0,0,0|3,0,0]=4 596 B16R2.11632 O/C=C\CNCc1cccc2c1scc2 fe97a1ab4f77279419ed4d83f4d1171e [0,0,1,0,0,0|1,0,2]=4 597 B16R2.11632 O=CCCNCc1cccc2c1[nH]cc2 8c5ac86a69aedc34c11398280e3aeaf0 [0,0,1,0,0,0|2,0,1]=4 598 B16R2.11632 O=CCCNCc1cccc2c1occ2 130ba80ceb6a6fd0b9b683537bcb7647 [0,0,1,0,0,0|1,1,1]=4 599 B16R2.11632 O=CCCNCc1cccc2c1scc2 b3ef4c4a756f9a86bce9a9de03b14656 [0,0,1,0,0,0|1,0,1]=3 600 B16R2.11632 O=CCCNCc1cccc2c1scn2 0c923a00811a661a6796f08099ce1771 [0,0,1,0,0,0|2,0,1]=4 601 B16R2.11632 O=CCCOCc1cccc2c1scc2 eccf4f0c5f7c44cdfccab057ee0f1dd1 [0,0,1,0,0,0|2,0,1]=4 602 B16R2.11632 OCCCCNc1cccc2c1scc2 6f2f53d3dc7d8ca08576cb0582075ba4 [0,0,1,0,0,0|3,0,0]=4 603 B16R2.11632 OCCCNCc1cccc2c1[nH]cc2 43456a045c2b689d0d44b144924760d4 [0,0,1,0,0,0|2,0,0]=3 604 B16R2.11632 OCCCNCc1cccc2c1[nH]nc2 81d3dd462a7b24b448196777c511f7ed [0,0,1,0,0,0|3,0,0]=4 605 B16R2.11632 OCCCNCc1cccc2c1cc[nH]2 515f2d575e14eab9b306efbfb64543a9 [0,0,1,0,0,0|3,0,0]=4 606 B16R2.11632 OCCCNCc1cccc2c1ccs2 452919b2955c3823b7e86f52b7335487 [0,0,1,0,0,0|3,0,0]=4 607 B16R2.11632 OCCCNCc1cccc2c1nco2 686266868cc8719a7df5ba5839324e76 [0,0,1,0,0,0|3,0,0]=4 608 B16R2.11632 OCCCNCc1cccc2c1ncs2 b86395ec216f999e21ce262d5be9eda6 [0,0,1,0,0,0|3,0,0]=4 609 B16R2.11632 OCCCNCc1cccc2c1occ2 81bde13fbd8139fa52d3f25fa0cc54c7 [0,0,1,0,0,0|1,1,0]=3 610 B16R2.11632 OCCCNCc1cccc2c1ocn2 1fc3f92210b6d4690314fd3a6b7b1f15 [0,0,1,0,0,0|2,1,0]=4 611 B16R2.11632 OCCCNCc1cccc2c1scc2 e9f623212483002c6b3ca6d458c7a922 [0,0,1,0,0,0|1,0,0]=2 612 B16R2.11632 OCCCNCc1cccc2c1scn2 a7106b35abc2254741af5254cc1ba4c4 [0,0,1,0,0,0|2,0,0]=3 613 B16R2.11632 OCCCNCc1cccc2n1ncc2 da390dc2a44a3f23d2a1ee055cb9b8b2 [0,0,1,0,0,0|3,0,0]=4 614 B16R2.11632 OCCCNCc1cccn2c1ncc2 e81003a78561a9bd958fa090aa7ab105 [0,0,1,0,0,0|3,0,0]=4 615 B16R2.11632 SCCCCNc1cccc2c1scc2 8f91a257ec0a192a46b7f7772efe658a [0,0,1,0,0,0|3,0,0]=4 616 B16R2.11632 SCCCNCc1cccc2c1[nH]cc2 6ca908ee1034160f5ac6dc16d9d83bea [0,0,1,0,0,0|2,0,0]=3 617 B16R2.11632 SCCCNCc1cccc2c1[nH]nc2 52535250211b86250cd38659a33cd441 [0,0,1,0,0,0|3,0,0]=4 618 B16R2.11632 SCCCNCc1cccc2c1cc[nH]2 e834b04f9b6804d54f3813875ab9a2bd [0,0,1,0,0,0|3,0,0]=4 619 B16R2.11632 SCCCNCc1cccc2c1ccs2 0f669a4f29fa11b69351dc7b639e3b9a [0,0,1,0,0,0|3,0,0]=4 620 B16R2.11632 SCCCNCc1cccc2c1occ2 7552dfe7d6225923996ce5c8be2f8f5d [0,0,1,0,0,0|1,1,0]=3 621 B16R2.11632 SCCCNCc1cccc2c1scc2 bde5d59ff9fd4b97d7c69278c7cef9b4 [0,0,1,0,0,0|1,0,0]=2 622 B16R2.11632 SCCCNCc1cccc2c1scn2 92060b279c9fef6a59c7d899456aedf6 [0,0,1,0,0,0|2,0,0]=3 623 B16R2.11632 SCCCNCc1cccc2n1ncc2 3f42a68e12f4e6fe257a0b67be388c46 [0,0,1,0,0,0|3,0,0]=4 624 B16R2.11632 SCCCNCc1cccn2c1ncc2 b09c92266999c2fe8d0a14598999eb9e [0,0,1,0,0,0|3,0,0]=4 625 B16R2.11632 SCCCOCc1cccc2c1[nH]cc2 95d9e6dcab417befcf0c86b80ce461b6 [0,0,1,0,0,0|3,0,0]=4 626 B16R2.11632 SCCCOCc1cccc2c1occ2 01aea155bf1c4e3f2ca71bfc0b812c30 [0,0,1,0,0,0|2,1,0]=4 627 B16R2.11632 SCCCOCc1cccc2c1scc2 c680ced35d8442fc642ac7bc5f7fdc03 [0,0,1,0,0,0|2,0,0]=3 628 B16R2.11632 SCCCOCc1cccc2c1scn2 7f52700a5a915dc30b4a923dabbedf0c [0,0,1,0,0,0|3,0,0]=4 629 B16R2.27401 C=C(Br)CNCc1cccc2c1scc2 a337bb1aaf44b5496cdf87febcd9a217 [0,0,1,0,0,0|1,0,2]=4 630 B16R2.27401 C=C(C)CNCc1cccc2c1[nH]cc2 6e921cf61dfc79dea07cbb18de56d8f4 [0,0,1,0,0,0|1,0,2]=4 631 B16R2.27401 C=C(C)CNCc1cccc2c1occ2 2152b4bafed3867eea2b1739f5a8a9c9 [0,0,1,0,0,0|0,1,2]=4 632 B16R2.27401 C=C(C)CNCc1cccc2c1scc2 1bda74dfa8fbbdefe449777e13b9f619 [0,0,1,0,0,0|0,0,2]=3 633 B16R2.27401 C=C(C)CNCc1cccc2c1scn2 722e1da0dc1f0a128906b1fb8476f29b [0,0,1,0,0,0|1,0,2]=4 634 B16R2.27401 C=C(C)COCc1cccc2c1scc2 cdc67ff7f1aaa591cc5c774a87563aab [0,0,1,0,0,0|1,0,2]=4 635 B16R2.27401 C=C(Cl)CNCc1cccc2c1scc2 df25226f6425646ad03f6cf697bc64aa [0,0,1,0,0,0|1,0,2]=4 636 B16R2.27401 C=C(F)CNCc1cccc2c1scc2 eb384f18e5bec512530c9a7319c48511 [0,0,1,0,0,0|1,0,2]=4 637 B16R2.27401 CC(=O)CNCc1cccc2c1scc2 ff6cea8f4237bcbc51eb91c3bfba35eb [0,0,1,0,0,0|1,0,1]=3 638 B16R2.27401 CC(=O)CNCc1cccc2c1scn2 41f2200ac22c836d16f37ed44eace7be [0,0,1,0,0,0|2,0,1]=4 639 B16R2.27401 CC(=O)COCc1cccc2c1scc2 bbb7393a57014b3ee5e5854c86e7f7cc [0,0,1,0,0,0|2,0,1]=4 640 B16R2.27401 CC(C)CCNc1cccc2c1[nH]cc2 4421eb7ccfbf24cb08a96a01e244269c [0,0,1,0,0,0|3,0,0]=4 641 B16R2.27401 CC(C)CCNc1cccc2c1occ2 c992cbbabb436756790e8b73bee9c9ed [0,0,1,0,0,0|2,1,0]=4 642 B16R2.27401 CC(C)CCNc1cccc2c1scc2 9eefe4a5457eae4aa78b3718b92d6bdc [0,0,1,0,0,0|2,0,0]=3 643 B16R2.27401 CC(C)CCNc1cccc2c1scn2 b4d3d0b2c3dfe0a547d9cf4153be3cd4 [0,0,1,0,0,0|3,0,0]=4 644 B16R2.27401 CC(C)CCNc1cccc2c1snc2 b53c7c7357603c37a05b9ca31e9ba3cc [0,0,1,0,0,0|3,0,0]=4 645 B16R2.27401 CC(C)CCNc1ccnc2c1scc2 0c6d54be58fdb96a03a436376f262273 [0,0,1,0,0,0|3,0,0]=4 646 B16R2.27401 CC(C)CCNc1nccc2c1scc2 b7eb5a039f91ab3e3d763a49990ddb5a [0,0,1,0,0,0|3,0,0]=4 647 B16R2.27401 CC(C)CCOc1cccc2c1[nH]cc2 c0c68cbcd46b9d709a6a59e5382f159b [0,0,1,0,0,0|3,0,0]=4 648 B16R2.27401 CC(C)CCOc1cccc2c1occ2 4390c074be4ecc815b02ff1fc7ab0f0d [0,0,1,0,0,0|2,1,0]=4 649 B16R2.27401 CC(C)CCOc1cccc2c1scc2 c80a613655728d41c2e7121df5d044ed [0,0,1,0,0,0|2,0,0]=3 650 B16R2.27401 CC(C)CCOc1cccc2c1scn2 c38b649ab609ad6c62d43ca858a79aaf [0,0,1,0,0,0|3,0,0]=4 651 B16R2.27401 CC(C)CCOc1ccnc2c1scc2 c6734b1c781f9d822504aa4b4904a035 [0,0,1,0,0,0|3,0,0]=4 652 B16R2.27401 CC(C)CNCc1cccc2c1CCO2 3a3afd15992db82ece2980993eec1e76 [0,0,1,0,0,0|2,0,1]=4 653 B16R2.27401 CC(C)CNCc1cccc2c1[nH]cc2 515e604905d372cf9e554974bb7a6a20 [0,0,1,0,0,0|1,0,0]=2 654 B16R2.27401 CC(C)CNCc1cccc2c1[nH]nc2 605de90cc91969ac1e45b4489f2475be [0,0,1,0,0,0|2,0,0]=3 655 B16R2.27401 CC(C)CNCc1cccc2c1cc[nH]2 22eb8c392f72bfb3ded29895fe0125fb [0,0,1,0,0,0|2,0,0]=3 656 B16R2.27401 CC(C)CNCc1cccc2c1ccs2 5834a3853fd2a166f8110ba6a79f7be1 [0,0,1,0,0,0|2,0,0]=3 657 B16R2.27401 CC(C)CNCc1cccc2c1cn[nH]2 49810e0e39f4f6f67ea1d84c7bf957b4 [0,0,1,0,0,0|3,0,0]=4 658 B16R2.27401 CC(C)CNCc1cccc2c1nco2 2e9a11d5f15455f4029837ed0bbe5788 [0,0,1,0,0,0|2,0,0]=3 659 B16R2.27401 CC(C)CNCc1cccc2c1ncs2 ca785fd529991079c53cf0be8235fbc6 [0,0,1,0,0,0|2,0,0]=3 660 B16R2.27401 CC(C)CNCc1cccc2c1non2 2579bb0f0cab43510d9e4ba18ad0661a [0,0,1,0,0,0|3,0,0]=4 661 B16R2.27401 CC(C)CNCc1cccc2c1nsn2 1400b16547a4fc2dec8ecab6eb52dc60 [0,0,1,0,0,0|3,0,0]=4 662 B16R2.27401 CC(C)CNCc1cccc2c1occ2 3d651f0870f5ecb585155ddb48fc9f31 [0,0,1,0,0,0|0,1,0]=2 663 B16R2.27401 CC(C)CNCc1cccc2c1ocn2 05e9dbe112858f2d0a219ba513c2e9dc [0,0,1,0,0,0|1,1,0]=3 664 B16R2.27401 CC(C)CNCc1cccc2c1scc2 b50a86422a694b523afec13a83a82b71 [0,0,1,0,0,0|0,0,0]=1 665 B16R2.27401 CC(C)CNCc1cccc2c1scn2 9c5f88d8c0f5d0b326a5f683f31a6e74 [0,0,1,0,0,0|1,0,0]=2 666 B16R2.27401 CC(C)CNCc1cccc2n1ncc2 3f2dc0bda0dd10c884ad33aa3d80f960 [0,0,1,0,0,0|2,0,0]=3 667 B16R2.27401 CC(C)CNCc1cccc2n1ncn2 4b9e705458e291f2a9ffc9661effe1d6 [0,0,1,0,0,0|3,0,0]=4 668 B16R2.27401 CC(C)CNCc1cccn2c1ccn2 07712b3215e8c01dbf24d8ec4156e965 [0,0,1,0,0,0|3,0,0]=4 669 B16R2.27401 CC(C)CNCc1cccn2c1ncc2 696c9310e35052d9b6363f400d2393e1 [0,0,1,0,0,0|2,0,0]=3 670 B16R2.27401 CC(C)CNCc1ccnc2c1cc[nH]2 a4246d3f1eef48cbcb1c2a557cf276bd [0,0,1,0,0,0|3,0,0]=4 671 B16R2.27401 CC(C)CNCc1ccnc2c1nc[nH]2 2e6b0fb4502f4bfc7407bd910338fe3e [0,0,1,0,0,0|3,0,0]=4 672 B16R2.27401 CC(C)CNCc1cncc2c1nc[nH]2 9996a8c517fef06c03091c6435ce565b [0,0,1,0,0,0|3,0,0]=4 673 B16R2.27401 CC(C)CNCc1nccc2c1cc[nH]2 9b3345afd12de9c3e304838f1c3aac1b [0,0,1,0,0,0|3,0,0]=4 674 B16R2.27401 CC(C)CNCc1nccc2c1nc[nH]2 38b9c2996a77e951ebb7d91ff9177105 [0,0,1,0,0,0|3,0,0]=4 675 B16R2.27401 CC(C)COCc1cccc2c1[nH]cc2 1abfbf3cde9e0ba4b55dd9e7b3032f9f [0,0,1,0,0,0|2,0,0]=3 676 B16R2.27401 CC(C)COCc1cccc2c1[nH]nc2 e7802b426a21cca5963243a24a52d239 [0,0,1,0,0,0|3,0,0]=4 677 B16R2.27401 CC(C)COCc1cccc2c1cc[nH]2 c1da74f8c891c7b22d0c9bd1b5354033 [0,0,1,0,0,0|3,0,0]=4 678 B16R2.27401 CC(C)COCc1cccc2c1ccs2 2c0e8ec967a8e5cb2399f1fd4ce446e2 [0,0,1,0,0,0|3,0,0]=4 679 B16R2.27401 CC(C)COCc1cccc2c1nc[nH]2 65f241eabe1d2c5d77d6fcec0a2d1d2f [0,0,1,0,0,0|3,0,0]=4 680 B16R2.27401 CC(C)COCc1cccc2c1nco2 0e1802bad8d9b40bbaa59cccf881d8e0 [0,0,1,0,0,0|3,0,0]=4 681 B16R2.27401 CC(C)COCc1cccc2c1ncs2 aebf60c12e647684a087f510bb3945fa [0,0,1,0,0,0|3,0,0]=4 682 B16R2.27401 CC(C)COCc1cccc2c1occ2 fc4115214a5b02d90950346b1c9506ed [0,0,1,0,0,0|1,1,0]=3 683 B16R2.27401 CC(C)COCc1cccc2c1ocn2 b934ff7bdb2d2b5e02695edff62a7fa6 [0,0,1,0,0,0|2,1,0]=4 684 B16R2.27401 CC(C)COCc1cccc2c1scc2 7216e6df73df232a3527112d2aba255f [0,0,1,0,0,0|1,0,0]=2 685 B16R2.27401 CC(C)COCc1cccc2c1scn2 4a93109f8d81272e4e4e4b24e8158e23 [0,0,1,0,0,0|2,0,0]=3 686 B16R2.27401 CC(C)COCc1cccc2n1ncc2 2dcb4ddbb1d0951d184233de48ed4d3f [0,0,1,0,0,0|3,0,0]=4 687 B16R2.27401 CC(C)COCc1cccn2c1ncc2 dc006240dc6898f3c3e9ba10b65e50bc [0,0,1,0,0,0|3,0,0]=4 688 B16R2.27401 CC(C)COCc1cncc2c1[nH]cc2 0e69abf6903bbf726af606a71d3ac998 [0,0,1,0,0,0|3,0,0]=4 689 B16R2.27401 CC(C)COCc1nccc2c1[nH]cc2 7a90438d6cc29a410027659ffbf1d0e3 [0,0,1,0,0,0|3,0,0]=4 690 B16R2.27401 CC(C)OCOc1cccc2c1scc2 ec414cad60ebee734034c92247ab3845 [0,0,1,0,0,0|3,0,0]=4 691 B16R2.27401 CC(F)COCc1cccc2c1scc2 d84a59701ab60e4325bf135cd5abcf73 [0,0,1,0,0,0|2,0,0]=3 692 B16R2.27401 CC(F)COCc1cccc2c1scn2 7740dcc660ad9cca4d13a8dfebe01292 [0,0,1,0,0,0|3,0,0]=4 693 B16R2.27401 CC(O)CCNc1cccc2c1scc2 07b1ddd00e826bbc31fb3afc8b7e39dc [0,0,1,0,0,0|3,0,0]=4 694 B16R2.27401 CC(O)CNCc1cccc2c1[nH]cc2 b7187664852df3d27f11bbb1bd12262c [0,0,1,0,0,0|2,0,0]=3 695 B16R2.27401 CC(O)CNCc1cccc2c1[nH]nc2 9907b97fa049fe8d52bba3113fea1a67 [0,0,1,0,0,0|3,0,0]=4 696 B16R2.27401 CC(O)CNCc1cccc2c1cc[nH]2 3e220eaa8d9bd711e55aea04a326e9f0 [0,0,1,0,0,0|3,0,0]=4 697 B16R2.27401 CC(O)CNCc1cccc2c1ccs2 c889387f2de4639314252518ad29479d [0,0,1,0,0,0|3,0,0]=4 698 B16R2.27401 CC(O)CNCc1cccc2c1nco2 9a2bae5da2b1af465aec93a6a5d5b7eb [0,0,1,0,0,0|3,0,0]=4 699 B16R2.27401 CC(O)CNCc1cccc2c1ncs2 6cb4af6b07eb9c1ddef657adba7b8a6f [0,0,1,0,0,0|3,0,0]=4 700 B16R2.27401 CC(O)CNCc1cccc2c1occ2 b2d84e69bf7d83a56f41ff11dccbcdaa [0,0,1,0,0,0|1,1,0]=3 701 B16R2.27401 CC(O)CNCc1cccc2c1ocn2 4eb7a3def706196f044292935c0e2b8f [0,0,1,0,0,0|2,1,0]=4 702 B16R2.27401 CC(O)CNCc1cccc2c1scc2 afc32d333899af3a0dc124130cf9b6bc [0,0,1,0,0,0|1,0,0]=2 703 B16R2.27401 CC(O)CNCc1cccc2c1scn2 5db3c9e9ad8fe2b40404d553e70fa2cc [0,0,1,0,0,0|2,0,0]=3 704 B16R2.27401 CC(O)CNCc1cccc2n1ncc2 40bd0fe3872fa3d2dd73b6db1785f27d [0,0,1,0,0,0|3,0,0]=4 705 B16R2.27401 CC(O)CNCc1cccn2c1ncc2 c3c0438d3c63c7f9d641e100494a336a [0,0,1,0,0,0|3,0,0]=4 706 B16R2.27401 CC(S)COCc1cccc2c1scc2 e4cd19ba18a793f3775efe9d22ed0091 [0,0,1,0,0,0|2,0,0]=3 707 B16R2.27401 CC(S)COCc1cccc2c1scn2 af324f95d7c2ef8a2745f4bf5e08ee2d [0,0,1,0,0,0|3,0,0]=4 708 B16R2.27401 CN(C)CCOc1cccc2c1scc2 1cc00328a92a9a0fa121228c8307b478 [0,0,1,0,0,0|3,0,0]=4 709 B16R2.27401 CN(C)CNCc1cccc2c1[nH]cc2 6241d1c1e27b702041fd37fc4cbac25c [0,0,1,0,0,0|2,0,0]=3 710 B16R2.27401 CN(C)CNCc1cccc2c1[nH]nc2 8f7cd1d11b859a19eca40cf6879158d4 [0,0,1,0,0,0|3,0,0]=4 711 B16R2.27401 CN(C)CNCc1cccc2c1cc[nH]2 93af92b610a4e88408a5cbb7621a7067 [0,0,1,0,0,0|3,0,0]=4 712 B16R2.27401 CN(C)CNCc1cccc2c1ccs2 08b2d5897d160efdd8e24a4c13fc579d [0,0,1,0,0,0|3,0,0]=4 713 B16R2.27401 CN(C)CNCc1cccc2c1occ2 067fee72ed7901b836b8467db5f3772b [0,0,1,0,0,0|1,1,0]=3 714 B16R2.27401 CN(C)CNCc1cccc2c1scc2 4464deb4a41f052c1f7e719a7077e6bd [0,0,1,0,0,0|1,0,0]=2 715 B16R2.27401 CN(C)CNCc1cccc2c1scn2 8ff29670d3f8ee6819afa3711fa02f9a [0,0,1,0,0,0|2,0,0]=3 716 B16R2.27401 CN(C)CNCc1cccc2n1ncc2 7a415b42b202f7a8af63ad079d808773 [0,0,1,0,0,0|3,0,0]=4 717 B16R2.27401 CN(C)CNCc1cccn2c1ncc2 434aa473e9d57fdf5cf4959037e07792 [0,0,1,0,0,0|3,0,0]=4 718 B16R2.27401 CN(C)COCc1cccc2c1[nH]cc2 80a1566fc491c6cff1c1459246cf332d [0,0,1,0,0,0|3,0,0]=4 719 B16R2.27401 CN(C)COCc1cccc2c1occ2 355ff4e91520436ead6218ab1b930586 [0,0,1,0,0,0|2,1,0]=4 720 B16R2.27401 CN(C)COCc1cccc2c1scc2 1982870ec4e48e74674b441ed9f34169 [0,0,1,0,0,0|2,0,0]=3 721 B16R2.27401 CN(C)COCc1cccc2c1scn2 2e9c40d656272b36a9f4ae3f7b9f62f4 [0,0,1,0,0,0|3,0,0]=4 722 B16R2.27401 C[C@@H](F)COCc1cccc2c1scc2 ba374b3ed8d13b3220fedee69848f6dd [0,0,1,0,0,0|2,0,0]=3 723 B16R2.27401 C[C@@H](F)COCc1cccc2c1scn2 8817a7e07fd0144f687481ddcdd752bf [0,0,1,0,0,0|3,0,0]=4 724 B16R2.27401 C[C@@H](O)CCNc1cccc2c1scc2 17c3fc11c5e59ab1a55e3dfd481a302d [0,0,1,0,0,0|3,0,0]=4 725 B16R2.27401 C[C@@H](O)CNCc1cccc2c1[nH]cc2 c56adb78080194bea94a61210cbd3693 [0,0,1,0,0,0|2,0,0]=3 726 B16R2.27401 C[C@@H](O)CNCc1cccc2c1[nH]nc2 f9128f5bd83571cde6b9e00d26180594 [0,0,1,0,0,0|3,0,0]=4 727 B16R2.27401 C[C@@H](O)CNCc1cccc2c1cc[nH]2 99a7f1d25b57bd1c90623c9f17ce3a8e [0,0,1,0,0,0|3,0,0]=4 728 B16R2.27401 C[C@@H](O)CNCc1cccc2c1ccs2 eae14625c12b2ff271d2020a7dd1edd9 [0,0,1,0,0,0|3,0,0]=4 729 B16R2.27401 C[C@@H](O)CNCc1cccc2c1nco2 e230e6b42fac7b36da7428bc719dd8eb [0,0,1,0,0,0|3,0,0]=4 730 B16R2.27401 C[C@@H](O)CNCc1cccc2c1ncs2 d57f234410063c79325e006fa63fcbc6 [0,0,1,0,0,0|3,0,0]=4 731 B16R2.27401 C[C@@H](O)CNCc1cccc2c1occ2 64d0046995803c31eb9a5eb4158c47b1 [0,0,1,0,0,0|1,1,0]=3 732 B16R2.27401 C[C@@H](O)CNCc1cccc2c1ocn2 864da681f8f4cadb311fb4cc076c3711 [0,0,1,0,0,0|2,1,0]=4 733 B16R2.27401 C[C@@H](O)CNCc1cccc2c1scc2 a2ac91bfe4e1ba37a0f3b25ea8e85b64 [0,0,1,0,0,0|1,0,0]=2 734 B16R2.27401 C[C@@H](O)CNCc1cccc2c1scn2 6eb49958d7f1487b808c3ad70b90105d [0,0,1,0,0,0|2,0,0]=3 735 B16R2.27401 C[C@@H](O)CNCc1cccc2n1ncc2 908ab33ccfd6c5042724eef9d9476419 [0,0,1,0,0,0|3,0,0]=4 736 B16R2.27401 C[C@@H](O)CNCc1cccn2c1ncc2 843232f6b2e00a7ebdb6bab308d5dc0d [0,0,1,0,0,0|3,0,0]=4 737 B16R2.27401 C[C@H](F)COCc1cccc2c1scc2 b0c4c344d57c0a7b94c5f9bf98e37c7a [0,0,1,0,0,0|2,0,0]=3 738 B16R2.27401 C[C@H](F)COCc1cccc2c1scn2 74d1125536f83e8cbbe4c77224de8c00 [0,0,1,0,0,0|3,0,0]=4 739 B16R2.27401 C[C@H](O)CCNc1cccc2c1scc2 270a6fecc8dfdf8c7bfbea32ce56faca [0,0,1,0,0,0|3,0,0]=4 740 B16R2.27401 C[C@H](O)CNCc1cccc2c1[nH]cc2 9a2248e8d41b0ec789f2419d4c67d592 [0,0,1,0,0,0|2,0,0]=3 741 B16R2.27401 C[C@H](O)CNCc1cccc2c1[nH]nc2 c7f0e7e4b4de42547adb04df5ef9b9df [0,0,1,0,0,0|3,0,0]=4 742 B16R2.27401 C[C@H](O)CNCc1cccc2c1cc[nH]2 9d84dc1fffb5c2ce71a0db709d24e4c7 [0,0,1,0,0,0|3,0,0]=4 743 B16R2.27401 C[C@H](O)CNCc1cccc2c1ccs2 50eaeae47f16f26e8069cb02bb7c5b46 [0,0,1,0,0,0|3,0,0]=4 744 B16R2.27401 C[C@H](O)CNCc1cccc2c1nco2 ca018c6394ab509a2af238fd482887cc [0,0,1,0,0,0|3,0,0]=4 745 B16R2.27401 C[C@H](O)CNCc1cccc2c1ncs2 5ae0dc9a01802f60e319b47e59681038 [0,0,1,0,0,0|3,0,0]=4 746 B16R2.27401 C[C@H](O)CNCc1cccc2c1occ2 0de9e49ff40d2389110b827624d2693c [0,0,1,0,0,0|1,1,0]=3 747 B16R2.27401 C[C@H](O)CNCc1cccc2c1ocn2 52f335c52c14d0ed8c87ea635473b505 [0,0,1,0,0,0|2,1,0]=4 748 B16R2.27401 C[C@H](O)CNCc1cccc2c1scc2 52e5ac41d2ed890770304aada261b032 [0,0,1,0,0,0|1,0,0]=2 749 B16R2.27401 C[C@H](O)CNCc1cccc2c1scn2 811762f33c005b50812a659cff3d1dd0 [0,0,1,0,0,0|2,0,0]=3 750 B16R2.27401 C[C@H](O)CNCc1cccc2n1ncc2 d8789ca9204ebfd1b4958a7f318a413a [0,0,1,0,0,0|3,0,0]=4 751 B16R2.27401 C[C@H](O)CNCc1cccn2c1ncc2 354c72bb6c275b112c1d21a711a2cd1e [0,0,1,0,0,0|3,0,0]=4 752 B16R2.27401 FC(F)CNCc1cccc2c1[nH]cc2 219878d298041c481057c4658e8dd661 [0,0,1,0,0,0|3,0,0]=4 753 B16R2.27401 FC(F)CNCc1cccc2c1occ2 41084ee4bf1648ba1af57d9fb96b832b [0,0,1,0,0,0|2,1,0]=4 754 B16R2.27401 FC(F)CNCc1cccc2c1scc2 83d28afa5bc3247135a3e4c775ffa0bb [0,0,1,0,0,0|2,0,0]=3 755 B16R2.27401 FC(F)CNCc1cccc2c1scn2 8dedd7dda1a8dcefbaba02a77591d03f [0,0,1,0,0,0|3,0,0]=4 756 B16R2.27401 FC(F)COCc1cccc2c1scc2 f5d89976130d5a008aeb07278efe9571 [0,0,1,0,0,0|3,0,0]=4 757 B16R2.27401 NC(=O)CNCc1cccc2c1scc2 e383154a291c67aab8d6471ec981be70 [0,0,1,0,0,0|2,0,1]=4 758 B16R2.27401 O=C(O)CNCc1cccc2c1scc2 32a76ed45a558049dc0093b1419f1d9b [0,0,1,0,0,0|2,0,1]=4 759 B16R2.27401 O=[N+]([O-])CNCc1cccc2c1scc2 edacf57589af7404b4770fd66d9fb4eb [0,0,1,0,0,0|3,0,0]=4 760 B16R2.28197 C/C=C/c1cccc(c1)NCCC2CC2 aab6dc4ecb034bc978bf586e5ec38dcf [0,0,1,0,0,0|3,0,0]=4 761 B16R2.28197 CCOc1cccc(c1)CNCC2CC2 c77130f0cde98228e75f77a4718ff065 [0,0,1,0,0,0|2,0,1]=4 762 B16R2.28197 COCc1cccc(c1)CNCC2CC2 ce6783420903269a6cdf22b3b0f7460d [0,0,1,0,0,0|2,0,1]=4 763 B16R2.28197 O=CNc1cccc(c1)COCC2CC2 c27caaf86b31b026347cb73b1631497f [0,0,1,0,0,0|2,1,0]=4 764 B16R2.28197 OCCc1cccc(c1)CNCC2CC2 9dd297d568033247d730c1115225d010 [0,0,1,0,0,0|0,1,2]=4 765 B16R2.28389 C=CCc1ccccc1NCCC2CC2 0be4eb17ffc943b98fb2958fea58fee2 [0,0,1,0,0,0|3,0,0]=4 766 B16R2.28389 C=CCc1ccccc1OCCC2CC2 50e7343df6e7374da7072d39f8c1140e [0,0,1,0,0,0|3,0,0]=4 767 B16R2.28389 CCOc1ccccc1CNCC2CC2 b857ed572149bee140113c527eacab05 [0,0,1,0,0,0|0,1,2]=4 768 B16R2.28389 CCSc1ccccc1COCC2CC2 2ef95da97fc3c473fdc792a027772756 [0,0,1,0,0,0|1,0,2]=4 769 B16R2.28389 N#CCc1ccccc1CNCC2CC2 b1fdf70eed83fab873a7dd447bb086e2 [0,0,1,0,0,0|2,0,1]=4 770 B16R3.6443 c1cc(c2[nH]ccc2c1)COC3CC3 2cc69302dd7b6013c936c7572f49735e [0,0,0,0,1,0|2,0,0]=3 771 B16R3.6443 c1cc(c2[nH]ccc2c1)NCC3CC3 2e231112cda2b81c593e4d5559f33e6b [0,0,0,0,1,0|1,0,0]=2 772 B16R3.6443 c1cc(c2[nH]ccc2c1)OCC3CC3 2357386329796519ca5b00b010332c78 [0,0,0,0,1,0|2,0,0]=3 773 B16R3.6443 c1cc(c2[nH]ccc2n1)NCC3CC3 3a2f8ca7e79d235f9b577cd9bb1945b2 [0,0,0,0,1,0|2,0,0]=3 774 B16R3.6443 c1cc(c2[nH]ncc2c1)CNC3CC3 e0d25d1ed64432a8ac5f9ae6ba90f671 [0,0,0,0,1,0|2,0,0]=3 775 B16R3.6443 c1cc(c2[nH]ncc2c1)COC3CC3 8fdb13011935635de45f57860e2c00fd [0,0,0,0,1,0|3,0,0]=4 776 B16R3.6443 c1cc(c2[nH]ncc2c1)NCC3CC3 1ff6c68325f2fcd4a112d4977b9c82f6 [0,0,0,0,1,0|2,0,0]=3 777 B16R3.6443 c1cc(c2[nH]ncc2c1)OCC3CC3 d79a8a01a7ae0eaeea47740237ca5d82 [0,0,0,0,1,0|3,0,0]=4 778 B16R3.6443 c1cc(c2c(c1)OCC2)CNC3CC3 19ece1c9ea642875ada36a63affca85d [0,0,0,0,1,0|2,0,1]=4 779 B16R3.6443 c1cc(c2c(c1)OCC2)NCC3CC3 a1cef9d5d6dcee0b2c9e1b9ab9ea79c7 [0,0,0,0,1,0|2,0,1]=4 780 B16R3.6443 c1cc(c2cc[nH]c2c1)CNC3CC3 c9b4585bb7d8a7b41fabdd6b816a8375 [0,0,0,0,1,0|2,0,0]=3 781 B16R3.6443 c1cc(c2cc[nH]c2c1)COC3CC3 46c5796397e8af2763225077f36db80f [0,0,0,0,1,0|3,0,0]=4 782 B16R3.6443 c1cc(c2cc[nH]c2c1)NCC3CC3 ff87ad6ff0a2fe60356b704240fa4d8a [0,0,0,0,1,0|2,0,0]=3 783 B16R3.6443 c1cc(c2cc[nH]c2c1)OCC3CC3 5156532d8e932c72c6fd8dd5ddfbb23d [0,0,0,0,1,0|3,0,0]=4 784 B16R3.6443 c1cc(c2cc[nH]c2n1)CNC3CC3 5e2fea7cd6d74b48599b91173cbb0b39 [0,0,0,0,1,0|3,0,0]=4 785 B16R3.6443 c1cc(c2cc[nH]c2n1)NCC3CC3 31d64cf228feb5ef863313500dbc934b [0,0,0,0,1,0|3,0,0]=4 786 B16R3.6443 c1cc(c2ccnn2c1)CNC3CC3 f39ff5f5d0e7dff135dcba484fd9c0e0 [0,0,0,0,1,0|3,0,0]=4 787 B16R3.6443 c1cc(c2ccnn2c1)NCC3CC3 0c0209fc3a7d721a3befbbef65824036 [0,0,0,0,1,0|3,0,0]=4 788 B16R3.6443 c1cc(c2ccoc2c1)NCC3CC3 12e79c546055eb38bdfa0e39e16d94df [0,0,0,0,1,0|2,0,0]=3 789 B16R3.6443 c1cc(c2ccoc2c1)OCC3CC3 61974ef36fc66d50e2bccb0617af8dee [0,0,0,0,1,0|3,0,0]=4 790 B16R3.6443 c1cc(c2ccsc2c1)CNC3CC3 2a8e4cd2faa761f5997133377fffe421 [0,0,0,0,1,0|2,0,0]=3 791 B16R3.6443 c1cc(c2ccsc2c1)COC3CC3 34e15f094ffa4ad47eea45df671791b9 [0,0,0,0,1,0|3,0,0]=4 792 B16R3.6443 c1cc(c2ccsc2c1)NCC3CC3 d924af8be327139a573473fdb23832e2 [0,0,0,0,1,0|2,0,0]=3 793 B16R3.6443 c1cc(c2ccsc2c1)OCC3CC3 a6bd53b0dab8b4eabb3f1a2f740071b5 [0,0,0,0,1,0|3,0,0]=4 794 B16R3.6443 c1cc(c2cn[nH]c2c1)CNC3CC3 3d93ee35f739ba87c00f36fd0036695f [0,0,0,0,1,0|3,0,0]=4 795 B16R3.6443 c1cc(c2cn[nH]c2c1)NCC3CC3 b9c65ee033e9ee0f552eb5c59d2abf5c [0,0,0,0,1,0|3,0,0]=4 796 B16R3.6443 c1cc(c2cncn2c1)NCC3CC3 9053e34d2b82fa32e005c71532b0e77b [0,0,0,0,1,0|3,0,0]=4 797 B16R3.6443 c1cc(c2cnoc2c1)NCC3CC3 236743777b1f41413b55fecf812f4575 [0,0,0,0,1,0|3,0,0]=4 798 B16R3.6443 c1cc(c2nc[nH]c2c1)COC3CC3 567818ff4f52a8ea8dad5d84a233c4c5 [0,0,0,0,1,0|3,0,0]=4 799 B16R3.6443 c1cc(c2nc[nH]c2c1)NCC3CC3 66ff7d1485568f166a270beb3de5536c [0,0,0,0,1,0|2,0,0]=3 800 B16R3.6443 c1cc(c2nc[nH]c2c1)OCC3CC3 5a375177f7f4863de39635f47236260a [0,0,0,0,1,0|3,0,0]=4 801 B16R3.6443 c1cc(c2nc[nH]c2n1)NCC3CC3 2f381365d7442c8b0856d689b383c848 [0,0,0,0,1,0|3,0,0]=4 802 B16R3.6443 c1cc(c2nccn2c1)CNC3CC3 3e009c6076c25c24a2f228add3c9b1a4 [0,0,0,0,1,0|2,0,0]=3 803 B16R3.6443 c1cc(c2nccn2c1)COC3CC3 b71b17c9ec035e9ac99c0b2f8698c7c2 [0,0,0,0,1,0|3,0,0]=4 804 B16R3.6443 c1cc(c2nccn2c1)NCC3CC3 69021dbe08ddc7e94d7aee92e8a12d31 [0,0,0,0,1,0|2,0,0]=3 805 B16R3.6443 c1cc(c2nccn2c1)OCC3CC3 811b4923992e0815d53f91221ad98573 [0,0,0,0,1,0|3,0,0]=4 806 B16R3.6443 c1cc(c2ncnn2c1)NCC3CC3 b7b44f3786d52ded2a5d683b56e3cf90 [0,0,0,0,1,0|3,0,0]=4 807 B16R3.6443 c1cc(c2ncoc2c1)CNC3CC3 5c03b975cf47958df6f792b539664264 [0,0,0,0,1,0|2,0,0]=3 808 B16R3.6443 c1cc(c2ncoc2c1)COC3CC3 d2b1a6b2444c73fc47306ad2be30c53a [0,0,0,0,1,0|3,0,0]=4 809 B16R3.6443 c1cc(c2ncoc2c1)NCC3CC3 ff918cd44298e9ec9bd06ec765389379 [0,0,0,0,1,0|2,0,0]=3 810 B16R3.6443 c1cc(c2ncoc2c1)OCC3CC3 8ffc1d1f4ded1aa672524c4943d8b57e [0,0,0,0,1,0|3,0,0]=4 811 B16R3.6443 c1cc(c2ncsc2c1)CNC3CC3 6b5367a8249856097d09a00c2d725d20 [0,0,0,0,1,0|2,0,0]=3 812 B16R3.6443 c1cc(c2ncsc2c1)COC3CC3 dd9d787bf9685073f2be4c7cfcb9ae2a [0,0,0,0,1,0|3,0,0]=4 813 B16R3.6443 c1cc(c2ncsc2c1)NCC3CC3 0d5d550c4166b53362b3b898866c127f [0,0,0,0,1,0|2,0,0]=3 814 B16R3.6443 c1cc(c2ncsc2c1)OCC3CC3 219a1ccb2332bce952ff77f4460216df [0,0,0,0,1,0|3,0,0]=4 815 B16R3.6443 c1cc(c2nn[nH]c2c1)NCC3CC3 6278802097fb84de62fb091af81e400d [0,0,0,0,1,0|3,0,0]=4 816 B16R3.6443 c1cc(c2nncn2c1)NCC3CC3 3568e271458e322fdf0266326f5bc581 [0,0,0,0,1,0|3,0,0]=4 817 B16R3.6443 c1cc(c2nnsc2c1)NCC3CC3 cd2941d43aa1c2553f95939468c74009 [0,0,0,0,1,0|3,0,0]=4 818 B16R3.6443 c1cc(c2nonc2c1)CNC3CC3 1e585b49b7c2ecca6b90935f79706b9d [0,0,0,0,1,0|3,0,0]=4 819 B16R3.6443 c1cc(c2nonc2c1)NCC3CC3 a9137020ba08902afee78b016aed23ca [0,0,0,0,1,0|3,0,0]=4 820 B16R3.6443 c1cc(c2nsnc2c1)CNC3CC3 a8aefb5cedda9aa4d2babb6bcf084365 [0,0,0,0,1,0|3,0,0]=4 821 B16R3.6443 c1cc(c2nsnc2c1)NCC3CC3 ffbede6a672b4f59a6c95ad131adabc1 [0,0,0,0,1,0|3,0,0]=4 822 B16R3.6443 c1cc(c2occc2c1)COC3CC3 b1e55a6d01635ffdd030b8307ec1d8b9 [0,0,0,0,1,0|1,1,0]=3 823 B16R3.6443 c1cc(c2occc2c1)NCC3CC3 5593198562d66c5af9666ea8f1cef821 [0,0,0,0,1,0|0,1,0]=2 824 B16R3.6443 c1cc(c2occc2c1)OCC3CC3 a086b61a415913176a007128fd197c31 [0,0,0,0,1,0|1,1,0]=3 825 B16R3.6443 c1cc(c2occc2n1)NCC3CC3 2771fc00d50d1a75e0495f42e5dcb37f [0,0,0,0,1,0|1,1,0]=3 826 B16R3.6443 c1cc(c2ocnc2c1)CNC3CC3 1a718d28521f2d709ebeb3f8cd6ffdde [0,0,0,0,1,0|1,1,0]=3 827 B16R3.6443 c1cc(c2ocnc2c1)COC3CC3 25222a11e3cbd6b626956aed23f77a22 [0,0,0,0,1,0|2,1,0]=4 828 B16R3.6443 c1cc(c2ocnc2c1)NCC3CC3 e0af35d0081c6b6c217fca0d5e70f350 [0,0,0,0,1,0|1,1,0]=3 829 B16R3.6443 c1cc(c2ocnc2c1)OCC3CC3 fe0412b514cb989d59a092a5bcfcf1cd [0,0,0,0,1,0|2,1,0]=4 830 B16R3.6443 c1cc(c2oncc2c1)NCC3CC3 73e9c4a6ce01aa9afcbf787ce69f894b [0,0,0,0,1,0|1,1,0]=3 831 B16R3.6443 c1cc(c2oncc2c1)OCC3CC3 81baf0309bffb018ac9749bb1ff460d4 [0,0,0,0,1,0|2,1,0]=4 832 B16R3.6443 c1cc(c2sccc2c1)CNC3CC3 8620b95bdb2c7a477fc393631c028ef5 [0,0,0,0,1,0|0,0,0]=1 833 B16R3.6443 c1cc(c2sccc2c1)COC3CC3 c0be9064ee4f271142d038e5494b4fbd [0,0,0,0,1,0|1,0,0]=2 834 B16R3.6443 c1cc(c2sccc2c1)OCC3CC3 5e3bd27a37d5ea0814b64821540315c4 [0,0,0,0,1,0|1,0,0]=2 835 B16R3.6443 c1cc(c2sccc2n1)NCC3CC3 966fb94231633d1428894d0a8100d3ee [0,0,0,0,1,0|1,0,0]=2 836 B16R3.6443 c1cc(c2sccc2n1)OCC3CC3 e895df9944ba997a81af4a6b7e883062 [0,0,0,0,1,0|2,0,0]=3 837 B16R3.6443 c1cc(c2scnc2c1)CNC3CC3 29e36900c4c073c9ffc36f116fb1e08b [0,0,0,0,1,0|1,0,0]=2 838 B16R3.6443 c1cc(c2scnc2c1)COC3CC3 b1a32090d1a22a8d4e0c373f753afcb9 [0,0,0,0,1,0|2,0,0]=3 839 B16R3.6443 c1cc(c2scnc2c1)NCC3CC3 33f77aa8b1604d9faebf36e820cdd5a1 [0,0,0,0,1,0|1,0,0]=2 840 B16R3.6443 c1cc(c2scnc2c1)OCC3CC3 d310c361da00cc93ee94c64becbf3d54 [0,0,0,0,1,0|2,0,0]=3 841 B16R3.6443 c1cc(c2sncc2c1)NCC3CC3 e8560e9a367a57e1c6a09b1df56de10f [0,0,0,0,1,0|1,0,0]=2 842 B16R3.6443 c1cc(c2snnc2c1)NCC3CC3 e81027784f0298e4ece3a2ae859413bf [0,0,0,0,1,0|2,0,0]=3 843 B16R3.6443 c1cc(n2ccnc2c1)NCC3CC3 6249a981a0f8fc0119a584b782164a24 [0,0,0,0,1,0|3,0,0]=4 844 B16R3.6443 c1cc(n2cncc2c1)NCC3CC3 1379ed5ca3f8d1a5a8a551267713c1f2 [0,0,0,0,1,0|3,0,0]=4 845 B16R3.6443 c1cc(n2nccc2c1)CNC3CC3 62f0669e6f827d043dc0abf279f0654b [0,0,0,0,1,0|2,0,0]=3 846 B16R3.6443 c1cc(n2nccc2c1)COC3CC3 0d3fd1938d09c76c170bc6a393442fe7 [0,0,0,0,1,0|3,0,0]=4 847 B16R3.6443 c1cc(n2nccc2c1)NCC3CC3 f76528abe770067c66859b48108a39aa [0,0,0,0,1,0|2,0,0]=3 848 B16R3.6443 c1cc(n2nccc2n1)NCC3CC3 8529ff4a1666ba198f312319461ddec8 [0,0,0,0,1,0|3,0,0]=4 849 B16R3.6443 c1cc(n2ncnc2c1)CNC3CC3 ddb6aad37f582574fd185592f5167704 [0,0,0,0,1,0|3,0,0]=4 850 B16R3.6443 c1cc(n2ncnc2c1)NCC3CC3 6cb3205a068d32a6423c513a1eb02790 [0,0,0,0,1,0|3,0,0]=4 851 B16R3.6443 c1cc-2[nH]cnc(c2n1)NCC3CC3 be2d3065b2c6e73f2a274afb08a83d01 [0,0,0,0,1,0|3,0,0]=4 852 B16R3.6443 c1cc-2ccnc2n(c1)OCC3CC3 e4bbce18afcf05aea621cbeb12fe452f [0,0,0,0,1,0|3,0,0]=4 853 B16R3.6443 c1cc2[nH]ccc2c(n1)CNC3CC3 9711e6f9830aba08c8183dcccbd3b29c [0,0,0,0,1,0|3,0,0]=4 854 B16R3.6443 c1cc2[nH]ccc2c(n1)NCC3CC3 09bce3d3c46cdf34f5969e23faf6b3cf [0,0,0,0,1,0|3,0,0]=4 855 B16R3.6443 c1cc2c(c(c1)NCC3CC3)CCC2 67edfb729285564dac7ec23629fd9fc5 [0,0,0,0,1,0|1,0,2]=4 856 B16R3.6443 c1cc2c(c(c1)NCC3CC3)CCN2 d9b06e1239eec2df8fdf9d8b7470931b [0,0,0,0,1,0|2,0,1]=4 857 B16R3.6443 c1cc2c(c(c1)NCC3CC3)CNC2 8b57a24348326ff9c953259c5b125d9b [0,0,0,0,1,0|2,0,1]=4 858 B16R3.6443 c1cc2c(c(c1)NCC3CC3)COC2 e83db6869741b8486073429e621f27fa [0,0,0,0,1,0|2,0,1]=4 859 B16R3.6443 c1cc2c(c(c1)NCC3CC3)NCC2 5616ed60f2d1c603d6832cd37a1461c0 [0,0,0,0,1,0|1,0,2]=4 860 B16R3.6443 c1cc2c(c(c1)NCC3CC3)OCC2 93062a4f49a8a4b2708e93cea43b0fab [0,0,0,0,1,0|0,1,2]=4 861 B16R3.6443 c1cc2c(ccnn2c1)NCC3CC3 63a7b52626a8d9af476d074d9e7036d8 [0,0,0,0,1,0|3,0,0]=4 862 B16R3.6443 c1cc2c(cncc2[nH]1)NCC3CC3 588914f27db194c94ee2d76a45223745 [0,0,0,0,1,0|3,0,0]=4 863 B16R3.6443 c1cc2c(nccn2c1)NCC3CC3 d7dee1022ef86a5b1ef440f9bdbb82c6 [0,0,0,0,1,0|3,0,0]=4 864 B16R3.6443 c1cc2cc[nH]c2c(n1)COC3CC3 54bdcad2edfc01e7cecc55eb1c85ca61 [0,0,0,0,1,0|3,0,0]=4 865 B16R3.6443 c1cc2cc[nH]c2c(n1)NCC3CC3 b41060e5c26191944661f1c30793a9ee [0,0,0,0,1,0|2,0,0]=3 866 B16R3.6443 c1cc2ccnn2c(n1)NCC3CC3 e5281e82cb693602368895224d104f4f [0,0,0,0,1,0|3,0,0]=4 867 B16R3.6443 c1cc2ccoc2c(n1)NCC3CC3 bce30cb0d08b24e523cdd658aab5b214 [0,0,0,0,1,0|1,1,0]=3 868 B16R3.6443 c1cc2ccsc2c(n1)NCC3CC3 1121dd3e691b51edde3d115ceb219bab [0,0,0,0,1,0|1,0,0]=2 869 B16R3.6443 c1cc2cn[nH]c2c(n1)NCC3CC3 d8cba0bde4396fbf4a68b9c6b9fde040 [0,0,0,0,1,0|3,0,0]=4 870 B16R3.6443 c1cc2cncc(c2[nH]1)COC3CC3 cd94758f2715ffcf3161ca02b71860e6 [0,0,0,0,1,0|3,0,0]=4 871 B16R3.6443 c1cc2cncc(c2[nH]1)NCC3CC3 0df909ae9f87309e90f73abbd3cfb2d3 [0,0,0,0,1,0|2,0,0]=3 872 B16R3.6443 c1cc2nc[nH]c2c(n1)NCC3CC3 62d55e6fcc1cdb1bffb8d104a78eed68 [0,0,0,0,1,0|3,0,0]=4 873 B16R3.6443 c1cc2ncsc2c(n1)NCC3CC3 7a55e4655a83f2c78f585aed7b1c3106 [0,0,0,0,1,0|2,0,0]=3 874 B16R3.6443 c1cc2occc2c(n1)NCC3CC3 061708ed181f9e980ec442043fbfd879 [0,0,0,0,1,0|3,0,0]=4 875 B16R3.6443 c1cc2ocnc2c(n1)NCC3CC3 fa4f111f81cff20d7ce9b9ff18630370 [0,0,0,0,1,0|3,0,0]=4 876 B16R3.6443 c1cc2sccc2c(n1)NCC3CC3 a92db5ccbf548636eb95ae4aa8d1ea0e [0,0,0,0,1,0|3,0,0]=4 877 B16R3.6443 c1cc2scnc2c(n1)NCC3CC3 0af011413ad5a81ca61eec52aeb3beeb [0,0,0,0,1,0|3,0,0]=4 878 B16R3.6443 c1cn2ccnc2c(n1)NCC3CC3 a7c38b869adab7c0237402cea284777f [0,0,0,0,1,0|3,0,0]=4 879 B16R3.6443 c1cn2nccc(c2n1)NCC3CC3 e631bd218ba41d5b178dc6ff4360b7b9 [0,0,0,0,1,0|3,0,0]=4 880 B16R3.6443 c1nc(c2[nH]ccc2n1)NCC3CC3 5bca51a756602279c4a1dafcb44d6018 [0,0,0,0,1,0|3,0,0]=4 881 B16R3.6443 c1nc(c2sccc2n1)NCC3CC3 e59f6443aa0b8dc9882208faf85210a7 [0,0,0,0,1,0|2,0,0]=3 882 B16R3.6443 c1nc2c(cncc2[nH]1)CNC3CC3 b706b4380077c57749c9d8aa59d2a155 [0,0,0,0,1,0|3,0,0]=4 883 B16R3.275777 c1cc2scc(c2s1)OCCC3CC3 99ce1e2a47c1b1c351110188f2bae75e [0,0,0,0,1,0|3,0,0]=4 884 B18R3.2175 C1=CCc2c(cccc2OCCC3CC3)C1 afafaa78fd8023ce24794aaa09471036 [0,0,0,0,0,1|3,0,0]=4 885 B18R3.2175 c1cc(c2c(c1)OCCO2)CNCC3CC3 78b9b971c5efae3fe54123710107c817 [0,0,0,0,0,1|0,1,2]=4 886 B18R3.2175 c1cc(c2cccnc2c1)CNCC3CC3 77a4257ddaf1a146383987db9cf81e14 [0,0,0,0,0,1|1,0,0]=2 887 B18R3.2175 c1cc(c2cccnc2c1)COCC3CC3 2ee3e3abaa2e27ad47d6deebe4560e46 [0,0,0,0,0,1|2,0,0]=3 888 B18R3.2175 c1cc(c2cccnc2c1)NCCC3CC3 08560391a609c1edc0d14b1f2798cba6 [0,0,0,0,0,1|3,0,0]=4 889 B18R3.2175 c1cc(c2cccnc2c1)OCCC3CC3 b4f624b158fa863784b3b7424b25630f [0,0,0,0,0,1|3,0,0]=4 890 B18R3.2175 c1cc(c2ccncc2c1)CNCC3CC3 6b085fb7e3cc4b8079c09f9f687bbfe4 [0,0,0,0,0,1|1,0,0]=2 891 B18R3.2175 c1cc(c2ccncc2c1)COCC3CC3 d6682a5fcbd3255c73ed53cf0fc21590 [0,0,0,0,0,1|2,0,0]=3 892 B18R3.2175 c1cc(c2ccncc2c1)NCCC3CC3 e3516d778d7137c102ed5eaf03d1c6e7 [0,0,0,0,0,1|3,0,0]=4 893 B18R3.2175 c1cc(c2ccncc2c1)OCCC3CC3 f4abfa396478d2ff03ac796a42c58505 [0,0,0,0,0,1|3,0,0]=4 894 B18R3.2175 c1cc(c2cnccc2c1)CNCC3CC3 deac7661a50bca7852e4016e4da7ab3b [0,0,0,0,0,1|1,0,0]=2 895 B18R3.2175 c1cc(c2cnccc2c1)COCC3CC3 db98f3a51f2b8138b3475f2ac5bf563e [0,0,0,0,0,1|2,0,0]=3 896 B18R3.2175 c1cc(c2cnccc2c1)NCCC3CC3 82c3a5579b08a0e37a00a93fb7d19c3e [0,0,0,0,0,1|3,0,0]=4 897 B18R3.2175 c1cc(c2cnccc2c1)OCCC3CC3 8eff79f823e865f53eaf4963f66dad07 [0,0,0,0,0,1|3,0,0]=4 898 B18R3.2175 c1cc(c2nccnc2c1)CNCC3CC3 86e6753dcb5618a306f212e91b0cd9fa [0,0,0,0,0,1|1,0,0]=2 899 B18R3.2175 c1cc(c2nccnc2c1)COCC3CC3 eb7558165be7591c02391b910cce048a [0,0,0,0,0,1|2,0,0]=3 900 B18R3.2175 c1cc(c2nccnc2c1)NCCC3CC3 c5bbe75c7965e5758ec7ae6268449356 [0,0,0,0,0,1|3,0,0]=4 901 B18R3.2175 c1cc(c2nccnc2c1)OCCC3CC3 dae57db177372908ae219fa1daeac02b [0,0,0,0,0,1|3,0,0]=4 902 B18R3.2175 c1cc(c2ncncc2c1)NCCC3CC3 1d876b00a715fb41879ac834f818a780 [0,0,0,0,0,1|3,0,0]=4 903 B18R3.2175 c1cc(c2ncncc2c1)OCCC3CC3 363d8dac327f19a6af1a17d55fd895b0 [0,0,0,0,0,1|3,0,0]=4 904 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)CCCC2 a63db16e989cdb7a5554134319bb1bf1 [0,0,0,0,0,1|1,0,2]=4 905 B18R3.2175 c1ccc2c(cccc2c1)CCNC3CC3 ceb579aef80d21e1263dc73f01244789 [0,0,0,0,0,1|3,0,0]=4 906 B18R3.2175 c1ccc2c(cccc2c1)CCOC3CC3 3b99929f083cecaf1e37403922c4922c [0,0,0,0,0,1|3,0,0]=4 907 B18R3.2175 c1ccc2c(cccc2c1)CNCC3CC3 b28ff6b2d7f19510bb6a7f6a14e36328 [0,0,0,0,0,1|1,0,0]=2 908 B18R3.2175 c1ccc2c(cccc2c1)COCC3CC3 eb2f359ae7c0241a782b805814e2bc3e [0,0,0,0,0,1|2,0,0]=3 909 B18R3.2175 c1ccc2c(cccc2c1)OCCC3CC3 cc83cefd97b6d4c82afb2d3df7aa419c [0,0,0,0,0,1|3,0,0]=4 910 B18R3.2175 c1ccc2c(ccnc2c1)CNCC3CC3 6b5734f0305ef3a7d324f806d3e74aca [0,0,0,0,0,1|2,0,0]=3 911 B18R3.2175 c1ccc2c(ccnc2c1)COCC3CC3 654735b31715475cddaed9ff0579b6c1 [0,0,0,0,0,1|3,0,0]=4 912 B18R3.2175 c1ccc2c(cncc2c1)CNCC3CC3 0459c1846e45ac64f7b042fff2a58bfe [0,0,0,0,0,1|2,0,0]=3 913 B18R3.2175 c1ccc2c(cncc2c1)COCC3CC3 fb66b1a6ecbf6be884cca62ef1e48bc0 [0,0,0,0,0,1|3,0,0]=4 914 B18R3.2175 c1ccc2c(nccc2c1)CNCC3CC3 eedb81524df11e9199130735da5476a8 [0,0,0,0,0,1|2,0,0]=3 915 B18R3.2175 c1ccc2c(nccc2c1)COCC3CC3 c689c66b4e5bfd6e3a8ccecec92bf7fe [0,0,0,0,0,1|3,0,0]=4 916 B18R3.2175 c1cnc2c(cccc2c1)CNCC3CC3 6c5e13dbec0db9e462b675d0163dc192 [0,0,0,0,0,1|1,0,0]=2 917 B18R3.2175 c1cnc2c(cccc2c1)COCC3CC3 50e8d3ceb4a61392ac2fd3b8f44b8615 [0,0,0,0,0,1|2,0,0]=3 918 B18R3.2175 c1cnc2c(cccc2c1)NCCC3CC3 607da411e8fd2be0a37b41c9e7c6a244 [0,0,0,0,0,1|3,0,0]=4 919 B18R3.2175 c1cnc2c(cccc2c1)OCCC3CC3 9d54958f062fea65552d74afaf999a26 [0,0,0,0,0,1|3,0,0]=4 920 B18R3.2175 c1cnc2c(cncc2c1)COCC3CC3 aacca760ee13bf2a3c7ff3e197038081 [0,0,0,0,0,1|3,0,0]=4 921 B18R3.36498 c1cc(c2[nH]ccc2c1)CNCC3CCC3 d539887c3a5a2b7622e7a20b4599f364 [0,0,0,0,0,1|1,0,0]=2 922 B18R3.36498 c1cc(c2[nH]ccc2c1)CNCC3CCO3 39b93a48bf4e1aff5b8c307e5408d04a [0,0,0,0,0,1|1,0,0]=2 923 B18R3.36498 c1cc(c2[nH]ccc2c1)CNCC3COC3 264117bfbb19d42d01983c6f93288dc3 [0,0,0,0,0,1|1,0,0]=2 924 B18R3.36498 c1cc(c2[nH]ccc2c1)CNC[C@@H]3CCO3 b3443800d7e14fe9d31683db11b01e68 [0,0,0,0,0,1|1,0,0]=2 925 B18R3.36498 c1cc(c2[nH]ccc2c1)CNC[C@H]3CCO3 07339f095b750a2f99a20fb49cb0e674 [0,0,0,0,0,1|1,0,0]=2 926 B18R3.36498 c1cc(c2[nH]ccc2c1)COCC3CCC3 73b512236b0a6b63fad577c9fbad2138 [0,0,0,0,0,1|2,0,0]=3 927 B18R3.36498 c1cc(c2[nH]ccc2c1)COCC3CCO3 a29409d3d7d5fc4d913a1d74e301078b [0,0,0,0,0,1|2,0,0]=3 928 B18R3.36498 c1cc(c2[nH]ccc2c1)COCC3COC3 02fe139a5b533956028375320a8c4b30 [0,0,0,0,0,1|2,0,0]=3 929 B18R3.36498 c1cc(c2[nH]ccc2c1)COC[C@@H]3CCO3 364586fb307ab37576f43b9017bc2aa0 [0,0,0,0,0,1|2,0,0]=3 930 B18R3.36498 c1cc(c2[nH]ccc2c1)COC[C@H]3CCO3 4ddea99994f99881a4d4553acfd56df1 [0,0,0,0,0,1|2,0,0]=3 931 B18R3.36498 c1cc(c2[nH]ccc2c1)NCCC3CCC3 2318c0a0f4e826491c829b3fd2000dbf [0,0,0,0,0,1|3,0,0]=4 932 B18R3.36498 c1cc(c2[nH]ccc2c1)NCCC3CCO3 324633e2648adfd15963555721b42f15 [0,0,0,0,0,1|3,0,0]=4 933 B18R3.36498 c1cc(c2[nH]ccc2c1)NCCC3COC3 3a53c2a52c21e342250c68148fdc78ed [0,0,0,0,0,1|3,0,0]=4 934 B18R3.36498 c1cc(c2[nH]ccc2c1)OCCC3CCC3 b87c1b1e9a3b42e3f8f659914ab1b338 [0,0,0,0,0,1|3,0,0]=4 935 B18R3.36498 c1cc(c2[nH]ccc2c1)OCCC3CCO3 6e240f030cabd98f93f2aa0da0fdb1a0 [0,0,0,0,0,1|3,0,0]=4 936 B18R3.36498 c1cc(c2[nH]ccc2c1)OCCC3COC3 1450b34029ad264e72fc4b58b907cb06 [0,0,0,0,0,1|3,0,0]=4 937 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3CCC3 64c23ddfd8ff5b3c6137e2a766adfe1c [0,0,0,0,0,1|2,0,0]=3 938 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3CCO3 9b8455a7a8e67d9dabb208533b97884c [0,0,0,0,0,1|2,0,0]=3 939 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3COC3 784d6150ad3ffb36a952aeb3115ba981 [0,0,0,0,0,1|2,0,0]=3 940 B18R3.36498 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCO3 d8dce8d71e056f789337e354f37cb63a [0,0,0,0,0,1|2,0,0]=3 941 B18R3.36498 c1cc(c2[nH]ncc2c1)CNC[C@H]3CCO3 4f28a8f5efe643272479a66aafda044e [0,0,0,0,0,1|2,0,0]=3 942 B18R3.36498 c1cc(c2[nH]ncc2c1)COCC3CCC3 e0d97afd84df2667d9945375f741c8ac [0,0,0,0,0,1|3,0,0]=4 943 B18R3.36498 c1cc(c2[nH]ncc2c1)COCC3CCO3 f260b6f732abed11e29fe6578716169b [0,0,0,0,0,1|3,0,0]=4 944 B18R3.36498 c1cc(c2[nH]ncc2c1)COCC3COC3 5fd98ecd2aaa18f7b3632bdd65503618 [0,0,0,0,0,1|3,0,0]=4 945 B18R3.36498 c1cc(c2[nH]ncc2c1)COCC3CSC3 c82098de9c72baf5b6fdbce034da437d [0,0,0,0,0,1|3,0,0]=4 946 B18R3.36498 c1cc(c2[nH]ncc2c1)COC[C@@H]3CCO3 bfe21b8e1e20d9ca0edef66ad8cbcb33 [0,0,0,0,0,1|3,0,0]=4 947 B18R3.36498 c1cc(c2[nH]ncc2c1)COC[C@H]3CCO3 d2cae125d5ac61cbfe72dff9bc54a1ba [0,0,0,0,0,1|3,0,0]=4 948 B18R3.36498 c1cc(c2c(c1)OCC2)CNCC3CCC3 cb8f5c011a3c943440d2898106d2ebd3 [0,0,0,0,0,1|2,0,1]=4 949 B18R3.36498 c1cc(c2c(c1)OCC2)CNCC3CCO3 b077c7391f07d98261224510a2148958 [0,0,0,0,0,1|2,0,1]=4 950 B18R3.36498 c1cc(c2c(c1)OCC2)CNCC3COC3 6ea1a5f56dc9335859313dc73653c6dd [0,0,0,0,0,1|2,0,1]=4 951 B18R3.36498 c1cc(c2c(c1)OCC2)CNC[C@@H]3CCO3 cd4037ca27c5403b754d8b978b900327 [0,0,0,0,0,1|2,0,1]=4 952 B18R3.36498 c1cc(c2c(c1)OCC2)CNC[C@H]3CCO3 24708cdb07400e5088e7f393b9ea8457 [0,0,0,0,0,1|2,0,1]=4 953 B18R3.36498 c1cc(c2cc[nH]c2c1)CNCC3CCC3 3a63b8814d008a590fe1fda300232217 [0,0,0,0,0,1|2,0,0]=3 954 B18R3.36498 c1cc(c2cc[nH]c2c1)CNCC3CCO3 9afdb20b2ad2fbf9ba22d2d86ac532ba [0,0,0,0,0,1|2,0,0]=3 955 B18R3.36498 c1cc(c2cc[nH]c2c1)CNCC3COC3 c3d48a3f250de4679db588d89f61311b [0,0,0,0,0,1|2,0,0]=3 956 B18R3.36498 c1cc(c2cc[nH]c2c1)CNC[C@@H]3CCO3 12e3379327162997b4a474e5c1a58efd [0,0,0,0,0,1|2,0,0]=3 957 B18R3.36498 c1cc(c2cc[nH]c2c1)CNC[C@H]3CCO3 ef4a1862fcf82f7eed711f35e15006c7 [0,0,0,0,0,1|2,0,0]=3 958 B18R3.36498 c1cc(c2cc[nH]c2c1)COCC3CCC3 8a00bbd510b706de5ed2339bc73b6f1d [0,0,0,0,0,1|3,0,0]=4 959 B18R3.36498 c1cc(c2cc[nH]c2c1)COCC3CCO3 8da4b1cf6299bed8768258e86d8e1c39 [0,0,0,0,0,1|3,0,0]=4 960 B18R3.36498 c1cc(c2cc[nH]c2c1)COCC3COC3 ecd58579592ed58fd0e5bd70231f9478 [0,0,0,0,0,1|3,0,0]=4 961 B18R3.36498 c1cc(c2cc[nH]c2c1)COC[C@@H]3CCO3 5bdb5babd9964c0191edbeee288daf24 [0,0,0,0,0,1|3,0,0]=4 962 B18R3.36498 c1cc(c2cc[nH]c2c1)COC[C@H]3CCO3 964826063248f016308208a2d0dbbccd [0,0,0,0,0,1|3,0,0]=4 963 B18R3.36498 c1cc(c2cc[nH]c2n1)CNCC3CCC3 345192f49216039d62a637639082421b [0,0,0,0,0,1|3,0,0]=4 964 B18R3.36498 c1cc(c2cc[nH]c2n1)CNCC3CCO3 6a42795cd2d5c7d9a63f4534d367e27f [0,0,0,0,0,1|3,0,0]=4 965 B18R3.36498 c1cc(c2cc[nH]c2n1)CNCC3COC3 8770f3050c120140096e404202fe86e5 [0,0,0,0,0,1|3,0,0]=4 966 B18R3.36498 c1cc(c2cc[nH]c2n1)CNC[C@@H]3CCO3 90bb6025cfb7dce39e9375995dcfe9c4 [0,0,0,0,0,1|3,0,0]=4 967 B18R3.36498 c1cc(c2cc[nH]c2n1)CNC[C@H]3CCO3 08bbe8be59de60a5f3de72b93ab91993 [0,0,0,0,0,1|3,0,0]=4 968 B18R3.36498 c1cc(c2ccnn2c1)CNCC3CCC3 1685703221d8753e7dcf47d5137b09d7 [0,0,0,0,0,1|3,0,0]=4 969 B18R3.36498 c1cc(c2ccnn2c1)CNCC3CCO3 7da8e59e765dcdca23dc5687d15d1488 [0,0,0,0,0,1|3,0,0]=4 970 B18R3.36498 c1cc(c2ccnn2c1)CNCC3COC3 39f8341c7a057934f26f8999a3aabc98 [0,0,0,0,0,1|3,0,0]=4 971 B18R3.36498 c1cc(c2ccnn2c1)CNC[C@@H]3CCO3 31e99649d2f78903dfd7627c448781eb [0,0,0,0,0,1|3,0,0]=4 972 B18R3.36498 c1cc(c2ccnn2c1)CNC[C@H]3CCO3 1185e41a3db9a5cfa7b78d0a618a3bac [0,0,0,0,0,1|3,0,0]=4 973 B18R3.36498 c1cc(c2ccsc2c1)CNCC3CCC3 2a72233d57208ad8cc95d944ce2a4a86 [0,0,0,0,0,1|2,0,0]=3 974 B18R3.36498 c1cc(c2ccsc2c1)CNCC3CCO3 1fe6aeaafee9ca91615174e5b64dc053 [0,0,0,0,0,1|2,0,0]=3 975 B18R3.36498 c1cc(c2ccsc2c1)CNCC3COC3 e20eafc40106c7a3615bfb17e77e89c7 [0,0,0,0,0,1|2,0,0]=3 976 B18R3.36498 c1cc(c2ccsc2c1)CNC[C@@H]3CCO3 0aa914ef07e097797da72e18de386574 [0,0,0,0,0,1|2,0,0]=3 977 B18R3.36498 c1cc(c2ccsc2c1)CNC[C@H]3CCO3 be894371b916f02ee479345911b31801 [0,0,0,0,0,1|2,0,0]=3 978 B18R3.36498 c1cc(c2ccsc2c1)COCC3CCC3 5c8269b854ca6d80fd5a1a08fcb8bae0 [0,0,0,0,0,1|3,0,0]=4 979 B18R3.36498 c1cc(c2ccsc2c1)COCC3CCO3 503dc2b44c49bf14966477564d21a1da [0,0,0,0,0,1|3,0,0]=4 980 B18R3.36498 c1cc(c2ccsc2c1)COCC3COC3 b8991722b1a6f62c4aadafa40f9ac0c2 [0,0,0,0,0,1|3,0,0]=4 981 B18R3.36498 c1cc(c2ccsc2c1)COCC3CSC3 4d0ff4a3e113ee47fab2449c870173de [0,0,0,0,0,1|3,0,0]=4 982 B18R3.36498 c1cc(c2ccsc2c1)COC[C@@H]3CCO3 a7b64da35c001e0de5aa353e500b83dc [0,0,0,0,0,1|3,0,0]=4 983 B18R3.36498 c1cc(c2ccsc2c1)COC[C@H]3CCO3 70b5808165b315f0882219649a399d7e [0,0,0,0,0,1|3,0,0]=4 984 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3CCC3 ba8eb0504dd9520f10051eb735ec87bb [0,0,0,0,0,1|3,0,0]=4 985 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3CCO3 bea226cedf0072da98b16a705a12de51 [0,0,0,0,0,1|3,0,0]=4 986 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3COC3 21c204c37f5437ba1a84a5069e4bbaf7 [0,0,0,0,0,1|3,0,0]=4 987 B18R3.36498 c1cc(c2cn[nH]c2c1)CNC[C@@H]3CCO3 b74c031f448250853e85d04480505a9a [0,0,0,0,0,1|3,0,0]=4 988 B18R3.36498 c1cc(c2cn[nH]c2c1)CNC[C@H]3CCO3 eaede31caab1a5c2479b4f311aa4efb0 [0,0,0,0,0,1|3,0,0]=4 989 B18R3.36498 c1cc(c2nc[nH]c2c1)COCC3CCC3 84d4984244649ad70a659dd9ba200aeb [0,0,0,0,0,1|3,0,0]=4 990 B18R3.36498 c1cc(c2nc[nH]c2c1)COCC3CCO3 13e27c07ba4087fb872a178ce6ee1717 [0,0,0,0,0,1|3,0,0]=4 991 B18R3.36498 c1cc(c2nc[nH]c2c1)COCC3COC3 ad8945997adf94701ea14751538d7ed3 [0,0,0,0,0,1|3,0,0]=4 992 B18R3.36498 c1cc(c2nc[nH]c2c1)COC[C@@H]3CCO3 d6825a5f36cae5a7a2b95084c83e7fa0 [0,0,0,0,0,1|3,0,0]=4 993 B18R3.36498 c1cc(c2nc[nH]c2c1)COC[C@H]3CCO3 ad99a97d2f28ec31b2193f9dd8607aac [0,0,0,0,0,1|3,0,0]=4 994 B18R3.36498 c1cc(c2nc[nH]c2n1)CNCC3CCC3 6fdf55b51df17c52a912d0a04fcdf019 [0,0,0,0,0,1|3,0,0]=4 995 B18R3.36498 c1cc(c2nc[nH]c2n1)CNCC3CCO3 a327a9deeab28c0130d0eedf9f97705b [0,0,0,0,0,1|3,0,0]=4 996 B18R3.36498 c1cc(c2nc[nH]c2n1)CNCC3COC3 7512abe34d9cb539c88aea1ef2fd61bd [0,0,0,0,0,1|3,0,0]=4 997 B18R3.36498 c1cc(c2nc[nH]c2n1)CNC[C@@H]3CCO3 529579cf76d75973e0b917ad7f6b9030 [0,0,0,0,0,1|3,0,0]=4 998 B18R3.36498 c1cc(c2nc[nH]c2n1)CNC[C@H]3CCO3 2ad63a2c4f1cb3aefa3013b4e0d2cd96 [0,0,0,0,0,1|3,0,0]=4 999 B18R3.36498 c1cc(c2nccn2c1)CNCC3CCC3 2e8cb20c165b5dfc2d70652ba482d058 [0,0,0,0,0,1|2,0,0]=3 1000 B18R3.36498 c1cc(c2nccn2c1)CNCC3CCO3 e6bab88aa0944434c2c7acc4cb65c957 [0,0,0,0,0,1|2,0,0]=3 1001 B18R3.36498 c1cc(c2nccn2c1)CNCC3COC3 be5bd914d7d34ec52f1d3752c6eeeb3f [0,0,0,0,0,1|2,0,0]=3 1002 B18R3.36498 c1cc(c2nccn2c1)CNC[C@@H]3CCO3 a92785fc085c7457b6d550d2d6f76d80 [0,0,0,0,0,1|2,0,0]=3 1003 B18R3.36498 c1cc(c2nccn2c1)CNC[C@H]3CCO3 6fd7979cdfbe1dfc69fb4426d0ff15e0 [0,0,0,0,0,1|2,0,0]=3 1004 B18R3.36498 c1cc(c2nccn2c1)COCC3CCC3 3a446359ba8bfc4dc6e93e76cedd04bd [0,0,0,0,0,1|3,0,0]=4 1005 B18R3.36498 c1cc(c2nccn2c1)COCC3CCO3 b316b78653e0592969139e6e27101b3b [0,0,0,0,0,1|3,0,0]=4 1006 B18R3.36498 c1cc(c2nccn2c1)COCC3COC3 a03e701b6cd1de8e84bcd0e4dd51a9bc [0,0,0,0,0,1|3,0,0]=4 1007 B18R3.36498 c1cc(c2nccn2c1)COC[C@@H]3CCO3 561eae641ca642a8c3fc111e7afe1acf [0,0,0,0,0,1|3,0,0]=4 1008 B18R3.36498 c1cc(c2nccn2c1)COC[C@H]3CCO3 17420d855dc8d4319c9bbfb6dd1f3383 [0,0,0,0,0,1|3,0,0]=4 1009 B18R3.36498 c1cc(c2ncoc2c1)CNCC3CCC3 fe986a0825c413fcb3b8d01406e7410e [0,0,0,0,0,1|2,0,0]=3 1010 B18R3.36498 c1cc(c2ncoc2c1)CNCC3CCO3 5e0cb67d9a8c936ab063727fd89f7802 [0,0,0,0,0,1|2,0,0]=3 1011 B18R3.36498 c1cc(c2ncoc2c1)CNCC3COC3 d1a9d7a9834fc6bf33385aebe7274ccf [0,0,0,0,0,1|2,0,0]=3 1012 B18R3.36498 c1cc(c2ncoc2c1)CNC[C@@H]3CCO3 f1f4ef82d24082f95986b444005574eb [0,0,0,0,0,1|2,0,0]=3 1013 B18R3.36498 c1cc(c2ncoc2c1)CNC[C@H]3CCO3 8446a63024b83a17f40b3b21acee5aff [0,0,0,0,0,1|2,0,0]=3 1014 B18R3.36498 c1cc(c2ncoc2c1)COCC3CCC3 71753433f51ef02277203595f803893c [0,0,0,0,0,1|3,0,0]=4 1015 B18R3.36498 c1cc(c2ncoc2c1)COCC3CCO3 dfb1d7f1739561e5e9fea1a0a4ba7721 [0,0,0,0,0,1|3,0,0]=4 1016 B18R3.36498 c1cc(c2ncoc2c1)COCC3COC3 2e930f3fa381957e6b8eab5a1283b7e9 [0,0,0,0,0,1|3,0,0]=4 1017 B18R3.36498 c1cc(c2ncoc2c1)COCC3CSC3 5d2876a3ab901cf91d569db0b1d7fc3e [0,0,0,0,0,1|3,0,0]=4 1018 B18R3.36498 c1cc(c2ncoc2c1)COC[C@@H]3CCO3 7a9ae0a4cf7d558feff9a2e00a91a243 [0,0,0,0,0,1|3,0,0]=4 1019 B18R3.36498 c1cc(c2ncoc2c1)COC[C@H]3CCO3 697a87773b50c996ddc43e412bfc9078 [0,0,0,0,0,1|3,0,0]=4 1020 B18R3.36498 c1cc(c2ncsc2c1)CNCC3CCC3 a88878b197da286845f709d801f7bb0b [0,0,0,0,0,1|2,0,0]=3 1021 B18R3.36498 c1cc(c2ncsc2c1)CNCC3CCO3 0d7ebb322d925241652d19e22c6f636a [0,0,0,0,0,1|2,0,0]=3 1022 B18R3.36498 c1cc(c2ncsc2c1)CNCC3COC3 e85ea3c2ffdd739b64e72e694b62de78 [0,0,0,0,0,1|2,0,0]=3 1023 B18R3.36498 c1cc(c2ncsc2c1)CNC[C@@H]3CCO3 5961f142923399c7027ea11dee40666b [0,0,0,0,0,1|2,0,0]=3 1024 B18R3.36498 c1cc(c2ncsc2c1)CNC[C@H]3CCO3 66518bc257cf28c2837a0e58ad0c2c05 [0,0,0,0,0,1|2,0,0]=3 1025 B18R3.36498 c1cc(c2ncsc2c1)COCC3CCC3 6908437766d432e59e270f828bbe723f [0,0,0,0,0,1|3,0,0]=4 1026 B18R3.36498 c1cc(c2ncsc2c1)COCC3CCO3 89c8a4e31e50c7cb81c770f1c6a2223b [0,0,0,0,0,1|3,0,0]=4 1027 B18R3.36498 c1cc(c2ncsc2c1)COCC3COC3 80183f42c0d68f920a933f240e47ec17 [0,0,0,0,0,1|3,0,0]=4 1028 B18R3.36498 c1cc(c2ncsc2c1)COCC3CSC3 ac38227616717e5badb18cc4ee8e596d [0,0,0,0,0,1|3,0,0]=4 1029 B18R3.36498 c1cc(c2ncsc2c1)COC[C@@H]3CCO3 448ccda57c4098d125d6a11489b62b5f [0,0,0,0,0,1|3,0,0]=4 1030 B18R3.36498 c1cc(c2ncsc2c1)COC[C@H]3CCO3 4fe486f7dbca64ef79cd4abbbe90e634 [0,0,0,0,0,1|3,0,0]=4 1031 B18R3.36498 c1cc(c2nonc2c1)CNCC3CCC3 cce512c4d273daded527b5510314fa39 [0,0,0,0,0,1|3,0,0]=4 1032 B18R3.36498 c1cc(c2nonc2c1)CNCC3CCO3 f48c79b0e28eae9efc0bd2f46a7be785 [0,0,0,0,0,1|3,0,0]=4 1033 B18R3.36498 c1cc(c2nonc2c1)CNCC3COC3 f6efdc8bac83eb3cde3ea3e217202b8b [0,0,0,0,0,1|3,0,0]=4 1034 B18R3.36498 c1cc(c2nonc2c1)CNC[C@@H]3CCO3 9b36a60f6c6fa70a875299239fc45fa1 [0,0,0,0,0,1|3,0,0]=4 1035 B18R3.36498 c1cc(c2nonc2c1)CNC[C@H]3CCO3 df50f0f852b7aa4cd259080b3896e428 [0,0,0,0,0,1|3,0,0]=4 1036 B18R3.36498 c1cc(c2nsnc2c1)CNCC3CCC3 fe6cc14a094886cabe4673a93e97e6a4 [0,0,0,0,0,1|3,0,0]=4 1037 B18R3.36498 c1cc(c2nsnc2c1)CNCC3CCO3 6f10cde54156f47115fa72413fcff080 [0,0,0,0,0,1|3,0,0]=4 1038 B18R3.36498 c1cc(c2nsnc2c1)CNCC3COC3 78fe5bbff09662d6644dc029aedf0ea4 [0,0,0,0,0,1|3,0,0]=4 1039 B18R3.36498 c1cc(c2nsnc2c1)CNC[C@@H]3CCO3 68753f85a6d4ffac08247efbbe399807 [0,0,0,0,0,1|3,0,0]=4 1040 B18R3.36498 c1cc(c2nsnc2c1)CNC[C@H]3CCO3 451633115e73e9e1687724e40cc116a2 [0,0,0,0,0,1|3,0,0]=4 1041 B18R3.36498 c1cc(c2occc2c1)CNCC3CCC3 4b1ef5bfae09bc92fa2ffd7572540c49 [0,0,0,0,0,1|0,1,0]=2 1042 B18R3.36498 c1cc(c2occc2c1)CNCC3CCO3 129aae3723d4200b06741ae9c2d2cd50 [0,0,0,0,0,1|0,1,0]=2 1043 B18R3.36498 c1cc(c2occc2c1)CNCC3COC3 6d8c00d506bfc667d873a18cdd760f14 [0,0,0,0,0,1|0,1,0]=2 1044 B18R3.36498 c1cc(c2occc2c1)CNC[C@@H]3CCO3 f7ba077fb43f59086da6dc4b35a01217 [0,0,0,0,0,1|0,1,0]=2 1045 B18R3.36498 c1cc(c2occc2c1)CNC[C@H]3CCO3 beb0393cee2c08b6fb7e92dd48707e03 [0,0,0,0,0,1|0,1,0]=2 1046 B18R3.36498 c1cc(c2occc2c1)COCC3CCC3 754a5ddafca3355ca17968bbbb54d846 [0,0,0,0,0,1|1,1,0]=3 1047 B18R3.36498 c1cc(c2occc2c1)COCC3CCO3 25d771fbf0f8d5116ba80ed82d84590a [0,0,0,0,0,1|1,1,0]=3 1048 B18R3.36498 c1cc(c2occc2c1)COCC3COC3 8fcb356cd13f0e39dff8b87dc9b5bc19 [0,0,0,0,0,1|1,1,0]=3 1049 B18R3.36498 c1cc(c2occc2c1)COC[C@@H]3CCO3 3df6e0bbdda2ea01079139bbd1bd4318 [0,0,0,0,0,1|1,1,0]=3 1050 B18R3.36498 c1cc(c2occc2c1)COC[C@H]3CCO3 f8d214358f61dd4bf18d2dd871bbe93c [0,0,0,0,0,1|1,1,0]=3 1051 B18R3.36498 c1cc(c2occc2c1)NCCC3CCC3 a71d3582a34f22c6c7c82045d1afdede [0,0,0,0,0,1|2,1,0]=4 1052 B18R3.36498 c1cc(c2occc2c1)NCCC3CCO3 d367e4a44f663d8d38cea2e495fefb38 [0,0,0,0,0,1|2,1,0]=4 1053 B18R3.36498 c1cc(c2occc2c1)NCCC3COC3 dc99171c77bcd96e64f5c21a50401500 [0,0,0,0,0,1|2,1,0]=4 1054 B18R3.36498 c1cc(c2occc2c1)OCCC3CCC3 480e839ebe0484218b1078c63dfe705b [0,0,0,0,0,1|2,1,0]=4 1055 B18R3.36498 c1cc(c2occc2c1)OCCC3CCO3 c3d0918ad53bc3785bddb3c9df81d591 [0,0,0,0,0,1|2,1,0]=4 1056 B18R3.36498 c1cc(c2occc2c1)OCCC3COC3 b8a8a0ebb5ee217c5d46f15b1e4b9e64 [0,0,0,0,0,1|2,1,0]=4 1057 B18R3.36498 c1cc(c2ocnc2c1)CNCC3CCC3 1f3cdc55a0d257a7aff2ed6175686bf0 [0,0,0,0,0,1|1,1,0]=3 1058 B18R3.36498 c1cc(c2ocnc2c1)CNCC3CCO3 d09f6e9ea58bf5968d2481a3657f284d [0,0,0,0,0,1|1,1,0]=3 1059 B18R3.36498 c1cc(c2ocnc2c1)CNCC3COC3 1dd762f40bdb4b4eae970b0ed410e839 [0,0,0,0,0,1|1,1,0]=3 1060 B18R3.36498 c1cc(c2ocnc2c1)CNC[C@@H]3CCO3 edc098cb01d02151fc8611219176c9ba [0,0,0,0,0,1|1,1,0]=3 1061 B18R3.36498 c1cc(c2ocnc2c1)CNC[C@H]3CCO3 a175610b41c61984cae55c96b2d9636b [0,0,0,0,0,1|1,1,0]=3 1062 B18R3.36498 c1cc(c2ocnc2c1)COCC3CCC3 cf6e0004bee2e71a81b58ff2be4ff69e [0,0,0,0,0,1|2,1,0]=4 1063 B18R3.36498 c1cc(c2ocnc2c1)COCC3CCO3 68c26a8ff4fcc3194ced9ea39e399efc [0,0,0,0,0,1|2,1,0]=4 1064 B18R3.36498 c1cc(c2ocnc2c1)COCC3COC3 1e03156629662d43f7e9b0ef5ae8678b [0,0,0,0,0,1|2,1,0]=4 1065 B18R3.36498 c1cc(c2ocnc2c1)COCC3CSC3 6bde33eacca5f11ab87cdea5dbe1c74a [0,0,0,0,0,1|2,1,0]=4 1066 B18R3.36498 c1cc(c2ocnc2c1)COC[C@@H]3CCO3 aec7a010458171becf86f6b5dd409be8 [0,0,0,0,0,1|2,1,0]=4 1067 B18R3.36498 c1cc(c2ocnc2c1)COC[C@H]3CCO3 d1bdc7f8e6b097990c167ca26a05cbc4 [0,0,0,0,0,1|2,1,0]=4 1068 B18R3.36498 c1cc(c2sccc2c1)CNCC3CCC3 f66cecd3319f36d7642ad8f0dc32f864 [0,0,0,0,0,1|0,0,0]=1 1069 B18R3.36498 c1cc(c2sccc2c1)CNCC3CCO3 231a42b011e2cf7dbecf0609e08ac56c [0,0,0,0,0,1|0,0,0]=1 1070 B18R3.36498 c1cc(c2sccc2c1)CNCC3COC3 c73baf93be008a9b47738822a8f2cd28 [0,0,0,0,0,1|0,0,0]=1 1071 B18R3.36498 c1cc(c2sccc2c1)CNC[C@@H]3CCO3 7f8891ea795556c632f5805036936bcc [0,0,0,0,0,1|0,0,0]=1 1072 B18R3.36498 c1cc(c2sccc2c1)CNC[C@H]3CCO3 32e4001598875ca456aba9fdde8b055f [0,0,0,0,0,1|0,0,0]=1 1073 B18R3.36498 c1cc(c2sccc2c1)COCC3CCC3 acc7fcb6f5409064210b6558ba4c217b [0,0,0,0,0,1|1,0,0]=2 1074 B18R3.36498 c1cc(c2sccc2c1)COCC3CCO3 9d02718b8ebdd3e058bb1dbbb2d64a97 [0,0,0,0,0,1|1,0,0]=2 1075 B18R3.36498 c1cc(c2sccc2c1)COCC3COC3 047ece85e3e495cf86545eaf45803983 [0,0,0,0,0,1|1,0,0]=2 1076 B18R3.36498 c1cc(c2sccc2c1)COCC3CSC3 ce468cbc1dffec4154d2e5d0d8884d84 [0,0,0,0,0,1|1,0,0]=2 1077 B18R3.36498 c1cc(c2sccc2c1)COC[C@@H]3CCO3 3702255c2c92734f8e8fd357f3757f50 [0,0,0,0,0,1|1,0,0]=2 1078 B18R3.36498 c1cc(c2sccc2c1)COC[C@H]3CCO3 e3bf77d9dee0077ce2d0e32d72ccb85f [0,0,0,0,0,1|1,0,0]=2 1079 B18R3.36498 c1cc(c2sccc2c1)NCCC3CCO3 ecd2f41e129d464364c6df8e651f3890 [0,0,0,0,0,1|2,0,0]=3 1080 B18R3.36498 c1cc(c2sccc2c1)NCC[C@@H]3CCO3 be6afad90a3479952e40844d212c42b0 [0,0,0,0,0,1|2,0,0]=3 1081 B18R3.36498 c1cc(c2sccc2c1)OCCC3CCC3 abfb777bb01717bb9e0ca7a51cf012cd [0,0,0,0,0,1|2,0,0]=3 1082 B18R3.36498 c1cc(c2sccc2c1)OCCC3CCO3 187a57accbb1a2027946b23b6be332ea [0,0,0,0,0,1|2,0,0]=3 1083 B18R3.36498 c1cc(c2sccc2c1)OCCC3COC3 bbfe2af083017c147922babf9d2d4212 [0,0,0,0,0,1|2,0,0]=3 1084 B18R3.36498 c1cc(c2sccc2n1)NCCC3CCC3 15fdf518f4dc313c017b3bf8cc1696d7 [0,0,0,0,0,1|3,0,0]=4 1085 B18R3.36498 c1cc(c2sccc2n1)NCCC3CCO3 5a32b81b812c5055179546581a5f4d8b [0,0,0,0,0,1|3,0,0]=4 1086 B18R3.36498 c1cc(c2sccc2n1)NCCC3COC3 062fd4fe94486343e859e53e612e9a07 [0,0,0,0,0,1|3,0,0]=4 1087 B18R3.36498 c1cc(c2sccc2n1)NCC[C@@H]3CCO3 4098ecb654bf5f38cde5c13a7209756e [0,0,0,0,0,1|3,0,0]=4 1088 B18R3.36498 c1cc(c2sccc2n1)OCCC3CCC3 eaadee30f1e21969b41e2ccde464de74 [0,0,0,0,0,1|3,0,0]=4 1089 B18R3.36498 c1cc(c2sccc2n1)OCCC3CCO3 510ece6e650980248676c9cde7429b34 [0,0,0,0,0,1|3,0,0]=4 1090 B18R3.36498 c1cc(c2sccc2n1)OCCC3COC3 3088257221d2e1c990d8781860a23040 [0,0,0,0,0,1|3,0,0]=4 1091 B18R3.36498 c1cc(c2scnc2c1)CNCC3CCC3 657b8d5f0099b76bbea5583fb94e8e8b [0,0,0,0,0,1|1,0,0]=2 1092 B18R3.36498 c1cc(c2scnc2c1)CNCC3CCO3 9caacddd09ad8a0fe5382bc337d31919 [0,0,0,0,0,1|1,0,0]=2 1093 B18R3.36498 c1cc(c2scnc2c1)CNCC3COC3 2653a9089dc14ca20aca61c9e8a94cb0 [0,0,0,0,0,1|1,0,0]=2 1094 B18R3.36498 c1cc(c2scnc2c1)CNC[C@@H]3CCO3 169348224f13b9a16678149413f85299 [0,0,0,0,0,1|1,0,0]=2 1095 B18R3.36498 c1cc(c2scnc2c1)CNC[C@H]3CCO3 ac78260a31ab0b9362c90370505d9ce0 [0,0,0,0,0,1|1,0,0]=2 1096 B18R3.36498 c1cc(c2scnc2c1)COCC3CCC3 5aa8996c59ee260ff694d54c37daff84 [0,0,0,0,0,1|2,0,0]=3 1097 B18R3.36498 c1cc(c2scnc2c1)COCC3CCO3 384e6e9b764b4f3cf8e843d8b84b4fec [0,0,0,0,0,1|2,0,0]=3 1098 B18R3.36498 c1cc(c2scnc2c1)COCC3COC3 ba90562b9f389c77891fae4efa13177a [0,0,0,0,0,1|2,0,0]=3 1099 B18R3.36498 c1cc(c2scnc2c1)COC[C@@H]3CCO3 b9593f5ec6cab627ac2e27e64575a9c8 [0,0,0,0,0,1|2,0,0]=3 1100 B18R3.36498 c1cc(c2scnc2c1)COC[C@H]3CCO3 63a490cee6defd37e3a34567b011c230 [0,0,0,0,0,1|2,0,0]=3 1101 B18R3.36498 c1cc(c2scnc2c1)NCCC3CCC3 9f93d6e5da0dfaeae128348ca795866e [0,0,0,0,0,1|3,0,0]=4 1102 B18R3.36498 c1cc(c2scnc2c1)NCCC3CCO3 0cca0742ecdac2f88f7f90251db20f6c [0,0,0,0,0,1|3,0,0]=4 1103 B18R3.36498 c1cc(c2scnc2c1)NCCC3COC3 eeec93f25d064cba5cb24d7193eea8f4 [0,0,0,0,0,1|3,0,0]=4 1104 B18R3.36498 c1cc(c2scnc2c1)OCCC3CCC3 82ea0796e4cbb35a3103ed9f6e5d73ac [0,0,0,0,0,1|3,0,0]=4 1105 B18R3.36498 c1cc(c2scnc2c1)OCCC3CCO3 a34019b2f31bdefb215a76e524a4e6fc [0,0,0,0,0,1|3,0,0]=4 1106 B18R3.36498 c1cc(c2scnc2c1)OCCC3COC3 16e917c992fbf429ea19401fb8c6eb40 [0,0,0,0,0,1|3,0,0]=4 1107 B18R3.36498 c1cc(c2sncc2c1)NCCC3CCC3 4ad6284582319c9782b0d3d0f497aa29 [0,0,0,0,0,1|3,0,0]=4 1108 B18R3.36498 c1cc(c2sncc2c1)NCCC3CCO3 07cf315432afe989596e0ea68de4a892 [0,0,0,0,0,1|3,0,0]=4 1109 B18R3.36498 c1cc(c2sncc2c1)NCCC3COC3 ad3c6984c677f6c1d74370e8ecb684be [0,0,0,0,0,1|3,0,0]=4 1110 B18R3.36498 c1cc(c2sncc2c1)NCC[C@@H]3CCO3 a2f5d5b6bd6b6c2be214912d644d3f37 [0,0,0,0,0,1|3,0,0]=4 1111 B18R3.36498 c1cc(n2nccc2c1)CNCC3CCC3 3d0e46072147ac2fc4ef199c4e033907 [0,0,0,0,0,1|2,0,0]=3 1112 B18R3.36498 c1cc(n2nccc2c1)CNCC3CCO3 4c21c1227dad3c725bd29c20773ca6c5 [0,0,0,0,0,1|2,0,0]=3 1113 B18R3.36498 c1cc(n2nccc2c1)CNCC3COC3 1b3904abec5ec1e71fb9b19aca0a005a [0,0,0,0,0,1|2,0,0]=3 1114 B18R3.36498 c1cc(n2nccc2c1)CNC[C@@H]3CCO3 8f38c8a09a7db54daad919bec3b747fd [0,0,0,0,0,1|2,0,0]=3 1115 B18R3.36498 c1cc(n2nccc2c1)CNC[C@H]3CCO3 feb92aa9d928b33753fc4ac0ac53e413 [0,0,0,0,0,1|2,0,0]=3 1116 B18R3.36498 c1cc(n2nccc2c1)COCC3CCC3 e673f2f7eb47ddd640bcdb235c31faa4 [0,0,0,0,0,1|3,0,0]=4 1117 B18R3.36498 c1cc(n2nccc2c1)COCC3CCO3 641884a8deb98bba9d521d269d7770ed [0,0,0,0,0,1|3,0,0]=4 1118 B18R3.36498 c1cc(n2nccc2c1)COCC3COC3 2902738850bf69de24d17796ce876fb2 [0,0,0,0,0,1|3,0,0]=4 1119 B18R3.36498 c1cc(n2nccc2c1)COCC3CSC3 b90094f0799d3514875abafa4f9f9447 [0,0,0,0,0,1|3,0,0]=4 1120 B18R3.36498 c1cc(n2nccc2c1)COC[C@@H]3CCO3 a8de0c0161bec0ccd9bd2f0b77bb9ce2 [0,0,0,0,0,1|3,0,0]=4 1121 B18R3.36498 c1cc(n2nccc2c1)COC[C@H]3CCO3 9650e399c55fd7c0585bd41616737831 [0,0,0,0,0,1|3,0,0]=4 1122 B18R3.36498 c1cc(n2ncnc2c1)CNCC3CCC3 4f2883168189df791146582ca67d0784 [0,0,0,0,0,1|3,0,0]=4 1123 B18R3.36498 c1cc(n2ncnc2c1)CNCC3CCO3 c0bb5074efe2979b00edf588ec1d66e2 [0,0,0,0,0,1|3,0,0]=4 1124 B18R3.36498 c1cc(n2ncnc2c1)CNCC3COC3 548a3f19c02618577bd21444093ff390 [0,0,0,0,0,1|3,0,0]=4 1125 B18R3.36498 c1cc(n2ncnc2c1)CNC[C@@H]3CCO3 8c08b9ec0471260bafabf5c8e001c9d7 [0,0,0,0,0,1|3,0,0]=4 1126 B18R3.36498 c1cc(n2ncnc2c1)CNC[C@H]3CCO3 cf6d658603343d3518059a4a9d80d989 [0,0,0,0,0,1|3,0,0]=4 1127 B18R3.36498 c1cc2[nH]ccc2c(n1)CNCC3CCC3 06a6daed50407f51f2291ac18106d068 [0,0,0,0,0,1|3,0,0]=4 1128 B18R3.36498 c1cc2[nH]ccc2c(n1)CNCC3CCO3 d08cf22bd63b39332db8d5ff870773a5 [0,0,0,0,0,1|3,0,0]=4 1129 B18R3.36498 c1cc2[nH]ccc2c(n1)CNCC3COC3 70a58c12289dc7f22036ea4563088f53 [0,0,0,0,0,1|3,0,0]=4 1130 B18R3.36498 c1cc2[nH]ccc2c(n1)CNC[C@@H]3CCO3 fcb534747687d4bf115fc8bcaf7e5b0f [0,0,0,0,0,1|3,0,0]=4 1131 B18R3.36498 c1cc2[nH]ccc2c(n1)CNC[C@H]3CCO3 abc0cd22878fc983df3f388eaa9e737b [0,0,0,0,0,1|3,0,0]=4 1132 B18R3.36498 c1cc2[nH]cnc2c(n1)CNCC3CCC3 d291cbb65b6f5006bf90b330c7ca6692 [0,0,0,0,0,1|3,0,0]=4 1133 B18R3.36498 c1cc2[nH]cnc2c(n1)CNCC3CCO3 833c2ebd856dd970e6ee59e28d824817 [0,0,0,0,0,1|3,0,0]=4 1134 B18R3.36498 c1cc2[nH]cnc2c(n1)CNCC3COC3 af77ad22638f19fb6ff5a29245288bd6 [0,0,0,0,0,1|3,0,0]=4 1135 B18R3.36498 c1cc2[nH]cnc2c(n1)CNC[C@@H]3CCO3 d491c51d496e8edbb7ea34e79cfa5583 [0,0,0,0,0,1|3,0,0]=4 1136 B18R3.36498 c1cc2[nH]cnc2c(n1)CNC[C@H]3CCO3 6fd9472d58b5251c36b354dbe8478a6d [0,0,0,0,0,1|3,0,0]=4 1137 B18R3.36498 c1cc2cc[nH]c2c(n1)COCC3CCC3 203e3f2911aa25fab7e69ffaecd5ce83 [0,0,0,0,0,1|3,0,0]=4 1138 B18R3.36498 c1cc2cc[nH]c2c(n1)COCC3CCO3 de285a90071b35dbf000ca59047781e4 [0,0,0,0,0,1|3,0,0]=4 1139 B18R3.36498 c1cc2cc[nH]c2c(n1)COCC3COC3 68270ce9aff4c8d11c672aeec7ce9f92 [0,0,0,0,0,1|3,0,0]=4 1140 B18R3.36498 c1cc2cc[nH]c2c(n1)COC[C@@H]3CCO3 b9bb410cd475c96d12c1c13416e4c7be [0,0,0,0,0,1|3,0,0]=4 1141 B18R3.36498 c1cc2cc[nH]c2c(n1)COC[C@H]3CCO3 e0c6d508f6acc94805040b046f354445 [0,0,0,0,0,1|3,0,0]=4 1142 B18R3.36498 c1cc2ccsc2c(n1)NCCC3CCC3 43e06a5cacbef967022f1d5e5610ec97 [0,0,0,0,0,1|3,0,0]=4 1143 B18R3.36498 c1cc2ccsc2c(n1)NCCC3CCO3 fd4d829ddd74ed3b2066b78e3cfd4a8c [0,0,0,0,0,1|3,0,0]=4 1144 B18R3.36498 c1cc2ccsc2c(n1)NCCC3COC3 06029cefb358f292d524d3f406c48be9 [0,0,0,0,0,1|3,0,0]=4 1145 B18R3.36498 c1cc2ccsc2c(n1)NCC[C@@H]3CCO3 75a9901a15160890a53449eac2b8252e [0,0,0,0,0,1|3,0,0]=4 1146 B18R3.36498 c1cc2cncc(c2[nH]1)COCC3CCC3 3d24d7518062c284a88f82001af9d400 [0,0,0,0,0,1|3,0,0]=4 1147 B18R3.36498 c1cc2cncc(c2[nH]1)COCC3CCO3 172706c81511d3c9057e0a89b2d91ac2 [0,0,0,0,0,1|3,0,0]=4 1148 B18R3.36498 c1cc2cncc(c2[nH]1)COCC3COC3 4616a4e01a80f62275033a257db837f5 [0,0,0,0,0,1|3,0,0]=4 1149 B18R3.36498 c1cc2cncc(c2[nH]1)COC[C@@H]3CCO3 27051cb1ae9ab440a1b81affe96334f4 [0,0,0,0,0,1|3,0,0]=4 1150 B18R3.36498 c1cc2cncc(c2[nH]1)COC[C@H]3CCO3 17a285858d1d1323871159ad125372ba [0,0,0,0,0,1|3,0,0]=4 1151 B18R3.36498 c1nc2c(cncc2[nH]1)CNCC3CCC3 32dcf59e5dbb4e8fa563937a7f01dbf1 [0,0,0,0,0,1|3,0,0]=4 1152 B18R3.36498 c1nc2c(cncc2[nH]1)CNCC3CCO3 f123d0388d725331739d0817507ca044 [0,0,0,0,0,1|3,0,0]=4 1153 B18R3.36498 c1nc2c(cncc2[nH]1)CNCC3COC3 33d1b4144e490877906f1f39b59830f8 [0,0,0,0,0,1|3,0,0]=4 1154 B18R3.36498 c1nc2c(cncc2[nH]1)CNC[C@@H]3CCO3 fafe057e0c6c59267469433a9c328c12 [0,0,0,0,0,1|3,0,0]=4 1155 B18R3.36498 c1nc2c(cncc2[nH]1)CNC[C@H]3CCO3 00d9bb19179abda6263be8e39356d759 [0,0,0,0,0,1|3,0,0]=4 1156 B18R3.238573 C1=Cc2cccc(c2C1)NCCOC3CC3 f0659310579f48b8c5e7befa6b47b206 [0,0,0,0,0,1|3,0,0]=4 1157 B18R3.238573 c1cc(c2[nH]ccc2c1)CCCNC3CC3 33f5a569181f82b2f6d576cc88ff6116 [0,0,0,0,0,1|2,0,0]=3 1158 B18R3.238573 c1cc(c2[nH]ccc2c1)CNCCC3CC3 fd46705b1c6ed1874c59a80309558de8 [0,0,0,0,0,1|1,0,0]=2 1159 B18R3.238573 c1cc(c2[nH]ccc2c1)COCCC3CC3 7cce697d1ed1bae4ea0b307904099a22 [0,0,0,0,0,1|2,0,0]=3 1160 B18R3.238573 c1cc(c2[nH]ccc2c1)NCCOC3CC3 8214297648010f817510dfc08e175f6e [0,0,0,0,0,1|3,0,0]=4 1161 B18R3.238573 c1cc(c2[nH]ccc2c1)OCCOC3CC3 6be501d598fe603b65a5fd32bfc977ec [0,0,0,0,0,1|3,0,0]=4 1162 B18R3.238573 c1cc(c2[nH]ncc2c1)CNCCC3CC3 8e783073261fa4b2b6eaf921638ed15d [0,0,0,0,0,1|2,0,0]=3 1163 B18R3.238573 c1cc(c2[nH]ncc2c1)CNCCN3CC3 a3fd0ba77fe58043524ce585ef0bf51d [0,0,0,0,0,1|3,0,0]=4 1164 B18R3.238573 c1cc(c2[nH]ncc2c1)COCCC3CC3 698f94f6ddaca9746637fbe00c8c4af0 [0,0,0,0,0,1|3,0,0]=4 1165 B18R3.238573 c1cc(c2c(c1)OCC2)CNCCC3CC3 cd76897641081da9f9ec8e2aa7217c68 [0,0,0,0,0,1|2,0,1]=4 1166 B18R3.238573 c1cc(c2cc[nH]c2c1)CCNCC3CC3 93dda4cafba390f5696a2953dd4d3e97 [0,0,0,0,0,1|2,0,0]=3 1167 B18R3.238573 c1cc(c2cc[nH]c2c1)CNCCC3CC3 3fb717d09cadc41f21ac65bc2ded0e96 [0,0,0,0,0,1|2,0,0]=3 1168 B18R3.238573 c1cc(c2cc[nH]c2c1)COCCC3CC3 620cfe22b23d4e2171e65e2f35db49e7 [0,0,0,0,0,1|3,0,0]=4 1169 B18R3.238573 c1cc(c2cc[nH]c2n1)CNCCC3CC3 1c19f65aee56c589a01b1d45a24e3e58 [0,0,0,0,0,1|3,0,0]=4 1170 B18R3.238573 c1cc(c2ccnn2c1)CNCCC3CC3 bf110b7cb3ec56297c92cc4705c2363b [0,0,0,0,0,1|3,0,0]=4 1171 B18R3.238573 c1cc(c2ccsc2c1)CNCCC3CC3 2c9ce476530494cebaa2a1acb776ec56 [0,0,0,0,0,1|2,0,0]=3 1172 B18R3.238573 c1cc(c2ccsc2c1)CNCCN3CC3 b26208e34a72f4f10c001c4943aa3826 [0,0,0,0,0,1|3,0,0]=4 1173 B18R3.238573 c1cc(c2ccsc2c1)COCCC3CC3 544c5b87b4ccbfc7cc51c768444f7570 [0,0,0,0,0,1|3,0,0]=4 1174 B18R3.238573 c1cc(c2cn[nH]c2c1)CNCCC3CC3 63d4a03855fa47ff0a29bfabd7e85da9 [0,0,0,0,0,1|3,0,0]=4 1175 B18R3.238573 c1cc(c2nc[nH]c2c1)COCCC3CC3 4120d05cb0faa2af53b84f0e3ae1cb74 [0,0,0,0,0,1|3,0,0]=4 1176 B18R3.238573 c1cc(c2nc[nH]c2n1)CNCCC3CC3 80db4f5b10d385edd948c79cf56c343f [0,0,0,0,0,1|3,0,0]=4 1177 B18R3.238573 c1cc(c2nccn2c1)CNCCC3CC3 3321325e2805eadc01c0c8f04987505a [0,0,0,0,0,1|2,0,0]=3 1178 B18R3.238573 c1cc(c2nccn2c1)COCCC3CC3 2bedac6ca0635c6ee7eb7f14a0ca0f7b [0,0,0,0,0,1|3,0,0]=4 1179 B18R3.238573 c1cc(c2ncoc2c1)CNCCC3CC3 f3748b1f3a828870e0e5d0871ba4a11d [0,0,0,0,0,1|2,0,0]=3 1180 B18R3.238573 c1cc(c2ncoc2c1)CNCCN3CC3 54d827b8adf8e6792cc0e34afef12d7a [0,0,0,0,0,1|3,0,0]=4 1181 B18R3.238573 c1cc(c2ncoc2c1)COCCC3CC3 158edbb76052f8a9dfa392f68adce57f [0,0,0,0,0,1|3,0,0]=4 1182 B18R3.238573 c1cc(c2ncsc2c1)CNCCC3CC3 988d8083b260eaded15d034838940984 [0,0,0,0,0,1|2,0,0]=3 1183 B18R3.238573 c1cc(c2ncsc2c1)CNCCN3CC3 e71632a5b4b3a4398029189cafd73dde [0,0,0,0,0,1|3,0,0]=4 1184 B18R3.238573 c1cc(c2ncsc2c1)COCCC3CC3 df35df9d862aba68f5d34c88b5001c1c [0,0,0,0,0,1|3,0,0]=4 1185 B18R3.238573 c1cc(c2nonc2c1)CNCCC3CC3 fa8aee10c24bb7ae09186af0c245a938 [0,0,0,0,0,1|3,0,0]=4 1186 B18R3.238573 c1cc(c2nsnc2c1)CNCCC3CC3 3cc315fdc681b46caa6d3cdd3cedf640 [0,0,0,0,0,1|3,0,0]=4 1187 B18R3.238573 c1cc(c2occc2c1)CNCCC3CC3 704d4e2b8635f8b8491362c405f4340c [0,0,0,0,0,1|0,1,0]=2 1188 B18R3.238573 c1cc(c2occc2c1)COCCC3CC3 041e765ff4e82ec015d334c766d5ba06 [0,0,0,0,0,1|1,1,0]=3 1189 B18R3.238573 c1cc(c2occc2c1)NCCOC3CC3 8dd820656f5284654fe6e15de72a35ac [0,0,0,0,0,1|2,1,0]=4 1190 B18R3.238573 c1cc(c2occc2c1)OCCOC3CC3 5767ce2e6f642223538495b04a45c79b [0,0,0,0,0,1|2,1,0]=4 1191 B18R3.238573 c1cc(c2ocnc2c1)CNCCC3CC3 ae48f3876b79692a542c01a577d82497 [0,0,0,0,0,1|1,1,0]=3 1192 B18R3.238573 c1cc(c2ocnc2c1)CNCCN3CC3 36e7a2c5ad4804533adebe61cf180651 [0,0,0,0,0,1|2,1,0]=4 1193 B18R3.238573 c1cc(c2ocnc2c1)COCCC3CC3 45de7608b8aef20c1da9df3bfc21d5e9 [0,0,0,0,0,1|2,1,0]=4 1194 B18R3.238573 c1cc(c2sccc2c1)CNCCC3CC3 d2907cdea7fc99ba90f4d3ea2169d5f0 [0,0,0,0,0,1|0,0,0]=1 1195 B18R3.238573 c1cc(c2sccc2c1)CNCCN3CC3 a65244fab2572ff49d977df51c4e6ad9 [0,0,0,0,0,1|1,0,0]=2 1196 B18R3.238573 c1cc(c2sccc2c1)COCCC3CC3 b605211c6499c2b62447790a45aefc05 [0,0,0,0,0,1|1,0,0]=2 1197 B18R3.238573 c1cc(c2sccc2c1)COCCN3CC3 43aef7d4907e50337a22c8521f9620e2 [0,0,0,0,0,1|2,0,0]=3 1198 B18R3.238573 c1cc(c2sccc2c1)NCCOC3CC3 9170269730040752b5d59b5b0dee2eda [0,0,0,0,0,1|2,0,0]=3 1199 B18R3.238573 c1cc(c2sccc2c1)OCCOC3CC3 b07ed503169b508f60f04fe4155cd14a [0,0,0,0,0,1|2,0,0]=3 1200 B18R3.238573 c1cc(c2sccc2n1)NCCOC3CC3 4723f6620fc602181b30c5b36ee47d61 [0,0,0,0,0,1|3,0,0]=4 1201 B18R3.238573 c1cc(c2sccc2n1)OCCOC3CC3 3f05e346e7df4a2866c37fc9fc7bb9f0 [0,0,0,0,0,1|3,0,0]=4 1202 B18R3.238573 c1cc(c2scnc2c1)CNCCC3CC3 8aaa4c90cc0b3137888d20bf9b3d9c10 [0,0,0,0,0,1|1,0,0]=2 1203 B18R3.238573 c1cc(c2scnc2c1)CNCCN3CC3 130fd88756946c9e541e64c6071a8aa6 [0,0,0,0,0,1|2,0,0]=3 1204 B18R3.238573 c1cc(c2scnc2c1)COCCC3CC3 d5ccb23bf1d19c906226e26346c669fb [0,0,0,0,0,1|2,0,0]=3 1205 B18R3.238573 c1cc(c2scnc2c1)COCCN3CC3 363d3a83f4593f322ad539902c4e2e01 [0,0,0,0,0,1|3,0,0]=4 1206 B18R3.238573 c1cc(c2scnc2c1)NCCOC3CC3 d32cf260102b6e495d88e5e26387c98a [0,0,0,0,0,1|3,0,0]=4 1207 B18R3.238573 c1cc(c2scnc2c1)OCCOC3CC3 e651a7ed59158bd7075270cf4ab69c9f [0,0,0,0,0,1|3,0,0]=4 1208 B18R3.238573 c1cc(c2sncc2c1)NCCOC3CC3 d81c3f0394d55c692872cfb02b2a5a67 [0,0,0,0,0,1|3,0,0]=4 1209 B18R3.238573 c1cc(n2nccc2c1)CNCCC3CC3 268d15020488b3d6d3946c621112268b [0,0,0,0,0,1|2,0,0]=3 1210 B18R3.238573 c1cc(n2nccc2c1)CNCCN3CC3 b6b896709c3675280717414892f8f2f1 [0,0,0,0,0,1|3,0,0]=4 1211 B18R3.238573 c1cc(n2nccc2c1)COCCC3CC3 4f8efb45c7f177f7226828e697bf8ca7 [0,0,0,0,0,1|3,0,0]=4 1212 B18R3.238573 c1cc(n2ncnc2c1)CNCCC3CC3 d6ac399655e7b1f6f3023b5755a4368c [0,0,0,0,0,1|3,0,0]=4 1213 B18R3.238573 c1cc2[nH]ccc2c(n1)CNCCC3CC3 2a69e91ba22728e261973d0e3fd4f151 [0,0,0,0,0,1|3,0,0]=4 1214 B18R3.238573 c1cc2[nH]cnc2c(n1)CNCCC3CC3 9d39d0c149a0da2db85ecc1d1871460d [0,0,0,0,0,1|3,0,0]=4 1215 B18R3.238573 c1cc2cc[nH]c2c(n1)COCCC3CC3 62f8f73e8ce9a73eaf9e6f2525df70ef [0,0,0,0,0,1|3,0,0]=4 1216 B18R3.238573 c1cc2ccsc2c(n1)NCCOC3CC3 7dff0a174bae553c34ca9872d771bc58 [0,0,0,0,0,1|3,0,0]=4 1217 B18R3.238573 c1cc2cncc(c2[nH]1)COCCC3CC3 03f227aba59e1f608b234fefd3399401 [0,0,0,0,0,1|3,0,0]=4 1218 B18R3.238573 c1nc2c(cncc2[nH]1)CNCCC3CC3 9ac1316ccc5ca1c4678372dab8c1afcd [0,0,0,0,0,1|3,0,0]=4 1219 B15R2.4931 C=Cc1ccccc1CNCC2CC2 5d8c4e14538d1d832afb12e10ae3c5f4 [1,0,1,0,0,0|0,0,0]=2 1220 B15R2.4931 C=Cc1ccccc1COCC2CC2 704ad0e64fc70a1e9f202957f27cd2cc [1,0,1,0,0,0|1,0,0]=3 1221 B15R2.4931 C=Cc1ccccc1NCCC2CC2 ad6e8a898e60197bbb25c115e185cc23 [1,0,1,0,0,0|2,0,0]=4 1222 B15R2.4931 C=Cc1ccccc1OCCC2CC2 b553137790b0aa18ec67048c64e23a7f [1,0,1,0,0,0|2,0,0]=4 1223 B15R2.4931 CCc1ccccc1CNCC2CC2 e9666638166ab5c644631affabba9a2f [1,0,1,0,0,0|0,0,2]=4 1224 B15R2.4931 COc1ccccc1CNCC2CC2 088a91313b81088da004418608413827 [1,0,1,0,0,0|0,1,1]=4 1225 B15R2.4931 CSc1ccccc1CNCC2CC2 e36820c373fd71c271530709ceb8b78a [1,0,1,0,0,0|0,0,1]=3 1226 B15R2.4931 CSc1ccccc1COCC2CC2 86952fb218e7a5a0f7f882781d26e758 [1,0,1,0,0,0|1,0,1]=4 1227 B15R2.4931 N#Cc1ccccc1CNCC2CC2 6c9b21722c2b22ccb7bf123e0e512b54 [1,0,1,0,0,0|1,0,1]=4 1228 B15R2.4931 O=Cc1ccccc1CNCC2CC2 6efc390def4b806390b1a0dda2262044 [1,0,1,0,0,0|1,0,0]=3 1229 B15R2.4931 O=Cc1ccccc1COCC2CC2 b8293e8263c6172230d2e49301608a3e [1,0,1,0,0,0|2,0,0]=4 1230 B15R2.4931 OCc1ccccc1CNCC2CC2 70cfb07a975865773bf46a4c0364dfc3 [1,0,1,0,0,0|1,0,1]=4 1231 B15R2.7158 Brc1c(cccc1CNCC2CC2)I 2170a3688f113acf45189467dedbba32 [1,0,1,0,0,0|2,0,0]=4 1232 B15R2.7158 Brc1cccc(c1Br)CNCC2CC2 80f8199b484bcad50a30cc319334fe7e [1,0,1,0,0,0|2,0,0]=4 1233 B15R2.7158 Brc1cccc(c1I)CNCC2CC2 e7527730fb530cd30e50eecca7f82454 [1,0,1,0,0,0|2,0,0]=4 1234 B15R2.7158 Cc1c(cccc1CNCC2CC2)Br 67629a9111d83dacbc5e41daa21a15d4 [1,0,1,0,0,0|1,0,1]=4 1235 B15R2.7158 Cc1c(cccc1CNCC2CC2)Cl 0e1584de756ad61a586d4fa788f81a20 [1,0,1,0,0,0|1,0,1]=4 1236 B15R2.7158 Cc1c(cccc1CNCC2CC2)F 4c9538879332f7238297b4cb4178ff44 [1,0,1,0,0,0|1,0,1]=4 1237 B15R2.7158 Cc1c(cccc1CNCC2CC2)I 27d15d162dc4c0ad6f89576bca65ec69 [1,0,1,0,0,0|1,0,1]=4 1238 B15R2.7158 Cc1cccc(c1Br)CNCC2CC2 72bac2a803dcae1872d35abb868075f0 [1,0,1,0,0,0|1,0,1]=4 1239 B15R2.7158 Cc1cccc(c1C)CNCC2CC2 e1d0e35c1faeb174dd4565fe6e7bb488 [1,0,1,0,0,0|0,0,2]=4 1240 B15R2.7158 Cc1cccc(c1Cl)CNCC2CC2 df2766d87b6b134c630463dbc8b4021e [1,0,1,0,0,0|1,0,1]=4 1241 B15R2.7158 Cc1cccc(c1F)CNCC2CC2 64f25cc48c9bf3db82d919dea4473217 [1,0,1,0,0,0|1,0,1]=4 1242 B15R2.7158 Clc1c(cccc1CNCC2CC2)Br c5f1c78e59f35a2832263f111f7f2583 [1,0,1,0,0,0|2,0,0]=4 1243 B15R2.7158 Clc1c(cccc1CNCC2CC2)I f86904b9f621209e89a989861042c2e1 [1,0,1,0,0,0|2,0,0]=4 1244 B15R2.7158 Clc1cccc(c1Br)CNCC2CC2 3ebc5770af0a259ffe526a401ca510fb [1,0,1,0,0,0|2,0,0]=4 1245 B15R2.7158 Clc1cccc(c1Cl)CNCC2CC2 461c6c27290f1f78e9ae15a4e15d5ec0 [1,0,1,0,0,0|2,0,0]=4 1246 B15R2.7158 Fc1c(cccc1CNCC2CC2)Br c5614dbd8e4e1d9ab719b9f92b6d2e11 [1,0,1,0,0,0|2,0,0]=4 1247 B15R2.7158 Fc1c(cccc1CNCC2CC2)Cl 8edab159ff054febdccfef01df746947 [1,0,1,0,0,0|2,0,0]=4 1248 B15R2.7158 Fc1c(cccc1CNCC2CC2)I f328de37702d9fff7ad17f4f32c67dab [1,0,1,0,0,0|2,0,0]=4 1249 B15R2.7158 Fc1cccc(c1Br)CNCC2CC2 369a2d663e20150dd1217444164f2683 [1,0,1,0,0,0|2,0,0]=4 1250 B15R2.7158 Fc1cccc(c1Cl)CNCC2CC2 142105e15bd9c54ac481c39d20f875fc [1,0,1,0,0,0|2,0,0]=4 1251 B15R2.7158 Fc1cccc(c1F)CNCC2CC2 98e1157c2774d5c99a9102868c29cde9 [1,0,1,0,0,0|2,0,0]=4 1252 B15R2.7158 Fc1cccc(c1I)CNCC2CC2 aff5bc9ee9db65e1ba3d64b912036327 [1,0,1,0,0,0|2,0,0]=4 1253 B15R2.2488 C#Cc1cccc(c1)CNCC2CC2 9f7f8660198aee9b3e144a36f1079e72 [1,0,1,0,0,0|0,0,2]=4 1254 B15R2.2488 C=Cc1cccc(c1)CNCC2CC2 bc77901dc27e7474ef8109980277c2eb [1,0,1,0,0,0|0,0,0]=2 1255 B15R2.2488 C=Cc1cccc(c1)COCC2CC2 67dd6df590d36643acdf64588e09f6cb [1,0,1,0,0,0|1,0,0]=3 1256 B15R2.2488 C=Cc1cccc(c1)NCCC2CC2 ab20a415ddf19ccc7266695ad9761ef1 [1,0,1,0,0,0|2,0,0]=4 1257 B15R2.2488 C=Cc1cccc(c1)OCCC2CC2 9ff43f4ef78a66bff53b943c1d536661 [1,0,1,0,0,0|2,0,0]=4 1258 B15R2.2488 CCc1cccc(c1)CNCC2CC2 f7e5804fb6d49622b5d10c79f5cb8eb9 [1,0,1,0,0,0|0,0,2]=4 1259 B15R2.2488 COc1cccc(c1)CNCC2CC2 f521c61764b35819d0e61623ff1f73bb [1,0,1,0,0,0|1,0,1]=4 1260 B15R2.2488 CSc1cccc(c1)CNCC2CC2 316b9041479bf22be570b50c81eb9a38 [1,0,1,0,0,0|1,0,1]=4 1261 B15R2.2488 N#Cc1cccc(c1)CNCC2CC2 70dcdb83a16673e62cdbc3b8f4766f89 [1,0,1,0,0,0|1,0,1]=4 1262 B15R2.2488 O=Cc1cccc(c1)CNCC2CC2 35ab79a7d9475b469420ab7774be34ee [1,0,1,0,0,0|0,1,0]=3 1263 B15R2.2488 O=Cc1cccc(c1)COCC2CC2 0a5f0d626ad8437d088eac76b810885d [1,0,1,0,0,0|1,1,0]=4 1264 B15R2.2488 OCc1cccc(c1)CNCC2CC2 48d7bfa4a596f696b3bf1f188bd5cd79 [1,0,1,0,0,0|0,1,1]=4 1265 B15R2.4278 BrCCNCc1cccc2c1scc2 4fbea0fcf77689432560d4431af3ec2f [1,0,1,0,0,0|1,0,0]=3 1266 B15R2.4278 BrCCNCc1cccc2c1scn2 9d98de4f40143458278349d47e9cdf17 [1,0,1,0,0,0|2,0,0]=4 1267 B15R2.4278 C#CCNCc1cccc2c1scc2 8fac05d706e33f93927ac862273ca6bf [1,0,1,0,0,0|0,0,2]=4 1268 B15R2.4278 C=CCCNc1cccc2c1scc2 6cb1e4548a0eade659b739f0e81ad190 [1,0,1,0,0,0|0,0,2]=4 1269 B15R2.4278 C=CCNCc1cccc2c1scc2 921179f78c58bc48c5381b18aeee65e3 [1,0,1,0,0,0|0,0,2]=4 1270 B15R2.4278 CC=CCNc1cccc2c1scc2 8abca83d0f861a7b6d01305ae6fc0b1e [1,0,1,0,0,0|0,0,2]=4 1271 B15R2.4278 CCCCNc1cccc2c1C=CC2 613ac2e2f22cb229420b5f089d6e0118 [1,0,1,0,0,0|1,0,1]=4 1272 B15R2.4278 CCCCNc1cccc2c1[nH]cc2 fe5106f1863586b438147b71fcc3a9a5 [1,0,1,0,0,0|1,0,0]=3 1273 B15R2.4278 CCCCNc1cccc2c1[nH]nc2 b726b26441050847ac253e18089cc31f [1,0,1,0,0,0|2,0,0]=4 1274 B15R2.4278 CCCCNc1cccc2c1cc[nH]2 e32fce43c9737a708d20cf3ea3dff4f5 [1,0,1,0,0,0|2,0,0]=4 1275 B15R2.4278 CCCCNc1cccc2c1cco2 cead482769b70fddb5162c00877955f8 [1,0,1,0,0,0|2,0,0]=4 1276 B15R2.4278 CCCCNc1cccc2c1ccs2 9759481b09ca75542395386255a6c404 [1,0,1,0,0,0|2,0,0]=4 1277 B15R2.4278 CCCCNc1cccc2c1nc[nH]2 2005c3ec6f8e1a15f0199cafcdd8dab9 [1,0,1,0,0,0|2,0,0]=4 1278 B15R2.4278 CCCCNc1cccc2c1nco2 62e19e0f60a7955bc8e1902aad09f6dd [1,0,1,0,0,0|2,0,0]=4 1279 B15R2.4278 CCCCNc1cccc2c1ncs2 0196ee404581c42cf532fa5b35593ec8 [1,0,1,0,0,0|2,0,0]=4 1280 B15R2.4278 CCCCNc1cccc2c1occ2 6b8606ab1b7299bef7b2a003878108c8 [1,0,1,0,0,0|0,1,0]=3 1281 B15R2.4278 CCCCNc1cccc2c1ocn2 08f7a571674cba805e5479c524ad7705 [1,0,1,0,0,0|1,1,0]=4 1282 B15R2.4278 CCCCNc1cccc2c1onc2 097b65ca7114f367f2fb1e52bbe123f3 [1,0,1,0,0,0|1,1,0]=4 1283 B15R2.4278 CCCCNc1cccc2c1scc2 56e7e40b1f610d68c717b662f7c094f1 [1,0,1,0,0,0|0,0,0]=2 1284 B15R2.4278 CCCCNc1cccc2c1scn2 571016aa1c2732468f90c85d58cf066e [1,0,1,0,0,0|1,0,0]=3 1285 B15R2.4278 CCCCNc1cccc2c1snc2 b52859b2f739628acc20c28cf28a4a99 [1,0,1,0,0,0|1,0,0]=3 1286 B15R2.4278 CCCCNc1cccc2c1snn2 9e618c56d101960d0f762c70e0954976 [1,0,1,0,0,0|2,0,0]=4 1287 B15R2.4278 CCCCNc1cccc2n1ncc2 a0478f120536edb87137a69980ea4f11 [1,0,1,0,0,0|2,0,0]=4 1288 B15R2.4278 CCCCNc1cccn2c1ccc2 0a92563d97a67e345ea7eb102f152978 [1,0,1,0,0,0|2,0,0]=4 1289 B15R2.4278 CCCCNc1cccn2c1ncc2 a9deb0ef5e977b57e067b108ee0d3fff [1,0,1,0,0,0|2,0,0]=4 1290 B15R2.4278 CCCCNc1ccnc2c1[nH]cc2 caf3ac1a55ef4cb5479e679893d0cd5f [1,0,1,0,0,0|2,0,0]=4 1291 B15R2.4278 CCCCNc1ccnc2c1occ2 aff9bc21bdb5fa33b60ad8b7bac3ca58 [1,0,1,0,0,0|1,1,0]=4 1292 B15R2.4278 CCCCNc1ccnc2c1scc2 9ef5f78e80706bab21bb2db21e817234 [1,0,1,0,0,0|1,0,0]=3 1293 B15R2.4278 CCCCNc1cncc2c1[nH]cc2 7a1c491c4d777849c737a5999d2947ba [1,0,1,0,0,0|2,0,0]=4 1294 B15R2.4278 CCCCNc1nccc2c1[nH]cc2 c8ffc08c3c3f2647a8615cd99e431e80 [1,0,1,0,0,0|2,0,0]=4 1295 B15R2.4278 CCCCNc1nccc2c1occ2 d76948afcc444c4ae0b35bf892b38c4e [1,0,1,0,0,0|1,1,0]=4 1296 B15R2.4278 CCCCNc1nccc2c1scc2 371a8f4ecc15c3ac17505333f4932ed2 [1,0,1,0,0,0|1,0,0]=3 1297 B15R2.4278 CCCCNc1ncnc2c1scc2 5f1c8b887732766d2accfb1e5ecb0f1c [1,0,1,0,0,0|2,0,0]=4 1298 B15R2.4278 CCCCOc1cccc2c1[nH]cc2 457b205674c976d54e74ee1a5c040eba [1,0,1,0,0,0|2,0,0]=4 1299 B15R2.4278 CCCCOc1cccc2c1occ2 ccf231f82043d955d218c1a275d811c8 [1,0,1,0,0,0|1,1,0]=4 1300 B15R2.4278 CCCCOc1cccc2c1scc2 f505ceb26a89e6520f7e541180bae90c [1,0,1,0,0,0|1,0,0]=3 1301 B15R2.4278 CCCCOc1cccc2c1scn2 682591a3039e298c6900368fd5c4865c [1,0,1,0,0,0|2,0,0]=4 1302 B15R2.4278 CCCCOc1ccnc2c1scc2 633029695a13e5c1e929d2631e4659b6 [1,0,1,0,0,0|2,0,0]=4 1303 B15R2.4278 CCCNCc1cccc2c1[nH]cc2 cd5f171bc97f0292b93a6781f9d8320a [1,0,1,0,0,0|1,0,0]=3 1304 B15R2.4278 CCCNCc1cccc2c1[nH]nc2 3ea17e902c75387f8185f8675b8b38c4 [1,0,1,0,0,0|2,0,0]=4 1305 B15R2.4278 CCCNCc1cccc2c1cc[nH]2 dacdf5531cf227ca559b529dbc49a1f6 [1,0,1,0,0,0|2,0,0]=4 1306 B15R2.4278 CCCNCc1cccc2c1ccs2 f6e0a2ea7171c80c357f878e618cbf35 [1,0,1,0,0,0|2,0,0]=4 1307 B15R2.4278 CCCNCc1cccc2c1nco2 8b7945cc409f8ca690a1dddca1fe6fd6 [1,0,1,0,0,0|2,0,0]=4 1308 B15R2.4278 CCCNCc1cccc2c1ncs2 fd620d1bc9e858c1b35bb5401eecbdbf [1,0,1,0,0,0|2,0,0]=4 1309 B15R2.4278 CCCNCc1cccc2c1occ2 cbdb2354dc8a1b3aa79d19bcba7005e0 [1,0,1,0,0,0|0,1,0]=3 1310 B15R2.4278 CCCNCc1cccc2c1ocn2 4ba8e7152517a6b4bd2a6c75312c5694 [1,0,1,0,0,0|1,1,0]=4 1311 B15R2.4278 CCCNCc1cccc2c1scc2 ea8991dfba606283ea8eb2edaded7487 [1,0,1,0,0,0|0,0,0]=2 1312 B15R2.4278 CCCNCc1cccc2c1scn2 b14f0ece544e398539771444ef0e4cf4 [1,0,1,0,0,0|1,0,0]=3 1313 B15R2.4278 CCCNCc1cccc2n1ncc2 6d8fb2696eae125b57ccd55085784de7 [1,0,1,0,0,0|2,0,0]=4 1314 B15R2.4278 CCCNCc1cccn2c1ncc2 033ba17849c4385ab63a7e9002a1675c [1,0,1,0,0,0|2,0,0]=4 1315 B15R2.4278 CCCOCc1cccc2c1[nH]cc2 6a076a2791a0009fba1d1738c6a0b127 [1,0,1,0,0,0|2,0,0]=4 1316 B15R2.4278 CCCOCc1cccc2c1occ2 79ab83107201ad0ee526eac4c5cc3f5a [1,0,1,0,0,0|1,1,0]=4 1317 B15R2.4278 CCCOCc1cccc2c1scc2 31dc40874386d4ee9f1365760655505f [1,0,1,0,0,0|1,0,0]=3 1318 B15R2.4278 CCCOCc1cccc2c1scn2 90702d222f07683d2d4647168b3884d2 [1,0,1,0,0,0|2,0,0]=4 1319 B15R2.4278 CCOCNc1cccc2c1[nH]cc2 5623841236b83528b21906084c89c030 [1,0,1,0,0,0|2,0,0]=4 1320 B15R2.4278 CCOCNc1cccc2c1scn2 d6c08f4968f30e11e6b7a25d06086536 [1,0,1,0,0,0|2,0,0]=4 1321 B15R2.4278 CCOCNc1cccc2c1snc2 47e9d6ab0365f944ab92eb63ab7603b3 [1,0,1,0,0,0|2,0,0]=4 1322 B15R2.4278 CCOCNc1ccnc2c1scc2 a751a9e02947b56c339691eea830bfb2 [1,0,1,0,0,0|2,0,0]=4 1323 B15R2.4278 CCOCNc1nccc2c1scc2 3701b122fe054fcddf76bff4cb1d9525 [1,0,1,0,0,0|2,0,0]=4 1324 B15R2.4278 CCOCOc1cccc2c1scc2 b8c3d6a1ad66569ad76d0b06439d8e58 [1,0,1,0,0,0|2,0,0]=4 1325 B15R2.4278 COCCNc1cccc2c1CC=C2 264902d071e3b0dfad0ffc9048d70977 [1,0,1,0,0,0|2,0,0]=4 1326 B15R2.4278 COCCNc1cccc2c1[nH]cc2 d509529e22f0edb7e231c75ae4d98647 [1,0,1,0,0,0|2,0,0]=4 1327 B15R2.4278 COCCNc1cccc2c1occ2 f7c42776b74b63574754e8ae4cb8274b [1,0,1,0,0,0|1,1,0]=4 1328 B15R2.4278 COCCNc1cccc2c1scc2 88ca97cf23dde8cb1ce80a0e377cae45 [1,0,1,0,0,0|1,0,0]=3 1329 B15R2.4278 COCCNc1cccc2c1scn2 3338830d8a1487a7737930765f212bce [1,0,1,0,0,0|2,0,0]=4 1330 B15R2.4278 COCCNc1cccc2c1snc2 3d88f6c31f6301bda8820131e61a7267 [1,0,1,0,0,0|2,0,0]=4 1331 B15R2.4278 COCCNc1ccnc2c1scc2 47a181beba43bb20aff71a4b5454ffb8 [1,0,1,0,0,0|2,0,0]=4 1332 B15R2.4278 COCCNc1nccc2c1scc2 1e4a39827d05a8ef5f0fe589c5b5cafb [1,0,1,0,0,0|2,0,0]=4 1333 B15R2.4278 COCCOc1cccc2c1scc2 9734d3da2e9455832b2d5d662c107c67 [1,0,1,0,0,0|2,0,0]=4 1334 B15R2.4278 COCNCc1cccc2c1[nH]cc2 b132af02c001a2e2962ff3d548315abd [1,0,1,0,0,0|2,0,0]=4 1335 B15R2.4278 COCNCc1cccc2c1occ2 afd9a5a2a0904665b961453bb5db50cd [1,0,1,0,0,0|1,1,0]=4 1336 B15R2.4278 COCNCc1cccc2c1scc2 e003964e37d1802b4f0eceedf235974a [1,0,1,0,0,0|1,0,0]=3 1337 B15R2.4278 COCNCc1cccc2c1scn2 bbb5d7ff64e3655b6899a7f8f1d2ba80 [1,0,1,0,0,0|2,0,0]=4 1338 B15R2.4278 COCOCc1cccc2c1scc2 c3a478eed2049914f15db53395f5e667 [1,0,1,0,0,0|2,0,0]=4 1339 B15R2.4278 CSCCNc1cccc2c1[nH]cc2 e671a6ac3471977e845349392f474d8d [1,0,1,0,0,0|2,0,0]=4 1340 B15R2.4278 CSCCNc1cccc2c1occ2 9d243bf77031fe539a251efc8a58ed3f [1,0,1,0,0,0|1,1,0]=4 1341 B15R2.4278 CSCCNc1cccc2c1scc2 605df407ea344fdec1662ed4ab68d266 [1,0,1,0,0,0|1,0,0]=3 1342 B15R2.4278 CSCCNc1cccc2c1scn2 87c9009e540edc402da5e28f026c1529 [1,0,1,0,0,0|2,0,0]=4 1343 B15R2.4278 CSCCNc1cccc2c1snc2 01060e61b86322955494efac2821b020 [1,0,1,0,0,0|2,0,0]=4 1344 B15R2.4278 CSCCNc1ccnc2c1scc2 bf4676a0160571039cc9d9bb105541d2 [1,0,1,0,0,0|2,0,0]=4 1345 B15R2.4278 CSCCNc1nccc2c1scc2 43b5c3717463117b8d87d4e796ad16d4 [1,0,1,0,0,0|2,0,0]=4 1346 B15R2.4278 CSCCOc1cccc2c1scc2 1e2a250b968a8eaf2e9a148a996def84 [1,0,1,0,0,0|2,0,0]=4 1347 B15R2.4278 CSCNCc1cccc2c1[nH]cc2 5ab9f66cb3e5ff57966d92160c940f3c [1,0,1,0,0,0|2,0,0]=4 1348 B15R2.4278 CSCNCc1cccc2c1occ2 36676e57c6466491cce6faf10c197121 [1,0,1,0,0,0|1,1,0]=4 1349 B15R2.4278 CSCNCc1cccc2c1scc2 9dd830690fbe200c4f7a0c4c334b8f9c [1,0,1,0,0,0|1,0,0]=3 1350 B15R2.4278 CSCNCc1cccc2c1scn2 51eddbe15d98cab4eaca5eec725d2e0b [1,0,1,0,0,0|2,0,0]=4 1351 B15R2.4278 CSCOCc1cccc2c1scc2 e3dbdbcbd5c567b35e14be4ba4a2acfe [1,0,1,0,0,0|2,0,0]=4 1352 B15R2.4278 ClCCCNc1cccc2c1CC=C2 8efff5788ed80d54496266a25f91ea77 [1,0,1,0,0,0|2,0,0]=4 1353 B15R2.4278 ClCCCNc1cccc2c1[nH]cc2 9a6c2bdce10c08efc02defa668502252 [1,0,1,0,0,0|2,0,0]=4 1354 B15R2.4278 ClCCCNc1cccc2c1occ2 5175bc6d7ff90149495bb0b26eb1323f [1,0,1,0,0,0|1,1,0]=4 1355 B15R2.4278 ClCCCNc1cccc2c1scc2 c672f21593eec86ddf360d380712d887 [1,0,1,0,0,0|1,0,0]=3 1356 B15R2.4278 ClCCCNc1cccc2c1scn2 d0f42243082c4aa7a093d2176607cfd7 [1,0,1,0,0,0|2,0,0]=4 1357 B15R2.4278 ClCCCNc1cccc2c1snc2 574b2e52d02384d5fb3dd1ba5b75ea98 [1,0,1,0,0,0|2,0,0]=4 1358 B15R2.4278 ClCCCNc1ccnc2c1scc2 d22a4c1795d692398897dd2599a8bd42 [1,0,1,0,0,0|2,0,0]=4 1359 B15R2.4278 ClCCCNc1nccc2c1scc2 5f8495c9897527578e089953b0d59c46 [1,0,1,0,0,0|2,0,0]=4 1360 B15R2.4278 FCCCNc1cccc2c1[nH]cc2 2b5118e0d7ba7a857f3a99c020c15ef7 [1,0,1,0,0,0|2,0,0]=4 1361 B15R2.4278 FCCCNc1cccc2c1occ2 5abae220b651d09f5e5cb1280be23d2b [1,0,1,0,0,0|1,1,0]=4 1362 B15R2.4278 FCCCNc1cccc2c1scn2 c88a03c86926835dcedd201aa3e30fcf [1,0,1,0,0,0|2,0,0]=4 1363 B15R2.4278 FCCCNc1cccc2c1snc2 e2dac704ed78850b58e848782a7577bd [1,0,1,0,0,0|2,0,0]=4 1364 B15R2.4278 FCCCNc1ccnc2c1scc2 2a6e452bb0144c46ba22b2b6f6629213 [1,0,1,0,0,0|2,0,0]=4 1365 B15R2.4278 FCCCNc1nccc2c1scc2 cb63b1fd80c61bbb7d4a6f892c8bc727 [1,0,1,0,0,0|2,0,0]=4 1366 B15R2.4278 FCCCOc1cccc2c1scc2 8085bbab32be578cef7d15df2c342c46 [1,0,1,0,0,0|2,0,0]=4 1367 B15R2.4278 FCCNCc1cccc2c1[nH]cc2 58798a033df607ae807795068d337960 [1,0,1,0,0,0|2,0,0]=4 1368 B15R2.4278 FCCNCc1cccc2c1occ2 f15da4faea3dfbf0fa481189940aabe3 [1,0,1,0,0,0|1,1,0]=4 1369 B15R2.4278 FCCNCc1cccc2c1scc2 f1ed1e5de8463cff809024adbb60ed8b [1,0,1,0,0,0|1,0,0]=3 1370 B15R2.4278 FCCNCc1cccc2c1scn2 d340d3e55b786a82395f5aba2d1fd934 [1,0,1,0,0,0|2,0,0]=4 1371 B15R2.4278 FCCOCc1cccc2c1scc2 b49c0facd62c87b02785ec731fa69995 [1,0,1,0,0,0|2,0,0]=4 1372 B15R2.4278 ICCNCc1cccc2c1scc2 d446e08d56aea13b1d16cc4fda86d08b [1,0,1,0,0,0|1,0,0]=3 1373 B15R2.4278 ICCNCc1cccc2c1scn2 d236d64fc1bcbd0a0f54aed9a4afab04 [1,0,1,0,0,0|2,0,0]=4 1374 B15R2.4278 N#CCNCc1cccc2c1scc2 80cde603a7a5a0231acfafed5f542f9c [1,0,1,0,0,0|1,0,1]=4 1375 B15R2.4278 NOCCNc1cccc2c1scc2 706dd309845a0692db00efcd12a142f2 [1,0,1,0,0,0|2,0,0]=4 1376 B15R2.4278 O=CCNCc1cccc2c1scc2 fb4fc57cd344bbff07412685a610b617 [1,0,1,0,0,0|1,0,1]=4 1377 B15R2.4278 OCCCNc1cccc2c1CC=C2 f075724bce4c196e2c329de927745915 [1,0,1,0,0,0|2,0,0]=4 1378 B15R2.4278 OCCCNc1cccc2c1[nH]cc2 c1ece533d533d5e6f8b3230021b4c044 [1,0,1,0,0,0|2,0,0]=4 1379 B15R2.4278 OCCCNc1cccc2c1occ2 1b9838c3a62dffe5d699547502a60f0b [1,0,1,0,0,0|1,1,0]=4 1380 B15R2.4278 OCCCNc1cccc2c1scc2 96c11a6cc5a9b1a038cc3ebcb1c02377 [1,0,1,0,0,0|1,0,0]=3 1381 B15R2.4278 OCCCNc1cccc2c1scn2 b6236ed97c3f8d6ed3b103ef17ec5124 [1,0,1,0,0,0|2,0,0]=4 1382 B15R2.4278 OCCCNc1cccc2c1snc2 3a167d4942854e1805d54bdcde6ccbce [1,0,1,0,0,0|2,0,0]=4 1383 B15R2.4278 OCCCNc1ccnc2c1scc2 8e687ce351b901b775306ba51dd3d4a5 [1,0,1,0,0,0|2,0,0]=4 1384 B15R2.4278 OCCCNc1nccc2c1scc2 a3bb7880b4eeae579f00acec1970416f [1,0,1,0,0,0|2,0,0]=4 1385 B15R2.4278 OCCNCc1cccc2c1[nH]cc2 71d86b8664058a039e1d7737f1948983 [1,0,1,0,0,0|2,0,0]=4 1386 B15R2.4278 OCCNCc1cccc2c1occ2 2609f56f46bd40cd50afd30208362fa5 [1,0,1,0,0,0|1,1,0]=4 1387 B15R2.4278 OCCNCc1cccc2c1scc2 be26faa229166754884043170fc16bc4 [1,0,1,0,0,0|1,0,0]=3 1388 B15R2.4278 OCCNCc1cccc2c1scn2 866e96e80fe1eaf2e9a74297950a6411 [1,0,1,0,0,0|2,0,0]=4 1389 B15R2.4278 SCCCNc1cccc2c1[nH]cc2 2d12419e798044fdcea483f930a331d4 [1,0,1,0,0,0|2,0,0]=4 1390 B15R2.4278 SCCCNc1cccc2c1occ2 f6843cc8dc6c1cd1a6b94fe9678997b9 [1,0,1,0,0,0|1,1,0]=4 1391 B15R2.4278 SCCCNc1cccc2c1scn2 f4a929d66a6cd21bc950aba90b45fa20 [1,0,1,0,0,0|2,0,0]=4 1392 B15R2.4278 SCCCNc1cccc2c1snc2 747156f3182bc98afba3a8697d253cb9 [1,0,1,0,0,0|2,0,0]=4 1393 B15R2.4278 SCCCNc1ccnc2c1scc2 b17fbcd28e44020c9a57863fc800f89a [1,0,1,0,0,0|2,0,0]=4 1394 B15R2.4278 SCCCNc1nccc2c1scc2 8669568ca4d4983c609fa398dd8586ea [1,0,1,0,0,0|2,0,0]=4 1395 B15R2.4278 SCCCOc1cccc2c1scc2 6269a6e534abdd79f7d0dad6b25ab49b [1,0,1,0,0,0|2,0,0]=4 1396 B15R2.4278 SCCNCc1cccc2c1[nH]cc2 3d37ebde03533b525e5a76cbda473bb7 [1,0,1,0,0,0|2,0,0]=4 1397 B15R2.4278 SCCNCc1cccc2c1occ2 ee1c0a8181dbeda2d14d26152f37b74e [1,0,1,0,0,0|1,1,0]=4 1398 B15R2.4278 SCCNCc1cccc2c1scc2 5da571263f03fe4701914782ae9ef97e [1,0,1,0,0,0|1,0,0]=3 1399 B15R2.4278 SCCNCc1cccc2c1scn2 a80e08a3ca07ae1eec3a549e9cd13842 [1,0,1,0,0,0|2,0,0]=4 1400 B15R2.4278 SCCOCc1cccc2c1scc2 e16fd5740b90c1f23c279db1a71a35ff [1,0,1,0,0,0|2,0,0]=4 1401 B15R2.24899 O=C(CNCC1CC1)c2sccc2Cl 55ac4cff63a79fd1f6001f8195264289 [1,0,1,0,0,0|2,0,0]=4 1402 B17R2.11658 O=Cc1cccc(c1F)CNCC2(CC2)F 1b73de09c73ec947257a3e6bc47d175e [0,1,1,0,0,0|2,0,0]=4 1403 B17R2.11658 O=Cc1cccc(c1F)CNCC2(CC2)O 2df20fc68baaace89a4771dc1f7d23c2 [0,1,1,0,0,0|2,0,0]=4 1404 B17R2.11664 C[C@@H](NCc1cccc(c1F)C=O)C2CC2 c9fbc5f38760a5a024b169b51e4672ba [0,1,1,0,0,0|2,0,0]=4 1405 B17R2.11664 C[C@H](NCc1cccc(c1F)C=O)C2CC2 d641df2512347f1ae170534ff78c6b36 [0,1,1,0,0,0|2,0,0]=4 1406 B17R2.11682 CN(Cc1cccc(c1F)C=O)CC2CC2 9dada201eca075d6688f717a0276466e [0,1,1,0,0,0|2,0,0]=4 1407 B17R2.781133 O=C(O)c1cccc(c1Cl)CNCC2CC2 944dffed0d33f2339fb44c65f5910823 [0,1,1,0,0,0|2,0,0]=4 1408 B17R2.781133 O=C(O)c1cccc(c1F)CNCC2CC2 617be15f1fd91936f3ca82bacb0b0484 [0,1,1,0,0,0|2,0,0]=4 1409 B17R2.8178 CC(NCCCF)c1cccc2c1[nH]cc2 2da7103ab98e331112184119d7e908ce [0,1,1,0,0,0|2,0,0]=4 1410 B17R2.8178 CC(NCCCO)c1cccc2c1[nH]cc2 77991e78074ac818fd46fe89c3b72b0b [0,1,1,0,0,0|2,0,0]=4 1411 B17R2.8178 CC(NCCCS)c1cccc2c1[nH]cc2 4f0473bb6babf64072f0861ed5f80296 [0,1,1,0,0,0|2,0,0]=4 1412 B17R2.8178 CCCCCN(C)c1cccc2c1scc2 17728623fe1155fe5bce0d603a8d4699 [0,1,1,0,0,0|2,0,0]=4 1413 B17R2.8178 CCCCNC(=O)c1cccc2c1occ2 cd76df653e38b30156370751d307fe58 [0,1,1,0,0,0|0,1,1]=4 1414 B17R2.8178 CCCCNC(=O)c1cccc2c1scc2 69c342e6825829692e73f57d14d8de28 [0,1,1,0,0,0|0,0,1]=3 1415 B17R2.8178 CCCCNC(=O)c1cccc2c1scn2 d24651a268b3e2696eb0c5d7e6b3c7f6 [0,1,1,0,0,0|1,0,1]=4 1416 B17R2.8178 CCCCNC(=O)c1cccc2c1snc2 87209dadf67c1573a0e9a320ec65c406 [0,1,1,0,0,0|1,0,1]=4 1417 B17R2.8178 CCCCNC(=O)c1ccnc2c1scc2 0c81023aecc390a0e73d482ff0877a5c [0,1,1,0,0,0|1,0,1]=4 1418 B17R2.8178 CCCCNC(=O)c1nccc2c1scc2 9f33f346be261d0dcd538d2c54110e3d [0,1,1,0,0,0|1,0,1]=4 1419 B17R2.8178 CCCCNC(C)c1cccc2c1[nH]cc2 70da84178e06d2c6a7115ec959a622b1 [0,1,1,0,0,0|1,0,0]=3 1420 B17R2.8178 CCCCOC(C)c1cccc2c1CC=C2 ba5736ab8edb3eeaa4a76d0cc82bdafb [0,1,1,0,0,0|2,0,0]=4 1421 B17R2.8178 COCCNC(=O)c1cccc2c1scc2 be7355b972ee458211478f61f76269aa [0,1,1,0,0,0|1,0,1]=4 1422 B17R2.8178 COCCNC(C)c1cccc2c1[nH]cc2 e3bd9425263c8aff142c38b3411aad38 [0,1,1,0,0,0|2,0,0]=4 1423 B17R2.8178 CSCCNC(=O)c1cccc2c1scc2 c98873ff9fff2c698052285b71c6f61d [0,1,1,0,0,0|1,0,1]=4 1424 B17R2.8178 CSCCNC(C)c1cccc2c1[nH]cc2 61bea81bc69bb8be4adeefa6c3396b4c [0,1,1,0,0,0|2,0,0]=4 1425 B17R2.8178 O=C(NCCCCl)c1cccc2c1scc2 dbd2d62a953475cafda20246a0baac58 [0,1,1,0,0,0|1,0,1]=4 1426 B17R2.8178 O=C(NCCCO)c1cccc2c1scc2 4c145696d41961f91ae257f545b4921e [0,1,1,0,0,0|1,0,1]=4 1427 B17R2.10878 C#CCCCNCc1cccc2c1[nH]cc2 7be764b3b839a1e9106ef990487ce4b1 [0,1,1,0,0,0|1,0,1]=4 1428 B17R2.10878 C#CCCCNCc1cccc2c1occ2 f65b709e434518b33749aa2297734ffa [0,1,1,0,0,0|0,1,1]=4 1429 B17R2.10878 C#CCCCNCc1cccc2c1scc2 00aebb97aff5544d90d6a559384088db [0,1,1,0,0,0|0,0,1]=3 1430 B17R2.10878 C#CCCCNCc1cccc2c1scn2 04ca95ae46aa2237cb4c517cdee137f3 [0,1,1,0,0,0|1,0,1]=4 1431 B17R2.10878 C#CCCCOCc1cccc2c1scc2 5282b1e5ff7281569f6a1b7ba8ab6565 [0,1,1,0,0,0|1,0,1]=4 1432 B17R2.10878 C/C=C/CCOCc1cccc2c1scc2 57e4889e26ba4f3d97f738e5a3faa12c [0,1,1,0,0,0|1,0,1]=4 1433 B17R2.10878 C=CCCCNCc1cccc2c1[nH]cc2 7ad1a478a552b73e3f9d6fd6c531ccdf [0,1,1,0,0,0|1,0,1]=4 1434 B17R2.10878 C=CCCCNCc1cccc2c1occ2 743552f9f6eecbc839428b096c85c7f5 [0,1,1,0,0,0|0,1,1]=4 1435 B17R2.10878 C=CCCCNCc1cccc2c1scc2 78535a4f6086b712893ebc18099c98b1 [0,1,1,0,0,0|0,0,1]=3 1436 B17R2.10878 C=CCCCNCc1cccc2c1scn2 a394a50a6db3ad8522c0d2122ac3cbc4 [0,1,1,0,0,0|1,0,1]=4 1437 B17R2.10878 C=CCCCOCc1cccc2c1scc2 4e9ed6a5e75097a2e2540cd6887033fe [0,1,1,0,0,0|1,0,1]=4 1438 B17R2.10878 C=COCCNCc1cccc2c1scc2 7c0d1e88c0be163663ed2feab80339eb [0,1,1,0,0,0|0,0,2]=4 1439 B17R2.10878 CC#CCCOCc1cccc2c1scc2 449d520e82c943ce45f760ec581b4fba [0,1,1,0,0,0|1,0,1]=4 1440 B17R2.10878 CC/C=C/CNCc1cccc2c1[nH]cc2 c6794e240192618b8d14a1a18b2ccef9 [0,1,1,0,0,0|1,0,1]=4 1441 B17R2.10878 CC/C=C/CNCc1cccc2c1occ2 7d4cac218a9c7151510ce4ab40bc0ef0 [0,1,1,0,0,0|0,1,1]=4 1442 B17R2.10878 CC/C=C/CNCc1cccc2c1scc2 cdbf65bd135dc22a29b0c286b8858b0c [0,1,1,0,0,0|0,0,1]=3 1443 B17R2.10878 CC/C=C/CNCc1cccc2c1scn2 f94418f563112a314837b05f759c0c4a [0,1,1,0,0,0|1,0,1]=4 1444 B17R2.10878 CC/C=C/COCc1cccc2c1scc2 c9e86eaaa4c675a72ebfe500c2c8ecbb [0,1,1,0,0,0|1,0,1]=4 1445 B17R2.10878 CC/C=C\COCc1cccc2c1scc2 654abacaca3a108a40666ebe8efe8894 [0,1,1,0,0,0|1,0,1]=4 1446 B17R2.10878 CCC#CCOCc1cccc2c1scc2 ccd7d2a8d5788fc64a0268f293fc4b58 [0,1,1,0,0,0|1,0,1]=4 1447 B17R2.10878 CCC/C=C/COc1cccc2c1scc2 b98406fc5878cb4639aabb4557ab9a50 [0,1,1,0,0,0|1,0,1]=4 1448 B17R2.10878 CCC/C=C\COc1cccc2c1scc2 748149247433072296915915f7c7a3f1 [0,1,1,0,0,0|1,0,1]=4 1449 B17R2.10878 CCCCCCNc1cccc2c1CC=C2 f79d47db0a9ac4f777d200872f17e007 [0,1,1,0,0,0|2,0,0]=4 1450 B17R2.10878 CCCCCCNc1cccc2c1[nH]cc2 20fbb882dad3876961e9ce772f59e637 [0,1,1,0,0,0|2,0,0]=4 1451 B17R2.10878 CCCCCCNc1cccc2c1occ2 f46c547997d25a0272fef90e71e3b66c [0,1,1,0,0,0|1,1,0]=4 1452 B17R2.10878 CCCCCCNc1cccc2c1scc2 b19d8ec68c7845862bf3637377d80cb3 [0,1,1,0,0,0|1,0,0]=3 1453 B17R2.10878 CCCCCCNc1cccc2c1scn2 4f04d44338811f9daa0daa9ebe61a1ef [0,1,1,0,0,0|2,0,0]=4 1454 B17R2.10878 CCCCCCNc1cccc2c1snc2 229a2183a1b16b5c2fce208064bbdebc [0,1,1,0,0,0|2,0,0]=4 1455 B17R2.10878 CCCCCCNc1ccnc2c1scc2 95eb5c35040af1db0b15c88bfb03b3ef [0,1,1,0,0,0|2,0,0]=4 1456 B17R2.10878 CCCCCCNc1nccc2c1scc2 79c7324a750a580681c366f6d6b5fc08 [0,1,1,0,0,0|2,0,0]=4 1457 B17R2.10878 CCCCCCOc1cccc2c1[nH]cc2 e96d4a122cdfdaf1381aa900d50e6f4f [0,1,1,0,0,0|2,0,0]=4 1458 B17R2.10878 CCCCCCOc1cccc2c1occ2 69410db128d308788f8434a463e5f295 [0,1,1,0,0,0|1,1,0]=4 1459 B17R2.10878 CCCCCCOc1cccc2c1scc2 937a0ded3a5c1181fa15ccf4de706ee2 [0,1,1,0,0,0|1,0,0]=3 1460 B17R2.10878 CCCCCCOc1cccc2c1scn2 48791017ba53938b5cce0ced657c1671 [0,1,1,0,0,0|2,0,0]=4 1461 B17R2.10878 CCCCCCOc1ccnc2c1scc2 3bbaa8cdc618f1136880d34becf2efa6 [0,1,1,0,0,0|2,0,0]=4 1462 B17R2.10878 CCCCCNCc1cccc2c1[nH]cc2 ca3df4ad008177cd9c3beeeeb67e3bb7 [0,1,1,0,0,0|1,0,0]=3 1463 B17R2.10878 CCCCCNCc1cccc2c1[nH]nc2 c9f8be371968207dcc33542dd72ede4e [0,1,1,0,0,0|2,0,0]=4 1464 B17R2.10878 CCCCCNCc1cccc2c1cc[nH]2 0ba98d92fdae411eb12aa98150079d35 [0,1,1,0,0,0|2,0,0]=4 1465 B17R2.10878 CCCCCNCc1cccc2c1ccs2 e1c1db4ddc07d2bbc363f288a3f76099 [0,1,1,0,0,0|2,0,0]=4 1466 B17R2.10878 CCCCCNCc1cccc2c1nco2 7ff7cf77319910458b2840a0b8701c49 [0,1,1,0,0,0|2,0,0]=4 1467 B17R2.10878 CCCCCNCc1cccc2c1ncs2 70dd97a5c3705b4cef41b71279285f4f [0,1,1,0,0,0|2,0,0]=4 1468 B17R2.10878 CCCCCNCc1cccc2c1occ2 4f22ac484728d81ae4277d1dd3fd0081 [0,1,1,0,0,0|0,1,0]=3 1469 B17R2.10878 CCCCCNCc1cccc2c1ocn2 daa1cb6303311ec2cb1a9b38e8af0a9c [0,1,1,0,0,0|1,1,0]=4 1470 B17R2.10878 CCCCCNCc1cccc2c1scc2 0ccfd9bb27ad0b5647ed8f60060d49e2 [0,1,1,0,0,0|0,0,0]=2 1471 B17R2.10878 CCCCCNCc1cccc2c1scn2 681434804c798a86d4e93f233d93a0e6 [0,1,1,0,0,0|1,0,0]=3 1472 B17R2.10878 CCCCCNCc1cccc2n1ncc2 0aa95e34e11e430cd22d357d791e6974 [0,1,1,0,0,0|2,0,0]=4 1473 B17R2.10878 CCCCCNCc1cccn2c1ncc2 696e9e645dec26d51c28fac66e8bf3e9 [0,1,1,0,0,0|2,0,0]=4 1474 B17R2.10878 CCCCCOCc1cccc2c1[nH]cc2 6e23cfa2fdac3d11d1cff0f9b6bfcc8c [0,1,1,0,0,0|2,0,0]=4 1475 B17R2.10878 CCCCCOCc1cccc2c1occ2 269b58b3d7ebeb1cdfde3cb582ea95a6 [0,1,1,0,0,0|1,1,0]=4 1476 B17R2.10878 CCCCCOCc1cccc2c1scc2 579c439dfd9248fa39aabf5dae294ec9 [0,1,1,0,0,0|1,0,0]=3 1477 B17R2.10878 CCCCCOCc1cccc2c1scn2 08a3f8af68c51dbbefd7e88a9e415c99 [0,1,1,0,0,0|2,0,0]=4 1478 B17R2.10878 CCCCNCCc1cccc2c1cc[nH]2 290ae60a0a55cfe1ffc163ae12b0f65a [0,1,1,0,0,0|2,0,0]=4 1479 B17R2.10878 CCCCOCNc1cccc2c1[nH]cc2 c0d6280485d3edca0922909d37969171 [0,1,1,0,0,0|2,0,0]=4 1480 B17R2.10878 CCCCOCNc1cccc2c1occ2 4f7b663c5ebd3df372a0ce3032baca05 [0,1,1,0,0,0|1,1,0]=4 1481 B17R2.10878 CCCCOCNc1cccc2c1scn2 5f635543cbb49fee54aa12063a71c890 [0,1,1,0,0,0|2,0,0]=4 1482 B17R2.10878 CCCCOCNc1cccc2c1snc2 53ce19a1b7128b18af986aa6c8b85a5a [0,1,1,0,0,0|2,0,0]=4 1483 B17R2.10878 CCCCOCNc1ccnc2c1scc2 7dd58cc9d23fe66a9ad6d46acb756bbb [0,1,1,0,0,0|2,0,0]=4 1484 B17R2.10878 CCCCOCNc1nccc2c1scc2 578549e39d7912faf1b7a6b69dd612c1 [0,1,1,0,0,0|2,0,0]=4 1485 B17R2.10878 CCCCOCOc1cccc2c1[nH]cc2 48c6d46ac572d2316ef3d6973b4acc3c [0,1,1,0,0,0|2,0,0]=4 1486 B17R2.10878 CCCCOCOc1cccc2c1occ2 9ff54178f0bd09f090b76dc2b4fa3a4c [0,1,1,0,0,0|1,1,0]=4 1487 B17R2.10878 CCCCOCOc1cccc2c1scc2 4b340b3644543ceea61b33fc102852f5 [0,1,1,0,0,0|1,0,0]=3 1488 B17R2.10878 CCCCOCOc1cccc2c1scn2 d152b2f0e92dc1e2edd705fef46c2a95 [0,1,1,0,0,0|2,0,0]=4 1489 B17R2.10878 CCCCOCOc1ccnc2c1scc2 39011aabe51334fa8860403f8302e180 [0,1,1,0,0,0|2,0,0]=4 1490 B17R2.10878 CCCNCCCc1cccc2c1[nH]cc2 aa7f6fef65813a2bd273ef0386c3c620 [0,1,1,0,0,0|2,0,0]=4 1491 B17R2.10878 CCCOCCNc1cccc2c1scc2 19a8fd0211ec02d63a82bb29084c1b45 [0,1,1,0,0,0|2,0,0]=4 1492 B17R2.10878 CCCOCCOc1cccc2c1scc2 f27b08e965760be8b4ec5ac712558e03 [0,1,1,0,0,0|2,0,0]=4 1493 B17R2.10878 CCOCCCNc1cccc2c1scc2 291678bfce58bd6dd37b220652e387a0 [0,1,1,0,0,0|2,0,0]=4 1494 B17R2.10878 CCOCCCOc1cccc2c1scc2 3875b6c4330d2ce6181bab409dda6f24 [0,1,1,0,0,0|2,0,0]=4 1495 B17R2.10878 CCOCCNCc1cccc2c1[nH]cc2 fea1ca32e25c2dbfebe942c359f97a78 [0,1,1,0,0,0|1,0,0]=3 1496 B17R2.10878 CCOCCNCc1cccc2c1[nH]nc2 f8fe960ceafe011912338a4eab30231a [0,1,1,0,0,0|2,0,0]=4 1497 B17R2.10878 CCOCCNCc1cccc2c1cc[nH]2 3bf1b26ef9095e45c7600db844b51814 [0,1,1,0,0,0|2,0,0]=4 1498 B17R2.10878 CCOCCNCc1cccc2c1ccs2 10036da579a5faf47ee930d55a3fcb61 [0,1,1,0,0,0|2,0,0]=4 1499 B17R2.10878 CCOCCNCc1cccc2c1nco2 2541854fa05501393657291f6ec7a1f6 [0,1,1,0,0,0|2,0,0]=4 1500 B17R2.10878 CCOCCNCc1cccc2c1ncs2 fd4ac74d92fff21fdbcefd20d526d5cd [0,1,1,0,0,0|2,0,0]=4 1501 B17R2.10878 CCOCCNCc1cccc2c1occ2 24a5a6e486a11f0a249c03fd08022019 [0,1,1,0,0,0|0,1,0]=3 1502 B17R2.10878 CCOCCNCc1cccc2c1ocn2 19bca04a3714f446163781a89dd990cc [0,1,1,0,0,0|1,1,0]=4 1503 B17R2.10878 CCOCCNCc1cccc2c1scc2 9cfd72a5326bb9e43f66cc26481a5c43 [0,1,1,0,0,0|0,0,0]=2 1504 B17R2.10878 CCOCCNCc1cccc2c1scn2 fee621a45b6ca6c84004b655f82c3d45 [0,1,1,0,0,0|1,0,0]=3 1505 B17R2.10878 CCOCCNCc1cccc2n1ncc2 b4a0d4999f7b76d8e1dee9520d231a94 [0,1,1,0,0,0|2,0,0]=4 1506 B17R2.10878 CCOCCNCc1cccn2c1ncc2 4965c7053555fe85cc6fd85dff7765cc [0,1,1,0,0,0|2,0,0]=4 1507 B17R2.10878 CCOCCOCc1cccc2c1[nH]cc2 5090742bfb62f8d3ac01dfc4727cdc18 [0,1,1,0,0,0|2,0,0]=4 1508 B17R2.10878 CCOCCOCc1cccc2c1occ2 7fd7535ed5a53a75c7498fe2bcc5e862 [0,1,1,0,0,0|1,1,0]=4 1509 B17R2.10878 CCOCCOCc1cccc2c1scc2 1c4d3c8f71c22a7eb39cefce1acbf15f [0,1,1,0,0,0|1,0,0]=3 1510 B17R2.10878 CCOCCOCc1cccc2c1scn2 c750d1a920d7fadfad4ba2f900009625 [0,1,1,0,0,0|2,0,0]=4 1511 B17R2.10878 CCSCCCOc1cccc2c1scc2 3564443ac2c6981678e5217db655b432 [0,1,1,0,0,0|2,0,0]=4 1512 B17R2.10878 CCSCCNCc1cccc2c1[nH]cc2 a8996ed71bc523dcd5dfd17ea33a4bf2 [0,1,1,0,0,0|1,0,0]=3 1513 B17R2.10878 CCSCCNCc1cccc2c1[nH]nc2 58662842603f6854eeff474aa11683a8 [0,1,1,0,0,0|2,0,0]=4 1514 B17R2.10878 CCSCCNCc1cccc2c1cc[nH]2 089f2c6959703ac4039886519f1159d8 [0,1,1,0,0,0|2,0,0]=4 1515 B17R2.10878 CCSCCNCc1cccc2c1ccs2 bedc883028c480af8c103bb0aea67ccb [0,1,1,0,0,0|2,0,0]=4 1516 B17R2.10878 CCSCCNCc1cccc2c1nco2 a1312431c97c3ea2946067f6521865dc [0,1,1,0,0,0|2,0,0]=4 1517 B17R2.10878 CCSCCNCc1cccc2c1ncs2 376ea8dc40514145572cc39d9e8d9d5b [0,1,1,0,0,0|2,0,0]=4 1518 B17R2.10878 CCSCCNCc1cccc2c1occ2 691e3bb6ce8994abd86599e05703d8ef [0,1,1,0,0,0|0,1,0]=3 1519 B17R2.10878 CCSCCNCc1cccc2c1ocn2 a25fca96e683ae440b40fbc9c752bfdf [0,1,1,0,0,0|1,1,0]=4 1520 B17R2.10878 CCSCCNCc1cccc2c1scc2 6092fc3522f2dbc11c80e413ec41949e [0,1,1,0,0,0|0,0,0]=2 1521 B17R2.10878 CCSCCNCc1cccc2c1scn2 798b4f38daed3c709c0ad604684dad95 [0,1,1,0,0,0|1,0,0]=3 1522 B17R2.10878 CCSCCNCc1cccc2n1ncc2 0179cea231b499c83a570d568cc1a114 [0,1,1,0,0,0|2,0,0]=4 1523 B17R2.10878 CCSCCNCc1cccn2c1ncc2 d1029e0d80863a1d0c4e84afb23fb5d3 [0,1,1,0,0,0|2,0,0]=4 1524 B17R2.10878 CCSCCOCc1cccc2c1[nH]cc2 08bbd70d4dc1ffb3cb05526361572a38 [0,1,1,0,0,0|2,0,0]=4 1525 B17R2.10878 CCSCCOCc1cccc2c1occ2 897cea3783bb4c16515096d7e455db4a [0,1,1,0,0,0|1,1,0]=4 1526 B17R2.10878 CCSCCOCc1cccc2c1scc2 1dc1d9d79323400228354a68ad817ca8 [0,1,1,0,0,0|1,0,0]=3 1527 B17R2.10878 CCSCCOCc1cccc2c1scn2 9f0ad6249bff5b23e11feaf4760a514f [0,1,1,0,0,0|2,0,0]=4 1528 B17R2.10878 COCCCCNc1cccc2c1scc2 b6dc45e74af0abafdfcf03ee640a2b50 [0,1,1,0,0,0|2,0,0]=4 1529 B17R2.10878 COCCCCOc1cccc2c1scc2 0ebbd1b7c346891d3cf814756aa7999f [0,1,1,0,0,0|2,0,0]=4 1530 B17R2.10878 COCCCNCc1cccc2c1[nH]cc2 a2a26e157e5842f3ab2cc270c08f141c [0,1,1,0,0,0|1,0,0]=3 1531 B17R2.10878 COCCCNCc1cccc2c1[nH]nc2 9cf3aaa2b06c1d57feca721ee5fe89a1 [0,1,1,0,0,0|2,0,0]=4 1532 B17R2.10878 COCCCNCc1cccc2c1cc[nH]2 adaea82c1293bdf5e06dd4d8046120a7 [0,1,1,0,0,0|2,0,0]=4 1533 B17R2.10878 COCCCNCc1cccc2c1ccs2 04ebc76929aab0d8adaa865a2e44800c [0,1,1,0,0,0|2,0,0]=4 1534 B17R2.10878 COCCCNCc1cccc2c1nco2 c9b518d75083e79cc808b29788dc7b7a [0,1,1,0,0,0|2,0,0]=4 1535 B17R2.10878 COCCCNCc1cccc2c1ncs2 136c1241e84f114f6282ca405ff738c1 [0,1,1,0,0,0|2,0,0]=4 1536 B17R2.10878 COCCCNCc1cccc2c1occ2 c2a83ae0afc925bde6ebfc9ecd9accb9 [0,1,1,0,0,0|0,1,0]=3 1537 B17R2.10878 COCCCNCc1cccc2c1ocn2 55b0eece27c22aa29301ac5a93096fb3 [0,1,1,0,0,0|1,1,0]=4 1538 B17R2.10878 COCCCNCc1cccc2c1scc2 cb26c716f7b72c560b89af5ac5072d21 [0,1,1,0,0,0|0,0,0]=2 1539 B17R2.10878 COCCCNCc1cccc2c1scn2 0f3c8f1ef8bee4002a4641eb6d054ee4 [0,1,1,0,0,0|1,0,0]=3 1540 B17R2.10878 COCCCNCc1cccc2n1ncc2 daa6cb4e76b1f1859e190bbdaca699e2 [0,1,1,0,0,0|2,0,0]=4 1541 B17R2.10878 COCCCNCc1cccn2c1ncc2 4cf1fbe54a9e19f68e56b6ab666d222b [0,1,1,0,0,0|2,0,0]=4 1542 B17R2.10878 COCCCOCc1cccc2c1[nH]cc2 2ad1b2e7b62fba1ae257d4583c31ae1c [0,1,1,0,0,0|2,0,0]=4 1543 B17R2.10878 COCCCOCc1cccc2c1occ2 546ad7e0f66c8c39fc565ff33b483c3d [0,1,1,0,0,0|1,1,0]=4 1544 B17R2.10878 COCCCOCc1cccc2c1scc2 afd11ac530f3d56ab84e7232e707fc10 [0,1,1,0,0,0|1,0,0]=3 1545 B17R2.10878 COCCCOCc1cccc2c1scn2 704fedbfc768d0e6f228348d72fe09da [0,1,1,0,0,0|2,0,0]=4 1546 B17R2.10878 COCCOCOc1cccc2c1scc2 c5a67f3317c86f1e174e0b588fcf6671 [0,1,1,0,0,0|2,0,0]=4 1547 B17R2.10878 CSCCCCNc1cccc2c1scc2 4e49e9e33eaadb7a2d2f0e5f24028eba [0,1,1,0,0,0|2,0,0]=4 1548 B17R2.10878 CSCCCNCc1cccc2c1[nH]cc2 7a870fb799b81dc7be650fdc6259de25 [0,1,1,0,0,0|1,0,0]=3 1549 B17R2.10878 CSCCCNCc1cccc2c1[nH]nc2 823ec6d0243a5f161fb72f9f747a68ed [0,1,1,0,0,0|2,0,0]=4 1550 B17R2.10878 CSCCCNCc1cccc2c1cc[nH]2 aa8005086984aa2414db810889ffc396 [0,1,1,0,0,0|2,0,0]=4 1551 B17R2.10878 CSCCCNCc1cccc2c1ccs2 7672c5c72b36d7e83bb86e5993f0b6a9 [0,1,1,0,0,0|2,0,0]=4 1552 B17R2.10878 CSCCCNCc1cccc2c1nco2 3e371d960c41d001ca83e2e41d3e7e99 [0,1,1,0,0,0|2,0,0]=4 1553 B17R2.10878 CSCCCNCc1cccc2c1ncs2 7c9977748140dab778d0da21347dbe87 [0,1,1,0,0,0|2,0,0]=4 1554 B17R2.10878 CSCCCNCc1cccc2c1occ2 bf181b0ebbc45c586bd9b79fbd4ebe97 [0,1,1,0,0,0|0,1,0]=3 1555 B17R2.10878 CSCCCNCc1cccc2c1ocn2 b8bfbb7c3bcee9f953e3d0c43e8aee85 [0,1,1,0,0,0|1,1,0]=4 1556 B17R2.10878 CSCCCNCc1cccc2c1scc2 37551063dda139f874da4ddab16c64cd [0,1,1,0,0,0|0,0,0]=2 1557 B17R2.10878 CSCCCNCc1cccc2c1scn2 d34b58db769b510f4e88aea7adc31ac2 [0,1,1,0,0,0|1,0,0]=3 1558 B17R2.10878 CSCCCNCc1cccc2n1ncc2 0c7d71f271112653c553b642c84f0faf [0,1,1,0,0,0|2,0,0]=4 1559 B17R2.10878 CSCCCNCc1cccn2c1ncc2 1c8baea7f60b8c5a393efa611c3e1550 [0,1,1,0,0,0|2,0,0]=4 1560 B17R2.10878 CSCCCOCc1cccc2c1[nH]cc2 ba338d822798ad2da601c6dfbf1976fc [0,1,1,0,0,0|2,0,0]=4 1561 B17R2.10878 CSCCCOCc1cccc2c1occ2 d14ed1593218a66ca8e6f811b0ab81fa [0,1,1,0,0,0|1,1,0]=4 1562 B17R2.10878 CSCCCOCc1cccc2c1scc2 8b038300a4d7169c700e24e8f3955c23 [0,1,1,0,0,0|1,0,0]=3 1563 B17R2.10878 CSCCCOCc1cccc2c1scn2 021eb415a3a426dbde381cb050af4c8d [0,1,1,0,0,0|2,0,0]=4 1564 B17R2.10878 ClCCCCCNc1cccc2c1scc2 e66918ad6461584e9bc57abc8e96a86a [0,1,1,0,0,0|2,0,0]=4 1565 B17R2.10878 ClCCCCNCc1cccc2c1[nH]nc2 138a9aaac4470ba6467ca30389ddb5f3 [0,1,1,0,0,0|2,0,0]=4 1566 B17R2.10878 ClCCCCNCc1cccc2c1ccs2 4bb0d49cb41f2054d2698373c2f5a72a [0,1,1,0,0,0|2,0,0]=4 1567 B17R2.10878 ClCCCCNCc1cccc2c1nco2 12e1fbe45c79fa3957b85eed6855e404 [0,1,1,0,0,0|2,0,0]=4 1568 B17R2.10878 ClCCCCNCc1cccc2c1ncs2 ade0499621dd4fa9f9289afeb689bfd0 [0,1,1,0,0,0|2,0,0]=4 1569 B17R2.10878 ClCCCCNCc1cccc2c1ocn2 11c9f6e850464d5904a700fbf7cdf72f [0,1,1,0,0,0|1,1,0]=4 1570 B17R2.10878 ClCCCCNCc1cccc2c1scc2 7228e148bf08999477c7702b15a44dbb [0,1,1,0,0,0|0,0,0]=2 1571 B17R2.10878 ClCCCCNCc1cccc2c1scn2 dd29956e0d4ed3ba92242afa7a7490f2 [0,1,1,0,0,0|1,0,0]=3 1572 B17R2.10878 ClCCCCNCc1cccc2n1ncc2 5a99a4afe0d3cf2e2b013f520a55d10f [0,1,1,0,0,0|2,0,0]=4 1573 B17R2.10878 FCCCCCOc1cccc2c1scc2 d7ca8fdf0786be48e7c170afbbfcc506 [0,1,1,0,0,0|2,0,0]=4 1574 B17R2.10878 FCCCCNCc1cccc2c1[nH]cc2 8470cf17e6ebaac81cfda6c4dd476ac6 [0,1,1,0,0,0|1,0,0]=3 1575 B17R2.10878 FCCCCNCc1cccc2c1[nH]nc2 69581c50327727e7b1aeffe373402057 [0,1,1,0,0,0|2,0,0]=4 1576 B17R2.10878 FCCCCNCc1cccc2c1cc[nH]2 e97518e60f1adc8317df51a952ccd4b6 [0,1,1,0,0,0|2,0,0]=4 1577 B17R2.10878 FCCCCNCc1cccc2c1ccs2 3793cb7e1d60d51b116be50c10138860 [0,1,1,0,0,0|2,0,0]=4 1578 B17R2.10878 FCCCCNCc1cccc2c1occ2 77d4f3477bd7da90402d77dfa06a1df8 [0,1,1,0,0,0|0,1,0]=3 1579 B17R2.10878 FCCCCNCc1cccc2c1scc2 94b74ae97329125c25d082c9ba402c36 [0,1,1,0,0,0|0,0,0]=2 1580 B17R2.10878 FCCCCNCc1cccc2c1scn2 a0008cae3e83539ee7461fe55db95425 [0,1,1,0,0,0|1,0,0]=3 1581 B17R2.10878 FCCCCNCc1cccc2n1ncc2 99e15c8878ca22b401b2d999e77573cc [0,1,1,0,0,0|2,0,0]=4 1582 B17R2.10878 FCCCCNCc1cccn2c1ncc2 e494bd3b0ea6830bba5f9363ce8db5ef [0,1,1,0,0,0|2,0,0]=4 1583 B17R2.10878 FCCCCOCc1cccc2c1[nH]cc2 e1e1ce5f97f80836e87a7e18fb797b1c [0,1,1,0,0,0|2,0,0]=4 1584 B17R2.10878 FCCCCOCc1cccc2c1occ2 667ea52df4ffa96796a49345b5a6731e [0,1,1,0,0,0|1,1,0]=4 1585 B17R2.10878 FCCCCOCc1cccc2c1scc2 df5ae3eb9ebe597549e047d39f6ca6fd [0,1,1,0,0,0|1,0,0]=3 1586 B17R2.10878 FCCCCOCc1cccc2c1scn2 b2c8d0781c7370d31a26fb493122be9a [0,1,1,0,0,0|2,0,0]=4 1587 B17R2.10878 N#CCCCNCc1cccc2c1[nH]cc2 9554260c6ab44de408159401bd6c9fc9 [0,1,1,0,0,0|1,0,1]=4 1588 B17R2.10878 N#CCCCNCc1cccc2c1occ2 ee655a8ae7a2a19eb45e6c2598bca684 [0,1,1,0,0,0|0,1,1]=4 1589 B17R2.10878 N#CCCCNCc1cccc2c1scc2 74206d944021a858d29fa4d89c478214 [0,1,1,0,0,0|0,0,1]=3 1590 B17R2.10878 N#CCCCNCc1cccc2c1scn2 256f7e626899cd7fb0f9dddcefdaba72 [0,1,1,0,0,0|1,0,1]=4 1591 B17R2.10878 N#CCCCOCc1cccc2c1scc2 5b07e17749fb1867605fc6c280d4a046 [0,1,1,0,0,0|1,0,1]=4 1592 B17R2.10878 O=CCCCNCc1cccc2c1[nH]cc2 af60db2085be5d50430bb073773d524a [0,1,1,0,0,0|1,0,1]=4 1593 B17R2.10878 O=CCCCNCc1cccc2c1occ2 4dc9fdb7e965b884daf5af6243c991a4 [0,1,1,0,0,0|0,1,1]=4 1594 B17R2.10878 O=CCCCNCc1cccc2c1scc2 b1c533d8b412229212c166ca99ef8036 [0,1,1,0,0,0|0,0,1]=3 1595 B17R2.10878 O=CCCCNCc1cccc2c1scn2 7371d9590bd04657142d0527c28dc550 [0,1,1,0,0,0|1,0,1]=4 1596 B17R2.10878 O=CCCCOCc1cccc2c1scc2 af48c7a05aa48109368a6455f0d61735 [0,1,1,0,0,0|1,0,1]=4 1597 B17R2.10878 OCC#CCNCc1cccc2c1scc2 80f0857f6be905ad6cd00a8707528a2f [0,1,1,0,0,0|0,0,2]=4 1598 B17R2.10878 OCCCCCNc1cccc2c1scc2 5857562426de7a214da5534eddd62d0e [0,1,1,0,0,0|2,0,0]=4 1599 B17R2.10878 OCCCCNCc1cccc2c1[nH]cc2 b36b55d78b9c78b692eaa6247aff113d [0,1,1,0,0,0|1,0,0]=3 1600 B17R2.10878 OCCCCNCc1cccc2c1[nH]nc2 4342ea499053f551658905205438e010 [0,1,1,0,0,0|2,0,0]=4 1601 B17R2.10878 OCCCCNCc1cccc2c1cc[nH]2 38d05cd25db2d3b4b3f5200081dca1fc [0,1,1,0,0,0|2,0,0]=4 1602 B17R2.10878 OCCCCNCc1cccc2c1ccs2 a793e70b8fb4fa8fd925bedf70bd5453 [0,1,1,0,0,0|2,0,0]=4 1603 B17R2.10878 OCCCCNCc1cccc2c1nco2 dd57a7dc0ddde4e3f2b5e6393430c7ee [0,1,1,0,0,0|2,0,0]=4 1604 B17R2.10878 OCCCCNCc1cccc2c1ncs2 d8efba987a174d9bf9e0ae2e61d46fe4 [0,1,1,0,0,0|2,0,0]=4 1605 B17R2.10878 OCCCCNCc1cccc2c1occ2 ac55ae2d52f15d54299427a6d95a4b78 [0,1,1,0,0,0|0,1,0]=3 1606 B17R2.10878 OCCCCNCc1cccc2c1ocn2 577e7dc76742359cd20798c26d3afec0 [0,1,1,0,0,0|1,1,0]=4 1607 B17R2.10878 OCCCCNCc1cccc2c1scc2 d085cced9267745e6feca04127d6b76f [0,1,1,0,0,0|0,0,0]=2 1608 B17R2.10878 OCCCCNCc1cccc2c1scn2 28301066de8c31c1257d07eefb18fb18 [0,1,1,0,0,0|1,0,0]=3 1609 B17R2.10878 OCCCCNCc1cccc2n1ncc2 4b96c9478cd4f325a10e226ce7613f6f [0,1,1,0,0,0|2,0,0]=4 1610 B17R2.10878 OCCCCNCc1cccn2c1ncc2 2f30066fbc409616d726f55b55bb7a90 [0,1,1,0,0,0|2,0,0]=4 1611 B17R2.10878 SCCCCNCc1cccc2c1[nH]nc2 6b0b7bbd49bc93263700cbc275edbeef [0,1,1,0,0,0|2,0,0]=4 1612 B17R2.10878 SCCCCNCc1cccc2c1ccs2 9634ca5b67b54defc8f118a11f8d2b45 [0,1,1,0,0,0|2,0,0]=4 1613 B17R2.10878 SCCCCNCc1cccc2c1nco2 199f214c1051f27597f702c7e05f247b [0,1,1,0,0,0|2,0,0]=4 1614 B17R2.10878 SCCCCNCc1cccc2c1ncs2 537d6bfc917763ba439b8edacb64e91c [0,1,1,0,0,0|2,0,0]=4 1615 B17R2.10878 SCCCCNCc1cccc2c1ocn2 faae9dfd1d22b198502137de42ee4aa7 [0,1,1,0,0,0|1,1,0]=4 1616 B17R2.10878 SCCCCNCc1cccc2c1scc2 42b9e2f4b3fadfd6d2b7a2d0c9820b5f [0,1,1,0,0,0|0,0,0]=2 1617 B17R2.10878 SCCCCNCc1cccc2c1scn2 ff2a3952586f80eee8fbfd9c03256d21 [0,1,1,0,0,0|1,0,0]=3 1618 B17R2.10878 SCCCCNCc1cccc2n1ncc2 ffce9ba1a75755798349f71183179afc [0,1,1,0,0,0|2,0,0]=4 1619 B17R2.10878 SCCCCOCc1cccc2c1scc2 ee9e13f743d71ec4311ee2e95126e745 [0,1,1,0,0,0|1,0,0]=3 1620 B17R2.10878 SCCCCOCc1cccc2c1scn2 7f1ef9be4acd2483e1dfc668a0d9ca73 [0,1,1,0,0,0|2,0,0]=4 1621 B17R2.19045 CCCCNCc1cccc2c1CNC2=O bb4ef887fffb91fa4e1926faa0fb02e7 [0,1,1,0,0,0|2,0,0]=4 1622 B17R2.19045 CCCCNCc1cccc2c1ccn2C 09c696f96fe16bf66125ebba2ea595f0 [0,1,1,0,0,0|2,0,0]=4 1623 B17R2.19053 C#CCCNCc1cccc2c1sc(c2)C b5a30dc0447f08f1fd7123a4cd2992fe [0,1,1,0,0,0|0,0,2]=4 1624 B17R2.19053 C=CCCNCc1cccc2c1sc(c2)C dacf446b2ce3aab260903266de917723 [0,1,1,0,0,0|0,0,2]=4 1625 B17R2.19053 CC#CCNCc1cccc2c1sc(c2)C a345c83a25e7d05c43d355b6e6995e1e [0,1,1,0,0,0|0,0,2]=4 1626 B17R2.19053 CC=CCNCc1cccc2c1sc(c2)C a319d3ec10a1ee61c4c3db3c4f43cff0 [0,1,1,0,0,0|0,0,2]=4 1627 B17R2.19053 CCCCCNc1cccc2c1sc(c2)C 0c9d2c1c938344141fba23fdc646be0b [0,1,1,0,0,0|2,0,0]=4 1628 B17R2.19053 CCCCNCc1cccc2c1NC(=O)C2 a548514fda4b9059810c9778a36655d5 [0,1,1,0,0,0|1,0,1]=4 1629 B17R2.19053 CCCCNCc1cccc2c1nn(c2)C 59f1816e0534f0aaf17ab30e3321813c [0,1,1,0,0,0|2,0,0]=4 1630 B17R2.19053 CCCCNCc1cccc2c1sc(c2)C 13d0b7ef96876543d2f6b1ad861e4b85 [0,1,1,0,0,0|0,0,0]=2 1631 B17R2.19053 CCCCOCc1cccc2c1sc(c2)C 48842e9cd1c2c49ac972c5263271e5cc [0,1,1,0,0,0|1,0,0]=3 1632 B17R2.19053 COCCNCc1cccc2c1sc(c2)C 0149f1b2a6e642c44889561d8dfb44ab [0,1,1,0,0,0|1,0,0]=3 1633 B17R2.19053 COCCOCc1cccc2c1sc(c2)C 07bee2e5dfe987d60cf90ae1a933b359 [0,1,1,0,0,0|2,0,0]=4 1634 B17R2.19053 CSCCNCc1cccc2c1sc(c2)C e46c039a09c010303700649eb6d67ac2 [0,1,1,0,0,0|1,0,0]=3 1635 B17R2.19053 CSCCOCc1cccc2c1sc(c2)C 8e950f9e837f7accf20337e5532d5694 [0,1,1,0,0,0|2,0,0]=4 1636 B17R2.19053 Cc1cc2cccc(c2s1)CNCCC#N 40a47cf3687918f217edfcf0765362d8 [0,1,1,0,0,0|1,0,1]=4 1637 B17R2.19053 Cc1cc2cccc(c2s1)CNCCCCl 54a05b1d818104c731e331264a17da3f [0,1,1,0,0,0|1,0,0]=3 1638 B17R2.19053 Cc1cc2cccc(c2s1)CNCCCO 2400306c4a42175b442a98689dc93970 [0,1,1,0,0,0|1,0,0]=3 1639 B17R2.19053 Cc1cc2cccc(c2s1)CNCCON 670249536e43bd85bd600b260303ce3c [0,1,1,0,0,0|2,0,0]=4 1640 B17R2.19053 Cc1cc2cccc(c2s1)COCCCF fa9bb3bb9cb6d114823802bf0610437c [0,1,1,0,0,0|2,0,0]=4 1641 B17R2.19053 Cc1cc2cccc(c2s1)COCCCS 00a3a95decbaf21090032e691bea92cf [0,1,1,0,0,0|2,0,0]=4 1642 B17R2.19054 CCCCNCc1cccc2c1n(cc2)C ef7a3ef3bb60c98435b22f88f4f5dd6d [0,1,1,0,0,0|1,0,0]=3 1643 B17R2.19054 CCCCNCc1cccc2c1n(nc2)C baac6e1ae23b94ccf037fe954075cff7 [0,1,1,0,0,0|2,0,0]=4 1644 B17R2.19054 CCCCOCc1cccc2c1n(cc2)C 9b87149dff72cdf83dec39cec2088b02 [0,1,1,0,0,0|2,0,0]=4 1645 B17R2.19054 CCOCNCc1cccc2c1n(cc2)C 1d1195cc3959e447d8446dae08ef4a5a [0,1,1,0,0,0|2,0,0]=4 1646 B17R2.19054 COCCNCc1cccc2c1n(cc2)C 32498668a4776d3e7401af1ec1a50f87 [0,1,1,0,0,0|2,0,0]=4 1647 B17R2.19054 CSCCNCc1cccc2c1n(cc2)C d7ecd105fff45e52693d23f014463343 [0,1,1,0,0,0|2,0,0]=4 1648 B17R2.19054 Cn1ccc2c1c(ccc2)CNCCCF 4d8e9ff713af79294278f26281653030 [0,1,1,0,0,0|2,0,0]=4 1649 B17R2.19054 Cn1ccc2c1c(ccc2)CNCCCO 328b444977628737dce8e3bebd089b7e [0,1,1,0,0,0|2,0,0]=4 1650 B17R2.19054 Cn1ccc2c1c(ccc2)CNCCCS 1c3cf4ffd53d679502a7e74585f30942 [0,1,1,0,0,0|2,0,0]=4 1651 B17R2.44757 C/C(=C/CNCc1cccc2c1scc2)/I 5948ae9aacce61fa2dd95ae3d3de91ab [0,1,1,0,0,0|0,0,2]=4 1652 B17R2.44757 C/C(=C\CNCc1cccc2c1scc2)/Cl a9320b491fc1572f28db8aa09ac97935 [0,1,1,0,0,0|0,0,2]=4 1653 B17R2.44757 C=C(C)CCNCc1cccc2c1[nH]cc2 15dccca9a02393ea87523bfc537349b5 [0,1,1,0,0,0|1,0,1]=4 1654 B17R2.44757 C=C(C)CCNCc1cccc2c1occ2 95c2da3505eb374f4f0161704b50adc1 [0,1,1,0,0,0|0,1,1]=4 1655 B17R2.44757 C=C(C)CCNCc1cccc2c1scc2 6b39c9fd9f4fb160862d0788a58ccf49 [0,1,1,0,0,0|0,0,1]=3 1656 B17R2.44757 C=C(C)CCNCc1cccc2c1scn2 4c72a8b94d3ee8f86211efbd62ddf68e [0,1,1,0,0,0|1,0,1]=4 1657 B17R2.44757 C=C(C)CCOCc1cccc2c1scc2 8d932fb2ff652617cd6fd363478e6b95 [0,1,1,0,0,0|1,0,1]=4 1658 B17R2.44757 CC(=CCNCc1cccc2c1scc2)C 8b9158b4b6f46ea157403d3ec97cde7e [0,1,1,0,0,0|0,0,2]=4 1659 B17R2.44757 CC(=CCNCc1cccc2c1scc2)Cl 060bdebae83a429d2590c01ad79bb4bf [0,1,1,0,0,0|0,0,2]=4 1660 B17R2.44757 CC(=CCNCc1cccc2c1scc2)I 6d79fba53708d7ab41b5339ba2ae5dd1 [0,1,1,0,0,0|0,0,2]=4 1661 B17R2.44757 CC(=O)CCNCc1cccc2c1[nH]cc2 f0bddce8ac833d12e90419e6817a828f [0,1,1,0,0,0|1,0,1]=4 1662 B17R2.44757 CC(=O)CCNCc1cccc2c1occ2 50fae838e25e747ab9e96b08a24494ec [0,1,1,0,0,0|0,1,1]=4 1663 B17R2.44757 CC(=O)CCNCc1cccc2c1scc2 78cf0c758243077ab013d822be4e16a3 [0,1,1,0,0,0|0,0,1]=3 1664 B17R2.44757 CC(=O)CCNCc1cccc2c1scn2 6644086b32a3a969085ae2aaada2f533 [0,1,1,0,0,0|1,0,1]=4 1665 B17R2.44757 CC(=O)CCOCc1cccc2c1scc2 595e0b861e57e8f08a802ab85b56e2ad [0,1,1,0,0,0|1,0,1]=4 1666 B17R2.44757 CC(=O)OCNCc1cccc2c1scc2 cb86edafdf9ceebc8513c66ee67fe515 [0,1,1,0,0,0|1,0,1]=4 1667 B17R2.44757 CC(C)CCCNc1cccc2c1scc2 e797f0c41a591f685c7ab321aaa13ed2 [0,1,1,0,0,0|2,0,0]=4 1668 B17R2.44757 CC(C)CCCOc1cccc2c1scc2 8d8585f3ad48a542d8248c9df8846d06 [0,1,1,0,0,0|2,0,0]=4 1669 B17R2.44757 CC(C)CCNCc1cccc2c1[nH]cc2 059d16bd36f9aa6d3a337c0367a4e795 [0,1,1,0,0,0|1,0,0]=3 1670 B17R2.44757 CC(C)CCNCc1cccc2c1[nH]nc2 0c692abbedb46fb716f46f2260e6ecb0 [0,1,1,0,0,0|2,0,0]=4 1671 B17R2.44757 CC(C)CCNCc1cccc2c1cc[nH]2 2a8a3892612c29e03a628c4b201fee68 [0,1,1,0,0,0|2,0,0]=4 1672 B17R2.44757 CC(C)CCNCc1cccc2c1ccs2 04ce100466d05dbdfb224b65a44682e3 [0,1,1,0,0,0|2,0,0]=4 1673 B17R2.44757 CC(C)CCNCc1cccc2c1nco2 315eff286ad7bbac344801d8fb0d03d8 [0,1,1,0,0,0|2,0,0]=4 1674 B17R2.44757 CC(C)CCNCc1cccc2c1ncs2 11b3561f8050ceeb44a6db1b4a9b8df4 [0,1,1,0,0,0|2,0,0]=4 1675 B17R2.44757 CC(C)CCNCc1cccc2c1occ2 16b1c7cf3d6ee97ab70b531b965dbc08 [0,1,1,0,0,0|0,1,0]=3 1676 B17R2.44757 CC(C)CCNCc1cccc2c1ocn2 b79af5d4e6627bb2f2df97a243dd6539 [0,1,1,0,0,0|1,1,0]=4 1677 B17R2.44757 CC(C)CCNCc1cccc2c1scc2 378c7fb3a964484dfe69b204e137913f [0,1,1,0,0,0|0,0,0]=2 1678 B17R2.44757 CC(C)CCNCc1cccc2c1scn2 746bf6552b6134a642bb9e2ca01714dd [0,1,1,0,0,0|1,0,0]=3 1679 B17R2.44757 CC(C)CCNCc1cccc2n1ncc2 2129b27c94329717958833139c774be4 [0,1,1,0,0,0|2,0,0]=4 1680 B17R2.44757 CC(C)CCNCc1cccn2c1ncc2 ca741fbf39dda19e1e10dd1fc265f456 [0,1,1,0,0,0|2,0,0]=4 1681 B17R2.44757 CC(C)CCOCc1cccc2c1[nH]cc2 f99bb79be20aaebf0b10c2113e0955aa [0,1,1,0,0,0|2,0,0]=4 1682 B17R2.44757 CC(C)CCOCc1cccc2c1occ2 345c6cf700498dccca85e737d4b5c4d1 [0,1,1,0,0,0|1,1,0]=4 1683 B17R2.44757 CC(C)CCOCc1cccc2c1scc2 2696440533c7f7622cce5cadae975bb0 [0,1,1,0,0,0|1,0,0]=3 1684 B17R2.44757 CC(C)CCOCc1cccc2c1scn2 04b86efbe273f78a0e49ba2398187b3f [0,1,1,0,0,0|2,0,0]=4 1685 B17R2.44757 CC(C)OCNCc1cccc2c1[nH]cc2 20a09ffb5429a430bb99befea56f741a [0,1,1,0,0,0|2,0,0]=4 1686 B17R2.44757 CC(C)OCNCc1cccc2c1occ2 6165fc5e64e8b100dbf805c9bd90272e [0,1,1,0,0,0|1,1,0]=4 1687 B17R2.44757 CC(C)OCNCc1cccc2c1scc2 992df55e2450bcf51f01c69f9fda2c20 [0,1,1,0,0,0|1,0,0]=3 1688 B17R2.44757 CC(C)OCNCc1cccc2c1scn2 36537cbdd41e416fbe8fa8b3ec2211f5 [0,1,1,0,0,0|2,0,0]=4 1689 B17R2.44757 CC(O)CCNCc1cccc2c1[nH]cc2 8f9e2d3852929bfff1d36f23c4ed1e71 [0,1,1,0,0,0|1,0,0]=3 1690 B17R2.44757 CC(O)CCNCc1cccc2c1[nH]nc2 68a036a5f6f921e512ea98f960044aea [0,1,1,0,0,0|2,0,0]=4 1691 B17R2.44757 CC(O)CCNCc1cccc2c1cc[nH]2 82ab91de69d659211ba3d9976738a43b [0,1,1,0,0,0|2,0,0]=4 1692 B17R2.44757 CC(O)CCNCc1cccc2c1ccs2 f17b5f2d9357dce245195c10878e58af [0,1,1,0,0,0|2,0,0]=4 1693 B17R2.44757 CC(O)CCNCc1cccc2c1nco2 5a5a6598158191734d2b96d0a12bf474 [0,1,1,0,0,0|2,0,0]=4 1694 B17R2.44757 CC(O)CCNCc1cccc2c1ncs2 e696bdab0da2cf21beb0d9ef545bd71d [0,1,1,0,0,0|2,0,0]=4 1695 B17R2.44757 CC(O)CCNCc1cccc2c1occ2 76820bf459f89ebc329359adccf8420d [0,1,1,0,0,0|0,1,0]=3 1696 B17R2.44757 CC(O)CCNCc1cccc2c1ocn2 6452e4364aa8079fc48e7b624319d106 [0,1,1,0,0,0|1,1,0]=4 1697 B17R2.44757 CC(O)CCNCc1cccc2c1scc2 3fc84656b036edfe2e84097ebe7d8737 [0,1,1,0,0,0|0,0,0]=2 1698 B17R2.44757 CC(O)CCNCc1cccc2c1scn2 ea53d1f8879ce9394fa1401c55e94a73 [0,1,1,0,0,0|1,0,0]=3 1699 B17R2.44757 CC(O)CCNCc1cccc2n1ncc2 bba09fea943856551cdde77b8093c1e4 [0,1,1,0,0,0|2,0,0]=4 1700 B17R2.44757 CC(O)CCNCc1cccn2c1ncc2 00c8fbd158de9d5d819fefe5bdb48684 [0,1,1,0,0,0|2,0,0]=4 1701 B17R2.44757 CN(C)CCNCc1cccc2c1[nH]cc2 c78d41c0cdc78efbabaf81faa13d32d8 [0,1,1,0,0,0|2,0,0]=4 1702 B17R2.44757 CN(C)CCNCc1cccc2c1occ2 a33b1aaa55427c2afab06cb3d5c35088 [0,1,1,0,0,0|1,1,0]=4 1703 B17R2.44757 CN(C)CCNCc1cccc2c1scc2 437c23df9924f6564f27ab05e5aa2bff [0,1,1,0,0,0|1,0,0]=3 1704 B17R2.44757 CN(C)CCNCc1cccc2c1scn2 88d44e97b2ea854687db06b69771e1ea [0,1,1,0,0,0|2,0,0]=4 1705 B17R2.44757 CN(C)CCOCc1cccc2c1scc2 4820064236260f823c50d7cb57d4ca1c [0,1,1,0,0,0|2,0,0]=4 1706 B17R2.44757 CS(=O)CCNCc1cccc2c1[nH]cc2 b4b80ef3960d4ba3050899eb301ac0bb [0,1,1,0,0,0|2,0,0]=4 1707 B17R2.44757 CS(=O)CCNCc1cccc2c1occ2 967dd08fc6d845b560538f3dc68e5515 [0,1,1,0,0,0|1,1,0]=4 1708 B17R2.44757 CS(=O)CCNCc1cccc2c1scc2 04d088e28cec5e7844e6989aeeed05ba [0,1,1,0,0,0|1,0,0]=3 1709 B17R2.44757 CS(=O)CCNCc1cccc2c1scn2 9a32fa0069f9f7e0ff306dc88c38fd3e [0,1,1,0,0,0|2,0,0]=4 1710 B17R2.44757 CS(=O)CCOCc1cccc2c1scc2 b78d2e5c4a4004094e5ba1caa2f63eb0 [0,1,1,0,0,0|2,0,0]=4 1711 B17R2.44757 C[C@@H](O)CCNCc1cccc2c1[nH]nc2 3be3625d95f325569b7344a94802d96a [0,1,1,0,0,0|2,0,0]=4 1712 B17R2.44757 C[C@@H](O)CCNCc1cccc2c1ccs2 009fb54dc0b422a489f88e35c31c33b5 [0,1,1,0,0,0|2,0,0]=4 1713 B17R2.44757 C[C@@H](O)CCNCc1cccc2c1nco2 f203b5a43781d063ba99a3cadb93a0c9 [0,1,1,0,0,0|2,0,0]=4 1714 B17R2.44757 C[C@@H](O)CCNCc1cccc2c1ncs2 5d966be03b9692f3c35e1d31dd57c1a6 [0,1,1,0,0,0|2,0,0]=4 1715 B17R2.44757 C[C@@H](O)CCNCc1cccc2c1ocn2 1af74efa98ed81688a266d7f1b5f6fe0 [0,1,1,0,0,0|1,1,0]=4 1716 B17R2.44757 C[C@@H](O)CCNCc1cccc2c1scc2 e03b66db481ad2485888096ce0b07689 [0,1,1,0,0,0|0,0,0]=2 1717 B17R2.44757 C[C@@H](O)CCNCc1cccc2n1ncc2 2891bc68085fc0df57228b120a8b6b66 [0,1,1,0,0,0|2,0,0]=4 1718 B17R2.44757 C[C@H](O)CCNCc1cccc2c1[nH]nc2 acda13aab14189d8e01c3fd4b244ef8e [0,1,1,0,0,0|2,0,0]=4 1719 B17R2.44757 C[C@H](O)CCNCc1cccc2c1ccs2 ff134bef44aa98bf39e68e8fcd7099d4 [0,1,1,0,0,0|2,0,0]=4 1720 B17R2.44757 C[C@H](O)CCNCc1cccc2c1nco2 4f4c5af07cadb1f99d00c16bcb0da42b [0,1,1,0,0,0|2,0,0]=4 1721 B17R2.44757 C[C@H](O)CCNCc1cccc2c1ncs2 6bd856b28289a468b0be87bcfb0a37d3 [0,1,1,0,0,0|2,0,0]=4 1722 B17R2.44757 C[C@H](O)CCNCc1cccc2c1ocn2 8556fd8ba095c4d26d24f4456253a326 [0,1,1,0,0,0|1,1,0]=4 1723 B17R2.44757 C[C@H](O)CCNCc1cccc2c1scc2 ffc224f769af1c581223febef00d6995 [0,1,1,0,0,0|0,0,0]=2 1724 B17R2.44757 C[C@H](O)CCNCc1cccc2n1ncc2 1f8ded2d651a6f752f6f3eee8a6854ce [0,1,1,0,0,0|2,0,0]=4 1725 B17R2.44757 FC(F)CCNCc1cccc2c1scc2 22754125b867801b30b97659e79aec9e [0,1,1,0,0,0|1,0,0]=3 1726 B17R2.44757 FC(F)CCNCc1cccc2c1scn2 9260f838988523796cb5e70a3f96c453 [0,1,1,0,0,0|2,0,0]=4 1727 B17R2.44757 FC(F)CCOCc1cccc2c1scc2 273cf5ff05e37a50f47fcc3e644a1b6c [0,1,1,0,0,0|2,0,0]=4 1728 B17R2.44757 NC(=O)CCNCc1cccc2c1scc2 9952c71a2ed339138711383286cb005e [0,1,1,0,0,0|1,0,1]=4 1729 B17R2.44757 NC(=S)CCNCc1cccc2c1scc2 219940ea24f8e36fdd70ab871dbcfa13 [0,1,1,0,0,0|1,0,1]=4 1730 B17R2.44757 O=C(O)CCNCc1cccc2c1scc2 bb2f5daa80103603f0be7519df709378 [0,1,1,0,0,0|1,0,1]=4 1731 B17R2.44757 O=S(O)CCNCc1cccc2c1scc2 3087d029f44dee58f652914ff7d07696 [0,1,1,0,0,0|2,0,0]=4 1732 B17R2.46852 CCCCCNc1ccc(c2c1scc2)F 69e96cf2bf8492e43861490eb192e292 [0,1,1,0,0,0|2,0,0]=4 1733 B17R2.46861 CCCCCNc1cc(cc2c1scc2)C 18b96d82eb64d1a58d6f03145c3eff88 [0,1,1,0,0,0|2,0,0]=4 1734 B17R2.46861 CCCCNCc1cc(cc2c1cc[nH]2)F b898b63d491793aa7c53a5a4a5621328 [0,1,1,0,0,0|2,0,0]=4 1735 B17R2.60842 BrCC(Br)CNCc1cccc2c1scc2 c14126dbd0a43bfbb16e15d504e624c8 [0,1,1,0,0,0|1,0,0]=3 1736 B17R2.60842 BrCC(Br)CNCc1cccc2c1scn2 04979a1af121420a92985d0eba463676 [0,1,1,0,0,0|2,0,0]=4 1737 B17R2.60842 BrCC(Br)COCc1cccc2c1scc2 4b87b9ce8ce1f92da0a7282629855cbc [0,1,1,0,0,0|2,0,0]=4 1738 B17R2.60842 C=C(CC)CNCc1cccc2c1[nH]cc2 f727397f83e0a7f9e16f9e0ab18c5794 [0,1,1,0,0,0|1,0,1]=4 1739 B17R2.60842 C=C(CC)CNCc1cccc2c1occ2 370bafd69e868624583e4b0b1ccb32b9 [0,1,1,0,0,0|0,1,1]=4 1740 B17R2.60842 C=C(CC)CNCc1cccc2c1scc2 c5df62580c349f89e3a7d7addb8c1f9d [0,1,1,0,0,0|0,0,1]=3 1741 B17R2.60842 C=C(CC)CNCc1cccc2c1scn2 1a8233086590ee17636941bb297459ff [0,1,1,0,0,0|1,0,1]=4 1742 B17R2.60842 C=C(CC)COCc1cccc2c1scc2 4f74fd39aaf2ad69e3e52538fff43129 [0,1,1,0,0,0|1,0,1]=4 1743 B17R2.60842 C=C(CNCc1cccc2c1scc2)OC e79bd7ebe01fd51bc86b9f0f310660a5 [0,1,1,0,0,0|1,0,1]=4 1744 B17R2.60842 C=C(CO)CNCc1cccc2c1scc2 bbeed046574cbdc1fbb90335c391c953 [0,1,1,0,0,0|1,0,1]=4 1745 B17R2.60842 C=CC(O)CNCc1cccc2c1scc2 c9c3b51d57687a33175f46fe49848963 [0,1,1,0,0,0|0,0,2]=4 1746 B17R2.60842 CC(C#N)CNCc1cccc2c1scc2 5c65a29d90392df93fdaac7cd0ccde0e [0,1,1,0,0,0|1,0,1]=4 1747 B17R2.60842 CC(CO)CNCc1cccc2c1[nH]cc2 850079726be65fdcf8be2951a7e5e885 [0,1,1,0,0,0|2,0,0]=4 1748 B17R2.60842 CC(CO)CNCc1cccc2c1occ2 5a73b2c3467dd46cb2b9a862e5d5a9a9 [0,1,1,0,0,0|1,1,0]=4 1749 B17R2.60842 CC(CO)CNCc1cccc2c1scc2 374f52f3c3600ed7d3e0d2e793f927d4 [0,1,1,0,0,0|1,0,0]=3 1750 B17R2.60842 CC(CO)CNCc1cccc2c1scn2 b5c746e204e6a0ec5e58b44b3d409bb0 [0,1,1,0,0,0|2,0,0]=4 1751 B17R2.60842 CCC(=O)CNCc1cccc2c1[nH]cc2 6cd4a292977067f5b2b87bc0683d17a4 [0,1,1,0,0,0|1,0,1]=4 1752 B17R2.60842 CCC(=O)CNCc1cccc2c1occ2 482f7477f8e2b8e892ae221b69ca864b [0,1,1,0,0,0|0,1,1]=4 1753 B17R2.60842 CCC(=O)CNCc1cccc2c1scc2 ae9ba402feba1903f4a30ac4775da517 [0,1,1,0,0,0|0,0,1]=3 1754 B17R2.60842 CCC(=O)CNCc1cccc2c1scn2 c946aea035ef8515081c7c1dab35d8fb [0,1,1,0,0,0|1,0,1]=4 1755 B17R2.60842 CCC(=O)COCc1cccc2c1scc2 72d3bf2f713ce3027b102353b07b9b78 [0,1,1,0,0,0|1,0,1]=4 1756 B17R2.60842 CCC(C)CCNc1cccc2c1scc2 25fa167337343c35a0473286cbd9c8cb [0,1,1,0,0,0|2,0,0]=4 1757 B17R2.60842 CCC(C)CCOc1cccc2c1scc2 2271a995038a5893a89d8402b0e5b5b1 [0,1,1,0,0,0|2,0,0]=4 1758 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]cc2 f5f5b9ddf657ce6c5c5aa758d872fcea [0,1,1,0,0,0|1,0,0]=3 1759 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]nc2 1e1667474e5439b358515c07ae7107f1 [0,1,1,0,0,0|2,0,0]=4 1760 B17R2.60842 CCC(C)CNCc1cccc2c1cc[nH]2 7b00919f137f1d319c7d82b43b3f683a [0,1,1,0,0,0|2,0,0]=4 1761 B17R2.60842 CCC(C)CNCc1cccc2c1ccs2 4e9c5eceed27cf195bda5a14ab285ab3 [0,1,1,0,0,0|2,0,0]=4 1762 B17R2.60842 CCC(C)CNCc1cccc2c1nco2 3750c1aeeef5dc4a4a6981551340d25a [0,1,1,0,0,0|2,0,0]=4 1763 B17R2.60842 CCC(C)CNCc1cccc2c1ncs2 46b7a2dde179b173687c209e2daa1dde [0,1,1,0,0,0|2,0,0]=4 1764 B17R2.60842 CCC(C)CNCc1cccc2c1occ2 cdb9aa6e018eb2bf398579c853439b67 [0,1,1,0,0,0|0,1,0]=3 1765 B17R2.60842 CCC(C)CNCc1cccc2c1ocn2 608c6a117a32eb9f70309a2ebe263c36 [0,1,1,0,0,0|1,1,0]=4 1766 B17R2.60842 CCC(C)CNCc1cccc2c1scc2 abbf3a793983a384d146f203d110523b [0,1,1,0,0,0|0,0,0]=2 1767 B17R2.60842 CCC(C)CNCc1cccc2c1scn2 f543aff55c7e706718c88d343f0be0ef [0,1,1,0,0,0|1,0,0]=3 1768 B17R2.60842 CCC(C)CNCc1cccc2n1ncc2 ff55c3f263cd860b4c6f88756032bd1d [0,1,1,0,0,0|2,0,0]=4 1769 B17R2.60842 CCC(C)CNCc1cccn2c1ncc2 3557bf2ef4c3bcb3bcaf00830af94344 [0,1,1,0,0,0|2,0,0]=4 1770 B17R2.60842 CCC(C)COCc1cccc2c1[nH]cc2 f8a3506618e082efda793e55dcc960b4 [0,1,1,0,0,0|2,0,0]=4 1771 B17R2.60842 CCC(C)COCc1cccc2c1occ2 a76f515a3f61592b139c79cb5c0d59c4 [0,1,1,0,0,0|1,1,0]=4 1772 B17R2.60842 CCC(C)COCc1cccc2c1scc2 4afddb6a95eba2df5f5cebf410994247 [0,1,1,0,0,0|1,0,0]=3 1773 B17R2.60842 CCC(C)COCc1cccc2c1scn2 7e0f30c7bdf0c8d2b96e173ff7e3800f [0,1,1,0,0,0|2,0,0]=4 1774 B17R2.60842 CCC(O)CNCc1cccc2c1[nH]cc2 6269777d1c9b4755bc448d4aedd9d80a [0,1,1,0,0,0|1,0,0]=3 1775 B17R2.60842 CCC(O)CNCc1cccc2c1[nH]nc2 7eec9f0474548dcf31f248fecdbc5fdb [0,1,1,0,0,0|2,0,0]=4 1776 B17R2.60842 CCC(O)CNCc1cccc2c1cc[nH]2 a87025f047f15a61b2dfee114bae1305 [0,1,1,0,0,0|2,0,0]=4 1777 B17R2.60842 CCC(O)CNCc1cccc2c1ccs2 9267b31e0901530e535b5ba9d541b663 [0,1,1,0,0,0|2,0,0]=4 1778 B17R2.60842 CCC(O)CNCc1cccc2c1nco2 538e7ba03f73c4f15672e574f86b84a2 [0,1,1,0,0,0|2,0,0]=4 1779 B17R2.60842 CCC(O)CNCc1cccc2c1ncs2 c28365c62a9c704864e6b6cf170e7780 [0,1,1,0,0,0|2,0,0]=4 1780 B17R2.60842 CCC(O)CNCc1cccc2c1occ2 2c6add792eaa5d9a5e4905100a49d322 [0,1,1,0,0,0|0,1,0]=3 1781 B17R2.60842 CCC(O)CNCc1cccc2c1ocn2 6f9b99162d764381033ccd67cedd5048 [0,1,1,0,0,0|1,1,0]=4 1782 B17R2.60842 CCC(O)CNCc1cccc2c1scc2 2be603e0167a10f4fe8df2c487bcf585 [0,1,1,0,0,0|0,0,0]=2 1783 B17R2.60842 CCC(O)CNCc1cccc2c1scn2 eb48fd0b9717b9eb68a8338b0a80c3cf [0,1,1,0,0,0|1,0,0]=3 1784 B17R2.60842 CCC(O)CNCc1cccc2n1ncc2 b95a5bb7cc42b3cca6968ebf321e5b58 [0,1,1,0,0,0|2,0,0]=4 1785 B17R2.60842 CCC(O)CNCc1cccn2c1ncc2 2d731bfd41f643775bc2df2ae13a94e9 [0,1,1,0,0,0|2,0,0]=4 1786 B17R2.60842 CC[C@@H](C)CNCc1cccc2c1[nH]cc2 7157e6fa38818b881fa5926590e93f11 [0,1,1,0,0,0|1,0,0]=3 1787 B17R2.60842 CC[C@@H](C)CNCc1cccc2c1[nH]nc2 de669ac8f4b5133e7ee2f584a3e70c05 [0,1,1,0,0,0|2,0,0]=4 1788 B17R2.60842 CC[C@@H](C)CNCc1cccc2c1cc[nH]2 d0b4482c1de647bc69282fede88f059d [0,1,1,0,0,0|2,0,0]=4 1789 B17R2.60842 CC[C@@H](C)CNCc1cccc2c1ccs2 c79c43ae07115affeee54500421b2e29 [0,1,1,0,0,0|2,0,0]=4 1790 B17R2.60842 CC[C@@H](C)CNCc1cccc2c1occ2 1f12cb83d892bf07763cf9ecf1437765 [0,1,1,0,0,0|0,1,0]=3 1791 B17R2.60842 CC[C@@H](C)CNCc1cccc2c1scc2 10d5110b3b130d5fe9b56ee3ae929be7 [0,1,1,0,0,0|0,0,0]=2 1792 B17R2.60842 CC[C@@H](C)CNCc1cccc2c1scn2 3cb0427b6179f319d6840fade151e72a [0,1,1,0,0,0|1,0,0]=3 1793 B17R2.60842 CC[C@@H](C)CNCc1cccc2n1ncc2 08348bc063b824a8360172394acb2f0b [0,1,1,0,0,0|2,0,0]=4 1794 B17R2.60842 CC[C@@H](C)CNCc1cccn2c1ncc2 91f78975b322a266a403b3a36e99124d [0,1,1,0,0,0|2,0,0]=4 1795 B17R2.60842 CC[C@@H](C)COCc1cccc2c1[nH]cc2 956a9984392592688f4e2ec1f5eb3654 [0,1,1,0,0,0|2,0,0]=4 1796 B17R2.60842 CC[C@@H](C)COCc1cccc2c1occ2 a42d0dc0afa367e4a892d9c328533cad [0,1,1,0,0,0|1,1,0]=4 1797 B17R2.60842 CC[C@@H](C)COCc1cccc2c1scc2 7f87e541164bda92ea6c60cbd2e622d7 [0,1,1,0,0,0|1,0,0]=3 1798 B17R2.60842 CC[C@@H](C)COCc1cccc2c1scn2 e16febc036497e156585d8bb5dad9de3 [0,1,1,0,0,0|2,0,0]=4 1799 B17R2.60842 CC[C@@H](O)CNCc1cccc2c1ccs2 e970ae20ddebccf182401045472cdf06 [0,1,1,0,0,0|2,0,0]=4 1800 B17R2.60842 CC[C@@H](O)CNCc1cccc2c1nco2 f212d7e208679b28e1d5ad58d57197ee [0,1,1,0,0,0|2,0,0]=4 1801 B17R2.60842 CC[C@@H](O)CNCc1cccc2c1ncs2 bee93c36bfbcc1dbc41a8cea8958a3fe [0,1,1,0,0,0|2,0,0]=4 1802 B17R2.60842 CC[C@@H](O)CNCc1cccc2c1ocn2 97eae8de2f3a60261863b2fb696cb30f [0,1,1,0,0,0|1,1,0]=4 1803 B17R2.60842 CC[C@@H](O)CNCc1cccc2c1scc2 b8acef904da1bc2c3e86021afdcf06f0 [0,1,1,0,0,0|0,0,0]=2 1804 B17R2.60842 CC[C@@H](O)CNCc1cccc2n1ncc2 d1692df9892cfbbc8e9954ae43af9a9d [0,1,1,0,0,0|2,0,0]=4 1805 B17R2.60842 CC[C@H](C)CNCc1cccc2c1[nH]cc2 9e0bec281fd675bbb486644d1b5b3694 [0,1,1,0,0,0|1,0,0]=3 1806 B17R2.60842 CC[C@H](C)CNCc1cccc2c1[nH]nc2 35519a847837600a71dde5e0d61d9d8c [0,1,1,0,0,0|2,0,0]=4 1807 B17R2.60842 CC[C@H](C)CNCc1cccc2c1cc[nH]2 9d5bb8495b7169d80cbd9b7f43b98074 [0,1,1,0,0,0|2,0,0]=4 1808 B17R2.60842 CC[C@H](C)CNCc1cccc2c1ccs2 629702b54ba377ffa99d7ee7466f34e8 [0,1,1,0,0,0|2,0,0]=4 1809 B17R2.60842 CC[C@H](C)CNCc1cccc2c1nco2 9365271a65b609a1cd2a9eeff3877f65 [0,1,1,0,0,0|2,0,0]=4 1810 B17R2.60842 CC[C@H](C)CNCc1cccc2c1ncs2 27e5919e4f6b4978fc7a05bffa459479 [0,1,1,0,0,0|2,0,0]=4 1811 B17R2.60842 CC[C@H](C)CNCc1cccc2c1occ2 2b9131914821d02ee2f971c0c4f41ffe [0,1,1,0,0,0|0,1,0]=3 1812 B17R2.60842 CC[C@H](C)CNCc1cccc2c1ocn2 43b5f7700ad93b9b29d4f3b442a74df6 [0,1,1,0,0,0|1,1,0]=4 1813 B17R2.60842 CC[C@H](C)CNCc1cccc2c1scc2 911e89588db4551554e0131d2b7545f6 [0,1,1,0,0,0|0,0,0]=2 1814 B17R2.60842 CC[C@H](C)CNCc1cccc2c1scn2 4088e5b20c0460684530158684966f48 [0,1,1,0,0,0|1,0,0]=3 1815 B17R2.60842 CC[C@H](C)CNCc1cccc2n1ncc2 cfecbdee110b1a42488aa38b171f96b7 [0,1,1,0,0,0|2,0,0]=4 1816 B17R2.60842 CC[C@H](C)CNCc1cccn2c1ncc2 2ea059f9c9b4d23896a3635bdf74f4fc [0,1,1,0,0,0|2,0,0]=4 1817 B17R2.60842 CC[C@H](C)COCc1cccc2c1[nH]cc2 d8ad9532aeb529e82807b16fdd56c772 [0,1,1,0,0,0|2,0,0]=4 1818 B17R2.60842 CC[C@H](C)COCc1cccc2c1occ2 993933244911e72f4771e4177d505447 [0,1,1,0,0,0|1,1,0]=4 1819 B17R2.60842 CC[C@H](C)COCc1cccc2c1scc2 a579cc140fa1e20622ea0b551a6c1665 [0,1,1,0,0,0|1,0,0]=3 1820 B17R2.60842 CC[C@H](C)COCc1cccc2c1scn2 047cdba1311e3bed17824e480a76f16f [0,1,1,0,0,0|2,0,0]=4 1821 B17R2.60842 CNC(=O)CNCc1cccc2c1scc2 38e366ae6a6ea62a1672f24e45b58c3c [0,1,1,0,0,0|1,0,1]=4 1822 B17R2.60842 COC(=O)CNCc1cccc2c1scc2 75cd0af3c5cd31154c00c04a0b24eb09 [0,1,1,0,0,0|1,0,1]=4 1823 B17R2.60842 COC(C)CNCc1cccc2c1[nH]cc2 b5df471bf7e1671afe2778131f4012b6 [0,1,1,0,0,0|2,0,0]=4 1824 B17R2.60842 COC(C)CNCc1cccc2c1occ2 6bc15ac794bd9ebb416bd26aaff52685 [0,1,1,0,0,0|1,1,0]=4 1825 B17R2.60842 COC(C)CNCc1cccc2c1scc2 d4c61c617a45302d44172914400b9a17 [0,1,1,0,0,0|1,0,0]=3 1826 B17R2.60842 COC(C)CNCc1cccc2c1scn2 bb2d5dfae4612c1344e5078f90c13dcd [0,1,1,0,0,0|2,0,0]=4 1827 B17R2.60842 COC(C)COCc1cccc2c1scc2 2d4a40c7027a2362d50fb5d907ced6cf [0,1,1,0,0,0|2,0,0]=4 1828 B17R2.60842 CO[C@@H](C)CNCc1cccc2c1[nH]cc2 313aaa52c381369943f23d52d923d3ed [0,1,1,0,0,0|2,0,0]=4 1829 B17R2.60842 CO[C@@H](C)CNCc1cccc2c1occ2 9a0c44d03507bf038a21eb5429f8d03c [0,1,1,0,0,0|1,1,0]=4 1830 B17R2.60842 CO[C@@H](C)CNCc1cccc2c1scc2 d43969b42fb6cfd938f94b9b85fa288d [0,1,1,0,0,0|1,0,0]=3 1831 B17R2.60842 CO[C@@H](C)CNCc1cccc2c1scn2 58ac82772b4435f394e46ed0653c050c [0,1,1,0,0,0|2,0,0]=4 1832 B17R2.60842 CO[C@@H](C)COCc1cccc2c1scc2 b6791e61d21b6f5365ee54186596223a [0,1,1,0,0,0|2,0,0]=4 1833 B17R2.60842 CO[C@H](C)CNCc1cccc2c1[nH]cc2 22efed0f71fecd5cdf9f8e0c995af5f8 [0,1,1,0,0,0|2,0,0]=4 1834 B17R2.60842 CO[C@H](C)CNCc1cccc2c1occ2 14e8dc16e7a92956d3737339238cc67e [0,1,1,0,0,0|1,1,0]=4 1835 B17R2.60842 CO[C@H](C)CNCc1cccc2c1scc2 c81fe1668d3fc68d0125001a203fa438 [0,1,1,0,0,0|1,0,0]=3 1836 B17R2.60842 CO[C@H](C)CNCc1cccc2c1scn2 90eb26ca61348d6a81a9987fcec3e223 [0,1,1,0,0,0|2,0,0]=4 1837 B17R2.60842 CO[C@H](C)COCc1cccc2c1scc2 604f8213f6d36a6abb4b45bca8815708 [0,1,1,0,0,0|2,0,0]=4 1838 B17R2.60842 C[C@@H](CO)CNCc1cccc2c1[nH]cc2 5b9f279a25e52af7574dff370881569d [0,1,1,0,0,0|2,0,0]=4 1839 B17R2.60842 C[C@@H](CO)CNCc1cccc2c1occ2 a592246eaf00bb65764b984f61ef9b4c [0,1,1,0,0,0|1,1,0]=4 1840 B17R2.60842 C[C@@H](CO)CNCc1cccc2c1scc2 27617a0f5fdf32c8bcb9d75104815d0e [0,1,1,0,0,0|1,0,0]=3 1841 B17R2.60842 C[C@@H](CO)CNCc1cccc2c1scn2 9be589acc7745ce957cfc4849cd45ebf [0,1,1,0,0,0|2,0,0]=4 1842 B17R2.60842 C[C@H](CO)CNCc1cccc2c1[nH]cc2 5dca472d21d27ae4875cee50b5b1c121 [0,1,1,0,0,0|2,0,0]=4 1843 B17R2.60842 C[C@H](CO)CNCc1cccc2c1occ2 9b904390d3196dc3ae67ebad47725d78 [0,1,1,0,0,0|1,1,0]=4 1844 B17R2.60842 C[C@H](CO)CNCc1cccc2c1scc2 e11892db5dac707f48cea727d5158d02 [0,1,1,0,0,0|1,0,0]=3 1845 B17R2.60842 C[C@H](CO)CNCc1cccc2c1scn2 323daf853cbe2c9e609ca7fab7f1cc5f [0,1,1,0,0,0|2,0,0]=4 1846 B17R2.60842 ClCC(Cl)COCc1cccc2c1scc2 d09118a74d1395c1a9f7f43e681318fa [0,1,1,0,0,0|2,0,0]=4 1847 B17R2.60842 O=C(CO)CNCc1cccc2c1scc2 cb5cadbc2e945e61685159cca927d0b9 [0,1,1,0,0,0|1,0,1]=4 1848 B17R2.60842 OC(CF)CNCc1cccc2c1[nH]cc2 c746c85ea630455d8c6df0507cbdb61a [0,1,1,0,0,0|2,0,0]=4 1849 B17R2.60842 OC(CF)CNCc1cccc2c1occ2 e20b12fed739bcd48d4bd1ba1492cec8 [0,1,1,0,0,0|1,1,0]=4 1850 B17R2.60842 OC(CF)CNCc1cccc2c1scc2 c2ae92d3889cecb86a09174de2f9d7a9 [0,1,1,0,0,0|1,0,0]=3 1851 B17R2.60842 OC(CF)CNCc1cccc2c1scn2 760a2cd28a28a2bbf5114042c0a839a3 [0,1,1,0,0,0|2,0,0]=4 1852 B17R2.60842 OCC(F)CNCc1cccc2c1scc2 08f1b311254bbcf6501d75eb2329f763 [0,1,1,0,0,0|1,0,0]=3 1853 B17R2.60842 OCC(F)CNCc1cccc2c1scn2 0248445e62dce40046316a9b8cae7650 [0,1,1,0,0,0|2,0,0]=4 1854 B17R2.60842 OCC(O)CNCc1cccc2c1[nH]cc2 52c0afdd4b393d55ae4cb83c7bba8343 [0,1,1,0,0,0|2,0,0]=4 1855 B17R2.60842 OCC(O)CNCc1cccc2c1occ2 664d9a64ab48de990d392a1a1ba308e7 [0,1,1,0,0,0|1,1,0]=4 1856 B17R2.60842 OCC(O)CNCc1cccc2c1scc2 dc9288eca065b16ccb8d5125aa6b1896 [0,1,1,0,0,0|1,0,0]=3 1857 B17R2.60842 OCC(O)CNCc1cccc2c1scn2 78f6dc580bc2d0e24ee52afc9813f00c [0,1,1,0,0,0|2,0,0]=4 1858 B17R2.60842 OCC(O)COCc1cccc2c1scc2 e698db5e33033743d85318107a6d0131 [0,1,1,0,0,0|2,0,0]=4 1859 B17R2.60842 OC[C@@H](F)CNCc1cccc2c1scc2 0e15636889edafc5caa39a62704766a0 [0,1,1,0,0,0|1,0,0]=3 1860 B17R2.60842 OC[C@@H](F)CNCc1cccc2c1scn2 b83a6cdb2dcd9df1bf02dd8433864669 [0,1,1,0,0,0|2,0,0]=4 1861 B17R2.60842 OC[C@@H](O)CNCc1cccc2c1[nH]cc2 1539dc03ebdbe73ef5dca6910c5a1ea8 [0,1,1,0,0,0|2,0,0]=4 1862 B17R2.60842 OC[C@@H](O)CNCc1cccc2c1occ2 2c2f7dd95c7b6f230bcf9d1df3e7a4fa [0,1,1,0,0,0|1,1,0]=4 1863 B17R2.60842 OC[C@@H](O)CNCc1cccc2c1scc2 b0e19d8ea7e17c25e204757549c2e8a3 [0,1,1,0,0,0|1,0,0]=3 1864 B17R2.60842 OC[C@@H](O)CNCc1cccc2c1scn2 abbb04d71fbee3c6f99127717066eb02 [0,1,1,0,0,0|2,0,0]=4 1865 B17R2.60842 OC[C@@H](O)COCc1cccc2c1scc2 e599160e1f093f89e70b0d101fcdf553 [0,1,1,0,0,0|2,0,0]=4 1866 B17R2.60842 OC[C@H](F)CNCc1cccc2c1scc2 2fa9de2f8f9a30156cf58b050ca312fb [0,1,1,0,0,0|1,0,0]=3 1867 B17R2.60842 OC[C@H](F)CNCc1cccc2c1scn2 214202a96d16be996a4735746327767d [0,1,1,0,0,0|2,0,0]=4 1868 B17R2.60842 OC[C@H](O)CNCc1cccc2c1[nH]cc2 c3e923c677fa37cb101bac1268ea8e4c [0,1,1,0,0,0|2,0,0]=4 1869 B17R2.60842 OC[C@H](O)CNCc1cccc2c1occ2 10808844061a9d89e51599ed787e1fc1 [0,1,1,0,0,0|1,1,0]=4 1870 B17R2.60842 OC[C@H](O)CNCc1cccc2c1scc2 58fc8d78cc75cf28524b9f5486046c8b [0,1,1,0,0,0|1,0,0]=3 1871 B17R2.60842 OC[C@H](O)CNCc1cccc2c1scn2 201d1f72c4bc51062e385872da7e38bd [0,1,1,0,0,0|2,0,0]=4 1872 B17R2.60842 OC[C@H](O)COCc1cccc2c1scc2 318665318053e085909fc2292e9fe3eb [0,1,1,0,0,0|2,0,0]=4 1873 B17R2.60842 SCC(S)COCc1cccc2c1scc2 5952614d16ef4d3ca0d0cc031997ec44 [0,1,1,0,0,0|2,0,0]=4 1874 B17R2.74423 C#CCCN(C)Cc1cccc2c1scc2 70c24916056264dc673a43ef7c21757b [0,1,1,0,0,0|0,0,2]=4 1875 B17R2.74423 C=CCCN(C)Cc1cccc2c1scc2 831ba868baf91221211cb5e5c3e087b0 [0,1,1,0,0,0|0,0,2]=4 1876 B17R2.74423 CCCCC(C)Oc1cccc2c1scc2 6f9cce76d97cdacb6815a9afbb5e1b60 [0,1,1,0,0,0|2,0,0]=4 1877 B17R2.74423 CCCCN(C)Cc1cccc2c1[nH]nc2 7d9891a03d0d077ab0c1985e30fe926e [0,1,1,0,0,0|2,0,0]=4 1878 B17R2.74423 CCCCN(C)Cc1cccc2c1cc[nH]2 668917ee81cfccaa4147c300ad1a961e [0,1,1,0,0,0|2,0,0]=4 1879 B17R2.74423 CCCCN(C)Cc1cccc2c1ccs2 52bb3aa078df6d1f21cbb261777ed3f9 [0,1,1,0,0,0|2,0,0]=4 1880 B17R2.74423 CCCCN(C)Cc1cccc2c1nco2 2f875a52f29aec30784f65316901b78e [0,1,1,0,0,0|2,0,0]=4 1881 B17R2.74423 CCCCN(C)Cc1cccc2c1ncs2 54e42df1af43b1275175c79fb5e1ebee [0,1,1,0,0,0|2,0,0]=4 1882 B17R2.74423 CCCCN(C)Cc1cccc2c1scc2 57fb73e42bca465791b05d56cf5f80fb [0,1,1,0,0,0|0,0,0]=2 1883 B17R2.74423 CCCCN(C)Cc1cccc2n1ncc2 4fcdc0e42deb83b2b8e7c5c99e12b2dc [0,1,1,0,0,0|2,0,0]=4 1884 B17R2.74423 CN(CCC#N)Cc1cccc2c1scc2 19bbd3889a7bed2edec510ed25a991e4 [0,1,1,0,0,0|1,0,1]=4 1885 B17R2.74423 CN(CCCO)Cc1cccc2c1scc2 90f0faf436f39f1d7ec92d286441a31d [0,1,1,0,0,0|1,0,0]=3 1886 B17R2.74423 CN(CCON)Cc1cccc2c1scc2 fd14a8e2d0a20ba66f520ae0afeb1216 [0,1,1,0,0,0|2,0,0]=4 1887 B17R2.74423 COCCN(C)Cc1cccc2c1scc2 1c66f4aa47a78a8e626e7dd029932b63 [0,1,1,0,0,0|1,0,0]=3 1888 B17R2.74423 CSCCN(C)Cc1cccc2c1scc2 b3507b8ad60f43c101dc5fd491214614 [0,1,1,0,0,0|1,0,0]=3 1889 B17R2.74946 CC(CC#N)NCc1cccc2c1scc2 7e7b016adcb8bf79d31b35fda6861a57 [0,1,1,0,0,0|1,0,1]=4 1890 B17R2.74946 CC(CCO)NCc1cccc2c1[nH]cc2 c0caebfd053cf18b3315358cc51c241f [0,1,1,0,0,0|2,0,0]=4 1891 B17R2.74946 CC(CCO)NCc1cccc2c1occ2 07341d8bad2dcc371d1f0dd987f165c9 [0,1,1,0,0,0|1,1,0]=4 1892 B17R2.74946 CC(CCO)NCc1cccc2c1scc2 82185d5e73abde2ec95039df22cd3532 [0,1,1,0,0,0|1,0,0]=3 1893 B17R2.74946 CC(CCO)NCc1cccc2c1scn2 aaa4448129288519d67f3f5277214301 [0,1,1,0,0,0|2,0,0]=4 1894 B17R2.74946 CCCC(=O)NCc1cccc2c1occ2 e0a6e3a8285557682f6db15a2df0a1a1 [0,1,1,0,0,0|0,1,1]=4 1895 B17R2.74946 CCCC(=O)NCc1cccc2c1scc2 6d26defcc50581e14c1d6459e8dbe6b4 [0,1,1,0,0,0|0,0,1]=3 1896 B17R2.74946 CCCC(=O)NCc1cccc2c1scn2 56239f9302a0ab75bdd819eb339d02c1 [0,1,1,0,0,0|1,0,1]=4 1897 B17R2.74946 CCCC(=S)OCc1cccc2c1scc2 109b801185dd2cae0e3ec53fc35f23e8 [0,1,1,0,0,0|1,0,1]=4 1898 B17R2.74946 CCCC(C)COc1cccc2c1scc2 ce3d88a6b3e7c1120555464b2d7f9328 [0,1,1,0,0,0|2,0,0]=4 1899 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]cc2 d92e7420d3e7b11392d1e47d02307240 [0,1,1,0,0,0|1,0,0]=3 1900 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]nc2 8963def6300a9e0a3794a5d24fcd36f1 [0,1,1,0,0,0|2,0,0]=4 1901 B17R2.74946 CCCC(C)NCc1cccc2c1cc[nH]2 2c34eda4a1b12e7a4731a1840a427503 [0,1,1,0,0,0|2,0,0]=4 1902 B17R2.74946 CCCC(C)NCc1cccc2c1ccs2 c32d8f91b5655ce7fa439289ed476462 [0,1,1,0,0,0|2,0,0]=4 1903 B17R2.74946 CCCC(C)NCc1cccc2c1nco2 3a7f14db1f2485b30fdc6ba1a00762dc [0,1,1,0,0,0|2,0,0]=4 1904 B17R2.74946 CCCC(C)NCc1cccc2c1ncs2 39017803ab4d3d3690ca1956643ccb20 [0,1,1,0,0,0|2,0,0]=4 1905 B17R2.74946 CCCC(C)NCc1cccc2c1occ2 20dd5036f433d8112559e8b3d9c6c9dd [0,1,1,0,0,0|0,1,0]=3 1906 B17R2.74946 CCCC(C)NCc1cccc2c1ocn2 5d3006e28f72e594843942272dc628a3 [0,1,1,0,0,0|1,1,0]=4 1907 B17R2.74946 CCCC(C)NCc1cccc2c1scc2 b947d784c5ba8eae69167d6651b84a06 [0,1,1,0,0,0|0,0,0]=2 1908 B17R2.74946 CCCC(C)NCc1cccc2c1scn2 27e2a2f218a325f66f6b1c16b6803a79 [0,1,1,0,0,0|1,0,0]=3 1909 B17R2.74946 CCCC(C)NCc1cccc2n1ncc2 f65a46b12ad67a7879bb58f77f5c2ec9 [0,1,1,0,0,0|2,0,0]=4 1910 B17R2.74946 CCCC(C)NCc1cccn2c1ncc2 1065f2e489ef69f3fe5d80153ee88c5e [0,1,1,0,0,0|2,0,0]=4 1911 B17R2.74946 CCCC(C)OCc1cccc2c1[nH]cc2 503b2547e3ed6b44b9b6859beb2acd57 [0,1,1,0,0,0|2,0,0]=4 1912 B17R2.74946 CCCC(C)OCc1cccc2c1occ2 cf3a26936b93185ad27460612adf8842 [0,1,1,0,0,0|1,1,0]=4 1913 B17R2.74946 CCCC(C)OCc1cccc2c1scc2 2205d0bdcce0109821660e3bed32d4af [0,1,1,0,0,0|1,0,0]=3 1914 B17R2.74946 CCCC(C)OCc1cccc2c1scn2 c2138f012e8499b3a46f6acdc936febd [0,1,1,0,0,0|2,0,0]=4 1915 B17R2.74946 CCC[C@@H](C)OCc1cccc2c1scc2 765e623565285b304fef086338ae497d [0,1,1,0,0,0|1,0,0]=3 1916 B17R2.74946 CCC[C@H](C)NCc1cccc2c1[nH]nc2 a52635549a1fbf1ba60009d0b396bad8 [0,1,1,0,0,0|2,0,0]=4 1917 B17R2.74946 CCC[C@H](C)NCc1cccc2c1ccs2 47fc431c8c2dd905fb04627ce2aa5b5c [0,1,1,0,0,0|2,0,0]=4 1918 B17R2.74946 CCC[C@H](C)NCc1cccc2c1nco2 e5788b14712fcb7c4d7590bf2a9acd64 [0,1,1,0,0,0|2,0,0]=4 1919 B17R2.74946 CCC[C@H](C)NCc1cccc2c1ncs2 58adb539d640ebc8185a7fc1985d6060 [0,1,1,0,0,0|2,0,0]=4 1920 B17R2.74946 CCC[C@H](C)NCc1cccc2c1ocn2 3f0543bd3459c349e8044a8155547eca [0,1,1,0,0,0|1,1,0]=4 1921 B17R2.74946 CCC[C@H](C)NCc1cccc2c1scc2 c7ce968dd008d9deefcf0a29c043345e [0,1,1,0,0,0|0,0,0]=2 1922 B17R2.74946 CCC[C@H](C)NCc1cccc2n1ncc2 0b50fe5e982e2dd496aaf735c91254e3 [0,1,1,0,0,0|2,0,0]=4 1923 B17R2.74946 CCC[C@H](C)OCc1cccc2c1scc2 135be2b733b61269ea49d4b58f57a250 [0,1,1,0,0,0|1,0,0]=3 1924 B17R2.74946 COCC(=O)NCc1cccc2c1scc2 5f873e7c1ed07b813c8c91caad8553fa [0,1,1,0,0,0|1,0,1]=4 1925 B17R2.74946 COCC(C)NCc1cccc2c1[nH]cc2 6362c319ce54805172eac45827da4c8d [0,1,1,0,0,0|2,0,0]=4 1926 B17R2.74946 COCC(C)NCc1cccc2c1occ2 4dfbf2ef64f624991966878ae8d85151 [0,1,1,0,0,0|1,1,0]=4 1927 B17R2.74946 COCC(C)NCc1cccc2c1scc2 02dc7322387a9e06db52da99ca2d4633 [0,1,1,0,0,0|1,0,0]=3 1928 B17R2.74946 COCC(C)NCc1cccc2c1scn2 4ce06d65b9186b55ee167a1ca71a12cc [0,1,1,0,0,0|2,0,0]=4 1929 B17R2.74946 COCC(C)OCc1cccc2c1scc2 7515a0c1f33e20ae3308f277e841982b [0,1,1,0,0,0|2,0,0]=4 1930 B17R2.74946 COC[C@@H](C)NCc1cccc2c1scc2 34e0892216af22abb200b5fae7341852 [0,1,1,0,0,0|1,0,0]=3 1931 B17R2.74946 COC[C@@H](C)NCc1cccc2c1scn2 66a19672ad59e83964ce0d782320637f [0,1,1,0,0,0|2,0,0]=4 1932 B17R2.74946 COC[C@@H](C)OCc1cccc2c1scc2 018aea2adbc767126ee29038d571e31d [0,1,1,0,0,0|2,0,0]=4 1933 B17R2.74946 COC[C@H](C)NCc1cccc2c1scc2 1aaf277d9d748e63030428ed75ddb688 [0,1,1,0,0,0|1,0,0]=3 1934 B17R2.74946 COC[C@H](C)NCc1cccc2c1scn2 1bc5fac26ffed7b8ac40c4f397775a2a [0,1,1,0,0,0|2,0,0]=4 1935 B17R2.74946 COC[C@H](C)OCc1cccc2c1scc2 a9cf6a3428ebcb572c39d192afa5aa79 [0,1,1,0,0,0|2,0,0]=4 1936 B17R2.74946 CSCC(=O)NCc1cccc2c1scc2 15ebf9b1d8d9480607510a9f1a57c228 [0,1,1,0,0,0|1,0,1]=4 1937 B17R2.74946 CSCC(C)OCc1cccc2c1scc2 6e3fb39b96eb03a5e685ecebc99728ef [0,1,1,0,0,0|2,0,0]=4 1938 B17R2.74946 C[C@@H](CCO)NCc1cccc2c1scc2 12efe1d8eb1508fac49d0b83a88a3be2 [0,1,1,0,0,0|1,0,0]=3 1939 B17R2.74946 C[C@H](CCO)NCc1cccc2c1scc2 83753e0242ea3a0e53dd0f72ac0756ee [0,1,1,0,0,0|1,0,0]=3 1940 B17R2.74946 O=C(CCF)NCc1cccc2c1scc2 82783bd61e1f2921de77bbfbe939ea13 [0,1,1,0,0,0|1,0,1]=4 1941 B17R2.74946 O=C(CCO)NCc1cccc2c1scc2 96b6dacdb002f55bdc0cd2e2650f0c11 [0,1,1,0,0,0|1,0,1]=4 1942 B17R2.74946 O=C(CCS)NCc1cccc2c1scc2 67a95f17318e67b18014cd596098c8ba [0,1,1,0,0,0|1,0,1]=4 1943 B17R2.11 CC(C)CNCc1cccc2c1CNC2=O 1be4808a6fb772a3a52dbaab6051ee43 [0,1,1,0,0,0|2,0,0]=4 1944 B17R2.11 CC(C)CNCc1cccc2c1ccn2C 67c108d01aba8787bbbed9a0c85f0d70 [0,1,1,0,0,0|2,0,0]=4 1945 B17R2.4967 CC(C)CNCc1cc(cc2c1cc[nH]2)F dc83931593230dfcda690579d46e63af [0,1,1,0,0,0|2,0,0]=4 1946 B17R2.4967 Cc1cc(c2sccc2c1)NCCC(C)C 6d8f4fd97b0d0ebcd5767d87331baaa5 [0,1,1,0,0,0|2,0,0]=4 1947 B17R2.5261 C=C(C)CNCc1cccc2c1sc(c2)C e865d8263b75a263eab72a3e3faafc5a [0,1,1,0,0,0|0,0,2]=4 1948 B17R2.5261 CC(=O)CNCc1cccc2c1sc(c2)C 52c93bd8e3e10b3305946d1680c0ca98 [0,1,1,0,0,0|1,0,1]=4 1949 B17R2.5261 CC(C)CNCc1cccc2c1NC(=O)C2 ff3208bbbde9ed53fd454778f6edfc05 [0,1,1,0,0,0|1,0,1]=4 1950 B17R2.5261 CC(C)CNCc1cccc2c1nn(c2)C 5992ffde6b5a028ccc18ba50a1c7ff06 [0,1,1,0,0,0|2,0,0]=4 1951 B17R2.5261 Cc1cc2cccc(c2s1)CNCC(C)C 1493bd82be5c97ab3191d2078e7e6ec4 [0,1,1,0,0,0|0,0,0]=2 1952 B17R2.5261 Cc1cc2cccc(c2s1)CNCC(C)O 4e62c77c2aaa7edcf5a6ae1b477e200b [0,1,1,0,0,0|1,0,0]=3 1953 B17R2.5261 Cc1cc2cccc(c2s1)CNCC(F)F 67a493f18d8ba497d38778d493b33882 [0,1,1,0,0,0|2,0,0]=4 1954 B17R2.5261 Cc1cc2cccc(c2s1)CNC[C@@H](C)O c365ad5bbad9ab5bb10782dca13c4a2f [0,1,1,0,0,0|1,0,0]=3 1955 B17R2.5261 Cc1cc2cccc(c2s1)CNC[C@H](C)O 79e9e8658da18fcd08525fe0f453519e [0,1,1,0,0,0|1,0,0]=3 1956 B17R2.5261 Cc1cc2cccc(c2s1)COCC(C)C 95dde654596806f32ddc24409b6ffbbf [0,1,1,0,0,0|1,0,0]=3 1957 B17R2.5261 Cc1cc2cccc(c2s1)COCC(C)F 98a9197cad35136ad583c728ebbb0b8c [0,1,1,0,0,0|2,0,0]=4 1958 B17R2.5261 Cc1cc2cccc(c2s1)COCC(C)S da9c92788a0d6df42d4f03d87eb69cf4 [0,1,1,0,0,0|2,0,0]=4 1959 B17R2.5261 Cc1cc2cccc(c2s1)COC[C@@H](C)F c22c1cb382f6bfea927fa7d2de97c1c9 [0,1,1,0,0,0|2,0,0]=4 1960 B17R2.5261 Cc1cc2cccc(c2s1)COC[C@H](C)F eea6730c2d6ef7a595187824f9f9b963 [0,1,1,0,0,0|2,0,0]=4 1961 B17R2.84729 CC(=O)C(C)NCc1cccc2c1scc2 0d69d72c173566957231a33c9fdcf434 [0,1,1,0,0,0|1,0,1]=4 1962 B17R2.84729 CC(C)C(C)COc1cccc2c1scc2 4661ba2108a4cf140146874ed81eba69 [0,1,1,0,0,0|2,0,0]=4 1963 B17R2.84729 CC(C)C(C)NCc1cccc2c1[nH]nc2 eba9f4098610e6e9044c60f6902d6002 [0,1,1,0,0,0|2,0,0]=4 1964 B17R2.84729 CC(C)C(C)NCc1cccc2c1cc[nH]2 6726871615ba24f7fed1f877994b7ec3 [0,1,1,0,0,0|2,0,0]=4 1965 B17R2.84729 CC(C)C(C)NCc1cccc2c1ccs2 d31e7e53629048a0f04b9f43b8bc58e3 [0,1,1,0,0,0|2,0,0]=4 1966 B17R2.84729 CC(C)C(C)NCc1cccc2c1nco2 57595733186a1089f8ef68f11afc295a [0,1,1,0,0,0|2,0,0]=4 1967 B17R2.84729 CC(C)C(C)NCc1cccc2c1ncs2 ac45db745c6817ca36c372c73e4981ce [0,1,1,0,0,0|2,0,0]=4 1968 B17R2.84729 CC(C)C(C)NCc1cccc2c1occ2 b4ee4a8e37965d525ba731ea22028365 [0,1,1,0,0,0|0,1,0]=3 1969 B17R2.84729 CC(C)C(C)NCc1cccc2c1ocn2 4f84d2887b470b0bbc8adb54a42402ad [0,1,1,0,0,0|1,1,0]=4 1970 B17R2.84729 CC(C)C(C)NCc1cccc2c1scc2 87237169900fecfce831118c60ef3933 [0,1,1,0,0,0|0,0,0]=2 1971 B17R2.84729 CC(C)C(C)NCc1cccc2c1scn2 12bc68d4785263d022417e82d70c664a [0,1,1,0,0,0|1,0,0]=3 1972 B17R2.84729 CC(C)C(C)NCc1cccc2n1ncc2 988b4408b2a26592e9c63015665bbe73 [0,1,1,0,0,0|2,0,0]=4 1973 B17R2.84729 CC(C)C(C)NCc1cccn2c1ncc2 ff17b3bda2cf4c7caf1851d539d6e802 [0,1,1,0,0,0|2,0,0]=4 1974 B17R2.84729 CC(C)C(C)OCc1cccc2c1occ2 41d0603f43fd09290be77cff7c870c33 [0,1,1,0,0,0|1,1,0]=4 1975 B17R2.84729 CC(C)C(C)OCc1cccc2c1scc2 05699ae4dcd2a466aaf2fcb75bd61a6a [0,1,1,0,0,0|1,0,0]=3 1976 B17R2.84729 CC(C)C(C)OCc1cccc2c1scn2 294dd752e1efb19a2f5a43102b5798b7 [0,1,1,0,0,0|2,0,0]=4 1977 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2c1[nH]nc2 736ca9a4ce2785ea7d8be57f0cd113c7 [0,1,1,0,0,0|2,0,0]=4 1978 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2c1ccs2 5ee15787f1b2b3a4732a6a28d01509bd [0,1,1,0,0,0|2,0,0]=4 1979 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2c1nco2 41c7c4d1447c72ea80cca1aa34e808ef [0,1,1,0,0,0|2,0,0]=4 1980 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2c1ncs2 3169b1d9e5fa896510574451eafeed41 [0,1,1,0,0,0|2,0,0]=4 1981 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2c1ocn2 f778008a77f77a0145c1f57aa856f327 [0,1,1,0,0,0|1,1,0]=4 1982 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2c1scc2 af661af525804c04f12516bdbd0619f2 [0,1,1,0,0,0|0,0,0]=2 1983 B17R2.84729 CC(C)[C@@H](C)NCc1cccc2n1ncc2 7dcc22ce83e3a66c3991c0607c84a5ef [0,1,1,0,0,0|2,0,0]=4 1984 B17R2.84729 CC(C)[C@@H](C)OCc1cccc2c1scc2 1405eb5c3e8cf697ea4e85803ecf5e14 [0,1,1,0,0,0|1,0,0]=3 1985 B17R2.84729 CC(C)[C@H](C)NCc1cccc2c1[nH]nc2 6f6caa9018a502488e5400b6e76a3960 [0,1,1,0,0,0|2,0,0]=4 1986 B17R2.84729 CC(C)[C@H](C)NCc1cccc2c1ccs2 a9f01e8ea3999075ff27bba9fe0ab5d6 [0,1,1,0,0,0|2,0,0]=4 1987 B17R2.84729 CC(C)[C@H](C)NCc1cccc2c1nco2 cdeee941181aa3d427006d5a960511bd [0,1,1,0,0,0|2,0,0]=4 1988 B17R2.84729 CC(C)[C@H](C)NCc1cccc2c1ncs2 5fbc8197127e157d535f827dddc19694 [0,1,1,0,0,0|2,0,0]=4 1989 B17R2.84729 CC(C)[C@H](C)NCc1cccc2c1ocn2 0377f1145578ad207dad3db1bd5fbd46 [0,1,1,0,0,0|1,1,0]=4 1990 B17R2.84729 CC(C)[C@H](C)NCc1cccc2c1scc2 4f9f7c30f67a21c0084fae93d1c5a2ff [0,1,1,0,0,0|0,0,0]=2 1991 B17R2.84729 CC(C)[C@H](C)NCc1cccc2n1ncc2 bc87e61b0a7367bc8305327f68f3db30 [0,1,1,0,0,0|2,0,0]=4 1992 B17R2.84729 CC(C)[C@H](C)OCc1cccc2c1scc2 ffcb5ce656366d99486966d8587ad8db [0,1,1,0,0,0|1,0,0]=3 1993 B17R2.84729 CC(F)C(=O)NCc1cccc2c1scc2 c1f1c0d56e5249d9f448ed6d1fac8b82 [0,1,1,0,0,0|1,0,1]=4 1994 B17R2.84729 CC(O)C(=O)NCc1cccc2c1scc2 3eefe366765bb520a81e42b1befa1dc9 [0,1,1,0,0,0|1,0,1]=4 1995 B17R2.84729 CC(O)C(C)NCc1cccc2c1scc2 56a5da8e591c94f1a40072db68979193 [0,1,1,0,0,0|1,0,0]=3 1996 B17R2.84729 CC(S)C(=O)NCc1cccc2c1scc2 8741eab354dc2b043bee23f9c3f42433 [0,1,1,0,0,0|1,0,1]=4 1997 B17R2.84729 CC(S)C(C)OCc1cccc2c1scc2 7b7c481e4b5edb6837edb173259c4305 [0,1,1,0,0,0|2,0,0]=4 1998 B17R2.84729 C[C@@H](F)C(=O)NCc1cccc2c1scc2 26ce7b016a3cb11717127b00855fdb71 [0,1,1,0,0,0|1,0,1]=4 1999 B17R2.84729 C[C@@H](NCc1cccc2c1scc2)C(F)F a4e2e1da33aba94dd9d9de667b89d2d1 [0,1,1,0,0,0|2,0,0]=4 2000 B17R2.84729 C[C@@H](O)C(=O)NCc1cccc2c1scc2 a223ace518eda4f55bd664ccf953fd78 [0,1,1,0,0,0|1,0,1]=4 2001 B17R2.84729 C[C@H](F)C(=O)NCc1cccc2c1scc2 069d5404ca889a74bd301eb33934d12d [0,1,1,0,0,0|1,0,1]=4 2002 B17R2.84729 C[C@H](NCc1cccc2c1scc2)C(F)F 2271299d240c00def3f311113d15bc96 [0,1,1,0,0,0|2,0,0]=4 2003 B17R2.84729 C[C@H](O)C(=O)NCc1cccc2c1scc2 6e716e7ef017dfa78dea7acf5490712d [0,1,1,0,0,0|1,0,1]=4 2004 B17R2.90704 CC(C)(Br)COCc1cccc2c1scc2 ebe0cc801fbb18576a2244e25f371560 [0,1,1,0,0,0|1,0,0]=3 2005 B17R2.90704 CC(C)(Br)COCc1cccc2c1scn2 66b70df20e1210395d9b5980d0309336 [0,1,1,0,0,0|2,0,0]=4 2006 B17R2.90704 CC(C)(C)CCNc1cccc2c1scc2 d106b7578ac2da95b92c2b363d830b8f [0,1,1,0,0,0|2,0,0]=4 2007 B17R2.90704 CC(C)(C)CCOc1cccc2c1scc2 e078840791c7f456c89beaf7b196daa8 [0,1,1,0,0,0|2,0,0]=4 2008 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]cc2 9f3ff10fae86a96d8dc994bd7f935eef [0,1,1,0,0,0|1,0,0]=3 2009 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]nc2 646c4214b4edccd68fc6be431991d16d [0,1,1,0,0,0|2,0,0]=4 2010 B17R2.90704 CC(C)(C)CNCc1cccc2c1cc[nH]2 80aee5657c968dc934e3fc9b96b2d2b1 [0,1,1,0,0,0|2,0,0]=4 2011 B17R2.90704 CC(C)(C)CNCc1cccc2c1ccs2 3735c57abefe343d074497cdf486682f [0,1,1,0,0,0|2,0,0]=4 2012 B17R2.90704 CC(C)(C)CNCc1cccc2c1nco2 38f89113c00b0075ff525dded8889f2c [0,1,1,0,0,0|2,0,0]=4 2013 B17R2.90704 CC(C)(C)CNCc1cccc2c1ncs2 2d65e90707e5fcf5a6c9434bb940263c [0,1,1,0,0,0|2,0,0]=4 2014 B17R2.90704 CC(C)(C)CNCc1cccc2c1occ2 3ccff38d191fe3aef6eac1c44c5a1f4d [0,1,1,0,0,0|0,1,0]=3 2015 B17R2.90704 CC(C)(C)CNCc1cccc2c1ocn2 0f85b32a7bbd0b74cecf3da657108bc3 [0,1,1,0,0,0|1,1,0]=4 2016 B17R2.90704 CC(C)(C)CNCc1cccc2c1scc2 fa50f3407fa8521361827babe9227f5f [0,1,1,0,0,0|0,0,0]=2 2017 B17R2.90704 CC(C)(C)CNCc1cccc2c1scn2 d9ebf0f3184a4e5d38bf2fc3df9f100c [0,1,1,0,0,0|1,0,0]=3 2018 B17R2.90704 CC(C)(C)CNCc1cccc2n1ncc2 74772f05c860e1ab4753aae59febb7a1 [0,1,1,0,0,0|2,0,0]=4 2019 B17R2.90704 CC(C)(C)CNCc1cccn2c1ncc2 1f77075d7c18ca8591bc54222c295fe4 [0,1,1,0,0,0|2,0,0]=4 2020 B17R2.90704 CC(C)(C)COCc1cccc2c1[nH]cc2 ab87cd09a3175defb770e17b8894cb8b [0,1,1,0,0,0|2,0,0]=4 2021 B17R2.90704 CC(C)(C)COCc1cccc2c1occ2 a4c099d3321633982cfe302eb0627d09 [0,1,1,0,0,0|1,1,0]=4 2022 B17R2.90704 CC(C)(C)COCc1cccc2c1scc2 22386b4a854101d626838cc9a9402c51 [0,1,1,0,0,0|1,0,0]=3 2023 B17R2.90704 CC(C)(C)COCc1cccc2c1scn2 f566560441a25ed69f0c21b286d26f30 [0,1,1,0,0,0|2,0,0]=4 2024 B17R2.90704 CC(C)(F)CCNc1cccc2c1scc2 a6e9ccdc764246ff6ddb97172ac2cd32 [0,1,1,0,0,0|2,0,0]=4 2025 B17R2.90704 CC(C)(F)CNCc1cccc2c1[nH]cc2 c5ea6edcb8c7687ea28a7e1d68df8eed [0,1,1,0,0,0|1,0,0]=3 2026 B17R2.90704 CC(C)(F)CNCc1cccc2c1[nH]nc2 77abca209741b060115dffb3f5fed752 [0,1,1,0,0,0|2,0,0]=4 2027 B17R2.90704 CC(C)(F)CNCc1cccc2c1cc[nH]2 62ba3d9e68d4dd76e0bf49bcf3b4b3eb [0,1,1,0,0,0|2,0,0]=4 2028 B17R2.90704 CC(C)(F)CNCc1cccc2c1ccs2 ec52da7aaa1bfab855b9c328d050c41e [0,1,1,0,0,0|2,0,0]=4 2029 B17R2.90704 CC(C)(F)CNCc1cccc2c1occ2 8678a3485843092416377b8ec4cc02f8 [0,1,1,0,0,0|0,1,0]=3 2030 B17R2.90704 CC(C)(F)CNCc1cccc2c1scc2 7c0e129fc9dbb30529babef046bb0301 [0,1,1,0,0,0|0,0,0]=2 2031 B17R2.90704 CC(C)(F)CNCc1cccc2c1scn2 0dcb1a743a4114ed2433a1d76890bb8d [0,1,1,0,0,0|1,0,0]=3 2032 B17R2.90704 CC(C)(F)CNCc1cccc2n1ncc2 6804f23cd0f5417b86894fa1ddc3c42e [0,1,1,0,0,0|2,0,0]=4 2033 B17R2.90704 CC(C)(F)CNCc1cccn2c1ncc2 d1d35c5c46081df983e302441ab623de [0,1,1,0,0,0|2,0,0]=4 2034 B17R2.90704 CC(C)(F)COCc1cccc2c1[nH]cc2 eefab6c679ce613adf348d8bf2f237af [0,1,1,0,0,0|2,0,0]=4 2035 B17R2.90704 CC(C)(F)COCc1cccc2c1occ2 452eeaa7ad31b88da8b61994568027f4 [0,1,1,0,0,0|1,1,0]=4 2036 B17R2.90704 CC(C)(F)COCc1cccc2c1scc2 5c896a9830cbf425e17f34ae9f8e1dd2 [0,1,1,0,0,0|1,0,0]=3 2037 B17R2.90704 CC(C)(F)COCc1cccc2c1scn2 33954575190e75df8aecd28d6112431e [0,1,1,0,0,0|2,0,0]=4 2038 B17R2.90704 CC(C)(O)CCNc1cccc2c1scc2 b61ae316b7ef16d68ce4417da269700f [0,1,1,0,0,0|2,0,0]=4 2039 B17R2.90704 CC(C)(O)CCOc1cccc2c1scc2 1ec5cca629a41a35e65dbba76de5bc6c [0,1,1,0,0,0|2,0,0]=4 2040 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]cc2 4cfa6f4cf5c612357b36e1673995bb8a [0,1,1,0,0,0|1,0,0]=3 2041 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]nc2 481951c41c3948201d80500fb517d4d8 [0,1,1,0,0,0|2,0,0]=4 2042 B17R2.90704 CC(C)(O)CNCc1cccc2c1cc[nH]2 d1006ee4ae361d3d3ba11dc683cb0756 [0,1,1,0,0,0|2,0,0]=4 2043 B17R2.90704 CC(C)(O)CNCc1cccc2c1ccs2 71bfae2f2dcbfe247eaf8ee047385a25 [0,1,1,0,0,0|2,0,0]=4 2044 B17R2.90704 CC(C)(O)CNCc1cccc2c1nco2 894cabf9fcc3273b66604d974b0f9753 [0,1,1,0,0,0|2,0,0]=4 2045 B17R2.90704 CC(C)(O)CNCc1cccc2c1ncs2 d51b7154fd780a15d0a7684dad054366 [0,1,1,0,0,0|2,0,0]=4 2046 B17R2.90704 CC(C)(O)CNCc1cccc2c1occ2 63a8ce6ff39428fedc6a51473999ffc3 [0,1,1,0,0,0|0,1,0]=3 2047 B17R2.90704 CC(C)(O)CNCc1cccc2c1ocn2 b17559649cc8d7c2d7018fe5c5ca01b1 [0,1,1,0,0,0|1,1,0]=4 2048 B17R2.90704 CC(C)(O)CNCc1cccc2c1scc2 2e1fa7b231a65b61b05436e85f5ed84f [0,1,1,0,0,0|0,0,0]=2 2049 B17R2.90704 CC(C)(O)CNCc1cccc2c1scn2 ac4649862f6c9ad744df93ddfe3475ad [0,1,1,0,0,0|1,0,0]=3 2050 B17R2.90704 CC(C)(O)CNCc1cccc2n1ncc2 77a27c895291315f5ab36f83636a5eae [0,1,1,0,0,0|2,0,0]=4 2051 B17R2.90704 CC(C)(O)CNCc1cccn2c1ncc2 23c5b7207805c7b6606afed93a38bee9 [0,1,1,0,0,0|2,0,0]=4 2052 B17R2.90704 CC(C)(O)COCc1cccc2c1[nH]cc2 34c8f7a99b9be45305af747128eda832 [0,1,1,0,0,0|2,0,0]=4 2053 B17R2.90704 CC(C)(O)COCc1cccc2c1occ2 42b7d680ed192be66d1456cb49598347 [0,1,1,0,0,0|1,1,0]=4 2054 B17R2.90704 CC(C)(O)COCc1cccc2c1scc2 9d1cae89d65db06b725a8180ae41699c [0,1,1,0,0,0|1,0,0]=3 2055 B17R2.90704 CC(C)(O)COCc1cccc2c1scn2 d3bd6c7dd508d544efbc9b4c6f8f3118 [0,1,1,0,0,0|2,0,0]=4 2056 B17R2.90704 CC(C)(S)COCc1cccc2c1scc2 ee36eb6acd24c4bb94e1a2e6fe510619 [0,1,1,0,0,0|1,0,0]=3 2057 B17R2.90704 CC(C)(S)COCc1cccc2c1scn2 cd5c6cf8c5bd88d876a4f532cdf4ea6b [0,1,1,0,0,0|2,0,0]=4 2058 B17R2.90704 CC(F)(F)CNCc1cccc2c1[nH]cc2 8c484c57ef751fd7b1f2fd9a963ddc48 [0,1,1,0,0,0|2,0,0]=4 2059 B17R2.90704 CC(F)(F)CNCc1cccc2c1occ2 4ceba8541c3a63067fd67540b25b3963 [0,1,1,0,0,0|1,1,0]=4 2060 B17R2.90704 CC(F)(F)CNCc1cccc2c1scc2 19b8842091e53c5ace5544f71173df1f [0,1,1,0,0,0|1,0,0]=3 2061 B17R2.90704 CC(F)(F)CNCc1cccc2c1scn2 cd4c90642ab934092d49eb9910ba1022 [0,1,1,0,0,0|2,0,0]=4 2062 B17R2.90704 CC(F)(F)COCc1cccc2c1scc2 3a9965bf4a2352a9e22596af1d1ccfc9 [0,1,1,0,0,0|2,0,0]=4 2063 B17R2.90704 CS(=O)(=O)CNCc1cccc2c1scc2 ba60720558c58765344bedb419875c35 [0,1,1,0,0,0|2,0,0]=4 2064 B17R2.90704 FC(F)(F)CNCc1cccc2c1scc2 5ccf9b8f68ab4be36f3dd4bca98cc399 [0,1,1,0,0,0|2,0,0]=4 2065 B17R2.90971 CC(C)CCN(C)c1cccc2c1scc2 d5d7d8e1ea7acfd8074620ad02f622b7 [0,1,1,0,0,0|2,0,0]=4 2066 B17R2.90971 CC(C)CNC(=O)c1cccc2c1occ2 38e1188ffe21b086ef9d74b10ce1a39c [0,1,1,0,0,0|0,1,1]=4 2067 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scc2 f8703724ff5171eb313bea2e81160b4e [0,1,1,0,0,0|0,0,1]=3 2068 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scn2 62e2af3897d1eb3bdceec8cc82ea268e [0,1,1,0,0,0|1,0,1]=4 2069 B17R2.90971 CC(C)CNC(=O)c1cccc2c1snc2 92d6b6a10fcd88b04929abed0597f71b [0,1,1,0,0,0|1,0,1]=4 2070 B17R2.90971 CC(C)CNC(=O)c1ccnc2c1scc2 3dc70d557d2efaad73d19982bbd2cd20 [0,1,1,0,0,0|1,0,1]=4 2071 B17R2.90971 CC(C)CNC(=O)c1nccc2c1scc2 86c7822576a1797b8799723446710453 [0,1,1,0,0,0|1,0,1]=4 2072 B17R2.90971 CC(C)CNC(C)c1cccc2c1[nH]cc2 b6ae0e95db0bd2109ee67ae22884fe74 [0,1,1,0,0,0|1,0,0]=3 2073 B17R2.90971 CC(C)COC(C)c1cccc2c1CC=C2 920ef30a01079de3f5bc5fa77e57926d [0,1,1,0,0,0|2,0,0]=4 2074 B17R2.90971 CC(NC[C@H](C)O)c1cccc2c1[nH]cc2 7f1c9846415fff6f12c2ef6fdff8525c [0,1,1,0,0,0|2,0,0]=4 2075 B17R2.90971 CC(O)CNC(=O)c1cccc2c1scc2 caf74131fb26b52004d5f0332db59b7e [0,1,1,0,0,0|1,0,1]=4 2076 B17R2.90971 CC(O)CNC(C)c1cccc2c1[nH]cc2 c4a76e20267922f0a865d326a781279f [0,1,1,0,0,0|2,0,0]=4 2077 B17R2.90971 C[C@@H](O)CNC(=O)c1cccc2c1scc2 b5d24b76be7ba0c880dff22dc28b8712 [0,1,1,0,0,0|1,0,1]=4 2078 B17R2.90971 C[C@H](O)CNC(=O)c1cccc2c1scc2 21c4b5fbaf793cb751976e123664d22d [0,1,1,0,0,0|1,0,1]=4 2079 B17R2.147063 CC(C)CC(C)Oc1cccc2c1scc2 c44b62ab3cf695f91a1d4560067c91c7 [0,1,1,0,0,0|2,0,0]=4 2080 B17R2.147063 CC(C)CN(C)Cc1cccc2c1[nH]nc2 29dd57b849f99c23532b6f1e41a5b40d [0,1,1,0,0,0|2,0,0]=4 2081 B17R2.147063 CC(C)CN(C)Cc1cccc2c1cc[nH]2 cfda59e6c2faab902040726158add6b8 [0,1,1,0,0,0|2,0,0]=4 2082 B17R2.147063 CC(C)CN(C)Cc1cccc2c1ccs2 97e4adbeb48da5bb6832b764a7095cc7 [0,1,1,0,0,0|2,0,0]=4 2083 B17R2.147063 CC(C)CN(C)Cc1cccc2c1nco2 d290886c5dfe6b14e96b06b6eebe6dd8 [0,1,1,0,0,0|2,0,0]=4 2084 B17R2.147063 CC(C)CN(C)Cc1cccc2c1ncs2 15e3cafddd0269330d7a8d5b71d9888f [0,1,1,0,0,0|2,0,0]=4 2085 B17R2.147063 CC(C)CN(C)Cc1cccc2c1ocn2 c3cbc4a9ef5c81be34992e5752322dd6 [0,1,1,0,0,0|1,1,0]=4 2086 B17R2.147063 CC(C)CN(C)Cc1cccc2c1scc2 c16cd09fd9e1fce5b75d657717c9f95c [0,1,1,0,0,0|0,0,0]=2 2087 B17R2.147063 CC(C)CN(C)Cc1cccc2c1scn2 3499cd5d1e21f2b266cd3adf7d3237ec [0,1,1,0,0,0|1,0,0]=3 2088 B17R2.147063 CC(C)CN(C)Cc1cccc2n1ncc2 44cf2e5f077db259c582cd0b4bd72790 [0,1,1,0,0,0|2,0,0]=4 2089 B17R2.147063 CC(O)CN(C)Cc1cccc2c1scc2 73f4f2bce81eb520405d6ed469acf439 [0,1,1,0,0,0|1,0,0]=3 2090 B17R2.147063 CN(Cc1cccc2c1scc2)CC(F)F dbf056a255679736bad184dd12c9bcf0 [0,1,1,0,0,0|2,0,0]=4 2091 B17R2.147063 C[C@H](O)CN(C)Cc1cccc2c1scc2 e3fa54442b776aed8c3646a39d2d2d0f [0,1,1,0,0,0|1,0,0]=3 2092 B17R2.184950 CC(C)CNCc1cccc2c1n(cc2)C 459fd2535bf599b95fd3ac6f56dd198a [0,1,1,0,0,0|1,0,0]=3 2093 B17R2.184950 CC(C)CNCc1cccc2c1n(nc2)C fa742ab5f0399796fdda1ab4c90b2abb [0,1,1,0,0,0|2,0,0]=4 2094 B17R2.184950 CC(C)COCc1cccc2c1n(cc2)C f60e18ea7cab407620a106d1f40b93d8 [0,1,1,0,0,0|2,0,0]=4 2095 B17R2.184950 CC(O)CNCc1cccc2c1n(cc2)C a0e121062732528191f9af9d086b416e [0,1,1,0,0,0|2,0,0]=4 2096 B17R2.184950 CN(C)CNCc1cccc2c1n(cc2)C 5e2b3550d20c39d55ac819be2b290e02 [0,1,1,0,0,0|2,0,0]=4 2097 B17R2.184950 C[C@@H](O)CNCc1cccc2c1n(cc2)C 49be0752d1f1404d6e34f1c23d274dde [0,1,1,0,0,0|2,0,0]=4 2098 B17R2.184950 C[C@H](O)CNCc1cccc2c1n(cc2)C 89a38f5d608ad9a68eae16867126e7c9 [0,1,1,0,0,0|2,0,0]=4 2099 B17R2.58002 CNC(=O)c1cccc(c1)CNCC2CC2 487dc2563f7a22eb438ddcfc0c120641 [0,1,1,0,0,0|2,0,0]=4 2100 B17R2.58002 COC(=O)c1cccc(c1)CNCC2CC2 ec71dedc5085873020fdc38c08b79712 [0,1,1,0,0,0|2,0,0]=4 2101 B17R2.60515 CC(=O)Nc1cccc(c1)CNCC2CC2 c90749d6b101cfa7d983c233741cc276 [0,1,1,0,0,0|1,1,0]=4 2102 B17R2.60515 CC(=O)Oc1cccc(c1)CNCC2CC2 975e9dfd316f9688bb97fe803357f80d [0,1,1,0,0,0|1,1,0]=4 2103 B17R2.60515 O=C(O)Cc1cccc(c1)CNCC2CC2 15f3eaede29bc1cabd093cad6e217927 [0,1,1,0,0,0|0,1,1]=4 2104 B17R2.28756 C=CCc1ccccc1C(=O)NCC2CC2 d6e969c72ac3414f335555dde552cc2a [0,1,1,0,0,0|1,0,1]=4 2105 B17R2.59770 C=CCOc1ccccc1CNCC2CC2 da470ddd2da735d1ab901ac2e935102e [0,1,1,0,0,0|0,1,0]=3 2106 B17R2.59770 C=CCOc1ccccc1COCC2CC2 9c6af78abe84138e374693c4c4d4a42c [0,1,1,0,0,0|1,1,0]=4 2107 B17R2.59770 C=CCSc1ccccc1NCCC2CC2 2fd41c5df2ea4e3cb2d6ad08e80ab320 [0,1,1,0,0,0|2,0,0]=4 2108 B17R2.60647 CC(=O)Oc1ccccc1CNCC2CC2 722a06796266365b659e335a9962cbd6 [0,1,1,0,0,0|0,1,1]=4 2109 B17R2.60647 O=C(O)Cc1ccccc1CNCC2CC2 5d0529ec2211f5f34f270b3dc1c121e9 [0,1,1,0,0,0|2,0,0]=4 2110 B17R3.1882 Brc1cnc2n1cccc2NCC3CC3 be50f69a49b4f24fc4fee74b587cc473 [0,1,0,0,1,0|2,0,0]=4 2111 B17R3.1882 Brc1csc2c1ccnc2NCC3CC3 0b3cfeb59392c9f4f8819554b21fb5bb [0,1,0,0,1,0|1,0,0]=3 2112 B17R3.1882 Brc1csc2c1ncnc2NCC3CC3 777b0c3fd4a0f0ccec77fce81c11bd32 [0,1,0,0,1,0|2,0,0]=4 2113 B17R3.1882 Brc1n[nH]c2c1cccc2NCC3CC3 de622426b593bf2d8b34b6769ba665ff [0,1,0,0,1,0|2,0,0]=4 2114 B17R3.1882 Cc1c[nH]c2c1cccc2NCC3CC3 856a7c65cd8df858d3f388b446f50bcc [0,1,0,0,1,0|1,0,0]=3 2115 B17R3.1882 Cc1c[nH]c2c1cccc2OCC3CC3 0d52575cdc15dc747f767d9980e48b00 [0,1,0,0,1,0|2,0,0]=4 2116 B17R3.1882 Cc1coc2c1cccc2NCC3CC3 c157f6953d43e6a588c47b2530d85d13 [0,1,0,0,1,0|0,1,0]=3 2117 B17R3.1882 Cc1csc2c1ccnc2NCC3CC3 1700c7e837441e12938f3267feb4b8b5 [0,1,0,0,1,0|1,0,0]=3 2118 B17R3.1882 Cc1csc2c1ccnc2OCC3CC3 112c51b7bc52de5b2348ef0c83e09f2e [0,1,0,0,1,0|2,0,0]=4 2119 B17R3.1882 Cc1csc2c1nccc2OCC3CC3 3546b27b517ff943b23a2723c1bc4f36 [0,1,0,0,1,0|2,0,0]=4 2120 B17R3.1882 Clc1c[nH]c2c1cccc2NCC3CC3 0da05d3e801a14030e403eb2afaeb4ba [0,1,0,0,1,0|1,0,0]=3 2121 B17R3.1882 Clc1n[nH]c2c1cccc2NCC3CC3 ece73478f2e743fa5a6e2839593fb94f [0,1,0,0,1,0|2,0,0]=4 2122 B17R3.1882 Cn1ccc2c1cccc2CNC3CC3 42d3fd3e31321adb22735681f79e0ee9 [0,1,0,0,1,0|2,0,0]=4 2123 B17R3.1882 Cn1ccc2c1cccc2NCC3CC3 1c142e6c5a02ef16d581dddb9d47e58a [0,1,0,0,1,0|2,0,0]=4 2124 B17R3.1882 Cn1cnc2c1cccc2NCC3CC3 cbb7155b636b3da4ee5cacd781d6ee13 [0,1,0,0,1,0|2,0,0]=4 2125 B17R3.1882 Ic1n[nH]c2c1cccc2NCC3CC3 6c73dbac593c94a314f73229210ebd79 [0,1,0,0,1,0|2,0,0]=4 2126 B17R3.1882 O=C1CCc2c1cccc2NCC3CC3 4be8b5cda5dc424ec11208bf5a250ed4 [0,1,0,0,1,0|1,0,1]=4 2127 B17R3.1882 O=C1NCc2c1cccc2CNC3CC3 f31e81053a1565e229af07b92279b2fc [0,1,0,0,1,0|2,0,0]=4 2128 B17R3.1882 O=C1NCc2c1cccc2NCC3CC3 cacd29dc79543c2bcdede32bfebfe74b [0,1,0,0,1,0|2,0,0]=4 2129 B17R3.1882 O=C1OCc2c1cccc2NCC3CC3 2a0da34d74fa1c7dde99f83d11cd483a [0,1,0,0,1,0|2,0,0]=4 2130 B17R3.1882 O=c1[nH]oc2c1cccc2NCC3CC3 bc7ed1946f6e71aeb2ab25b53df973b3 [0,1,0,0,1,0|1,1,0]=4 2131 B17R3.2985 CC1CC1NCc2cccc3c2[nH]nc3 56a0ab7f415096936138a5c102600800 [0,1,0,0,1,0|2,0,0]=4 2132 B17R3.2985 CC1CC1NCc2cccc3c2ccs3 543c59c0b268d7acbe51a8e0ddbb881f [0,1,0,0,1,0|2,0,0]=4 2133 B17R3.2985 CC1CC1NCc2cccc3c2nco3 930277aff5dd1ad7c17f50e03b6213ed [0,1,0,0,1,0|2,0,0]=4 2134 B17R3.2985 CC1CC1NCc2cccc3c2ncs3 805980f0b98b19fc4046fd920b296f05 [0,1,0,0,1,0|2,0,0]=4 2135 B17R3.2985 CC1CC1NCc2cccc3c2ocn3 03a7e1a08aa39b31cf47a6837e116f5d [0,1,0,0,1,0|1,1,0]=4 2136 B17R3.2985 CC1CC1NCc2cccc3c2scc3 681e91b6b632ff91da89abc343947307 [0,1,0,0,1,0|0,0,0]=2 2137 B17R3.2985 CC1CC1NCc2cccc3c2scn3 162efff3c95eb658b43d3ca7442bd134 [0,1,0,0,1,0|1,0,0]=3 2138 B17R3.2985 CC1CC1NCc2cccc3n2ncc3 9362b6ec92737deda2f9356252cdacb6 [0,1,0,0,1,0|2,0,0]=4 2139 B17R3.2985 F[C@@H]1C[C@@H]1NCc2cccc3c2[nH]nc3 9e97db07bdcb03e438b328b2a1625065 [0,1,0,0,1,0|2,0,0]=4 2140 B17R3.2985 F[C@@H]1C[C@@H]1NCc2cccc3c2ccs3 ed7fa6ca002ccadb17f5ffbe989006c7 [0,1,0,0,1,0|2,0,0]=4 2141 B17R3.2985 F[C@@H]1C[C@@H]1NCc2cccc3c2nco3 bd92892f6079697d57a5949b139aa491 [0,1,0,0,1,0|2,0,0]=4 2142 B17R3.2985 F[C@@H]1C[C@@H]1NCc2cccc3c2ncs3 f28dbfa0e6c5a4b5304cc82015e52d92 [0,1,0,0,1,0|2,0,0]=4 2143 B17R3.2985 F[C@@H]1C[C@@H]1NCc2cccc3c2ocn3 c017ee70a9cdf19bdbb55b445131ef79 [0,1,0,0,1,0|1,1,0]=4 2144 B17R3.2985 F[C@@H]1C[C@@H]1NCc2cccc3c2scc3 1cbe456c5eefa89c3448344a8ecb0e76 [0,1,0,0,1,0|0,0,0]=2 2145 B17R3.2985 F[C@@H]1C[C@@H]1NCc2cccc3c2scn3 d0e8a931f3b652eb543af48109492b95 [0,1,0,0,1,0|1,0,0]=3 2146 B17R3.2985 F[C@@H]1C[C@@H]1NCc2cccc3n2ncc3 86ceb4795105f67613f49ee68957e2d2 [0,1,0,0,1,0|2,0,0]=4 2147 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2[nH]nc3 1322d435be462c5518519eebb49e75d1 [0,1,0,0,1,0|2,0,0]=4 2148 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2ccs3 b974ab715d5c5aaea46a13d87df8da40 [0,1,0,0,1,0|2,0,0]=4 2149 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2nco3 8db23555a71509eb9534c0139acb5ea8 [0,1,0,0,1,0|2,0,0]=4 2150 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2ncs3 a9b38f3fc3a897b707e818c297928d1e [0,1,0,0,1,0|2,0,0]=4 2151 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2ocn3 0d93f94bb09eb85b5a8869b451b2eec3 [0,1,0,0,1,0|1,1,0]=4 2152 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2scc3 1c329283f4c444c030053c86fd9d845c [0,1,0,0,1,0|0,0,0]=2 2153 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2scn3 c1bc8dff34c0d6742cbb632e51f1437e [0,1,0,0,1,0|1,0,0]=3 2154 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3n2ncc3 99e641d3cd337918ca7c4ca112a960cb [0,1,0,0,1,0|2,0,0]=4 2155 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2[nH]nc3 7fa4ac9f631fd9c42edd61b10962dca9 [0,1,0,0,1,0|2,0,0]=4 2156 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2ccs3 d81e67b6a4643d0ef3d7b94df2368055 [0,1,0,0,1,0|2,0,0]=4 2157 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2nco3 fe85dcab5e07eb9f30fa89c37cf6b0d9 [0,1,0,0,1,0|2,0,0]=4 2158 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2ncs3 f86fe166e56b2fbe9e5e162f56d3f7ce [0,1,0,0,1,0|2,0,0]=4 2159 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2ocn3 55e1fd84095091eacd4a2dc9506a7989 [0,1,0,0,1,0|1,1,0]=4 2160 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2scc3 eab8c8b6ee662a6e2aa6581d290edd02 [0,1,0,0,1,0|0,0,0]=2 2161 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3c2scn3 76b887d7ac334e21ca68b148f4dc00ca [0,1,0,0,1,0|1,0,0]=3 2162 B17R3.2985 F[C@H]1C[C@@H]1NCc2cccc3n2ncc3 53c53fc8f81c798d42a9f8ec2d678218 [0,1,0,0,1,0|2,0,0]=4 2163 B17R3.4630 Brc1cc(c2[nH]ccc2c1)NCC3CC3 f1cf1745c27721ac856666e82ef60b5d [0,1,0,0,1,0|1,0,0]=3 2164 B17R3.4630 Brc1cc(c2[nH]ncc2c1)NCC3CC3 193ab5e6de898fe372e58230b289e64d [0,1,0,0,1,0|2,0,0]=4 2165 B17R3.4630 Brc1cc(c2cc[nH]c2c1)NCC3CC3 987ff65231bea09ff2ca99d01b28a96c [0,1,0,0,1,0|2,0,0]=4 2166 B17R3.4630 Brc1cc(c2nc[nH]c2c1)NCC3CC3 3f09236a45c456c4eadcdcff8bc94627 [0,1,0,0,1,0|2,0,0]=4 2167 B17R3.4630 Brc1cc(c2nccn2c1)NCC3CC3 0eb678e78d231db08df6864e93355ce8 [0,1,0,0,1,0|2,0,0]=4 2168 B17R3.4630 Cc1cc(c2[nH]ccc2c1)NCC3CC3 fefc948c3f6ed11410e7ff951eb22ea9 [0,1,0,0,1,0|1,0,0]=3 2169 B17R3.4630 Cc1cc(c2cc[nH]c2c1)NCC3CC3 ecc4351a109809f2f19be8d625b45187 [0,1,0,0,1,0|2,0,0]=4 2170 B17R3.4630 Cc1cc(c2nccn2c1)NCC3CC3 eb9dcf920b79fdfc0c2793be8bf993b8 [0,1,0,0,1,0|2,0,0]=4 2171 B17R3.4630 Cc1cc2cc[nH]c2c(n1)NCC3CC3 dba25885f00f82d1325b453f99f82530 [0,1,0,0,1,0|2,0,0]=4 2172 B17R3.4630 Cc1nc(c2sccc2n1)NCC3CC3 f6701b6b86f8dc3d1bca37ff18cd5838 [0,1,0,0,1,0|2,0,0]=4 2173 B17R3.4630 Clc1cc(c2[nH]ccc2c1)NCC3CC3 ee62aec52ca0d4eb159357ff60f32658 [0,1,0,0,1,0|1,0,0]=3 2174 B17R3.4630 Clc1cc(c2[nH]ncc2c1)NCC3CC3 45fbf4cc757355ef2e65f3375eeb2095 [0,1,0,0,1,0|2,0,0]=4 2175 B17R3.4630 Clc1cc(c2cc[nH]c2c1)NCC3CC3 4d5840674c216bd405e15e25ef27e030 [0,1,0,0,1,0|2,0,0]=4 2176 B17R3.4630 Clc1cc(c2nccn2c1)NCC3CC3 05d0556a379b9f45e0251721b7206e3f [0,1,0,0,1,0|2,0,0]=4 2177 B17R3.4630 Clc1cc(c2ocnc2c1)NCC3CC3 9b1e4086427e398f6fa8c9c80acc027e [0,1,0,0,1,0|1,1,0]=4 2178 B17R3.4630 Clc1cc(c2oncc2c1)NCC3CC3 088088e72a2c3cbc60feea0a8c04dfdb [0,1,0,0,1,0|1,1,0]=4 2179 B17R3.4630 Clc1nc(c2sccc2n1)NCC3CC3 462660e6233324613ffba57aff17a39c [0,1,0,0,1,0|2,0,0]=4 2180 B17R3.4630 Fc1cc(c2[nH]ccc2c1)NCC3CC3 1ba90cc04c66b6b7741b5b4e3d7dd2f7 [0,1,0,0,1,0|1,0,0]=3 2181 B17R3.4630 Fc1cc(c2[nH]ncc2c1)NCC3CC3 061c8e6a10ea1d57db3b6ec65584b9bc [0,1,0,0,1,0|2,0,0]=4 2182 B17R3.4630 Fc1cc(c2cc[nH]c2c1)CNC3CC3 892198a466a0a3f2cf92e590d9d5d586 [0,1,0,0,1,0|2,0,0]=4 2183 B17R3.4630 Fc1cc(c2cc[nH]c2c1)NCC3CC3 8fcb57eba2ea12fcf4b817b802061449 [0,1,0,0,1,0|2,0,0]=4 2184 B17R3.4630 Fc1cc(c2nccn2c1)NCC3CC3 c828d6a5df1e678ce9258bfd40a9197b [0,1,0,0,1,0|2,0,0]=4 2185 B17R3.4630 Ic1cc(c2cc[nH]c2c1)NCC3CC3 ef9636c38a0f1c88cfe83fa0d873cd4d [0,1,0,0,1,0|2,0,0]=4 2186 B17R3.5236 Brc1nc2c(cccc2s1)NCC3CC3 ee8c347fa4b7cb20b259c88341932b6e [0,1,0,0,1,0|2,0,0]=4 2187 B17R3.5236 Cc1cc2c(cccc2[nH]1)NCC3CC3 1166335f1adb50be6326b4a5fd727bac [0,1,0,0,1,0|2,0,0]=4 2188 B17R3.5236 Cc1cc2cccc(c2s1)CNC3CC3 9ecd0f88b6c0956d9cad89a3a37ecfd3 [0,1,0,0,1,0|0,0,0]=2 2189 B17R3.5236 Cc1cc2cccc(c2s1)COC3CC3 a143cf428c90aabe78c8c1060ff79c2d [0,1,0,0,1,0|1,0,0]=3 2190 B17R3.5236 Cc1cc2ccnc(c2[nH]1)NCC3CC3 ee84b508beb8f80a173a9c4ccd46b9c6 [0,1,0,0,1,0|2,0,0]=4 2191 B17R3.5236 Cc1cn2cccc(c2n1)NCC3CC3 a548044ca2c1576854c47d8f586f864e [0,1,0,0,1,0|2,0,0]=4 2192 B17R3.5236 Cc1nc2c(cccc2o1)NCC3CC3 e47b75ac5df5d6431455a4fbca82d69d [0,1,0,0,1,0|2,0,0]=4 2193 B17R3.5236 Cc1nc2c(cccc2s1)NCC3CC3 bf1c01dc5ca6f83ebc25683d51c30629 [0,1,0,0,1,0|2,0,0]=4 2194 B17R3.5236 Cc1nc2cccc(c2s1)NCC3CC3 892c8f162d0435f6da6a131a6a908431 [0,1,0,0,1,0|1,0,0]=3 2195 B17R3.5236 Clc1nc2c(cccc2[nH]1)NCC3CC3 dc1b49910cf09714a5bd76f7a129eacd [0,1,0,0,1,0|2,0,0]=4 2196 B17R3.5236 Clc1nc2cccc(c2s1)NCC3CC3 e6aac47e58adc1d5334560ee3faa4ae3 [0,1,0,0,1,0|1,0,0]=3 2197 B17R3.5236 Clc1nc2cccc(c2s1)OCC3CC3 e51521d7a92be87badbcffa02877f48c [0,1,0,0,1,0|2,0,0]=4 2198 B17R3.5236 Cn1cc2cccc(c2n1)CNC3CC3 f1919611aa3a46d607e699f6f1ee7034 [0,1,0,0,1,0|2,0,0]=4 2199 B17R3.5236 Cn1cc2cccc(c2n1)NCC3CC3 1ecb2c71c067cbfd39a05c7b3c65f918 [0,1,0,0,1,0|2,0,0]=4 2200 B17R3.5236 Nc1nc2c(cccc2[nH]1)NCC3CC3 2a477f6c5889a0588796be70625836c8 [0,1,0,0,1,0|2,0,0]=4 2201 B17R3.5236 Nc1nc2c(cccc2o1)NCC3CC3 d7e0f03d20faa749d5ff7c9468208d31 [0,1,0,0,1,0|2,0,0]=4 2202 B17R3.5236 Nc1nc2cccc(c2o1)NCC3CC3 6ce46f9bed89a183ede79bcddcb0898f [0,1,0,0,1,0|1,1,0]=4 2203 B17R3.5236 Nc1nc2cccc(c2s1)NCC3CC3 368b465188a7293c34d5956c91965139 [0,1,0,0,1,0|1,0,0]=3 2204 B17R3.5236 Nc1nc2ccnc(c2s1)NCC3CC3 6733d76d20dbd639507b9707cfe26cb2 [0,1,0,0,1,0|2,0,0]=4 2205 B17R3.5236 O=C1Cc2c(cccc2N1)NCC3CC3 b6ef042d14d4070ff1d8faa886f47af2 [0,1,0,0,1,0|2,0,0]=4 2206 B17R3.5236 O=C1Cc2cccc(c2N1)CNC3CC3 88cbf181f4d71527322ccc8dba92e0d0 [0,1,0,0,1,0|1,0,1]=4 2207 B17R3.5236 O=C1Cc2cccc(c2N1)NCC3CC3 4578822d7ad7c5e9f4e6445b5bd0adab [0,1,0,0,1,0|1,0,1]=4 2208 B17R3.5236 O=c1[nH]c2c(cccc2o1)NCC3CC3 0f799eb41ddbe1724264a3672b827fdc [0,1,0,0,1,0|2,0,0]=4 2209 B17R3.5236 O=c1[nH]c2cccc(c2[nH]1)NCC3CC3 a48a11fc0ee01cf28a1588d68e2ffff4 [0,1,0,0,1,0|2,0,0]=4 2210 B17R3.5236 O=c1[nH]c2cccc(c2o1)NCC3CC3 05de8ccb4c27d48dd338af5ee3be9f30 [0,1,0,0,1,0|1,1,0]=4 2211 B17R3.5236 S=c1[nH]c2ccnc(c2s1)NCC3CC3 65702777ad1ad0e926e9986d16df8ef0 [0,1,0,0,1,0|2,0,0]=4 2212 B17R3.18553 Brc1ccc2ncsc2c1NCC3CC3 e0b737a63d4ae44624e4cec75dc94c38 [0,1,0,0,1,0|1,0,0]=3 2213 B17R3.18553 Brc1ccn2ccnc2c1NCC3CC3 b2c60ae6a03305c50385bb5224d74a40 [0,1,0,0,1,0|2,0,0]=4 2214 B17R3.18553 Brc1cnc2ccsc2c1OCC3CC3 5f19f45572fccf0074beeb8f72e26d19 [0,1,0,0,1,0|2,0,0]=4 2215 B17R3.18553 Cc1ccc2[nH]ccc2c1NCC3CC3 bc5a8b385b1e2a6c81d5b6158f5d57cf [0,1,0,0,1,0|2,0,0]=4 2216 B17R3.18553 Cc1ccc2cn[nH]c2c1NCC3CC3 443a87d239cf9c9bce55b60fb39d919d [0,1,0,0,1,0|2,0,0]=4 2217 B17R3.18553 Cc1ccc2nc[nH]c2c1NCC3CC3 628015e09a125c582a8dbb1d0cc1c59a [0,1,0,0,1,0|2,0,0]=4 2218 B17R3.18553 Cc1ccc2sccc2c1NCC3CC3 5668093403ad69936d728c99903fb8ee [0,1,0,0,1,0|2,0,0]=4 2219 B17R3.18553 Cc1ccn2ccnc2c1NCC3CC3 4d287185c81a0fc75f6a025c635b48b0 [0,1,0,0,1,0|2,0,0]=4 2220 B17R3.18553 Clc1ccc2ocnc2c1NCC3CC3 df1b7f229c1b8797daf2024db5195bec [0,1,0,0,1,0|2,0,0]=4 2221 B17R3.18553 Clc1ccn2ccnc2c1NCC3CC3 73f6501b56fca96b29aa14a55c01e014 [0,1,0,0,1,0|2,0,0]=4 2222 B17R3.18553 Fc1ccc2cn[nH]c2c1NCC3CC3 8e5fe3ca8f8608980901a32f0514c0b8 [0,1,0,0,1,0|2,0,0]=4 2223 B17R3.18553 Oc1ccc2sccc2c1NCC3CC3 9d0de6de1e5bf2113ff3f7a3f7c02e71 [0,1,0,0,1,0|2,0,0]=4 2224 B17R3.56297 Brc1ccc(c2c1cc[nH]2)OCC3CC3 a0b3841413d8f46b2722181af339b967 [0,1,0,0,1,0|2,0,0]=4 2225 B17R3.56297 Brc1ccc(c2c1cn[nH]2)NCC3CC3 60f692fd115e4502f5d6efdf67b5c69e [0,1,0,0,1,0|2,0,0]=4 2226 B17R3.56297 Brc1ccc(c2n1ccn2)NCC3CC3 bd448dfde622636499fbc9aa47b06cca [0,1,0,0,1,0|2,0,0]=4 2227 B17R3.56297 Brc1cnc(c2c1cc[nH]2)NCC3CC3 2a6f9d8b8fa12c044ddf965397792213 [0,1,0,0,1,0|2,0,0]=4 2228 B17R3.56297 Cc1ccc(c2c1cn[nH]2)NCC3CC3 aef3f685399867278a2d1f59b6209ba1 [0,1,0,0,1,0|2,0,0]=4 2229 B17R3.56297 Cc1ccc(c2c1occ2)NCC3CC3 d6777507c2630d6741cb7fa30b958d51 [0,1,0,0,1,0|2,0,0]=4 2230 B17R3.56297 Cc1cnc(c2c1cc[nH]2)NCC3CC3 309aa8f85220fa745a3d320a8e007089 [0,1,0,0,1,0|2,0,0]=4 2231 B17R3.56297 Clc1ccc(c2c1cc[nH]2)NCC3CC3 0b6464ca4da9cb578bcdcca893234496 [0,1,0,0,1,0|1,0,0]=3 2232 B17R3.56297 Clc1ccc(c2c1cc[nH]2)OCC3CC3 54c642f9a9ebc830e9fb2862015156db [0,1,0,0,1,0|2,0,0]=4 2233 B17R3.56297 Clc1ccc(c2c1cn[nH]2)NCC3CC3 83fde1e1557b813f906f86e594241d71 [0,1,0,0,1,0|2,0,0]=4 2234 B17R3.56297 Clc1ccc(c2c1ocn2)NCC3CC3 2c62a7de1163b7696cc5992af79be827 [0,1,0,0,1,0|2,0,0]=4 2235 B17R3.56297 Clc1ccc(c2n1ccn2)NCC3CC3 4dcd21eaf30e3fca49a8103de696e5da [0,1,0,0,1,0|2,0,0]=4 2236 B17R3.56297 Fc1ccc(c2c1cc[nH]2)NCC3CC3 2e655ea61292c586ec928425256abac9 [0,1,0,0,1,0|1,0,0]=3 2237 B17R3.56297 Fc1ccc(c2c1cn[nH]2)NCC3CC3 d576d33360637ca2bfc2aadf0be49faf [0,1,0,0,1,0|2,0,0]=4 2238 B17R3.56297 Fc1cnc(c2c1cc[nH]2)NCC3CC3 51d65d5843b642761bd8eeb39ffeafb9 [0,1,0,0,1,0|2,0,0]=4 2239 B17R3.212234 CC1(CC1)CNc2cccc3c2[nH]cc3 cb96e642f957e0c43df75fe78724b230 [0,1,0,0,1,0|1,0,0]=3 2240 B17R3.212234 CC1(CC1)CNc2cccc3c2[nH]nc3 9f70850b77c2035dcad07cbcdaa89a38 [0,1,0,0,1,0|2,0,0]=4 2241 B17R3.212234 CC1(CC1)CNc2cccc3c2cc[nH]3 6ca2d0d2b899b0f0cc034479b40886c6 [0,1,0,0,1,0|2,0,0]=4 2242 B17R3.212234 CC1(CC1)CNc2cccc3c2cco3 4e7929b35082821fd59ddc3e63844d9f [0,1,0,0,1,0|2,0,0]=4 2243 B17R3.212234 CC1(CC1)CNc2cccc3c2ccs3 a23e5b06172c21319453129497e0676a [0,1,0,0,1,0|2,0,0]=4 2244 B17R3.212234 CC1(CC1)CNc2cccc3c2nc[nH]3 81c154e469444f9e3e5f824e0aa675c7 [0,1,0,0,1,0|2,0,0]=4 2245 B17R3.212234 CC1(CC1)CNc2cccc3c2nco3 618b6c11222c049ac84c02f57ed617bc [0,1,0,0,1,0|2,0,0]=4 2246 B17R3.212234 CC1(CC1)CNc2cccc3c2ncs3 4f57bdbf18a616a12905d0eb24ca10e2 [0,1,0,0,1,0|2,0,0]=4 2247 B17R3.212234 CC1(CC1)CNc2cccc3c2occ3 70c0c84f0f8624408c4a71a668ce8b2d [0,1,0,0,1,0|0,1,0]=3 2248 B17R3.212234 CC1(CC1)CNc2cccc3c2ocn3 93ed56b89e6656a99c5d7bdb9f8a8687 [0,1,0,0,1,0|1,1,0]=4 2249 B17R3.212234 CC1(CC1)CNc2cccc3c2onc3 c9216e81c1924ea1277aa996177c0ba4 [0,1,0,0,1,0|1,1,0]=4 2250 B17R3.212234 CC1(CC1)CNc2cccc3c2scn3 46aa75c11fc5a29f065e1096ba87e469 [0,1,0,0,1,0|1,0,0]=3 2251 B17R3.212234 CC1(CC1)CNc2cccc3c2snc3 b4633e5446a54b798b8a80cae080f467 [0,1,0,0,1,0|1,0,0]=3 2252 B17R3.212234 CC1(CC1)CNc2cccc3c2snn3 417bd9793ee3f48ddb6b707428214030 [0,1,0,0,1,0|2,0,0]=4 2253 B17R3.212234 CC1(CC1)CNc2cccc3n2ncc3 47564eab3a184f2b0e02e9cb677c94d5 [0,1,0,0,1,0|2,0,0]=4 2254 B17R3.212234 CC1(CC1)CNc2cccn3c2ncc3 1a08b5de1841e13e3ce5192fd0329b33 [0,1,0,0,1,0|2,0,0]=4 2255 B17R3.212234 CC1(CC1)CNc2ccnc3c2[nH]cc3 57e2bfe6b660a29d259a775f37d4bce1 [0,1,0,0,1,0|2,0,0]=4 2256 B17R3.212234 CC1(CC1)CNc2ccnc3c2occ3 66a6fb90a664857e8f1f3afdc704b537 [0,1,0,0,1,0|1,1,0]=4 2257 B17R3.212234 CC1(CC1)CNc2ccnc3c2scc3 b6eab160d7f9c27a7ef2125b34833940 [0,1,0,0,1,0|1,0,0]=3 2258 B17R3.212234 CC1(CC1)CNc2cncc3c2[nH]cc3 9f24d4268db87e379be76deaf0b34fd8 [0,1,0,0,1,0|2,0,0]=4 2259 B17R3.212234 CC1(CC1)CNc2nccc3c2[nH]cc3 994334e493af3c197eaee4864a37696e [0,1,0,0,1,0|2,0,0]=4 2260 B17R3.212234 CC1(CC1)CNc2nccc3c2occ3 527d3510e6e55db0f6ffc7d65fa48d93 [0,1,0,0,1,0|1,1,0]=4 2261 B17R3.212234 CC1(CC1)CNc2nccc3c2scc3 0d5831553da3dc132cc9c8dce5a0578d [0,1,0,0,1,0|1,0,0]=3 2262 B17R3.212234 CC1(CC1)CNc2ncnc3c2scc3 56b7927355693576d43d1cd204e4e1d2 [0,1,0,0,1,0|2,0,0]=4 2263 B17R3.212234 CC1(CC1)COc2cccc3c2[nH]cc3 6d4f2c017cda3cf74256a96857cb079d [0,1,0,0,1,0|2,0,0]=4 2264 B17R3.212234 CC1(CC1)COc2cccc3c2occ3 2806eaa78963a189736af72c4e2a4e79 [0,1,0,0,1,0|1,1,0]=4 2265 B17R3.212234 CC1(CC1)COc2cccc3c2scc3 4a0de7f6a5dd9e7510fdb63e423b08a6 [0,1,0,0,1,0|1,0,0]=3 2266 B17R3.212234 CC1(CC1)COc2cccc3c2scn3 fdd8b7ae9262bc5c5257b0b7f97bb454 [0,1,0,0,1,0|2,0,0]=4 2267 B17R3.212234 CC1(CC1)COc2ccnc3c2scc3 dc1e510c9a01ab56442b96d07f52e83b [0,1,0,0,1,0|2,0,0]=4 2268 B17R3.212234 CC1(CC1)NCc2cccc3c2[nH]nc3 a4b120f0ebd8d9c624f727ca26463bde [0,1,0,0,1,0|2,0,0]=4 2269 B17R3.212234 CC1(CC1)NCc2cccc3c2ccs3 55d418f616142d70ee11eda8fcbdcdbe [0,1,0,0,1,0|2,0,0]=4 2270 B17R3.212234 CC1(CC1)NCc2cccc3c2nco3 54f400059924fc844d91d894c0738134 [0,1,0,0,1,0|2,0,0]=4 2271 B17R3.212234 CC1(CC1)NCc2cccc3c2ncs3 d4583ae6c177e822d636c5d960c2617a [0,1,0,0,1,0|2,0,0]=4 2272 B17R3.212234 CC1(CC1)NCc2cccc3c2ocn3 0210826805f2ec09c023bae6e787082e [0,1,0,0,1,0|1,1,0]=4 2273 B17R3.212234 CC1(CC1)NCc2cccc3c2scc3 efc09a7076564ff8bd21f162365b8c22 [0,1,0,0,1,0|0,0,0]=2 2274 B17R3.212234 CC1(CC1)NCc2cccc3c2scn3 b2b43736506a14e53966f705cf4346be [0,1,0,0,1,0|1,0,0]=3 2275 B17R3.212234 CC1(CC1)NCc2cccc3n2ncc3 c35b53ca855c540e4db2e16d495deb49 [0,1,0,0,1,0|2,0,0]=4 2276 B17R3.212234 FC1(CC1)CNc2cccc3c2[nH]cc3 e45c9389a27ad499423fc71515ff2a1f [0,1,0,0,1,0|1,0,0]=3 2277 B17R3.212234 FC1(CC1)CNc2cccc3c2[nH]nc3 69b9e44c138801326a30c4f80c33006c [0,1,0,0,1,0|2,0,0]=4 2278 B17R3.212234 FC1(CC1)CNc2cccc3c2cc[nH]3 2345924d4f89aa52de65f472ec13b527 [0,1,0,0,1,0|2,0,0]=4 2279 B17R3.212234 FC1(CC1)CNc2cccc3c2cco3 c41203f33c79548a5402faf6851327bb [0,1,0,0,1,0|2,0,0]=4 2280 B17R3.212234 FC1(CC1)CNc2cccc3c2ccs3 5c6be0c1ee11c2a60b371fceacbe9679 [0,1,0,0,1,0|2,0,0]=4 2281 B17R3.212234 FC1(CC1)CNc2cccc3c2nc[nH]3 4e4c770cb7eca9838e37003c4ebbbc4f [0,1,0,0,1,0|2,0,0]=4 2282 B17R3.212234 FC1(CC1)CNc2cccc3c2nco3 33327588404817d6aa113acbd9b5cc93 [0,1,0,0,1,0|2,0,0]=4 2283 B17R3.212234 FC1(CC1)CNc2cccc3c2snc3 76872b5cf28217e9ee466f738702525c [0,1,0,0,1,0|1,0,0]=3 2284 B17R3.212234 FC1(CC1)CNc2cccc3n2ncc3 f6e443234b76729762404eb724915ef4 [0,1,0,0,1,0|2,0,0]=4 2285 B17R3.212234 FC1(CC1)CNc2cccn3c2ncc3 3932740895edc9ca274231016b450ef5 [0,1,0,0,1,0|2,0,0]=4 2286 B17R3.212234 FC1(CC1)CNc2ccnc3c2[nH]cc3 8e8c473aaa6d8f5a10757d0f103449bc [0,1,0,0,1,0|2,0,0]=4 2287 B17R3.212234 FC1(CC1)CNc2ccnc3c2occ3 98e89dca57e5fe1f77a408b88373e2fa [0,1,0,0,1,0|1,1,0]=4 2288 B17R3.212234 FC1(CC1)CNc2ccnc3c2scc3 4a61e0538e4d8bebaedb5f840b69fb5d [0,1,0,0,1,0|1,0,0]=3 2289 B17R3.212234 FC1(CC1)CNc2cncc3c2[nH]cc3 235532cd060ad4720db92b17938bbbf9 [0,1,0,0,1,0|2,0,0]=4 2290 B17R3.212234 FC1(CC1)CNc2nccc3c2[nH]cc3 5c28992bf4a3e6ee8466dff34efdeeb7 [0,1,0,0,1,0|2,0,0]=4 2291 B17R3.212234 FC1(CC1)CNc2nccc3c2occ3 a53df884b8ae9932f8d06dbd7f18b935 [0,1,0,0,1,0|1,1,0]=4 2292 B17R3.212234 FC1(CC1)CNc2nccc3c2scc3 5897424ca45c01afb4182112743a2aa7 [0,1,0,0,1,0|1,0,0]=3 2293 B17R3.212234 FC1(CC1)CNc2ncnc3c2scc3 30238045a48946cc5d1d5eadafb49b13 [0,1,0,0,1,0|2,0,0]=4 2294 B17R3.212234 FC1(CC1)COc2cccc3c2[nH]cc3 3bdc864d91d8eca913cbbf33b1d551da [0,1,0,0,1,0|2,0,0]=4 2295 B17R3.212234 FC1(CC1)COc2cccc3c2occ3 610bc8c3587ff32b36acb1fdbe57339c [0,1,0,0,1,0|1,1,0]=4 2296 B17R3.212234 FC1(CC1)COc2cccc3c2scc3 3e6cbb82881b374adc3963dbd6f93e2f [0,1,0,0,1,0|1,0,0]=3 2297 B17R3.212234 FC1(CC1)COc2cccc3c2scn3 f6905fc747319bff3407c9e8c2cab609 [0,1,0,0,1,0|2,0,0]=4 2298 B17R3.212234 FC1(CC1)COc2ccnc3c2scc3 969349955ab09e8f307e532ca35a60d7 [0,1,0,0,1,0|2,0,0]=4 2299 B17R3.212234 OC1(CC1)CNc2cccc3c2[nH]cc3 2f8ef4740f39dfc5fdc8fe402f976f5a [0,1,0,0,1,0|1,0,0]=3 2300 B17R3.212234 OC1(CC1)CNc2cccc3c2nco3 0cd5c64e247b1cc350a9d8f08a65777b [0,1,0,0,1,0|2,0,0]=4 2301 B17R3.212234 OC1(CC1)CNc2cccc3c2scc3 a0deb1dc9f8c3a0fc5f89df6f0630eb3 [0,1,0,0,1,0|0,0,0]=2 2302 B17R3.212234 OC1(CC1)CNc2cccc3n2ncc3 705e373dde8381c8b37acec0d3b5f57f [0,1,0,0,1,0|2,0,0]=4 2303 B17R3.274315 Cc1c[nH]c2c1c(ccc2)NCC3CC3 c91101f670cf0416db44b3d439ad0f59 [0,1,0,0,1,0|2,0,0]=4 2304 B17R3.274315 Cn1ccc2c1c(ccc2)CNC3CC3 10c668283770c2c3bb97ae2080d9ba91 [0,1,0,0,1,0|1,0,0]=3 2305 B17R3.274315 Cn1ccc2c1c(ccc2)COC3CC3 8ba2564b9fb09daf48394cba08285349 [0,1,0,0,1,0|2,0,0]=4 2306 B17R3.274315 Cn1ccc2c1c(ccc2)NCC3CC3 091436c3c0319893ec2e529799701ffb [0,1,0,0,1,0|1,0,0]=3 2307 B17R3.274315 Cn1ccc2c1c(ncc2)NCC3CC3 c4ab76b777767a29cce86a4d6f1e5dac [0,1,0,0,1,0|2,0,0]=4 2308 B17R3.274315 Cn1cnc2c1c(ccc2)NCC3CC3 e1602bd0e6842e21fef8e43e10fba08b [0,1,0,0,1,0|2,0,0]=4 2309 B17R3.274315 Cn1ncc2c1c(ccc2)CNC3CC3 65d67bdc3decc75d64aeb86c2355044c [0,1,0,0,1,0|2,0,0]=4 2310 B17R3.274315 Cn1ncc2c1c(ccc2)NCC3CC3 c3d3af607f312e42094dc967979b7edc [0,1,0,0,1,0|2,0,0]=4 2311 B17R3.483750 CC(OC1CC1)c2cccc3c2CC=C3 bdbc6d8835b96f3517be881771c7a1af [0,1,0,0,1,0|2,0,0]=4 2312 B17R3.483750 CN(CC1CC1)c2cccc3c2[nH]nc3 3b2f6ca5f2d06a73210f230f2c471542 [0,1,0,0,1,0|2,0,0]=4 2313 B17R3.483750 CN(CC1CC1)c2cccc3c2ccs3 4bb466c648dc723d185ea51c8eadcc5c [0,1,0,0,1,0|2,0,0]=4 2314 B17R3.483750 CN(CC1CC1)c2ccnc3c2scc3 0c962613d131d916533df97b9186a460 [0,1,0,0,1,0|1,0,0]=3 2315 B17R3.483750 O=C(NC1CC1)c2cccc3c2occ3 4f8c724fbd1dd86fa87372b75b34127a [0,1,0,0,1,0|0,1,1]=4 2316 B17R3.483750 O=C(NC1CC1)c2cccc3c2scc3 806f24bead908810696a24e31f18b700 [0,1,0,0,1,0|0,0,1]=3 2317 B17R3.483750 O=C(NC1CC1)c2cccc3c2scn3 768f85871091240280f1c37a9731eaf4 [0,1,0,0,1,0|1,0,1]=4 2318 B17R3.483750 O=C(NC1CC1)c2cccc3c2snc3 a42aa607e4fcc1b2a3092ca33ce42bbb [0,1,0,0,1,0|1,0,1]=4 2319 B17R3.483750 O=C(NC1CC1)c2ccnc3c2scc3 9684685519d86a9017996e13a764cde3 [0,1,0,0,1,0|1,0,1]=4 2320 B17R3.483750 O=C(NC1CC1)c2nccc3c2scc3 9d8abdaeca392f672486f3c3625daeb8 [0,1,0,0,1,0|1,0,1]=4 2321 B17R3.484355 CC(Nc1cccc2c1[nH]nc2)C3CC3 6714611d2e918883a07a894d8f951cca [0,1,0,0,1,0|2,0,0]=4 2322 B17R3.484355 CC(Nc1cccc2c1nc[nH]2)C3CC3 8b509166aa0d3c6ed8317a99e39d5f14 [0,1,0,0,1,0|2,0,0]=4 2323 B17R3.484355 CC(Nc1cccc2c1nco2)C3CC3 825c7f0c429aeb86de27e28edc89a4d7 [0,1,0,0,1,0|2,0,0]=4 2324 B17R3.484355 CC(Nc1cccn2c1ncc2)C3CC3 7b28aab3a06182ef3fb0113225ecb4c2 [0,1,0,0,1,0|2,0,0]=4 2325 B17R3.484355 CC(Nc1ccnc2c1[nH]cc2)C3CC3 b33c80d694b713fed167e83d90cd680a [0,1,0,0,1,0|2,0,0]=4 2326 B17R3.484355 CC(Nc1ccnc2c1occ2)C3CC3 4856c1bf87e43083977570862f6219b0 [0,1,0,0,1,0|1,1,0]=4 2327 B17R3.484355 CC(Nc1ccnc2c1scc2)C3CC3 887bafccb1bb50fe2d856d418fe456bb [0,1,0,0,1,0|1,0,0]=3 2328 B17R3.484355 CC(Nc1nccc2c1[nH]cc2)C3CC3 bf553af11563c3b5e3b15523d7864deb [0,1,0,0,1,0|2,0,0]=4 2329 B17R3.484355 CC(Nc1nccc2c1occ2)C3CC3 1d02dec5b4cb86132c86e90d582062b2 [0,1,0,0,1,0|1,1,0]=4 2330 B17R3.484355 CC(Nc1nccc2c1scc2)C3CC3 550ea2fea39a658259fbdc59a1520f23 [0,1,0,0,1,0|1,0,0]=3 2331 B17R3.484355 CC(Oc1cccc2c1occ2)C3CC3 21a6ea8cd205f489e936173c597f5147 [0,1,0,0,1,0|1,1,0]=4 2332 B17R3.484355 CC(Oc1ccnc2c1scc2)C3CC3 92a183cca96683ce233a493db8a4af01 [0,1,0,0,1,0|2,0,0]=4 2333 B17R3.484355 CN(Cc1cccc2c1[nH]nc2)C3CC3 e99041489b7ff49c79d7f77d06588a69 [0,1,0,0,1,0|2,0,0]=4 2334 B17R3.484355 CN(Cc1cccc2c1cc[nH]2)C3CC3 0029ecc428f1cad039b8e97c105f048f [0,1,0,0,1,0|2,0,0]=4 2335 B17R3.484355 CN(Cc1cccc2c1ccs2)C3CC3 201dce1cb7c6eab93d1c8337b1b59874 [0,1,0,0,1,0|2,0,0]=4 2336 B17R3.484355 CN(Cc1cccc2c1nco2)C3CC3 53f45931257a1ae21d3d3cd49633e76d [0,1,0,0,1,0|2,0,0]=4 2337 B17R3.484355 CN(Cc1cccc2c1ncs2)C3CC3 ff2297591f946db70baa3889439ad758 [0,1,0,0,1,0|2,0,0]=4 2338 B17R3.484355 CN(Cc1cccc2c1ocn2)C3CC3 fb1e8a0e56e79060f5400b8be7fc53b9 [0,1,0,0,1,0|1,1,0]=4 2339 B17R3.484355 CN(Cc1cccc2c1scc2)C3CC3 7475f9b4bf22d862f3b4abd5eb69e2bc [0,1,0,0,1,0|0,0,0]=2 2340 B17R3.484355 CN(Cc1cccc2n1ncc2)C3CC3 2dec5bc267028c5c9ddabcb0d26f6c16 [0,1,0,0,1,0|2,0,0]=4 2341 B17R3.484355 C[C@@H](Nc1cccc2c1nco2)C3CC3 11715bbd8326eca2badf6dcc168eb973 [0,1,0,0,1,0|2,0,0]=4 2342 B17R3.484355 C[C@@H](Nc1cccc2c1scc2)C3CC3 90b610de19b18606c141ca996afe2363 [0,1,0,0,1,0|0,0,0]=2 2343 B17R3.484355 C[C@@H](Nc1cccn2c1ccc2)C3CC3 263729c81780aee21f3245a1b6887b36 [0,1,0,0,1,0|2,0,0]=4 2344 B17R3.484355 C[C@@H](Nc1cccn2c1ncc2)C3CC3 2301da3321d6f56b7f617e4bf07bc7f5 [0,1,0,0,1,0|2,0,0]=4 2345 B17R3.484355 C[C@@H](Nc1nccc2c1[nH]cc2)C3CC3 7525fc3c8210ae1e1cc3bab4537f34dc [0,1,0,0,1,0|2,0,0]=4 2346 B17R3.484355 C[C@@H](Nc1nccc2c1scc2)C3CC3 fd4662de0987612fb3b6a78883c762a8 [0,1,0,0,1,0|1,0,0]=3 2347 B17R3.484355 C[C@@H](Nc1nccc2c1scn2)C3CC3 fb95e0f647d99b213f279577762e57c1 [0,1,0,0,1,0|2,0,0]=4 2348 B17R3.484355 C[C@H](Nc1cccc2c1nco2)C3CC3 3f16a0a7e10ff08034264e446e40131c [0,1,0,0,1,0|2,0,0]=4 2349 B17R3.484355 C[C@H](Nc1cccc2c1scc2)C3CC3 0ce97fb52204318b5cbab332c66ee5b3 [0,1,0,0,1,0|0,0,0]=2 2350 B17R3.484355 C[C@H](Nc1cccn2c1ccc2)C3CC3 82e122ed9a8b07e64f3be353131911a2 [0,1,0,0,1,0|2,0,0]=4 2351 B17R3.484355 C[C@H](Nc1cccn2c1ncc2)C3CC3 0ae5f8356910c8899278ded0dba570ca [0,1,0,0,1,0|2,0,0]=4 2352 B17R3.484355 C[C@H](Nc1nccc2c1[nH]cc2)C3CC3 f036afbad52326997b96dde515c2f234 [0,1,0,0,1,0|2,0,0]=4 2353 B17R3.484355 C[C@H](Nc1nccc2c1scc2)C3CC3 0792e1573e84e330ad3c88fe25f58408 [0,1,0,0,1,0|1,0,0]=3 2354 B17R3.484355 C[C@H](Nc1nccc2c1scn2)C3CC3 e0afb3d5f0c71fee960cd459a4e19ca8 [0,1,0,0,1,0|2,0,0]=4 2355 B17R3.67232 O=C(NCC1CC1)c2ccn3c2scc3 a0079d7665bdaec71911d016645a2dad [0,1,0,0,1,0|1,0,1]=4 2356 B19R3.304 CC1CC1COCc2cccc3c2cccc3 9fa096b1570d3351cb2c3696d09dc947 [0,1,0,0,0,1|2,0,0]=4 2357 B19R3.304 CC1CC1COCc2cccc3c2cccn3 94e6e7bcbc258f30d43fb0bf7e0cceeb [0,1,0,0,0,1|2,0,0]=4 2358 B19R3.304 CC1CC1COCc2cccc3c2cncc3 e0db6208c512abec90057feb40cf0655 [0,1,0,0,0,1|2,0,0]=4 2359 B19R3.304 CC1CC1COCc2cccc3c2nccc3 c54af4b27e62ed073cce0189fcf31f3a [0,1,0,0,0,1|2,0,0]=4 2360 B19R3.304 CC1CC1COCc2cccc3c2nccn3 8e2fb2286320e07caae74a5fb5286bd7 [0,1,0,0,0,1|2,0,0]=4 2361 B19R3.304 C[C@@H]1C[C@H]1COCc2cccc3c2cccc3 e57371c96ee3014d3ea64f44cbd04cc6 [0,1,0,0,0,1|2,0,0]=4 2362 B19R3.304 C[C@@H]1C[C@H]1COCc2cccc3c2cccn3 70be47b5417f6f5281264ed20f6bdc63 [0,1,0,0,0,1|2,0,0]=4 2363 B19R3.304 C[C@@H]1C[C@H]1COCc2cccc3c2cncc3 950da2788e6fe64d15075e7514281e0a [0,1,0,0,0,1|2,0,0]=4 2364 B19R3.304 C[C@@H]1C[C@H]1COCc2cccc3c2nccc3 62e4593bf5c70c05bbc85933b2ffac08 [0,1,0,0,0,1|2,0,0]=4 2365 B19R3.304 C[C@@H]1C[C@H]1COCc2cccc3c2nccn3 da83227e5aeac017e15300b89c5397d1 [0,1,0,0,0,1|2,0,0]=4 2366 B19R3.304 C[C@H]1C[C@@H]1COCc2cccc3c2cccc3 e671669826625722ffe2231629a4f110 [0,1,0,0,0,1|2,0,0]=4 2367 B19R3.304 C[C@H]1C[C@@H]1COCc2cccc3c2cccn3 3312d942e7738e94a80d6130720a4321 [0,1,0,0,0,1|2,0,0]=4 2368 B19R3.304 C[C@H]1C[C@@H]1COCc2cccc3c2cncc3 5c9de7e31d0bacaec4ee312c0734f181 [0,1,0,0,0,1|2,0,0]=4 2369 B19R3.304 C[C@H]1C[C@@H]1COCc2cccc3c2nccc3 b743c5628a20f1609c1d828490942bfc [0,1,0,0,0,1|2,0,0]=4 2370 B19R3.304 C[C@H]1C[C@@H]1COCc2cccc3c2nccn3 29f0915ecfaf99aebcb14afff43ee19a [0,1,0,0,0,1|2,0,0]=4 2371 B19R3.304 C[C@H]1C[C@H]1COCc2cccc3c2cccc3 58bf0d3665614c27057a050e2ba354e2 [0,1,0,0,0,1|2,0,0]=4 2372 B19R3.304 C[C@H]1C[C@H]1COCc2cccc3c2cccn3 1643a68952a19a674ff378a91c35d6d4 [0,1,0,0,0,1|2,0,0]=4 2373 B19R3.304 C[C@H]1C[C@H]1COCc2cccc3c2cncc3 1b20119ac5ff9e7d41a08fe29a24e466 [0,1,0,0,0,1|2,0,0]=4 2374 B19R3.304 C[C@H]1C[C@H]1COCc2cccc3c2nccc3 2be3e41da14a32c92791798d3748ada3 [0,1,0,0,0,1|2,0,0]=4 2375 B19R3.304 C[C@H]1C[C@H]1COCc2cccc3c2nccn3 aed0f6e2bf1f220f90ab55d8ebf4f477 [0,1,0,0,0,1|2,0,0]=4 2376 B19R3.304 F[C@@H]1C[C@@H]1COCc2cccc3c2cccc3 ddc677cd2b0937fd4a9df1b742117ecc [0,1,0,0,0,1|2,0,0]=4 2377 B19R3.304 F[C@@H]1C[C@@H]1COCc2cccc3c2cccn3 4697f3d59b7291c8f442100234fab1c3 [0,1,0,0,0,1|2,0,0]=4 2378 B19R3.304 F[C@@H]1C[C@@H]1COCc2cccc3c2cncc3 2b800f558d01b076b5fed765b883cb36 [0,1,0,0,0,1|2,0,0]=4 2379 B19R3.304 F[C@@H]1C[C@@H]1COCc2cccc3c2nccc3 b2e2f3079e9fd9fbefd2bc55acd474cb [0,1,0,0,0,1|2,0,0]=4 2380 B19R3.304 F[C@@H]1C[C@@H]1COCc2cccc3c2nccn3 241234541059d51356dbd5df503b977d [0,1,0,0,0,1|2,0,0]=4 2381 B19R3.304 F[C@@H]1C[C@H]1COCc2cccc3c2cccc3 fb8374425511ce50197d5efbd5e5943c [0,1,0,0,0,1|2,0,0]=4 2382 B19R3.304 F[C@@H]1C[C@H]1COCc2cccc3c2cccn3 4f6bfb9ef14ccc0fcc5a7982971dce63 [0,1,0,0,0,1|2,0,0]=4 2383 B19R3.304 F[C@@H]1C[C@H]1COCc2cccc3c2cncc3 6510253a2a2cb4eda26516b7cc9dc3d2 [0,1,0,0,0,1|2,0,0]=4 2384 B19R3.304 F[C@@H]1C[C@H]1COCc2cccc3c2nccc3 aab101a1f049cdcbd3fad75101112481 [0,1,0,0,0,1|2,0,0]=4 2385 B19R3.304 F[C@@H]1C[C@H]1COCc2cccc3c2nccn3 0271162fc1735fe34d250663b6d33151 [0,1,0,0,0,1|2,0,0]=4 2386 B19R3.304 F[C@H]1C[C@@H]1COCc2cccc3c2cccc3 142d545a79011725044eec08057b5a42 [0,1,0,0,0,1|2,0,0]=4 2387 B19R3.304 F[C@H]1C[C@@H]1COCc2cccc3c2cccn3 96e3eb872c738a6861643500811fc176 [0,1,0,0,0,1|2,0,0]=4 2388 B19R3.304 F[C@H]1C[C@@H]1COCc2cccc3c2cncc3 1415021f3af4d6301c5c4a7fd5e0d2f2 [0,1,0,0,0,1|2,0,0]=4 2389 B19R3.304 F[C@H]1C[C@@H]1COCc2cccc3c2nccc3 9d0f6433864b5b5d01ddd25e6ec88a38 [0,1,0,0,0,1|2,0,0]=4 2390 B19R3.304 F[C@H]1C[C@@H]1COCc2cccc3c2nccn3 b275577ba39d0b3e6f7555cf64fcb1be [0,1,0,0,0,1|2,0,0]=4 2391 B19R3.304 F[C@H]1C[C@H]1COCc2cccc3c2cccc3 20ff7055c1efff3af753ea64195c10d7 [0,1,0,0,0,1|2,0,0]=4 2392 B19R3.304 F[C@H]1C[C@H]1COCc2cccc3c2cccn3 a25db40a39fe5747b1bec3bf4372a5c7 [0,1,0,0,0,1|2,0,0]=4 2393 B19R3.304 F[C@H]1C[C@H]1COCc2cccc3c2cncc3 36721b4d7aa5b5be49ec970ed840a6d7 [0,1,0,0,0,1|2,0,0]=4 2394 B19R3.304 F[C@H]1C[C@H]1COCc2cccc3c2nccc3 1ec097589cf34f4ff5b67ab21362b30b [0,1,0,0,0,1|2,0,0]=4 2395 B19R3.304 F[C@H]1C[C@H]1COCc2cccc3c2nccn3 bc52a0b3604246cdb2e5fab3d663624d [0,1,0,0,0,1|2,0,0]=4 2396 B19R3.4215 Cc1cc2cccc(c2cn1)COCC3CC3 9078d2ad5ac241d689edbbb9cddf7e0d [0,1,0,0,0,1|2,0,0]=4 2397 B19R3.8276 Brc1cccc2c1cccc2COCC3CC3 c1c708dfd87f297018ddd1294b3fde9b [0,1,0,0,0,1|2,0,0]=4 2398 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CC3 9c23915238e8f9d965d38e009f563039 [0,1,0,0,0,1|1,0,0]=3 2399 B19R3.22105 CN(Cc1cccc2c1cccn2)CC3CC3 c99f0c724b0280a6ece8de20e76cdeb2 [0,1,0,0,0,1|1,0,0]=3 2400 B19R3.22105 CN(Cc1cccc2c1ccnc2)CC3CC3 d877460520fcbd96246efd365e67d37e [0,1,0,0,0,1|1,0,0]=3 2401 B19R3.22105 CN(Cc1cccc2c1cncc2)CC3CC3 a65c01a2445efab70d9af63fda7735af [0,1,0,0,0,1|1,0,0]=3 2402 B19R3.22105 CN(Cc1cccc2c1nccc2)CC3CC3 baaff9e01109c53b4aae7ab9dd201bc8 [0,1,0,0,0,1|1,0,0]=3 2403 B19R3.22105 CN(Cc1cccc2c1nccn2)CC3CC3 f9e9949e8e0ec50bd1114517f965ee09 [0,1,0,0,0,1|1,0,0]=3 2404 B19R3.22105 CN(Cc1ccnc2c1cccc2)CC3CC3 8f10bac577e012ce21f2e822d47b541f [0,1,0,0,0,1|2,0,0]=4 2405 B19R3.22105 CN(Cc1nccc2c1cccc2)CC3CC3 6516602c9ac03bf61d0659dc7eec5484 [0,1,0,0,0,1|2,0,0]=4 2406 B19R3.66670 BrC1(CC1)COCc2cccc3c2cccc3 c0fff88b44c6e308b8c37ec8d5bec7a2 [0,1,0,0,0,1|2,0,0]=4 2407 B19R3.66670 BrC1(CC1)COCc2cccc3c2cccn3 00a05d80225bbf705dcd2b5f9acbcd2d [0,1,0,0,0,1|2,0,0]=4 2408 B19R3.66670 BrC1(CC1)COCc2cccc3c2cncc3 b8e2533b2ae62c4ccc72cde8e5b6b118 [0,1,0,0,0,1|2,0,0]=4 2409 B19R3.66670 BrC1(CC1)COCc2cccc3c2nccc3 fdd4d1ec2306e0e6382a4b7b371c3e9a [0,1,0,0,0,1|2,0,0]=4 2410 B19R3.66670 BrC1(CC1)COCc2cccc3c2nccn3 5d7a29e40d7b3c09d1e5bad227892b13 [0,1,0,0,0,1|2,0,0]=4 2411 B19R3.66670 CC1(CC1)CNCc2cccc3c2cccc3 5814fb8ffda3d55385accf91abba5009 [0,1,0,0,0,1|1,0,0]=3 2412 B19R3.66670 CC1(CC1)CNCc2cccc3c2cccn3 b3d8ab7dcb9fdfa7f3074eca62e456f1 [0,1,0,0,0,1|1,0,0]=3 2413 B19R3.66670 CC1(CC1)CNCc2cccc3c2ccnc3 f99d66e6cc897a577c14c7cef23af7e0 [0,1,0,0,0,1|1,0,0]=3 2414 B19R3.66670 CC1(CC1)CNCc2cccc3c2cncc3 f5c0b2ba284b6a24d0d24d5e0700c060 [0,1,0,0,0,1|1,0,0]=3 2415 B19R3.66670 CC1(CC1)CNCc2cccc3c2nccc3 258f5c149e33436f6d20b36b8af7b127 [0,1,0,0,0,1|1,0,0]=3 2416 B19R3.66670 CC1(CC1)CNCc2cccc3c2nccn3 35dc18063b602222bdf2c8a38949865c [0,1,0,0,0,1|1,0,0]=3 2417 B19R3.66670 CC1(CC1)CNCc2ccnc3c2cccc3 38a5b7b71fc26a5a5f2806eb26cbe587 [0,1,0,0,0,1|2,0,0]=4 2418 B19R3.66670 CC1(CC1)CNCc2cncc3c2cccc3 e9a33b05cf0107488eea8b8e42c6aa30 [0,1,0,0,0,1|2,0,0]=4 2419 B19R3.66670 CC1(CC1)CNCc2nccc3c2cccc3 c1c1f744c375a0a424586adc8719de42 [0,1,0,0,0,1|2,0,0]=4 2420 B19R3.66670 CC1(CC1)COCc2cccc3c2cccc3 e1bd3d9e3608a641f20b485e3e55e219 [0,1,0,0,0,1|2,0,0]=4 2421 B19R3.66670 CC1(CC1)COCc2cccc3c2cccn3 b193e73384499c89aaf4825a2b86d328 [0,1,0,0,0,1|2,0,0]=4 2422 B19R3.66670 CC1(CC1)COCc2cccc3c2ccnc3 a729b24b9ddecb39130c8b84a8e69f3e [0,1,0,0,0,1|2,0,0]=4 2423 B19R3.66670 CC1(CC1)COCc2cccc3c2cncc3 1ac4f6be93c4077d7ee93a45dbdf9659 [0,1,0,0,0,1|2,0,0]=4 2424 B19R3.66670 CC1(CC1)COCc2cccc3c2nccc3 2e2457e438082874bb48c214a622ebab [0,1,0,0,0,1|2,0,0]=4 2425 B19R3.66670 CC1(CC1)COCc2cccc3c2nccn3 a58bb89d6979d5521b9908696ec2703a [0,1,0,0,0,1|2,0,0]=4 2426 B19R3.66670 ClC1(CC1)COCc2cccc3c2cccc3 47db0b0217a1eabd06b7bd07d09e3976 [0,1,0,0,0,1|2,0,0]=4 2427 B19R3.66670 ClC1(CC1)COCc2cccc3c2cccn3 2c5a550dd36dfbdd590bff13024f3b4b [0,1,0,0,0,1|2,0,0]=4 2428 B19R3.66670 ClC1(CC1)COCc2cccc3c2cncc3 c409e00e059c2667b4170e59e1fe5e1f [0,1,0,0,0,1|2,0,0]=4 2429 B19R3.66670 ClC1(CC1)COCc2cccc3c2nccc3 27b77a246c155fe9b88a64a941796323 [0,1,0,0,0,1|2,0,0]=4 2430 B19R3.66670 ClC1(CC1)COCc2cccc3c2nccn3 defa141d30b5209b19ca0a02420b92df [0,1,0,0,0,1|2,0,0]=4 2431 B19R3.66670 FC1(CC1)CNCc2cccc3c2cccc3 29eef33c0781f2104461607ce4d8a4c6 [0,1,0,0,0,1|1,0,0]=3 2432 B19R3.66670 FC1(CC1)CNCc2cccc3c2cccn3 a40d68ce68f3f2b7a7cef55a7988a01a [0,1,0,0,0,1|1,0,0]=3 2433 B19R3.66670 FC1(CC1)CNCc2cccc3c2ccnc3 365ab27467d15ec69c85af5fdd619b0f [0,1,0,0,0,1|1,0,0]=3 2434 B19R3.66670 FC1(CC1)CNCc2cccc3c2cncc3 bc738cb6ba9344b856c473f5cf8d64ae [0,1,0,0,0,1|1,0,0]=3 2435 B19R3.66670 FC1(CC1)CNCc2cccc3c2nccc3 debe00dd92f8a7794ceb905775a66640 [0,1,0,0,0,1|1,0,0]=3 2436 B19R3.66670 FC1(CC1)CNCc2cccc3c2nccn3 befa39e3bcc6bde7c1df0226fff95ba0 [0,1,0,0,0,1|1,0,0]=3 2437 B19R3.66670 FC1(CC1)CNCc2ccnc3c2cccc3 8b8b476353233c220ed881f08c7f9859 [0,1,0,0,0,1|2,0,0]=4 2438 B19R3.66670 FC1(CC1)CNCc2cncc3c2cccc3 b340911c426b2a26f409d85f4e746174 [0,1,0,0,0,1|2,0,0]=4 2439 B19R3.66670 FC1(CC1)CNCc2nccc3c2cccc3 2a5eff7c0d7799234bac1f315c998c50 [0,1,0,0,0,1|2,0,0]=4 2440 B19R3.66670 FC1(CC1)COCc2cccc3c2cccc3 370dca531fe7b511afd1da69e0f65806 [0,1,0,0,0,1|2,0,0]=4 2441 B19R3.66670 FC1(CC1)COCc2cccc3c2cccn3 9c985e2741d62940aea133b271836395 [0,1,0,0,0,1|2,0,0]=4 2442 B19R3.66670 FC1(CC1)COCc2cccc3c2ccnc3 d4173df5c493a643bec906248ef8880c [0,1,0,0,0,1|2,0,0]=4 2443 B19R3.66670 FC1(CC1)COCc2cccc3c2cncc3 5999d912fe3e7218777ada3afc4c9908 [0,1,0,0,0,1|2,0,0]=4 2444 B19R3.66670 FC1(CC1)COCc2cccc3c2nccc3 4aa48cd6cba795a5a26f07bda73e821c [0,1,0,0,0,1|2,0,0]=4 2445 B19R3.66670 FC1(CC1)COCc2cccc3c2nccn3 587bc2afff252a99f5b8b44686df6e5d [0,1,0,0,0,1|2,0,0]=4 2446 B19R3.66670 OC1(CC1)CNCc2cccc3c2cccc3 d647991a40adda1f26827a1870da9204 [0,1,0,0,0,1|1,0,0]=3 2447 B19R3.66670 OC1(CC1)CNCc2cccc3c2cccn3 e7ca8560c00d14edcac73c3dcb866c11 [0,1,0,0,0,1|1,0,0]=3 2448 B19R3.66670 OC1(CC1)CNCc2cccc3c2cncc3 aa8a4781c799e9c346d9332b0fb7ed23 [0,1,0,0,0,1|1,0,0]=3 2449 B19R3.66670 OC1(CC1)CNCc2cccc3c2nccc3 be7f8b00fe7c660429f4b42204069b49 [0,1,0,0,0,1|1,0,0]=3 2450 B19R3.66670 OC1(CC1)CNCc2cccc3c2nccn3 611985b0f5f5f75d4f29ab2dc213619c [0,1,0,0,0,1|1,0,0]=3 2451 B19R3.66670 OC1(CC1)CNCc2ccnc3c2cccc3 9466fd032fcf2ca804d2a36c0e05f5aa [0,1,0,0,0,1|2,0,0]=4 2452 B19R3.66670 OC1(CC1)CNCc2nccc3c2cccc3 eb9b1296b72a2f602073d9abcb83404e [0,1,0,0,0,1|2,0,0]=4 2453 B19R3.158309 Brc1cc(c2ccccc2c1)COCC3CC3 9ed3290438cc39537dbef5c16917b186 [0,1,0,0,0,1|2,0,0]=4 2454 B19R3.158309 Cc1cc(c2ccccc2c1)COCC3CC3 51a6ba5631f70e28c085bdf77f780e15 [0,1,0,0,0,1|2,0,0]=4 2455 B19R3.158309 Cc1cc(c2ccccc2n1)CNCC3CC3 1bd51fd1309eeaafd01ded52b2cb9eb0 [0,1,0,0,0,1|2,0,0]=4 2456 B19R3.158309 Clc1cc(c2ccccc2n1)CNCC3CC3 b74a3bf5105e76f8435be16fc4273b95 [0,1,0,0,0,1|2,0,0]=4 2457 B19R3.158309 Clc1cc(c2ncccc2c1)COCC3CC3 42022e7eb23c4a5f166f3f6676b86afd [0,1,0,0,0,1|2,0,0]=4 2458 B19R3.158309 Fc1cc(c2cnccc2c1)CNCC3CC3 e4e25192639832bb2b3f986e67ef4da0 [0,1,0,0,0,1|1,0,0]=3 2459 B19R3.158309 O=c1cc(c2ccccc2[nH]1)CNCC3CC3 bd91eb215c0857b75f3e207430911e08 [0,1,0,0,0,1|2,0,0]=4 2460 B19R3.158309 O=c1cc(c2ccccc2o1)CNCC3CC3 050b8f4f5dff2d216160bbca656f6e57 [0,1,0,0,0,1|2,0,0]=4 2461 B19R3.191202 Cc1ccc2ccccc2c1CNCC3CC3 4025581a4de50c7520b55810209c0b46 [0,1,0,0,0,1|1,0,0]=3 2462 B19R3.191202 Cc1ccc2ccccc2c1COCC3CC3 e45a35d0184199fe8eba050c5437f8ee [0,1,0,0,0,1|2,0,0]=4 2463 B19R3.191202 Cc1ccc2ncccc2c1CNCC3CC3 d315c1d3de4500c02c6ed920a96999ca [0,1,0,0,0,1|1,0,0]=3 2464 B19R3.191202 Clc1ccc2cccnc2c1COCC3CC3 078dbd1c3218b325bff1ff07323eb9af [0,1,0,0,0,1|2,0,0]=4 2465 B19R3.202720 CC(NCC1CC1)c2cccc3c2cccc3 05a4a505d83614b5df44928a6861ef6e [0,1,0,0,0,1|1,0,0]=3 2466 B19R3.202720 CC(OCC1CC1)c2cccc3c2cccc3 d002f98c6856f6fb264043e9cf90aca1 [0,1,0,0,0,1|2,0,0]=4 2467 B19R3.202720 CC(OCC1CC1)c2cccc3c2nccc3 ac7b1e0d7830dc871697390a7c181c4a [0,1,0,0,0,1|2,0,0]=4 2468 B19R3.202720 C[C@@H](NCC1CC1)c2cccc3c2CCC=C3 2ae075ff2a8586f25311c4984e0a1c67 [0,1,0,0,0,1|1,0,0]=3 2469 B19R3.202720 C[C@@H](NCC1CC1)c2cccc3c2cccc3 b34499e06e0713b2db4de145f8c3b49b [0,1,0,0,0,1|1,0,0]=3 2470 B19R3.202720 C[C@@H](NCC1CC1)c2cccc3c2nccc3 d00e526b7d0ccd651ae380dfa2929602 [0,1,0,0,0,1|1,0,0]=3 2471 B19R3.202720 C[C@@H](OCC1CC1)c2cccc3c2cccc3 14951f12c295b323e856734e3ee407fd [0,1,0,0,0,1|2,0,0]=4 2472 B19R3.202720 C[C@H](NCC1CC1)c2cccc3c2cccc3 9bc44f27e7ced9eeb9594219cf0aec59 [0,1,0,0,0,1|1,0,0]=3 2473 B19R3.202720 C[C@H](NCC1CC1)c2cccc3c2cccn3 5dc51d9c0c1921210f292089d60a6f65 [0,1,0,0,0,1|1,0,0]=3 2474 B19R3.202720 C[C@H](NCC1CC1)c2cccc3c2cncc3 aa7ff9413185563766f65630e04c1835 [0,1,0,0,0,1|1,0,0]=3 2475 B19R3.202720 C[C@H](OCC1CC1)c2cccc3c2cccc3 b33a34ac855abe603f5081142c7c29fe [0,1,0,0,0,1|2,0,0]=4 2476 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccc3 351b817eeb750cb83a10ef978c7f22c0 [0,1,0,0,0,1|1,0,1]=4 2477 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccn3 51d3b3572f4a9b61decba33132bfb4cd [0,1,0,0,0,1|1,0,1]=4 2478 B19R3.202720 O=C(NCC1CC1)c2cccc3c2ccnc3 4be4a1b752c1a9847b35aa31b56585bd [0,1,0,0,0,1|1,0,1]=4 2479 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cncc3 47452b8ed1727872afd60712208e699a [0,1,0,0,0,1|1,0,1]=4 2480 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccc3 1fee9a45fae76d1c4fdaa8bee0f745e5 [0,1,0,0,0,1|1,0,1]=4 2481 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccn3 5bbb094fd15d51a5d129820ef648bc1e [0,1,0,0,0,1|1,0,1]=4 2482 B19R3.202720 O=C(NCC1CC1)c2cccc3c2ncnc3 dc0763db79ec287a8d05092808b1544d [0,1,0,0,0,1|1,0,1]=4 2483 B19R3.425193 Brc1ccc(c2c1cccc2)CNCC3CC3 10cc550860bf817eb8b82f1a989948c3 [0,1,0,0,0,1|1,0,0]=3 2484 B19R3.425193 Brc1ccc(c2c1cccc2)COCC3CC3 ab5149c9c9cb6b0332c378e7d3d680b5 [0,1,0,0,0,1|2,0,0]=4 2485 B19R3.425193 Brc1ccc(c2c1cccn2)CNCC3CC3 2dbe4f65f54a9c16ac87ad19ad9197d6 [0,1,0,0,0,1|1,0,0]=3 2486 B19R3.425193 Brc1ccc(c2c1cccn2)COCC3CC3 42783bcb14fa77370df0b2a7ea0d47c5 [0,1,0,0,0,1|2,0,0]=4 2487 B19R3.425193 Cc1ccc(c2c1cccc2)CNCC3CC3 6344aab82eaa808762d10de5ffe3a221 [0,1,0,0,0,1|1,0,0]=3 2488 B19R3.425193 Cc1ccc(c2c1cccc2)COCC3CC3 9a0f36c2bf1ba2a256ce7409286fa6fb [0,1,0,0,0,1|2,0,0]=4 2489 B19R3.425193 Cc1ccc(c2c1nccc2)CNCC3CC3 3f23b3335f47e26b2e48bca9d2936b61 [0,1,0,0,0,1|1,0,0]=3 2490 B19R3.425193 Cc1ccc(c2c1nccc2)COCC3CC3 6cd5ac61a6e1fd93385af3eff7523a52 [0,1,0,0,0,1|2,0,0]=4 2491 B19R3.425193 Clc1ccc(c2c1cccc2)CNCC3CC3 755bb4e5f10fd4dff2d61e9e778c45ce [0,1,0,0,0,1|1,0,0]=3 2492 B19R3.425193 Clc1ccc(c2c1cccc2)COCC3CC3 64f463d49f6eac6961af871fa7f3b67c [0,1,0,0,0,1|2,0,0]=4 2493 B19R3.425193 Fc1ccc(c2c1cccc2)CNCC3CC3 bd30dca2c89e84ebf78da0c46d698306 [0,1,0,0,0,1|1,0,0]=3 2494 B19R3.425193 Fc1ccc(c2c1cccc2)COCC3CC3 69057860ab95022a46a721904eb9c552 [0,1,0,0,0,1|2,0,0]=4 2495 B19R3.425193 Fc1ccc(c2c1ccnc2)COCC3CC3 3af2493bcb3c6a68799c789ee415579b [0,1,0,0,0,1|2,0,0]=4 2496 B19R3.425193 Fc1ccc(c2c1nccc2)COCC3CC3 e718e2c6b19253dd53e9ef074e228b7b [0,1,0,0,0,1|2,0,0]=4 2497 B19R3.678495 CC(NCc1cccc2c1cccc2)C3CC3 fc33c9e7c4cac67123ecc45ccd906798 [0,1,0,0,0,1|1,0,0]=3 2498 B19R3.678495 CC(NCc1cccc2c1cccn2)C3CC3 2b5b1007dcf6d74255c106ba04fb403e [0,1,0,0,0,1|1,0,0]=3 2499 B19R3.678495 CC(NCc1cccc2c1ccnc2)C3CC3 6abefe9464ce3b8723cd5d5af5ba1ac0 [0,1,0,0,0,1|1,0,0]=3 2500 B19R3.678495 CC(NCc1cccc2c1cncc2)C3CC3 a35bcb23fa1fcb7a693e707925a4c159 [0,1,0,0,0,1|1,0,0]=3 2501 B19R3.678495 CC(NCc1cccc2c1nccc2)C3CC3 2a282d400c60d5f93f5f0403e586893d [0,1,0,0,0,1|1,0,0]=3 2502 B19R3.678495 CC(NCc1cccc2c1nccn2)C3CC3 c1e77f46359eae7530807a33f4472eab [0,1,0,0,0,1|1,0,0]=3 2503 B19R3.678495 CC(NCc1ccnc2c1cccc2)C3CC3 81a1a717c5b62b502fa1122d50ebdb8c [0,1,0,0,0,1|2,0,0]=4 2504 B19R3.678495 CC(OCc1cccc2c1cccc2)C3CC3 daf62c6ec25a18c0611891d69e305b11 [0,1,0,0,0,1|2,0,0]=4 2505 B19R3.678495 CC(OCc1cccc2c1cccn2)C3CC3 65ebcb96ac64e5775f8a53ee2f22dc26 [0,1,0,0,0,1|2,0,0]=4 2506 B19R3.678495 CC(OCc1cccc2c1cncc2)C3CC3 51862769415febb4a97ca7570e5ad01a [0,1,0,0,0,1|2,0,0]=4 2507 B19R3.678495 CC(OCc1cccc2c1nccc2)C3CC3 7183650cfc8cb1f1a505e5d2543d0dec [0,1,0,0,0,1|2,0,0]=4 2508 B19R3.678495 CC(OCc1cccc2c1nccn2)C3CC3 6da468d78832d05fca73eba57d68218c [0,1,0,0,0,1|2,0,0]=4 2509 B19R3.678495 C[C@@H](NCc1cccc2c1cccc2)C3CC3 bbe179ae229ae976dae7e358bc8f6d70 [0,1,0,0,0,1|1,0,0]=3 2510 B19R3.678495 C[C@@H](NCc1cccc2c1cccn2)C3CC3 59b5dae16c6b9fac23d88deb4ecc3627 [0,1,0,0,0,1|1,0,0]=3 2511 B19R3.678495 C[C@@H](NCc1cccc2c1cncc2)C3CC3 ceb5e77f995076358adab57aa2452e2f [0,1,0,0,0,1|1,0,0]=3 2512 B19R3.678495 C[C@@H](NCc1cccc2c1nccc2)C3CC3 8c20ea3a04d922db8a908b8d8db969b0 [0,1,0,0,0,1|1,0,0]=3 2513 B19R3.678495 C[C@@H](NCc1cccc2c1nccn2)C3CC3 d3f5563389db048ca07516a72b5bd91f [0,1,0,0,0,1|1,0,0]=3 2514 B19R3.678495 C[C@@H](NCc1ccnc2c1cccc2)C3CC3 63e235854667687c99525b5f69536843 [0,1,0,0,0,1|2,0,0]=4 2515 B19R3.678495 C[C@@H](NCc1nccc2c1cccc2)C3CC3 0155b53e5b8825e7c64b592adbd4feef [0,1,0,0,0,1|2,0,0]=4 2516 B19R3.678495 C[C@@H](OCc1cccc2c1cccc2)C3CC3 bc3ebb97ced51b54028359213f6233bb [0,1,0,0,0,1|2,0,0]=4 2517 B19R3.678495 C[C@@H](OCc1cccc2c1cccn2)C3CC3 1de8ebd503ff3e3767ba0b414713f2c9 [0,1,0,0,0,1|2,0,0]=4 2518 B19R3.678495 C[C@@H](OCc1cccc2c1cncc2)C3CC3 0d402ebc399de95cd4f8e710c5624e59 [0,1,0,0,0,1|2,0,0]=4 2519 B19R3.678495 C[C@@H](OCc1cccc2c1nccc2)C3CC3 c149d57422f64f59a0753ef721b48739 [0,1,0,0,0,1|2,0,0]=4 2520 B19R3.678495 C[C@@H](OCc1cccc2c1nccn2)C3CC3 68d2696cb476c03dd903b5c5272ecfda [0,1,0,0,0,1|2,0,0]=4 2521 B19R3.678495 C[C@H](NCc1cccc2c1cccc2)C3CC3 0b4a2cdf0af695bbab4f29a220562315 [0,1,0,0,0,1|1,0,0]=3 2522 B19R3.678495 C[C@H](NCc1cccc2c1cccn2)C3CC3 13e45b439dd75f86d729cef930685b15 [0,1,0,0,0,1|1,0,0]=3 2523 B19R3.678495 C[C@H](NCc1cccc2c1cncc2)C3CC3 952e808b4d611cbb334e0d1e4bf0b222 [0,1,0,0,0,1|1,0,0]=3 2524 B19R3.678495 C[C@H](NCc1cccc2c1nccc2)C3CC3 90cb481fc36f27acb2662c368d2d0659 [0,1,0,0,0,1|1,0,0]=3 2525 B19R3.678495 C[C@H](NCc1cccc2c1nccn2)C3CC3 fda96b15cfef5d7dc80d789dd4eae3f7 [0,1,0,0,0,1|1,0,0]=3 2526 B19R3.678495 C[C@H](NCc1ccnc2c1cccc2)C3CC3 c96a65498b17f2dd34923a3554eacf9b [0,1,0,0,0,1|2,0,0]=4 2527 B19R3.678495 C[C@H](NCc1nccc2c1cccc2)C3CC3 6f67d5e6dc90703bdf0053006f9651e7 [0,1,0,0,0,1|2,0,0]=4 2528 B19R3.678495 C[C@H](OCc1cccc2c1cccc2)C3CC3 36fc9c8ae25b4656861ff9893acd3e7b [0,1,0,0,0,1|2,0,0]=4 2529 B19R3.678495 C[C@H](OCc1cccc2c1cccn2)C3CC3 0f4672563b4730e447b063f1dd1faa8b [0,1,0,0,0,1|2,0,0]=4 2530 B19R3.678495 C[C@H](OCc1cccc2c1cncc2)C3CC3 87b32724445e97b74188b9f0fdd40d16 [0,1,0,0,0,1|2,0,0]=4 2531 B19R3.678495 C[C@H](OCc1cccc2c1nccc2)C3CC3 a511b280bdf6aaf01d1bf4b3537eb858 [0,1,0,0,0,1|2,0,0]=4 2532 B19R3.678495 C[C@H](OCc1cccc2c1nccn2)C3CC3 7fcd729a2880bafdefcdb73531224865 [0,1,0,0,0,1|2,0,0]=4 2533 B19R3.2162956 Brc1ccc2nccc(c2c1)CNCC3CC3 267eba768d718882ad51d6fe01a204b0 [0,1,0,0,0,1|2,0,0]=4 2534 B19R3.9626326 Brc1cccc2c1c(ccc2)CNCC3CC3 e3da57c1f401853e620727e3ff66c43a [0,1,0,0,0,1|1,0,0]=3 2535 B19R3.9626326 Brc1cccc2c1c(ccc2)COCC3CC3 f04cf62e362a2d70ad46b65233976e50 [0,1,0,0,0,1|2,0,0]=4 2536 B19R3.9626326 Cc1cccc2c1c(ccc2)COCC3CC3 935e79988b7e5c4c51f00fa9ba50e0f9 [0,1,0,0,0,1|2,0,0]=4 2537 B19R3.2337 Cn1ccc2c1cccc2CNCC3CCC3 786d07b089669da4154b48a50ff67734 [0,1,0,0,0,1|2,0,0]=4 2538 B19R3.2337 Cn1ccc2c1cccc2CNCC3CCO3 f904eadc86125c542462a3be7414d7d8 [0,1,0,0,0,1|2,0,0]=4 2539 B19R3.2337 Cn1ccc2c1cccc2CNCC3COC3 3e3fb4539ab93a45c992bd992175fec6 [0,1,0,0,0,1|2,0,0]=4 2540 B19R3.2337 Cn1ccc2c1cccc2CNC[C@@H]3CCO3 8af4d887a104e8b10ceae3311eb1c594 [0,1,0,0,0,1|2,0,0]=4 2541 B19R3.2337 Cn1ccc2c1cccc2CNC[C@H]3CCO3 df72e75586ee779b1e3a9b6d3583e8a4 [0,1,0,0,0,1|2,0,0]=4 2542 B19R3.2337 O=C1NCc2c1cccc2CNCC3CCC3 0336498ffd773af34cf47033f5e2983d [0,1,0,0,0,1|2,0,0]=4 2543 B19R3.2337 O=C1NCc2c1cccc2CNCC3CCO3 065c7bacd85c48b720628c5d5aede4a7 [0,1,0,0,0,1|2,0,0]=4 2544 B19R3.2337 O=C1NCc2c1cccc2CNCC3COC3 537bee57dcdf694a7d7195489fb73436 [0,1,0,0,0,1|2,0,0]=4 2545 B19R3.2337 O=C1NCc2c1cccc2CNC[C@@H]3CCO3 7aca46e262c66c3e5332fd9e7167ec0e [0,1,0,0,0,1|2,0,0]=4 2546 B19R3.2337 O=C1NCc2c1cccc2CNC[C@H]3CCO3 e961bf626b0d9b53b372529895325c65 [0,1,0,0,0,1|2,0,0]=4 2547 B19R3.154509 CN1CCC1CNCc2cccc3c2[nH]nc3 3a6e0283acfe02843ecae371aae12e03 [0,1,0,0,0,1|2,0,0]=4 2548 B19R3.154509 CN1CCC1CNCc2cccc3c2ccs3 be41a71e648e58ee5e2801a41e85a323 [0,1,0,0,0,1|2,0,0]=4 2549 B19R3.154509 CN1CCC1CNCc2cccc3c2nco3 7eb28a7bef039ccb216026f138466bbd [0,1,0,0,0,1|2,0,0]=4 2550 B19R3.154509 CN1CCC1CNCc2cccc3c2ncs3 b33edc0a4be7cc9fe8200a0e59edfd42 [0,1,0,0,0,1|2,0,0]=4 2551 B19R3.154509 CN1CCC1CNCc2cccc3c2ocn3 0441936b2bd99c33501893bc8829d06b [0,1,0,0,0,1|1,1,0]=4 2552 B19R3.154509 CN1CCC1CNCc2cccc3c2scc3 95aa77a3fe05d8cf68b2750e66e83588 [0,1,0,0,0,1|0,0,0]=2 2553 B19R3.154509 CN1CCC1CNCc2cccc3n2ncc3 a1795ab38e17a5b7d5d638be3e54841e [0,1,0,0,0,1|2,0,0]=4 2554 B19R3.154509 CN1CCC1COCc2cccc3c2scc3 408f8068739271cced4f93b68eb8278a [0,1,0,0,0,1|1,0,0]=3 2555 B19R3.154509 CN1CC[C@@H]1COCc2cccc3c2scc3 557752be4513c39994327bfef0e721eb [0,1,0,0,0,1|1,0,0]=3 2556 B19R3.154509 CN1CC[C@H]1COCc2cccc3c2scc3 8ada90a4c3a074e4638bb03f741fbf03 [0,1,0,0,0,1|1,0,0]=3 2557 B19R3.154509 FC1CCC1COCc2cccc3c2scc3 63ef0be355a1bd77ae66d8f655775447 [0,1,0,0,0,1|1,0,0]=3 2558 B19R3.154509 O=C1CCC1CCOc2cccc3c2scc3 8222c0271c87da31e3c07c29c521b316 [0,1,0,0,0,1|2,0,0]=4 2559 B19R3.154509 O=C1CCC1COCc2cccc3c2scc3 2475f6298bce10e8b94e156455bdf9f8 [0,1,0,0,0,1|1,0,0]=3 2560 B19R3.154509 O=C1OCC1CNCc2cccc3c2[nH]cc3 28af14181e5a7fcb79c77b73a78dc4c9 [0,1,0,0,0,1|1,0,1]=4 2561 B19R3.154509 O=C1OCC1CNCc2cccc3c2occ3 45627ca0a02193e71b702749e12e679e [0,1,0,0,0,1|0,1,1]=4 2562 B19R3.154509 O=C1OCC1CNCc2cccc3c2scc3 0073c666d221ac8ed546d750ba6e3429 [0,1,0,0,0,1|0,0,1]=3 2563 B19R3.154509 O=C1OCC1CNCc2cccc3c2scn3 0420df63f2d1503e948863dff8639eb4 [0,1,0,0,0,1|1,0,1]=4 2564 B19R3.154509 O=C1OCC1COCc2cccc3c2scc3 2c93044d5fcc87651816806ce1932bf1 [0,1,0,0,0,1|1,0,1]=4 2565 B19R3.156712 Cc1cc(c2sccc2c1)NCCC3CCO3 b6e700bbd1c36798f14f084e13056a0a [0,1,0,0,0,1|2,0,0]=4 2566 B19R3.156712 Cc1cc(c2sccc2c1)NCC[C@@H]3CCO3 0ec5f085df7b99d0eddc87dca2891057 [0,1,0,0,0,1|2,0,0]=4 2567 B19R3.156712 Fc1cc(c2cc[nH]c2c1)CNCC3CCC3 3b618e938926cf4a4bf778471a5442b2 [0,1,0,0,0,1|2,0,0]=4 2568 B19R3.156712 Fc1cc(c2cc[nH]c2c1)CNCC3CCO3 fcf9d9dfb9dab9e216878d04af997cfb [0,1,0,0,0,1|2,0,0]=4 2569 B19R3.156712 Fc1cc(c2cc[nH]c2c1)CNCC3COC3 8518d72adac4f2ff9d46a82ceb8f3039 [0,1,0,0,0,1|2,0,0]=4 2570 B19R3.156712 Fc1cc(c2cc[nH]c2c1)CNC[C@@H]3CCO3 240070e5076cd5cfb057ea9403842287 [0,1,0,0,0,1|2,0,0]=4 2571 B19R3.156712 Fc1cc(c2cc[nH]c2c1)CNC[C@H]3CCO3 5ae36184cd87bfc98df8a84b5c7b63f9 [0,1,0,0,0,1|2,0,0]=4 2572 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]cc3 14b82b32e459eeb566d893fad45e9565 [0,1,0,0,0,1|1,0,0]=3 2573 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]nc3 43e264491469cce1d1beb71aa1dff575 [0,1,0,0,0,1|2,0,0]=4 2574 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2cc[nH]3 f744860e5a627257600658c2cc091515 [0,1,0,0,0,1|2,0,0]=4 2575 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2ccs3 fe48915b33443a2cc63d87dacf96e7d7 [0,1,0,0,0,1|2,0,0]=4 2576 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2occ3 001668eebf43167997be5b0b8b61c47d [0,1,0,0,0,1|0,1,0]=3 2577 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2scc3 ddf25d7f32ddaefaa9fac2fe4d00159d [0,1,0,0,0,1|0,0,0]=2 2578 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2scn3 5de858ad076db23a20d4bf709e937880 [0,1,0,0,0,1|1,0,0]=3 2579 B19R3.180081 C=C1CC(C1)CNCc2cccc3n2ncc3 c80a6a8fce681124d5e88da6da246293 [0,1,0,0,0,1|2,0,0]=4 2580 B19R3.180081 C=C1CC(C1)CNCc2cccn3c2ncc3 cd6e9569cb054ea436b773b05ffbac55 [0,1,0,0,0,1|2,0,0]=4 2581 B19R3.180081 C=C1CC(C1)COCc2cccc3c2[nH]cc3 23c5a358380eb772a2da82da9d031315 [0,1,0,0,0,1|2,0,0]=4 2582 B19R3.180081 C=C1CC(C1)COCc2cccc3c2occ3 a09cbbfdd9d33bf0c7838d5ce26ac8c6 [0,1,0,0,0,1|1,1,0]=4 2583 B19R3.180081 C=C1CC(C1)COCc2cccc3c2scc3 25c5e529483015bd3e6a8a39645665e9 [0,1,0,0,0,1|1,0,0]=3 2584 B19R3.180081 C=C1CC(C1)COCc2cccc3c2scn3 60d5c7b618e0d4ddebf544be7be47b37 [0,1,0,0,0,1|2,0,0]=4 2585 B19R3.180081 CC1CC(C1)CNCc2cccc3c2[nH]cc3 c921617995293a76c7e6a5df326248b1 [0,1,0,0,0,1|1,0,0]=3 2586 B19R3.180081 CC1CC(C1)CNCc2cccc3c2[nH]nc3 ecfd2b5734960a273ff5a6583763f9c6 [0,1,0,0,0,1|2,0,0]=4 2587 B19R3.180081 CC1CC(C1)CNCc2cccc3c2cc[nH]3 b028611d7dc084965592899c96f1a291 [0,1,0,0,0,1|2,0,0]=4 2588 B19R3.180081 CC1CC(C1)CNCc2cccc3c2ccs3 b4847ee31e1d6e17e31ae3076c2a9a9f [0,1,0,0,0,1|2,0,0]=4 2589 B19R3.180081 CC1CC(C1)CNCc2cccc3c2occ3 257222b64c54fc397939157f89adb6bc [0,1,0,0,0,1|0,1,0]=3 2590 B19R3.180081 CC1CC(C1)CNCc2cccc3c2scc3 a5fd924b0ecf45fe3ea4ab4b87298df5 [0,1,0,0,0,1|0,0,0]=2 2591 B19R3.180081 CC1CC(C1)CNCc2cccc3c2scn3 dc650292c2ed88957c9f2537920f2823 [0,1,0,0,0,1|1,0,0]=3 2592 B19R3.180081 CC1CC(C1)CNCc2cccc3n2ncc3 941887c21df1d12077bf3e0621d1b0bd [0,1,0,0,0,1|2,0,0]=4 2593 B19R3.180081 CC1CC(C1)CNCc2cccn3c2ncc3 6cd8988655a1715bd10e07d7ce901957 [0,1,0,0,0,1|2,0,0]=4 2594 B19R3.180081 CC1CC(C1)COCc2cccc3c2[nH]cc3 3008cbf9dba1651f2b3202d27144e337 [0,1,0,0,0,1|2,0,0]=4 2595 B19R3.180081 CC1CC(C1)COCc2cccc3c2occ3 ce37a599314aefc9d3b82927dd311299 [0,1,0,0,0,1|1,1,0]=4 2596 B19R3.180081 CC1CC(C1)COCc2cccc3c2scc3 3dfb596bf79b7af6c7c89d5eaad5193f [0,1,0,0,0,1|1,0,0]=3 2597 B19R3.180081 CC1CC(C1)COCc2cccc3c2scn3 72641f58f05730052af4b842065805f4 [0,1,0,0,0,1|2,0,0]=4 2598 B19R3.180081 CN1CC(C1)CNCc2cccc3c2[nH]nc3 b9edea40fc160444644b6ab5b01234f1 [0,1,0,0,0,1|2,0,0]=4 2599 B19R3.180081 CN1CC(C1)CNCc2cccc3c2ccs3 b719dec9a9c008fe144f8bc20eaf4e9c [0,1,0,0,0,1|2,0,0]=4 2600 B19R3.180081 CN1CC(C1)CNCc2cccc3c2nco3 0082b840d99ee21954b4aecb8bf973dd [0,1,0,0,0,1|2,0,0]=4 2601 B19R3.180081 CN1CC(C1)CNCc2cccc3c2ncs3 eb724b51dee9e82437eadb9f3abf8c14 [0,1,0,0,0,1|2,0,0]=4 2602 B19R3.180081 CN1CC(C1)CNCc2cccc3c2ocn3 4025a586966716e47e1b540f82f4e4da [0,1,0,0,0,1|1,1,0]=4 2603 B19R3.180081 CN1CC(C1)CNCc2cccc3c2scc3 c123dcc8d787cbcd217ccebae406773e [0,1,0,0,0,1|0,0,0]=2 2604 B19R3.180081 CN1CC(C1)CNCc2cccc3n2ncc3 27d38eead1d634c87f1585e972c65968 [0,1,0,0,0,1|2,0,0]=4 2605 B19R3.180081 CN1CC(C1)COCc2cccc3c2scc3 9b9fa9d2e8518832eb8ac8adfc786bd0 [0,1,0,0,0,1|1,0,0]=3 2606 B19R3.180081 CN1CC(C1)COCc2cccc3c2scn3 c8c96a13effd60720fee1b7db6fac828 [0,1,0,0,0,1|2,0,0]=4 2607 B19R3.180081 C[C@H]1C[C@@H](C1)COCc2cccc3c2scc3 221e207ae8cbff85603ada53b13e5f2a [0,1,0,0,0,1|1,0,0]=3 2608 B19R3.180081 C[C@H]1C[C@@H](C1)COCc2cccc3c2scn3 70d9f44b39e8c22968ce6925e42cf083 [0,1,0,0,0,1|2,0,0]=4 2609 B19R3.180081 FC1CC(C1)COCc2cccc3c2scc3 bda854368cd10ea1d77a8e0fafcd7fad [0,1,0,0,0,1|1,0,0]=3 2610 B19R3.180081 FC1CC(C1)COCc2cccc3c2scn3 eaa294863efc31e241a4a9ca5559b969 [0,1,0,0,0,1|2,0,0]=4 2611 B19R3.180081 F[C@H]1C[C@H](C1)CNCc2cccc3c2[nH]cc3 3c09059d957b2013bbe24b727d95b1d6 [0,1,0,0,0,1|1,0,0]=3 2612 B19R3.180081 F[C@H]1C[C@H](C1)CNCc2cccc3c2[nH]nc3 e366afe0efdce1785252c129feaf75c9 [0,1,0,0,0,1|2,0,0]=4 2613 B19R3.180081 F[C@H]1C[C@H](C1)CNCc2cccc3c2cc[nH]3 678f53f54f5c475e62b7e3d3a3e7a93c [0,1,0,0,0,1|2,0,0]=4 2614 B19R3.180081 F[C@H]1C[C@H](C1)CNCc2cccc3c2ccs3 6524f8dc8fc3dae6c9afdd2350e60ed6 [0,1,0,0,0,1|2,0,0]=4 2615 B19R3.180081 F[C@H]1C[C@H](C1)CNCc2cccc3c2occ3 954cd1d15207a5eebf0b92590a632e1c [0,1,0,0,0,1|0,1,0]=3 2616 B19R3.180081 F[C@H]1C[C@H](C1)CNCc2cccc3c2scc3 e9f36b77e1871849056ee81cd6eb0292 [0,1,0,0,0,1|0,0,0]=2 2617 B19R3.180081 F[C@H]1C[C@H](C1)CNCc2cccc3c2scn3 d7ff4eab0d1a6e8b188550bbf9ca25f9 [0,1,0,0,0,1|1,0,0]=3 2618 B19R3.180081 F[C@H]1C[C@H](C1)CNCc2cccc3n2ncc3 b35b4b0b298966b13e9acf6afe69fdd0 [0,1,0,0,0,1|2,0,0]=4 2619 B19R3.180081 F[C@H]1C[C@H](C1)CNCc2cccn3c2ncc3 d4cd8086ef484e4b8747bd354101a7fb [0,1,0,0,0,1|2,0,0]=4 2620 B19R3.180081 F[C@H]1C[C@H](C1)COCc2cccc3c2occ3 e14a2a61966f934592ea00c9a48b180a [0,1,0,0,0,1|1,1,0]=4 2621 B19R3.180081 F[C@H]1C[C@H](C1)COCc2cccc3c2scc3 c655436259a85c225a0bb405328d12cc [0,1,0,0,0,1|1,0,0]=3 2622 B19R3.180081 F[C@H]1C[C@H](C1)COCc2cccc3c2scn3 61a9e470e128a763ab10a234b066e641 [0,1,0,0,0,1|2,0,0]=4 2623 B19R3.180081 O=C1CC(C1)CNCc2cccc3c2[nH]cc3 aeab1aedcb6be49d6978ee065427c4f9 [0,1,0,0,0,1|1,0,0]=3 2624 B19R3.180081 O=C1CC(C1)CNCc2cccc3c2[nH]nc3 eb68c358abaace1b3facb86082a66778 [0,1,0,0,0,1|2,0,0]=4 2625 B19R3.180081 O=C1CC(C1)CNCc2cccc3c2cc[nH]3 8d4565a2bc43d7f1ff8d536a7e062e23 [0,1,0,0,0,1|2,0,0]=4 2626 B19R3.180081 O=C1CC(C1)CNCc2cccc3c2ccs3 3904cc4e3c843db340facf7476818c47 [0,1,0,0,0,1|2,0,0]=4 2627 B19R3.180081 O=C1CC(C1)CNCc2cccc3c2occ3 56d424fa9304c80a8f9de1c687b29aee [0,1,0,0,0,1|0,1,0]=3 2628 B19R3.180081 O=C1CC(C1)CNCc2cccc3c2scc3 f43cde2dae0ccad89898ef912d2627ab [0,1,0,0,0,1|0,0,0]=2 2629 B19R3.180081 O=C1CC(C1)CNCc2cccc3c2scn3 dfcdcb97b42d89b563a6fc0677fc03f1 [0,1,0,0,0,1|1,0,0]=3 2630 B19R3.180081 O=C1CC(C1)CNCc2cccc3n2ncc3 54e07970c082f2337fb2dd1282dfb605 [0,1,0,0,0,1|2,0,0]=4 2631 B19R3.180081 O=C1CC(C1)CNCc2cccn3c2ncc3 028cab34d9a3effdf3a254c750258855 [0,1,0,0,0,1|2,0,0]=4 2632 B19R3.180081 O=C1CC(C1)COCc2cccc3c2[nH]cc3 a1128ccffb3be0b1a8c88d894dee6b0b [0,1,0,0,0,1|2,0,0]=4 2633 B19R3.180081 O=C1CC(C1)COCc2cccc3c2occ3 dfb9a6da736509b440329263e47a8013 [0,1,0,0,0,1|1,1,0]=4 2634 B19R3.180081 O=C1CC(C1)COCc2cccc3c2scc3 af475e806dd5a131a0911436248b021e [0,1,0,0,0,1|1,0,0]=3 2635 B19R3.180081 O=C1CC(C1)COCc2cccc3c2scn3 90488bba6598d7a1c31ed80d98fc2601 [0,1,0,0,0,1|2,0,0]=4 2636 B19R3.180081 O=C1CC(N1)CNCc2cccc3c2[nH]cc3 24e79956cef71ab43dd7cfe210a6eff2 [0,1,0,0,0,1|1,0,1]=4 2637 B19R3.180081 O=C1CC(N1)CNCc2cccc3c2occ3 27f70fa119f28993af51f78cfea97fb3 [0,1,0,0,0,1|0,1,1]=4 2638 B19R3.180081 O=C1CC(N1)CNCc2cccc3c2scc3 8f3cff9e0698297e9ab3495edac18e77 [0,1,0,0,0,1|0,0,1]=3 2639 B19R3.180081 O=C1CC(N1)CNCc2cccc3c2scn3 329154eb79bad806d21bbe947aac9302 [0,1,0,0,0,1|1,0,1]=4 2640 B19R3.180081 O=C1CC(N1)COCc2cccc3c2scc3 39d6e9551320b09a186193b6ca60580e [0,1,0,0,0,1|1,0,1]=4 2641 B19R3.180081 O=C1CC(O1)CNCc2cccc3c2[nH]cc3 99e507bef378d619bebcc22137e666f5 [0,1,0,0,0,1|1,0,1]=4 2642 B19R3.180081 O=C1CC(O1)CNCc2cccc3c2occ3 6b08afecba00631572db125fb56d1511 [0,1,0,0,0,1|0,1,1]=4 2643 B19R3.180081 O=C1CC(O1)CNCc2cccc3c2scc3 6c8cf607783546e9f6aadac6544a2e8d [0,1,0,0,0,1|0,0,1]=3 2644 B19R3.180081 O=C1CC(O1)CNCc2cccc3c2scn3 ec88dfc227a06f36794a68e08b42a185 [0,1,0,0,0,1|1,0,1]=4 2645 B19R3.180081 O=C1CC(O1)COCc2cccc3c2scc3 ae735ecd3967cf8997d7b9b670cda2d2 [0,1,0,0,0,1|1,0,1]=4 2646 B19R3.180081 O=C1C[C@@H](N1)COCc2cccc3c2scc3 baae8611d852c2d79f8e175b8f7e54c2 [0,1,0,0,0,1|1,0,1]=4 2647 B19R3.180081 O=C1C[C@H](N1)COCc2cccc3c2scc3 e3d21169962dffc64af201430520d0c7 [0,1,0,0,0,1|1,0,1]=4 2648 B19R3.180081 OC1CC(C1)CNCc2cccc3c2[nH]cc3 2de97afd9487fde49140cb2aeab0b964 [0,1,0,0,0,1|1,0,0]=3 2649 B19R3.180081 OC1CC(C1)CNCc2cccc3c2[nH]nc3 17de432b0a808e1e50f955a5f019d040 [0,1,0,0,0,1|2,0,0]=4 2650 B19R3.180081 OC1CC(C1)CNCc2cccc3c2cc[nH]3 da74ac471b5b3b2d0555f271dd8db20b [0,1,0,0,0,1|2,0,0]=4 2651 B19R3.180081 OC1CC(C1)CNCc2cccc3c2ccs3 fbeffbbc70c7d5124b6d83745b202b81 [0,1,0,0,0,1|2,0,0]=4 2652 B19R3.180081 OC1CC(C1)CNCc2cccc3c2nco3 41b3db814632cb4f0ea92a60f1229d6e [0,1,0,0,0,1|2,0,0]=4 2653 B19R3.180081 OC1CC(C1)CNCc2cccc3c2ncs3 8adfa9ce1d3833cbc56141efd1ef3b01 [0,1,0,0,0,1|2,0,0]=4 2654 B19R3.180081 OC1CC(C1)CNCc2cccc3c2occ3 011f5940b41a6a2ea7d9147f87dc385f [0,1,0,0,0,1|0,1,0]=3 2655 B19R3.180081 OC1CC(C1)CNCc2cccc3c2ocn3 b9d00073f5dcdcb3041641459c65af02 [0,1,0,0,0,1|1,1,0]=4 2656 B19R3.180081 OC1CC(C1)CNCc2cccc3c2scc3 9879a4846fd385e21ec2a69da084b3a5 [0,1,0,0,0,1|0,0,0]=2 2657 B19R3.180081 OC1CC(C1)CNCc2cccc3c2scn3 6a0ae8eb9fa0dd15efc7967367be18ce [0,1,0,0,0,1|1,0,0]=3 2658 B19R3.180081 OC1CC(C1)CNCc2cccc3n2ncc3 8c8522bcc3ec21e3777cd6a4e92ae883 [0,1,0,0,0,1|2,0,0]=4 2659 B19R3.180081 OC1CC(C1)CNCc2cccn3c2ncc3 02a0b5e442fda8896a2e8e3dadebd17a [0,1,0,0,0,1|2,0,0]=4 2660 B19R3.180081 O[C@H]1C[C@@H](C1)CNCc2cccc3c2[nH]nc3 da27f527ffd01db15bc8c41734bd2e51 [0,1,0,0,0,1|2,0,0]=4 2661 B19R3.180081 O[C@H]1C[C@@H](C1)CNCc2cccc3c2ccs3 fb44a80b08d170342887a3ef18c607d5 [0,1,0,0,0,1|2,0,0]=4 2662 B19R3.180081 O[C@H]1C[C@@H](C1)CNCc2cccc3c2nco3 524b04e4b4eec5dd87f25210de8a2e99 [0,1,0,0,0,1|2,0,0]=4 2663 B19R3.180081 O[C@H]1C[C@@H](C1)CNCc2cccc3c2ncs3 3ffc2940724771dab4e62016bae1cdcd [0,1,0,0,0,1|2,0,0]=4 2664 B19R3.180081 O[C@H]1C[C@@H](C1)CNCc2cccc3c2ocn3 5045cf9cf4ec910d55c8d2d97e999615 [0,1,0,0,0,1|1,1,0]=4 2665 B19R3.180081 O[C@H]1C[C@@H](C1)CNCc2cccc3c2scc3 63e2f5cf1f7c8396065595eef408267e [0,1,0,0,0,1|0,0,0]=2 2666 B19R3.180081 O[C@H]1C[C@@H](C1)CNCc2cccc3c2scn3 2568b8002b5d3d19d89beb52eeeb1ead [0,1,0,0,0,1|1,0,0]=3 2667 B19R3.180081 O[C@H]1C[C@@H](C1)CNCc2cccc3n2ncc3 116e7943d9aa8037541e2801eca1e6c1 [0,1,0,0,0,1|2,0,0]=4 2668 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2[nH]nc3 88561dc5fc2d4979c3ab9d056dbd5b70 [0,1,0,0,0,1|2,0,0]=4 2669 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2ccs3 702afceed903774c712a1505ce31c8ce [0,1,0,0,0,1|2,0,0]=4 2670 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2nco3 baab50ff907fd8fcd687475c8d7054c1 [0,1,0,0,0,1|2,0,0]=4 2671 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2ncs3 87429e51bb5afb5dca18575b727516ee [0,1,0,0,0,1|2,0,0]=4 2672 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2ocn3 1ff911af0de4a8558155f8be2ab1a7f4 [0,1,0,0,0,1|1,1,0]=4 2673 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2scc3 f07b81f0b99567f7b8e048cdfa2b7dea [0,1,0,0,0,1|0,0,0]=2 2674 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3c2scn3 060d19f3f13a3606e355ba0facbc9e81 [0,1,0,0,0,1|1,0,0]=3 2675 B19R3.180081 O[C@H]1C[C@H](C1)CNCc2cccc3n2ncc3 c9cf389d15daf8f675f813047ce230a5 [0,1,0,0,0,1|2,0,0]=4 2676 B19R3.181429 Cc1cc2cccc(c2s1)CNCC3CCC3 bffb138b0378fdff86bd43f291bfb816 [0,1,0,0,0,1|0,0,0]=2 2677 B19R3.181429 Cc1cc2cccc(c2s1)CNCC3CCO3 bc24532b6028b6476588f735b4e1ef75 [0,1,0,0,0,1|0,0,0]=2 2678 B19R3.181429 Cc1cc2cccc(c2s1)CNCC3COC3 bb359eb430249edac32bbad7498527a6 [0,1,0,0,0,1|0,0,0]=2 2679 B19R3.181429 Cc1cc2cccc(c2s1)CNC[C@@H]3CCO3 ef8ff0bc9dfbde5ed71984d63cc5857a [0,1,0,0,0,1|0,0,0]=2 2680 B19R3.181429 Cc1cc2cccc(c2s1)CNC[C@H]3CCO3 b41df09abc0a72a3edf468f31aefeef1 [0,1,0,0,0,1|0,0,0]=2 2681 B19R3.181429 Cc1cc2cccc(c2s1)COCC3CCC3 d8c68686e63c4a05210237c52590a61a [0,1,0,0,0,1|1,0,0]=3 2682 B19R3.181429 Cc1cc2cccc(c2s1)COCC3CCO3 966356c5b01aebda12fc348314da1ede [0,1,0,0,0,1|1,0,0]=3 2683 B19R3.181429 Cc1cc2cccc(c2s1)COCC3COC3 4e215bc9c419d52c327adc2fd694d6bb [0,1,0,0,0,1|1,0,0]=3 2684 B19R3.181429 Cc1cc2cccc(c2s1)COCC3CSC3 65405976a5b9ace85c70e0d5e5369259 [0,1,0,0,0,1|1,0,0]=3 2685 B19R3.181429 Cc1cc2cccc(c2s1)COC[C@@H]3CCO3 32bed10a69ceb8a882badc43e9bf5693 [0,1,0,0,0,1|1,0,0]=3 2686 B19R3.181429 Cc1cc2cccc(c2s1)COC[C@H]3CCO3 854ff374cf1cf7607aad85a7bcfb2faf [0,1,0,0,0,1|1,0,0]=3 2687 B19R3.181429 Cn1cc2cccc(c2n1)CNCC3CCC3 030d202dd483c823e2c09fa49b84cc4f [0,1,0,0,0,1|2,0,0]=4 2688 B19R3.181429 Cn1cc2cccc(c2n1)CNCC3CCO3 2b20f8624e7c9875c1c5d504fc0fdaae [0,1,0,0,0,1|2,0,0]=4 2689 B19R3.181429 Cn1cc2cccc(c2n1)CNCC3COC3 5fcb8b2852dae6316091ed56dc8adf69 [0,1,0,0,0,1|2,0,0]=4 2690 B19R3.181429 Cn1cc2cccc(c2n1)CNC[C@@H]3CCO3 bd3c10e7e9c5b0dc71e1769cc5db9b25 [0,1,0,0,0,1|2,0,0]=4 2691 B19R3.181429 Cn1cc2cccc(c2n1)CNC[C@H]3CCO3 b884a7c41113421e81a846a90d43580a [0,1,0,0,0,1|2,0,0]=4 2692 B19R3.181429 O=C1Cc2cccc(c2N1)CNCC3CCC3 5ee90066989506d8c2eaf9a304dcdc70 [0,1,0,0,0,1|1,0,1]=4 2693 B19R3.181429 O=C1Cc2cccc(c2N1)CNCC3CCO3 db30583cca9b0f97558658dd4d69ebf5 [0,1,0,0,0,1|1,0,1]=4 2694 B19R3.181429 O=C1Cc2cccc(c2N1)CNCC3COC3 50c1e3653d49344b471dbd53b10bc7c5 [0,1,0,0,0,1|1,0,1]=4 2695 B19R3.181429 O=C1Cc2cccc(c2N1)CNC[C@@H]3CCO3 338eb4b0d780922b74561be9a0bdc5cc [0,1,0,0,0,1|1,0,1]=4 2696 B19R3.181429 O=C1Cc2cccc(c2N1)CNC[C@H]3CCO3 228f65a9272932172310cf9c6a1b21d0 [0,1,0,0,0,1|1,0,1]=4 2697 B19R3.202543 CN(Cc1cccc2c1[nH]nc2)CC3CCC3 5701ee4fad0b0d343662218b2e5c66f9 [0,1,0,0,0,1|2,0,0]=4 2698 B19R3.202543 CN(Cc1cccc2c1[nH]nc2)CC3COC3 42690c6f7a7775a9b90c26fc2589569a [0,1,0,0,0,1|2,0,0]=4 2699 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)CC3CCC3 76adea39f1fd516d560e3c37b025f077 [0,1,0,0,0,1|2,0,0]=4 2700 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)CC3CCO3 98f06df2c7e2ffdb387c1b97d85e4282 [0,1,0,0,0,1|2,0,0]=4 2701 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)CC3COC3 6ed3198a231336b39c88c4b3b7a76f9b [0,1,0,0,0,1|2,0,0]=4 2702 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)C[C@@H]3CCO3 2b998bdeb328233db6085d7a01a1aa9a [0,1,0,0,0,1|2,0,0]=4 2703 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)C[C@H]3CCO3 c4e43cf9517aad043821a4e8ee366de5 [0,1,0,0,0,1|2,0,0]=4 2704 B19R3.202543 CN(Cc1cccc2c1ccs2)CC3CCC3 18e283a8ff3c8d96ac2e5bac79f832aa [0,1,0,0,0,1|2,0,0]=4 2705 B19R3.202543 CN(Cc1cccc2c1ccs2)CC3COC3 8b80d6a30080f52a3f85505b2ba5b4a2 [0,1,0,0,0,1|2,0,0]=4 2706 B19R3.202543 CN(Cc1cccc2c1nco2)CC3CCC3 6cb263a2fb3499a672123a9533f7fb14 [0,1,0,0,0,1|2,0,0]=4 2707 B19R3.202543 CN(Cc1cccc2c1nco2)CC3COC3 e21f305b446ca701932fe45694d3e908 [0,1,0,0,0,1|2,0,0]=4 2708 B19R3.202543 CN(Cc1cccc2c1ncs2)CC3CCC3 5af23f2ffe3a048dc886c8fd78ac48a2 [0,1,0,0,0,1|2,0,0]=4 2709 B19R3.202543 CN(Cc1cccc2c1ncs2)CC3COC3 a8e2f31eb5860df674be7edf1e3bd24e [0,1,0,0,0,1|2,0,0]=4 2710 B19R3.202543 CN(Cc1cccc2c1ocn2)CC3CCC3 17d8c415ee2b0b5201c7187d703b1193 [0,1,0,0,0,1|1,1,0]=4 2711 B19R3.202543 CN(Cc1cccc2c1ocn2)CC3COC3 7f80a5f20301d24d63d4cfa4bd893483 [0,1,0,0,0,1|1,1,0]=4 2712 B19R3.202543 CN(Cc1cccc2c1scc2)CC3CCC3 3fa1709865cb7bf44b992d6fa8c765b0 [0,1,0,0,0,1|0,0,0]=2 2713 B19R3.202543 CN(Cc1cccc2c1scc2)CC3COC3 47636e112c103c7f82d742a340bd966b [0,1,0,0,0,1|0,0,0]=2 2714 B19R3.202543 CN(Cc1cccc2n1ncc2)CC3CCC3 125009f4bc2723abaf8922eaab23c14e [0,1,0,0,0,1|2,0,0]=4 2715 B19R3.202543 CN(Cc1cccc2n1ncc2)CC3COC3 c57754c14690d3fdc362c877bc376d9f [0,1,0,0,0,1|2,0,0]=4 2716 B19R3.678125 CC(NCC1CCC1)c2cccc3c2[nH]cc3 04e8757e3b85926e6299afcd1aeb4b4f [0,1,0,0,0,1|1,0,0]=3 2717 B19R3.678125 CC(NCC1CCO1)c2cccc3c2[nH]cc3 e9b66d63535f5d16c0d2b64bbb09eed4 [0,1,0,0,0,1|1,0,0]=3 2718 B19R3.678125 CC(NCC1COC1)c2cccc3c2[nH]cc3 cfdaaa2f9f874dd547c7a5a79563eee7 [0,1,0,0,0,1|1,0,0]=3 2719 B19R3.678125 CC(NC[C@@H]1CCO1)c2cccc3c2[nH]cc3 7755f65a91fb2a418456a8c5a71f06a7 [0,1,0,0,0,1|1,0,0]=3 2720 B19R3.678125 CC(NC[C@H]1CCO1)c2cccc3c2[nH]cc3 7a9e6327e99cdf8343410fb689111cb9 [0,1,0,0,0,1|1,0,0]=3 2721 B19R3.678125 CC(OCC1CCC1)c2cccc3c2CC=C3 75e9e519ca98ca6ac7af14de24dc9909 [0,1,0,0,0,1|2,0,0]=4 2722 B19R3.678125 CC(OCC1CCO1)c2cccc3c2CC=C3 ebc3f065e9922b5e25202c5a48b256d4 [0,1,0,0,0,1|2,0,0]=4 2723 B19R3.678125 CC(OCC1COC1)c2cccc3c2CC=C3 40bd81f38a13b834e159567263130f5e [0,1,0,0,0,1|2,0,0]=4 2724 B19R3.678125 CC(OC[C@@H]1CCO1)c2cccc3c2CC=C3 3755b2c2f77a58631f9c3b53b3ac6e3e [0,1,0,0,0,1|2,0,0]=4 2725 B19R3.678125 CC(OC[C@H]1CCO1)c2cccc3c2CC=C3 31c15d5fbe56ea15618444d93b3a814b [0,1,0,0,0,1|2,0,0]=4 2726 B19R3.678125 CN(CCC1COC1)c2cccc3c2scc3 476cc9271bd2cb2ff542a798e706e61e [0,1,0,0,0,1|2,0,0]=4 2727 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2occ3 df892eb7de6b40bf5ed01882dee8d705 [0,1,0,0,0,1|0,1,1]=4 2728 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scc3 a6ab94c0f0405d078c18cbe0058e8fd7 [0,1,0,0,0,1|0,0,1]=3 2729 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scn3 21ebd1d66dcc835bc32896cb2e8dda80 [0,1,0,0,0,1|1,0,1]=4 2730 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2snc3 e3de57827dd87edbbca7a49e76291e83 [0,1,0,0,0,1|1,0,1]=4 2731 B19R3.678125 O=C(NCC1CCC1)c2ccnc3c2scc3 86b1ea1ff2c4e20f4dce695882efd587 [0,1,0,0,0,1|1,0,1]=4 2732 B19R3.678125 O=C(NCC1CCC1)c2nccc3c2scc3 2332f4755f9771ab90a8569d74f920a3 [0,1,0,0,0,1|1,0,1]=4 2733 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2occ3 081e07b5847d1ac507e4111a638a05e2 [0,1,0,0,0,1|0,1,1]=4 2734 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2scc3 ce0dfd3909923299cb7dbd8c73ff259d [0,1,0,0,0,1|0,0,1]=3 2735 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2scn3 e91c46ab40ee99585961cf51686b6b37 [0,1,0,0,0,1|1,0,1]=4 2736 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2snc3 908293d1037e521dc63763e3dfeeada1 [0,1,0,0,0,1|1,0,1]=4 2737 B19R3.678125 O=C(NCC1CCO1)c2ccnc3c2scc3 417e9c515317d117d27be30fc4f66e9f [0,1,0,0,0,1|1,0,1]=4 2738 B19R3.678125 O=C(NCC1CCO1)c2nccc3c2scc3 24574c5eacad679e8700e2f29e7c8485 [0,1,0,0,0,1|1,0,1]=4 2739 B19R3.678125 O=C(NCC1COC1)c2cccc3c2occ3 17b68c367782b27825795b3e4fc9655e [0,1,0,0,0,1|0,1,1]=4 2740 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scc3 1542e21513bbf4402e3fd8be98b6753a [0,1,0,0,0,1|0,0,1]=3 2741 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scn3 3086757f99390ca1a0f70c975cd211a8 [0,1,0,0,0,1|1,0,1]=4 2742 B19R3.678125 O=C(NCC1COC1)c2cccc3c2snc3 14e20030e33ff4d99b9b7a6e4cb2ab83 [0,1,0,0,0,1|1,0,1]=4 2743 B19R3.678125 O=C(NCC1COC1)c2ccnc3c2scc3 636bf740101cc671d9a73eb7bc9a8e7b [0,1,0,0,0,1|1,0,1]=4 2744 B19R3.678125 O=C(NCC1COC1)c2nccc3c2scc3 ec839bea23492848449242f2921d6348 [0,1,0,0,0,1|1,0,1]=4 2745 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2occ3 783fd831896e49ffb299c5e31a25bfae [0,1,0,0,0,1|0,1,1]=4 2746 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scc3 47b69af704b363a1afa3fa47edda0ecb [0,1,0,0,0,1|0,0,1]=3 2747 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scn3 da04d978ff6f87f54bb9a3cd79f9af0b [0,1,0,0,0,1|1,0,1]=4 2748 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2snc3 3f1e6cfde9b4f6fb8d31b997be203ccc [0,1,0,0,0,1|1,0,1]=4 2749 B19R3.678125 O=C(NC[C@@H]1CCO1)c2ccnc3c2scc3 7310e3d42b6cfd83cc1f4914b7a5704f [0,1,0,0,0,1|1,0,1]=4 2750 B19R3.678125 O=C(NC[C@@H]1CCO1)c2nccc3c2scc3 8f13212ef9acc362ed4de6fc46cb79d2 [0,1,0,0,0,1|1,0,1]=4 2751 B19R3.678125 O=C(NC[C@H]1CCO1)c2cccc3c2occ3 7ad02cdc2a8e53a187e615e53d606f96 [0,1,0,0,0,1|0,1,1]=4 2752 B19R3.678125 O=C(NC[C@H]1CCO1)c2cccc3c2scc3 59eb16365f93deffb87aea80ccb60536 [0,1,0,0,0,1|0,0,1]=3 2753 B19R3.678125 O=C(NC[C@H]1CCO1)c2cccc3c2scn3 3ee3eb59335c1fe112bf42901e2f3cc8 [0,1,0,0,0,1|1,0,1]=4 2754 B19R3.678125 O=C(NC[C@H]1CCO1)c2cccc3c2snc3 b1aa17cca3807ae356f3ab805b3441b7 [0,1,0,0,0,1|1,0,1]=4 2755 B19R3.678125 O=C(NC[C@H]1CCO1)c2ccnc3c2scc3 fc958f55b61d0230d9b0f971ac0e1c8d [0,1,0,0,0,1|1,0,1]=4 2756 B19R3.678125 O=C(NC[C@H]1CCO1)c2nccc3c2scc3 858c063ef3c90bf863ecd6219f4a66aa [0,1,0,0,0,1|1,0,1]=4 2757 B19R3.678500 CC(NCc1cccc2c1[nH]nc2)C3COC3 bd8b49298d14199739f00a84fb9357f0 [0,1,0,0,0,1|2,0,0]=4 2758 B19R3.678500 CC(NCc1cccc2c1ccs2)C3COC3 dc4f4b417db0401b4706fff7181da457 [0,1,0,0,0,1|2,0,0]=4 2759 B19R3.678500 CC(NCc1cccc2c1nco2)C3COC3 989382f7733d98bdf75646238f3fad5a [0,1,0,0,0,1|2,0,0]=4 2760 B19R3.678500 CC(NCc1cccc2c1ncs2)C3COC3 70c53068eda517635aa295f7821953e2 [0,1,0,0,0,1|2,0,0]=4 2761 B19R3.678500 CC(NCc1cccc2c1ocn2)C3COC3 ccfd3411a3318ed51c3fe85338c99861 [0,1,0,0,0,1|1,1,0]=4 2762 B19R3.678500 CC(NCc1cccc2c1scc2)C3COC3 cc44d86240ade2faaec2628ab81ef484 [0,1,0,0,0,1|0,0,0]=2 2763 B19R3.678500 CC(NCc1cccc2n1ncc2)C3COC3 f3cfecb76b56f24fff3c372dff70271e [0,1,0,0,0,1|2,0,0]=4 2764 B19R3.678500 CC(OCc1cccc2c1scc2)C3CCC3 3b0b485ae9385f2a17dccba21cbda5ee [0,1,0,0,0,1|1,0,0]=3 2765 B19R3.678500 CC(OCc1cccc2c1scc2)C3COC3 0889b024cd74dae8c753d339d17cd1b9 [0,1,0,0,0,1|1,0,0]=3 2766 B19R3.678500 C[C@@H](NCc1cccc2c1[nH]nc2)C3COC3 baddbd9f8da87e94a4bf47a42ef20b90 [0,1,0,0,0,1|2,0,0]=4 2767 B19R3.678500 C[C@@H](NCc1cccc2c1ccs2)C3COC3 158bf69b9c7e2516f7477336573176f7 [0,1,0,0,0,1|2,0,0]=4 2768 B19R3.678500 C[C@@H](NCc1cccc2c1nco2)C3COC3 b2e1a6c1cfd3b868f4deddc963a146df [0,1,0,0,0,1|2,0,0]=4 2769 B19R3.678500 C[C@@H](NCc1cccc2c1ncs2)C3COC3 ca3e6ee8f3785e1fb6ca4fb48c798325 [0,1,0,0,0,1|2,0,0]=4 2770 B19R3.678500 C[C@@H](NCc1cccc2c1ocn2)C3COC3 7f2a75a78fbe5846a60cc800bed38a4c [0,1,0,0,0,1|1,1,0]=4 2771 B19R3.678500 C[C@@H](NCc1cccc2c1scc2)C3COC3 8b296ecce04719d86d9082dc792ecef1 [0,1,0,0,0,1|0,0,0]=2 2772 B19R3.678500 C[C@@H](NCc1cccc2n1ncc2)C3COC3 bc168292209ed77cd0712e6e0433351d [0,1,0,0,0,1|2,0,0]=4 2773 B19R3.678500 C[C@@H](OCc1cccc2c1scc2)C3COC3 24e21277b861fb72f0d33190016350eb [0,1,0,0,0,1|1,0,0]=3 2774 B19R3.678500 C[C@H](NCc1cccc2c1[nH]nc2)C3COC3 02e167f853f538d4eb2fa9188835d8ab [0,1,0,0,0,1|2,0,0]=4 2775 B19R3.678500 C[C@H](NCc1cccc2c1ccs2)C3COC3 8b7d2d5c5f1c8488a7048ab4110e71cb [0,1,0,0,0,1|2,0,0]=4 2776 B19R3.678500 C[C@H](NCc1cccc2c1nco2)C3COC3 a4d35b072585a43165906bcfebe417ea [0,1,0,0,0,1|2,0,0]=4 2777 B19R3.678500 C[C@H](NCc1cccc2c1ncs2)C3COC3 27a49adac0a254ad8ae4313400135b32 [0,1,0,0,0,1|2,0,0]=4 2778 B19R3.678500 C[C@H](NCc1cccc2c1ocn2)C3COC3 86ad3d0db17e4dd8f577e30adf2f1d28 [0,1,0,0,0,1|1,1,0]=4 2779 B19R3.678500 C[C@H](NCc1cccc2c1scc2)C3COC3 32c067296aeb7d3e902614d4a2598d75 [0,1,0,0,0,1|0,0,0]=2 2780 B19R3.678500 C[C@H](NCc1cccc2n1ncc2)C3COC3 4128cc9209a4ae8833127ee3596dbcbd [0,1,0,0,0,1|2,0,0]=4 2781 B19R3.678500 C[C@H](OCc1cccc2c1scc2)C3CCC3 4b70dbafd8c29d9af3b5a5b79ba75d44 [0,1,0,0,0,1|1,0,0]=3 2782 B19R3.678500 C[C@H](OCc1cccc2c1scc2)C3COC3 cbb8287ae6f901d287b46154e00a034b [0,1,0,0,0,1|1,0,0]=3 2783 B19R3.678500 O=C(NCc1cccc2c1occ2)C3CCO3 edc69861bd5ffea858a9f9a8f8595d36 [0,1,0,0,0,1|0,1,1]=4 2784 B19R3.678500 O=C(NCc1cccc2c1occ2)[C@@H]3CCO3 1f539076cecf2f7c1d5eb0b0619de1e5 [0,1,0,0,0,1|0,1,1]=4 2785 B19R3.678500 O=C(NCc1cccc2c1occ2)[C@H]3CCO3 be8988827bdad5d5fcfcdc44c39ac5b0 [0,1,0,0,0,1|0,1,1]=4 2786 B19R3.678500 O=C(NCc1cccc2c1scc2)C3=CCC3 a77942d5c79c5959f2a8d8cbd8f80ee2 [0,1,0,0,0,1|0,0,2]=4 2787 B19R3.678500 O=C(NCc1cccc2c1scc2)C3CCO3 8f629dcf579c647bb2424549683ee9bb [0,1,0,0,0,1|0,0,1]=3 2788 B19R3.678500 O=C(NCc1cccc2c1scc2)N3CCC3 16953fce454a9ed48079ea9d0ae07cf5 [0,1,0,0,0,1|1,0,1]=4 2789 B19R3.678500 O=C(NCc1cccc2c1scc2)[C@@H]3CCO3 6b261c916c435903d7fb34007b0579f0 [0,1,0,0,0,1|0,0,1]=3 2790 B19R3.678500 O=C(NCc1cccc2c1scc2)[C@H]3CCO3 2d0603fadb8240f6a51be532c24bb741 [0,1,0,0,0,1|0,0,1]=3 2791 B19R3.678500 O=C(NCc1cccc2c1scn2)C3CCO3 e9b4085ca69dbe175f4ae0ce9e53298f [0,1,0,0,0,1|1,0,1]=4 2792 B19R3.678500 O=C(NCc1cccc2c1scn2)[C@@H]3CCO3 dfe4a0aac6ae96f45914d979adafe0d6 [0,1,0,0,0,1|1,0,1]=4 2793 B19R3.678500 O=C(NCc1cccc2c1scn2)[C@H]3CCO3 7aa5a20af2412a013601f1210d420648 [0,1,0,0,0,1|1,0,1]=4 2794 B19R3.678500 S=C(NCc1cccc2c1scc2)N3CCC3 ac2a054ce3b5f140d45ae3f60a5b6673 [0,1,0,0,0,1|1,0,1]=4 2795 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2[nH]cc3 b2054e769a7fad3ebf9f94eec6a170c0 [0,1,0,0,0,1|1,0,0]=3 2796 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2[nH]nc3 8d0846b8c422acaf8ec01d825858bd4e [0,1,0,0,0,1|2,0,0]=4 2797 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2cc[nH]3 3a015a7938219d76e3a2ff875e4a0fe5 [0,1,0,0,0,1|2,0,0]=4 2798 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2ccs3 059f8020e7d194229f721cb2b8fca17b [0,1,0,0,0,1|2,0,0]=4 2799 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2occ3 ab5b42f1e333578194e867c79b85d097 [0,1,0,0,0,1|0,1,0]=3 2800 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2scc3 d045520f95a4548388c9cf3a561e8467 [0,1,0,0,0,1|0,0,0]=2 2801 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2scn3 d9f1e01e16191c2f7915462e791cda86 [0,1,0,0,0,1|1,0,0]=3 2802 B19R3.2383301 CC1(CCC1)CNCc2cccc3n2ncc3 d8cb2a1bdbb6608808c438d1b748b3c5 [0,1,0,0,0,1|2,0,0]=4 2803 B19R3.2383301 CC1(CCC1)CNCc2cccn3c2ncc3 e9d6159fefbf73e4269d1e8afd2988e2 [0,1,0,0,0,1|2,0,0]=4 2804 B19R3.2383301 CC1(CCC1)COCc2cccc3c2[nH]cc3 b9aaea9b1566108ada57c89218c25e0c [0,1,0,0,0,1|2,0,0]=4 2805 B19R3.2383301 CC1(CCC1)COCc2cccc3c2occ3 ce8e9331507916b25caddf789dead532 [0,1,0,0,0,1|1,1,0]=4 2806 B19R3.2383301 CC1(CCC1)COCc2cccc3c2scc3 2fc43f3877c62480b0a1774409789414 [0,1,0,0,0,1|1,0,0]=3 2807 B19R3.2383301 CC1(CCC1)COCc2cccc3c2scn3 f4ba8faa32ac8703539981c6a53c5410 [0,1,0,0,0,1|2,0,0]=4 2808 B19R3.2383301 CC1(CCO1)CNCc2cccc3c2[nH]nc3 30713fb2b97ce31c1c4cc45e9dbaaf6c [0,1,0,0,0,1|2,0,0]=4 2809 B19R3.2383301 CC1(CCO1)CNCc2cccc3c2ccs3 1dd6a7908c820ca6920ceacf3b0ea429 [0,1,0,0,0,1|2,0,0]=4 2810 B19R3.2383301 CC1(CCO1)CNCc2cccc3c2nco3 3c8612a4a69a7345a497c97df164d58e [0,1,0,0,0,1|2,0,0]=4 2811 B19R3.2383301 CC1(CCO1)CNCc2cccc3c2ncs3 dcafe11ede68b63de93b19348d8a1812 [0,1,0,0,0,1|2,0,0]=4 2812 B19R3.2383301 CC1(CCO1)CNCc2cccc3c2ocn3 2e9d8341201c30fee86df15527e958d6 [0,1,0,0,0,1|1,1,0]=4 2813 B19R3.2383301 CC1(CCO1)CNCc2cccc3c2scc3 339bc55b2322a0d5872a0a6081d12c96 [0,1,0,0,0,1|0,0,0]=2 2814 B19R3.2383301 CC1(CCO1)CNCc2cccc3c2scn3 d5715d852082766d2b721487099c04f8 [0,1,0,0,0,1|1,0,0]=3 2815 B19R3.2383301 CC1(CCO1)CNCc2cccc3n2ncc3 5c4cb8865b532e046cbdbe6a8c5e29fa [0,1,0,0,0,1|2,0,0]=4 2816 B19R3.2383301 CC1(CCO1)COCc2cccc3c2scc3 8ef5aae2c6dc89268292140d659d0bce [0,1,0,0,0,1|1,0,0]=3 2817 B19R3.2383301 CC1(CCO1)COCc2cccc3c2scn3 ab530fecf6b94ccc45d2e0075824057a [0,1,0,0,0,1|2,0,0]=4 2818 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]cc3 cfdb923aa43a5d15ee4f479c94478167 [0,1,0,0,0,1|1,0,0]=3 2819 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]nc3 f9d8357a5db4fcfb9a9d93242ef00274 [0,1,0,0,0,1|2,0,0]=4 2820 B19R3.2383301 CC1(COC1)CNCc2cccc3c2cc[nH]3 5855cac572dfbb01bc248603e967ae11 [0,1,0,0,0,1|2,0,0]=4 2821 B19R3.2383301 CC1(COC1)CNCc2cccc3c2ccs3 c941d54838b8a4579cd5a9b75a4eb4ef [0,1,0,0,0,1|2,0,0]=4 2822 B19R3.2383301 CC1(COC1)CNCc2cccc3c2nco3 9f7e070bb5babca7ffc3d47f6be34da5 [0,1,0,0,0,1|2,0,0]=4 2823 B19R3.2383301 CC1(COC1)CNCc2cccc3c2ncs3 c7366a01b45d1d2dffecf432939cd082 [0,1,0,0,0,1|2,0,0]=4 2824 B19R3.2383301 CC1(COC1)CNCc2cccc3c2occ3 d9e1f4c5e55c6ebd9e4e152146235fd8 [0,1,0,0,0,1|0,1,0]=3 2825 B19R3.2383301 CC1(COC1)CNCc2cccc3c2ocn3 951cea61bf90088f262c1c8240012435 [0,1,0,0,0,1|1,1,0]=4 2826 B19R3.2383301 CC1(COC1)CNCc2cccc3c2scc3 a879185149ca319cbcbefe5d4ae48019 [0,1,0,0,0,1|0,0,0]=2 2827 B19R3.2383301 CC1(COC1)CNCc2cccc3c2scn3 3f92af7872c756433450180619c03f81 [0,1,0,0,0,1|1,0,0]=3 2828 B19R3.2383301 CC1(COC1)CNCc2cccc3n2ncc3 0687b69659f9849537d2bee424160dd6 [0,1,0,0,0,1|2,0,0]=4 2829 B19R3.2383301 CC1(COC1)CNCc2cccn3c2ncc3 be554662221f7268430586b0f0896b38 [0,1,0,0,0,1|2,0,0]=4 2830 B19R3.2383301 CC1(COC1)COCc2cccc3c2[nH]cc3 5ee88275019c246d7ec8e4e819ec835f [0,1,0,0,0,1|2,0,0]=4 2831 B19R3.2383301 CC1(COC1)COCc2cccc3c2occ3 39b1afd7460622d74e2d94396e8b232c [0,1,0,0,0,1|1,1,0]=4 2832 B19R3.2383301 CC1(COC1)COCc2cccc3c2scc3 0e633896bc5ad7e658e14bf8191501b1 [0,1,0,0,0,1|1,0,0]=3 2833 B19R3.2383301 CC1(COC1)COCc2cccc3c2scn3 0efa6d08ab34167beef36b8449ecfa1d [0,1,0,0,0,1|2,0,0]=4 2834 B19R3.2383301 CC1(CSC1)COCc2cccc3c2scc3 742511d8ef40aacd5694bff9ca1bd282 [0,1,0,0,0,1|1,0,0]=3 2835 B19R3.2383301 CC1(CSC1)COCc2cccc3c2scn3 b9a9affa80ccd755335bce315461006a [0,1,0,0,0,1|2,0,0]=4 2836 B19R3.2383301 C[C@@]1(CCO1)COCc2cccc3c2scc3 8227bad1105a645c89fd917cf3737427 [0,1,0,0,0,1|1,0,0]=3 2837 B19R3.2383301 C[C@@]1(CCO1)COCc2cccc3c2scn3 a43a442f20a3d1f79a7593032fa413bd [0,1,0,0,0,1|2,0,0]=4 2838 B19R3.2383301 C[C@]1(CCO1)CNCc2cccc3c2[nH]nc3 e27923c5671d02b1aa7591207a2e67b0 [0,1,0,0,0,1|2,0,0]=4 2839 B19R3.2383301 C[C@]1(CCO1)CNCc2cccc3c2ccs3 c07e90eaa2a6f2388c7a6a08e80bc8a4 [0,1,0,0,0,1|2,0,0]=4 2840 B19R3.2383301 C[C@]1(CCO1)CNCc2cccc3c2nco3 0d1d1b5ed9798ec4e164c48b1c7b948c [0,1,0,0,0,1|2,0,0]=4 2841 B19R3.2383301 C[C@]1(CCO1)CNCc2cccc3c2ncs3 f865d1cc0e88dd50489152f17941d190 [0,1,0,0,0,1|2,0,0]=4 2842 B19R3.2383301 C[C@]1(CCO1)CNCc2cccc3c2ocn3 0e1a3887e76c7c4d897e7566492491f0 [0,1,0,0,0,1|1,1,0]=4 2843 B19R3.2383301 C[C@]1(CCO1)CNCc2cccc3c2scc3 9a450ea41daeaedda3d91d5826e79713 [0,1,0,0,0,1|0,0,0]=2 2844 B19R3.2383301 C[C@]1(CCO1)CNCc2cccc3c2scn3 08ecdf62d14ca8afd140dba7c57f9c0c [0,1,0,0,0,1|1,0,0]=3 2845 B19R3.2383301 C[C@]1(CCO1)CNCc2cccc3n2ncc3 b02d3e87232b3a6e0837976a1084fb48 [0,1,0,0,0,1|2,0,0]=4 2846 B19R3.2383301 C[C@]1(CCO1)COCc2cccc3c2scc3 cef20810fd3e2e595cef97e896e07cfd [0,1,0,0,0,1|1,0,0]=3 2847 B19R3.2383301 C[C@]1(CCO1)COCc2cccc3c2scn3 26f15297fe15c3dc49cbec8dcecf99a2 [0,1,0,0,0,1|2,0,0]=4 2848 B19R3.2383301 FC1(CCC1)COCc2cccc3c2scc3 604bd56c695ee6d2c11507824ee628d6 [0,1,0,0,0,1|1,0,0]=3 2849 B19R3.2383301 FC1(CCC1)COCc2cccc3c2scn3 a89117558b0a36f275207c7403ec5009 [0,1,0,0,0,1|2,0,0]=4 2850 B19R3.2383301 FC1(COC1)CNCc2cccc3c2[nH]cc3 13c96968c46dccd9b44f7464eec46943 [0,1,0,0,0,1|1,0,0]=3 2851 B19R3.2383301 FC1(COC1)CNCc2cccc3c2[nH]nc3 721cc02f13dc24f59acd4d7670eefc96 [0,1,0,0,0,1|2,0,0]=4 2852 B19R3.2383301 FC1(COC1)CNCc2cccc3c2cc[nH]3 28ee6f94b897dfcf268be6b27b76fe21 [0,1,0,0,0,1|2,0,0]=4 2853 B19R3.2383301 FC1(COC1)CNCc2cccc3c2ccs3 2a15f1aefa20b98b64ddd8b80688b678 [0,1,0,0,0,1|2,0,0]=4 2854 B19R3.2383301 FC1(COC1)CNCc2cccc3c2nco3 afbbd498c73927abbc60c6358c081224 [0,1,0,0,0,1|2,0,0]=4 2855 B19R3.2383301 FC1(COC1)CNCc2cccc3c2ncs3 0deb2dd53fc32f291173c2a00a1d05df [0,1,0,0,0,1|2,0,0]=4 2856 B19R3.2383301 FC1(COC1)CNCc2cccc3c2occ3 d7b70214bafb856cc8deffedf6086ce9 [0,1,0,0,0,1|0,1,0]=3 2857 B19R3.2383301 FC1(COC1)CNCc2cccc3c2ocn3 664de146c9c4bfc9ca221b84ca634a56 [0,1,0,0,0,1|1,1,0]=4 2858 B19R3.2383301 FC1(COC1)CNCc2cccc3c2scc3 1c3edd7a672eed1f40d5c7d16f48d1f7 [0,1,0,0,0,1|0,0,0]=2 2859 B19R3.2383301 FC1(COC1)CNCc2cccc3c2scn3 78940e5bb8018a1d732230884d8a7692 [0,1,0,0,0,1|1,0,0]=3 2860 B19R3.2383301 FC1(COC1)CNCc2cccc3n2ncc3 49e46db056a7cbcf1c39cd00e03ba4a5 [0,1,0,0,0,1|2,0,0]=4 2861 B19R3.2383301 FC1(COC1)CNCc2cccn3c2ncc3 fc1a3388768dc08543169aa9d853a5ff [0,1,0,0,0,1|2,0,0]=4 2862 B19R3.2383301 FC1(COC1)COCc2cccc3c2[nH]cc3 b81058d0ee0fb2796d8b47c90702090c [0,1,0,0,0,1|2,0,0]=4 2863 B19R3.2383301 FC1(COC1)COCc2cccc3c2occ3 d93eeda063edf87c8ce0850078230c8a [0,1,0,0,0,1|1,1,0]=4 2864 B19R3.2383301 FC1(COC1)COCc2cccc3c2scc3 de649d3e687543c499811e33658ed982 [0,1,0,0,0,1|1,0,0]=3 2865 B19R3.2383301 FC1(COC1)COCc2cccc3c2scn3 940dd0c8a277f6a324a56c7771a9504f [0,1,0,0,0,1|2,0,0]=4 2866 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2[nH]nc3 9aa5449da13a7800ce3c564449d03b8c [0,1,0,0,0,1|2,0,0]=4 2867 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2ccs3 e4dc7490769f76f29a431796a0f9398b [0,1,0,0,0,1|2,0,0]=4 2868 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2nco3 42abe2e830848f2419ac2c1715479f0c [0,1,0,0,0,1|2,0,0]=4 2869 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2ncs3 c0e5d8a16e2095b9ce47856f29b45846 [0,1,0,0,0,1|2,0,0]=4 2870 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2ocn3 24ee501f771e6715a556e7c48ed1dd5a [0,1,0,0,0,1|1,1,0]=4 2871 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2scc3 32c0d350d1bbf8d94d412310bd16c8eb [0,1,0,0,0,1|0,0,0]=2 2872 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2scn3 ac6d6da93f4c52aced5d5ea3b66d5ca4 [0,1,0,0,0,1|1,0,0]=3 2873 B19R3.2383301 OC1(CCC1)CNCc2cccc3n2ncc3 dfa70e59b98aad779d6e61bdcca804f5 [0,1,0,0,0,1|2,0,0]=4 2874 B19R3.2383301 OC1(COC1)CCNc2cccc3c2scc3 0c873f89e59ada158cc3cd6c96d3bba6 [0,1,0,0,0,1|2,0,0]=4 2875 B19R3.2383301 OC1(COC1)CNCc2cccc3c2[nH]nc3 4f7051bb74a61bffa254ed8ec17123fa [0,1,0,0,0,1|2,0,0]=4 2876 B19R3.2383301 OC1(COC1)CNCc2cccc3c2ccs3 187cb294bdc9a30ef8d1f05060e31e07 [0,1,0,0,0,1|2,0,0]=4 2877 B19R3.2383301 OC1(COC1)CNCc2cccc3c2nco3 20a244a6a4b7241947aaa83f44032031 [0,1,0,0,0,1|2,0,0]=4 2878 B19R3.2383301 OC1(COC1)CNCc2cccc3c2ncs3 86dcfc6fe6aee5dacff0c5cbd54d77ec [0,1,0,0,0,1|2,0,0]=4 2879 B19R3.2383301 OC1(COC1)CNCc2cccc3c2ocn3 602536c87f232e87f1ccac7961f63278 [0,1,0,0,0,1|1,1,0]=4 2880 B19R3.2383301 OC1(COC1)CNCc2cccc3c2scc3 2dea6585c62946c61b6652ed0d0ae907 [0,1,0,0,0,1|0,0,0]=2 2881 B19R3.2383301 OC1(COC1)CNCc2cccc3n2ncc3 f53b8558acd39485b755ac54ec2d711c [0,1,0,0,0,1|2,0,0]=4 2882 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3CCC3 af5e8b49ac1c9ab84755dc9d91a01f76 [0,1,0,0,0,1|1,0,0]=3 2883 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3CCO3 7ff9456a4db38c26ea82eda313b62d25 [0,1,0,0,0,1|1,0,0]=3 2884 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3COC3 3d11c583b230d6ba9bda9c43ab0d7508 [0,1,0,0,0,1|1,0,0]=3 2885 B19R3.7684174 Cn1ccc2c1c(ccc2)CNC[C@@H]3CCO3 6bbf480caee0962564c2b9fc0695e842 [0,1,0,0,0,1|1,0,0]=3 2886 B19R3.7684174 Cn1ccc2c1c(ccc2)CNC[C@H]3CCO3 139e2efca67c146073703b8532136c6b [0,1,0,0,0,1|1,0,0]=3 2887 B19R3.7684174 Cn1ccc2c1c(ccc2)COCC3CCC3 05dcc107c3780738dfa600514bcb37f7 [0,1,0,0,0,1|2,0,0]=4 2888 B19R3.7684174 Cn1ccc2c1c(ccc2)COCC3CCO3 56bd4d846db08ca15ca4e31922c5e51a [0,1,0,0,0,1|2,0,0]=4 2889 B19R3.7684174 Cn1ccc2c1c(ccc2)COCC3COC3 9c87603ae350f0e14723d9e0e8937cad [0,1,0,0,0,1|2,0,0]=4 2890 B19R3.7684174 Cn1ccc2c1c(ccc2)COC[C@@H]3CCO3 6838c9ba8748ad70e5e7ecd85bcdbdfe [0,1,0,0,0,1|2,0,0]=4 2891 B19R3.7684174 Cn1ccc2c1c(ccc2)COC[C@H]3CCO3 8d1147d046d7ccd7534b89cbd2f707d9 [0,1,0,0,0,1|2,0,0]=4 2892 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3CCC3 b554e7fd8762c8f7b9626fbf8e51c414 [0,1,0,0,0,1|2,0,0]=4 2893 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3CCO3 551f69a250f016515e4f18754e684181 [0,1,0,0,0,1|2,0,0]=4 2894 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3COC3 705eb8a330a5157caaaade50da8370dc [0,1,0,0,0,1|2,0,0]=4 2895 B19R3.7684174 Cn1ncc2c1c(ccc2)CNC[C@@H]3CCO3 a23915028be10072616357a50b5fea39 [0,1,0,0,0,1|2,0,0]=4 2896 B19R3.7684174 Cn1ncc2c1c(ccc2)CNC[C@H]3CCO3 e57a6787810d685b4575c07286d2e921 [0,1,0,0,0,1|2,0,0]=4 2897 B19R3.2310 Cn1ccc2c1cccc2CNCCC3CC3 45e59026105cc96e140ef5c7e1bd81d9 [0,1,0,0,0,1|2,0,0]=4 2898 B19R3.2310 O=C1NCc2c1cccc2CNCCC3CC3 4fb40b982bd0fec07c039104f8e5bb28 [0,1,0,0,0,1|2,0,0]=4 2899 B19R3.156715 Cc1cc(c2sccc2c1)NCCOC3CC3 84aabafe9e69366fe87e1e991376a29e [0,1,0,0,0,1|2,0,0]=4 2900 B19R3.156715 Fc1cc(c2cc[nH]c2c1)CNCCC3CC3 0408a06e9db2e5679974bf8510320476 [0,1,0,0,0,1|2,0,0]=4 2901 B19R3.181434 Cc1cc2cccc(c2s1)CNCCC3CC3 202c304e9963eba59cd74b2724c486e3 [0,1,0,0,0,1|0,0,0]=2 2902 B19R3.181434 Cc1cc2cccc(c2s1)CNCCN3CC3 77b5b7633cb143348d80fc43683fe54c [0,1,0,0,0,1|1,0,0]=3 2903 B19R3.181434 Cc1cc2cccc(c2s1)COCCC3CC3 1c28e7a54f5ea89999fccc5d255329bb [0,1,0,0,0,1|1,0,0]=3 2904 B19R3.181434 Cc1cc2cccc(c2s1)COCCN3CC3 8ad2139e2ff8d8c275e92dc86d71dda5 [0,1,0,0,0,1|2,0,0]=4 2905 B19R3.181434 Cc1cc2cccc(c2s1)NCCOC3CC3 e06a05ce7727a9b947a4712419c9216a [0,1,0,0,0,1|2,0,0]=4 2906 B19R3.181434 Cn1cc2cccc(c2n1)CNCCC3CC3 b38d4fe21cc191b501a02e781b7f5e33 [0,1,0,0,0,1|2,0,0]=4 2907 B19R3.181434 O=C1Cc2c(cccc2N1)CCNCC3CC3 e92a1bf3ab6ecdeea2c592dc1376113e [0,1,0,0,0,1|2,0,0]=4 2908 B19R3.181434 O=C1Cc2cccc(c2N1)CNCCC3CC3 c2da0054037e53411e97aa43019de4ce [0,1,0,0,0,1|1,0,1]=4 2909 B19R3.202265 CN(CCC1CC1)Cc2cccc3c2cc[nH]3 692e05cb20420b45ae317fc78f2a0ce2 [0,1,0,0,0,1|2,0,0]=4 2910 B19R3.202265 O=C(Cc1cccc2c1ccs2)NCC3CC3 8a0a363dc35b558030d116284541c5b9 [0,1,0,0,0,1|2,0,0]=4 2911 B19R3.202265 O=C(NCC1CC1)Nc2cccc3c2[nH]cc3 9d80bb89179f66d1effa38ce77d540ee [0,1,0,0,0,1|1,0,1]=4 2912 B19R3.202265 O=C(NCC1CC1)Nc2ccnc3c2scc3 a21afbb63cc6d2b2de10a49171f55021 [0,1,0,0,0,1|1,0,1]=4 2913 B19R3.202265 O=C(NCC1CC1)Nc2nccc3c2scc3 3858475784e366055bd58ad85312158e [0,1,0,0,0,1|1,0,1]=4 2914 B19R3.202265 S=C(NCC1CC1)Nc2cccc3c2[nH]cc3 76e772ca647b1f91b0a370ec83032791 [0,1,0,0,0,1|1,0,1]=4 2915 B19R3.202265 S=C(NCC1CC1)Nc2cccc3c2occ3 30aa072d33655805a810b85336743f3f [0,1,0,0,0,1|0,1,1]=4 2916 B19R3.202265 S=C(NCC1CC1)Nc2cccc3c2scn3 54b6be93d5418d50efd6a5c8a3fd6f3e [0,1,0,0,0,1|1,0,1]=4 2917 B19R3.202265 S=C(NCC1CC1)Nc2cccc3c2snc3 1f0508a8e124b7a14158088a8199d162 [0,1,0,0,0,1|1,0,1]=4 2918 B19R3.202265 S=C(NCC1CC1)Nc2ccnc3c2scc3 18fc45422ecb84647a3181fc04aa63b3 [0,1,0,0,0,1|1,0,1]=4 2919 B19R3.202265 S=C(NCC1CC1)Nc2nccc3c2scc3 a0b72fdee5b8716af67939cd280e2045 [0,1,0,0,0,1|1,0,1]=4 2920 B19R3.425128 Fc1ccc(c2c1ccs2)NCCOC3CC3 8df57fcb913248addf79f965f1ce51dc [0,1,0,0,0,1|2,0,0]=4 2921 B19R3.678501 CC(CC1CC1)OCc2cccc3c2scc3 01e9b95638a9a92ebf0fb59a2dbacc38 [0,1,0,0,0,1|1,0,0]=3 2922 B19R3.678501 CC(CC1CC1)OCc2cccc3c2scn3 35aa64f031128f95ee3786912534208e [0,1,0,0,0,1|2,0,0]=4 2923 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2ccs3 02df91ec8c655be32d9cd2748f9f125d [0,1,0,0,0,1|2,0,0]=4 2924 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2occ3 15d814ebf34c56a891158785ef41fc0e [0,1,0,0,0,1|0,1,0]=3 2925 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2scc3 217ac9504932e0632e0d4d9452c26465 [0,1,0,0,0,1|0,0,0]=2 2926 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2scn3 ed5b62f81a3b2162c91099f633dda9a9 [0,1,0,0,0,1|1,0,0]=3 2927 B19R3.678501 O=C(CC1CC1)NCc2cccc3n2ncc3 1dbebaad6cf66ec902f727cf0be9004c [0,1,0,0,0,1|2,0,0]=4 2928 B19R3.678501 O=C(CC1CC1)NCc2cccn3c2ncc3 3ce9753e4a0995ff30f2f0313f138756 [0,1,0,0,0,1|2,0,0]=4 2929 B19R3.678501 O=C(CNc1cccc2c1scc2)NC3CC3 035791916dab6efd3ecbe70ccc2c3d37 [0,1,0,0,0,1|2,0,0]=4 2930 B19R3.678501 O=C(COc1cccc2c1scc2)NC3CC3 647579b35d2fdb318c1846c86b5a25e4 [0,1,0,0,0,1|2,0,0]=4 2931 B19R3.678501 O=C(NCc1cccc2c1[nH]cc2)NC3CC3 2787afb8d947b6d92b48ca3e3a3f53d3 [0,1,0,0,0,1|1,0,1]=4 2932 B19R3.678501 O=C(NCc1cccc2c1occ2)NC3CC3 1fed40e0b5e699f7368152451097d4e4 [0,1,0,0,0,1|0,1,1]=4 2933 B19R3.678501 O=C(NCc1cccc2c1scc2)NC3CC3 2c14e931c286b3a311fa58986918cfb3 [0,1,0,0,0,1|0,0,1]=3 2934 B19R3.678501 O=C(NCc1cccc2c1scn2)NC3CC3 931c7c540e6847636b1160bd0ecaf883 [0,1,0,0,0,1|1,0,1]=4 2935 B19R3.678501 S=C(NCc1cccc2c1[nH]cc2)NC3CC3 ec17c0d43f6e79021815fbb1891981ad [0,1,0,0,0,1|1,0,1]=4 2936 B19R3.678501 S=C(NCc1cccc2c1occ2)NC3CC3 90e568806a27d57ff204c98128b7f8b8 [0,1,0,0,0,1|0,1,1]=4 2937 B19R3.678501 S=C(NCc1cccc2c1scc2)NC3CC3 56d603417987d9c2cb961dc01f2a19cc [0,1,0,0,0,1|0,0,1]=3 2938 B19R3.678501 S=C(NCc1cccc2c1scn2)NC3CC3 0bc1784e423fcb5c360f1e849d1b0139 [0,1,0,0,0,1|1,0,1]=4 2939 B19R3.678599 CC(NCCC1CC1)c2cccc3c2[nH]cc3 5d9739069e26bb5b566598d57e8e71b9 [0,1,0,0,0,1|1,0,0]=3 2940 B19R3.678599 CC(OCCC1CC1)c2cccc3c2CC=C3 2c59d380d9fe8d28b2f312e5606f4d21 [0,1,0,0,0,1|2,0,0]=4 2941 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2occ3 671343be012c6fdedb59b8a0a1346d60 [0,1,0,0,0,1|0,1,1]=4 2942 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scc3 5765a294832550a5cb031116299714c1 [0,1,0,0,0,1|0,0,1]=3 2943 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scn3 b7a8153800506e6e70a6f986a2d68c4d [0,1,0,0,0,1|1,0,1]=4 2944 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2snc3 78729a09f36073be6fc60aa7ccfe0828 [0,1,0,0,0,1|1,0,1]=4 2945 B19R3.678599 O=C(NCCC1CC1)c2ccnc3c2scc3 21dfeea22c8b066c0d10f1e4b56785aa [0,1,0,0,0,1|1,0,1]=4 2946 B19R3.678599 O=C(NCCC1CC1)c2nccc3c2scc3 5229a970f94263fa7fa712d6246ff48f [0,1,0,0,0,1|1,0,1]=4 2947 B19R3.678599 O=C(NCCN1CC1)c2cccc3c2scc3 171a3a1b8718cc924591cca287505a51 [0,1,0,0,0,1|1,0,1]=4 2948 B19R3.679145 CC(COCc1cccc2c1scc2)C3CC3 054aa538af2eea1261f363166b92d2f3 [0,1,0,0,0,1|1,0,0]=3 2949 B19R3.679145 CC(NCCc1cccc2c1cc[nH]2)C3CC3 8d78c0ca44ea7bcc5b2cd13a37db2cf1 [0,1,0,0,0,1|2,0,0]=4 2950 B19R3.679145 O=C(CNCc1cccc2c1[nH]cc2)C3CC3 6cd47cf5763b5ee9aedd418e8b9c7c4b [0,1,0,0,0,1|1,0,0]=3 2951 B19R3.679145 O=C(CNCc1cccc2c1[nH]nc2)C3CC3 dff5df8b7fea851b69a07e219eba7d70 [0,1,0,0,0,1|2,0,0]=4 2952 B19R3.679145 O=C(CNCc1cccc2c1cc[nH]2)C3CC3 d097a24499aea857e8da09aa641b1bf2 [0,1,0,0,0,1|2,0,0]=4 2953 B19R3.679145 O=C(CNCc1cccc2c1ccs2)C3CC3 92ad087face649b1c2deeb5f3ac60c93 [0,1,0,0,0,1|2,0,0]=4 2954 B19R3.679145 O=C(CNCc1cccc2c1occ2)C3CC3 2fa4e345c7dc2ac56b957ec38f7d8a83 [0,1,0,0,0,1|0,1,0]=3 2955 B19R3.679145 O=C(CNCc1cccc2c1scc2)C3CC3 fe006e4ab2ba4a7625cc29c70bcf5d29 [0,1,0,0,0,1|0,0,0]=2 2956 B19R3.679145 O=C(CNCc1cccc2c1scn2)C3CC3 87cbd0acaf4187780924e72372168a75 [0,1,0,0,0,1|1,0,0]=3 2957 B19R3.679145 O=C(CNCc1cccc2n1ncc2)C3CC3 176b3ac20fda568e0a4bc364491a50ca [0,1,0,0,0,1|2,0,0]=4 2958 B19R3.679145 O=C(CNCc1cccn2c1ncc2)C3CC3 9a7ef6937213e59941215a6d8af72ce7 [0,1,0,0,0,1|2,0,0]=4 2959 B19R3.679145 O=C(COCc1cccc2c1[nH]cc2)C3CC3 4b76e291f0cfe0252a882da32e8d492a [0,1,0,0,0,1|2,0,0]=4 2960 B19R3.679145 O=C(COCc1cccc2c1occ2)C3CC3 9e92f8a083147f841418830b37d4fac2 [0,1,0,0,0,1|1,1,0]=4 2961 B19R3.679145 O=C(COCc1cccc2c1scc2)C3CC3 6272bde0366dd439e7103003d4e28fde [0,1,0,0,0,1|1,0,0]=3 2962 B19R3.679145 O=C(COCc1cccc2c1scn2)C3CC3 abc2560b4c92a9f5ff9af3aa7b6d9322 [0,1,0,0,0,1|2,0,0]=4 2963 B19R3.679145 OC(CNCc1cccc2c1[nH]cc2)C3CC3 68ff95dd5a1b5c056a159f7c39672d9c [0,1,0,0,0,1|1,0,0]=3 2964 B19R3.679145 OC(CNCc1cccc2c1[nH]nc2)C3CC3 86339d1716527486499ad87b8a84ef85 [0,1,0,0,0,1|2,0,0]=4 2965 B19R3.679145 OC(CNCc1cccc2c1cc[nH]2)C3CC3 080f4af33c1783caad23ad1c72de313d [0,1,0,0,0,1|2,0,0]=4 2966 B19R3.679145 OC(CNCc1cccc2c1ccs2)C3CC3 570a9a3828afd4c4b586ecf0b0f19b51 [0,1,0,0,0,1|2,0,0]=4 2967 B19R3.679145 OC(CNCc1cccc2c1nco2)C3CC3 e050216564a464907e36771274b3e58e [0,1,0,0,0,1|2,0,0]=4 2968 B19R3.679145 OC(CNCc1cccc2c1ncs2)C3CC3 0eacdb3b6d50e51b3dbef9bca2a282df [0,1,0,0,0,1|2,0,0]=4 2969 B19R3.679145 OC(CNCc1cccc2c1occ2)C3CC3 76b2ca1981caa21513eed4de87ebfb4a [0,1,0,0,0,1|0,1,0]=3 2970 B19R3.679145 OC(CNCc1cccc2c1ocn2)C3CC3 1f6bcf7c99b26013461bd2ec06833ecb [0,1,0,0,0,1|1,1,0]=4 2971 B19R3.679145 OC(CNCc1cccc2c1scc2)C3CC3 7ce877f4733f237850ddd04e472a71a1 [0,1,0,0,0,1|0,0,0]=2 2972 B19R3.679145 OC(CNCc1cccc2c1scn2)C3CC3 488a529cd18d0202a73479076d403319 [0,1,0,0,0,1|1,0,0]=3 2973 B19R3.679145 OC(CNCc1cccc2n1ncc2)C3CC3 04e8d11e902edcef2473d9403d039bc5 [0,1,0,0,0,1|2,0,0]=4 2974 B19R3.679145 OC(CNCc1cccn2c1ncc2)C3CC3 4291e9c447adbd934b2e423834f9cc4b [0,1,0,0,0,1|2,0,0]=4 2975 B19R3.2244942 CC1(CC1)CCOCc2cccc3c2scc3 588a4647132c95723e27b963b2d6a73c [0,1,0,0,0,1|1,0,0]=3 2976 B19R3.2244942 CC1(CC1)CCOCc2cccc3c2scn3 7cc9d25dde4d17bcb881916c4bad09a9 [0,1,0,0,0,1|2,0,0]=4 2977 B19R3.2244942 CC1(CC1)CNCCc2cccc3c2cc[nH]3 1353b871017ce26ae81630da6b1002e2 [0,1,0,0,0,1|2,0,0]=4 2978 B19R3.2244942 OC1(CC1)CCNCc2cccc3c2[nH]nc3 52b1dc0043fa39893ce10995ee5a3e87 [0,1,0,0,0,1|2,0,0]=4 2979 B19R3.2244942 OC1(CC1)CCNCc2cccc3c2ccs3 00747714db517f86e642d28f6f20acf3 [0,1,0,0,0,1|2,0,0]=4 2980 B19R3.2244942 OC1(CC1)CCNCc2cccc3c2nco3 5da22f3ddb7d4103d4627b5569ab9900 [0,1,0,0,0,1|2,0,0]=4 2981 B19R3.2244942 OC1(CC1)CCNCc2cccc3c2ncs3 be1867a7d2a58a5af760b829e89998bd [0,1,0,0,0,1|2,0,0]=4 2982 B19R3.2244942 OC1(CC1)CCNCc2cccc3c2ocn3 8d04413729fb5633de696f16a87ca04a [0,1,0,0,0,1|1,1,0]=4 2983 B19R3.2244942 OC1(CC1)CCNCc2cccc3c2scc3 f2d6b9cfdc59a3344892e2dda76a664d [0,1,0,0,0,1|0,0,0]=2 2984 B19R3.2244942 OC1(CC1)CCNCc2cccc3c2scn3 4eef9904282d233bd85ce866f7936da7 [0,1,0,0,0,1|1,0,0]=3 2985 B19R3.2244942 OC1(CC1)CCNCc2cccc3n2ncc3 3b332f11ec9a4abc08d68b2cc5cdb5c8 [0,1,0,0,0,1|2,0,0]=4 2986 B19R3.7684180 Cn1ccc2c1c(ccc2)CNCCC3CC3 33f28e577fa654ed3353b1da011c20fc [0,1,0,0,0,1|1,0,0]=3 2987 B19R3.7684180 Cn1ccc2c1c(ccc2)COCCC3CC3 99c3edf8d37573735f3c928f4f42fb57 [0,1,0,0,0,1|2,0,0]=4 2988 B19R3.7684180 Cn1ncc2c1c(ccc2)CNCCC3CC3 91ede4476bab817e01b581f3d96ffa9b [0,1,0,0,0,1|2,0,0]=4 2989 B19R3.1438 CCn1ccc2c1cccc2CNCC3CC3 b6b0e58088ee433a3e2aebd01247501e [0,2,0,0,0,0|2,0,0]=4 2990 B19R3.2307 CC(NCC1CC1)c2cccc3c2ccn3C 01b4d01b11c30a596f60d2f9589427a8 [0,2,0,0,0,0|2,0,0]=4 2991 B19R3.2307 O=C(NCC1CC1)c2cccc3c2scc3Br 7e0bf7bd5b3481969d638a20ca67a2d3 [0,2,0,0,0,0|0,0,1]=3 2992 B19R3.2340 CC(NCc1cccc2c1CNC2=O)C3CC3 3a024d3d720537e39b53fedd73e51d4b [0,2,0,0,0,0|2,0,0]=4 2993 B19R3.2340 CC(NCc1cccc2c1ccn2C)C3CC3 2f984fcad53cb99e7939b25a2a694d14 [0,2,0,0,0,0|2,0,0]=4 2994 B19R3.88736 CC1(CC1)CNCc2cccc3c2CNC3=O 5c737347f81a755a236e23b695cb5266 [0,2,0,0,0,0|2,0,0]=4 2995 B19R3.88736 Cn1ccc2c1cccc2CNCC3(CC3)C c266e1d07ead05385fd4b2c7842e0739 [0,2,0,0,0,0|2,0,0]=4 2996 B19R3.88736 Cn1ccc2c1cccc2CNCC3(CC3)F 42193c36a2363feb57f67659009ef37d [0,2,0,0,0,0|2,0,0]=4 2997 B19R3.88736 O=C1NCc2c1cccc2CNCC3(CC3)F dff7428310aeda6fab52d20094d231df [0,2,0,0,0,0|2,0,0]=4 2998 B19R3.15456 C#C[C@H]1C[C@H]1COCc2cccc3c2scc3 2342995bd4441f918ecf77e1c3558866 [0,2,0,0,0,0|1,0,0]=3 2999 B19R3.15456 C#C[C@H]1C[C@H]1COCc2cccc3c2scn3 2afaf4d42e32a10c0d2fe34cb80ad26b [0,2,0,0,0,0|2,0,0]=4 3000 B19R3.15456 N#CC1CC1COCc2cccc3c2scc3 d4c10a9320b852cb757cb31a3151541a [0,2,0,0,0,0|1,0,0]=3 3001 B19R3.15456 N#CC1CC1COCc2cccc3c2scn3 585e6906a3889d176d8465d4f4b0946e [0,2,0,0,0,0|2,0,0]=4 3002 B19R3.15456 OCC1CC1CNCc2cccc3c2[nH]nc3 ead10a7fea11ac6ba68070c31b8fa643 [0,2,0,0,0,0|2,0,0]=4 3003 B19R3.15456 OCC1CC1CNCc2cccc3c2ccs3 edcb80be74d75db11ba1850b87970e12 [0,2,0,0,0,0|2,0,0]=4 3004 B19R3.15456 OCC1CC1CNCc2cccc3c2nco3 7534347d40ccdc90cb63691752e7d258 [0,2,0,0,0,0|2,0,0]=4 3005 B19R3.15456 OCC1CC1CNCc2cccc3c2ncs3 9637471b259ffddd32dfd241d7fb4e7d [0,2,0,0,0,0|2,0,0]=4 3006 B19R3.15456 OCC1CC1CNCc2cccc3c2ocn3 6e1cebd2665d962526fd4edf1361dfc7 [0,2,0,0,0,0|1,1,0]=4 3007 B19R3.15456 OCC1CC1CNCc2cccc3c2scc3 a1cb394b2beafd366465a0d8f2d1b4d7 [0,2,0,0,0,0|0,0,0]=2 3008 B19R3.15456 OCC1CC1CNCc2cccc3c2scn3 1745fcbdb1d5a0bbc037e7d852de9f52 [0,2,0,0,0,0|1,0,0]=3 3009 B19R3.15456 OCC1CC1CNCc2cccc3n2ncc3 2dfc59aee5817e10bf1020626398bbc6 [0,2,0,0,0,0|2,0,0]=4 3010 B19R3.74032 CC1(CC1F)COCc2cccc3c2scc3 8f1384b7f2d0ddf1201df73015b2ce77 [0,2,0,0,0,0|1,0,0]=3 3011 B19R3.74032 CC1(CC1F)COCc2cccc3c2scn3 6592851484b831e304e8c580b8366da5 [0,2,0,0,0,0|2,0,0]=4 3012 B19R3.181432 C=C1CC1COCc2cccc3c2sc(c3)C d8dcefdc2aeedeec2d6ce148def0d2a7 [0,2,0,0,0,0|1,0,1]=4 3013 B19R3.181432 Cc1cc2cccc(c2s1)COCC3CC3C 0517bb5449af9754ae95097e5ea9168b [0,2,0,0,0,0|1,0,0]=3 3014 B19R3.181432 Cc1cc2cccc(c2s1)COC[C@@H]3C[C@@H]3C d7c28e1c878223bca6394406866c2d3f [0,2,0,0,0,0|1,0,0]=3 3015 B19R3.181432 Cc1cc2cccc(c2s1)COC[C@@H]3C[C@@H]3F 721151a7703c9feaf5b3bdc80c0474cb [0,2,0,0,0,0|1,0,0]=3 3016 B19R3.181432 Cc1cc2cccc(c2s1)COC[C@@H]3C[C@H]3C 3f49ee7e534875b26e9349305e8d5c68 [0,2,0,0,0,0|1,0,0]=3 3017 B19R3.181432 Cc1cc2cccc(c2s1)COC[C@@H]3C[C@H]3F a2348b7efaf75456bf0e5278cd83696d [0,2,0,0,0,0|1,0,0]=3 3018 B19R3.181432 Cc1cc2cccc(c2s1)COC[C@H]3C[C@@H]3C a6a19bd0dec33b110135a79828105a91 [0,2,0,0,0,0|1,0,0]=3 3019 B19R3.181432 Cc1cc2cccc(c2s1)COC[C@H]3C[C@@H]3F 6999aa9b198e620060ff640d2a748db1 [0,2,0,0,0,0|1,0,0]=3 3020 B19R3.181432 Cc1cc2cccc(c2s1)COC[C@H]3C[C@H]3F ded83c0c6b153159a6d0b8439fd9d404 [0,2,0,0,0,0|1,0,0]=3 3021 B19R3.2384353 CC1(CC1COCc2cccc3c2scc3)C 3aca8a0735b9fceb16dc565a8a15ee1d [0,2,0,0,0,0|1,0,0]=3 3022 B19R3.2384353 CC1(CC1COCc2cccc3c2scn3)C 4fc123ed9c36f96009136fac1ccc6a56 [0,2,0,0,0,0|2,0,0]=4 3023 B19R3.2384353 CC1(C[C@@H]1CNCc2cccc3c2[nH]nc3)C d0cbe415d56f0ba3cbd9b7ca07a4c02f [0,2,0,0,0,0|2,0,0]=4 3024 B19R3.2384353 CC1(C[C@@H]1CNCc2cccc3c2ccs3)C d04ac026333a12073a020636d3b2f5d5 [0,2,0,0,0,0|2,0,0]=4 3025 B19R3.2384353 CC1(C[C@@H]1CNCc2cccc3c2nco3)C d5793b8019e4fbb05d704ab2f9f3f5c7 [0,2,0,0,0,0|2,0,0]=4 3026 B19R3.2384353 CC1(C[C@@H]1CNCc2cccc3c2ncs3)C dc810b1aff3c5373cfd4bbf2919b519d [0,2,0,0,0,0|2,0,0]=4 3027 B19R3.2384353 CC1(C[C@@H]1CNCc2cccc3c2ocn3)C 987af1be02083a3330e00c69a40e5181 [0,2,0,0,0,0|1,1,0]=4 3028 B19R3.2384353 CC1(C[C@@H]1CNCc2cccc3c2scc3)C 8242db47187beafb9c94b307fa4c03f2 [0,2,0,0,0,0|0,0,0]=2 3029 B19R3.2384353 CC1(C[C@@H]1CNCc2cccc3n2ncc3)C cdefd3702c8397e40187c0b5942f544b [0,2,0,0,0,0|2,0,0]=4 3030 B19R3.2384353 CC1(C[C@@H]1COCc2cccc3c2scc3)C f1063d04a6e21c30231de1b0f040e711 [0,2,0,0,0,0|1,0,0]=3 3031 B19R3.2384353 CC1(C[C@@H]1COCc2cccc3c2scn3)C 025902f44ec8c3fe1b8b9297ce0e188f [0,2,0,0,0,0|2,0,0]=4 3032 B19R3.2384353 CC1(C[C@H]1CNCc2cccc3c2[nH]nc3)C 7bccd136777de2e9e95de8a59ad33fb2 [0,2,0,0,0,0|2,0,0]=4 3033 B19R3.2384353 CC1(C[C@H]1CNCc2cccc3c2ccs3)C e57c6d1018b51bf65b5453856d130a27 [0,2,0,0,0,0|2,0,0]=4 3034 B19R3.2384353 CC1(C[C@H]1CNCc2cccc3c2nco3)C 2fb0ade288044cab5e32582b0740aaec [0,2,0,0,0,0|2,0,0]=4 3035 B19R3.2384353 CC1(C[C@H]1CNCc2cccc3c2ncs3)C 15bd8fddea63ee14941f85f6876621c8 [0,2,0,0,0,0|2,0,0]=4 3036 B19R3.2384353 CC1(C[C@H]1CNCc2cccc3c2ocn3)C 2f633f4dbcaca97cc6a4699584967c64 [0,2,0,0,0,0|1,1,0]=4 3037 B19R3.2384353 CC1(C[C@H]1CNCc2cccc3c2scc3)C cd3c9cee674787e8d88933fb1b619b52 [0,2,0,0,0,0|0,0,0]=2 3038 B19R3.2384353 CC1(C[C@H]1CNCc2cccc3n2ncc3)C 681ee7eeb755fda0f094649987798277 [0,2,0,0,0,0|2,0,0]=4 3039 B19R3.2384353 CC1(C[C@H]1COCc2cccc3c2scc3)C 17185acb617111496b32926715b1c1ea [0,2,0,0,0,0|1,0,0]=3 3040 B19R3.2384353 CC1(C[C@H]1COCc2cccc3c2scn3)C 336936bb916badc671b75cce64f15800 [0,2,0,0,0,0|2,0,0]=4 3041 B19R3.2384353 FC1(CC1CCOc2cccc3c2scc3)F 0f9f419919a506c48331853142d03a78 [0,2,0,0,0,0|2,0,0]=4 3042 B19R3.2384353 FC1(CC1CNCc2cccc3c2[nH]cc3)F 9c8bbb2144da98c5d49ca0895b4ecb2c [0,2,0,0,0,0|1,0,0]=3 3043 B19R3.2384353 FC1(CC1CNCc2cccc3c2[nH]nc3)F ecaafd209920ac220e615e27aa924fa3 [0,2,0,0,0,0|2,0,0]=4 3044 B19R3.2384353 FC1(CC1CNCc2cccc3c2cc[nH]3)F d91fe97352a55e504691e6cc170c9384 [0,2,0,0,0,0|2,0,0]=4 3045 B19R3.2384353 FC1(CC1CNCc2cccc3c2ccs3)F 26c36f32af36dd42387f729e9cd9cd50 [0,2,0,0,0,0|2,0,0]=4 3046 B19R3.2384353 FC1(CC1CNCc2cccc3c2occ3)F 6840240a686a70b02e55a87a88628df9 [0,2,0,0,0,0|0,1,0]=3 3047 B19R3.2384353 FC1(CC1CNCc2cccc3c2scc3)F bf995967e1f42b61798b135bb17fbd2d [0,2,0,0,0,0|0,0,0]=2 3048 B19R3.2384353 FC1(CC1CNCc2cccc3c2scn3)F f825b0c9de0aaca19b23aaf126a67503 [0,2,0,0,0,0|1,0,0]=3 3049 B19R3.2384353 FC1(CC1CNCc2cccc3n2ncc3)F 05ac32e65be812db54a6979b22142c18 [0,2,0,0,0,0|2,0,0]=4 3050 B19R3.2384353 FC1(CC1CNCc2cccn3c2ncc3)F 9047be3a8e5d254613a8dd5238447e87 [0,2,0,0,0,0|2,0,0]=4 3051 B19R3.2384353 FC1(CC1COCc2cccc3c2[nH]cc3)F 30404ba110c61852dd51205216cc7a09 [0,2,0,0,0,0|2,0,0]=4 3052 B19R3.2384353 FC1(CC1COCc2cccc3c2occ3)F 854fe45ed49e817e8582fae544aacf95 [0,2,0,0,0,0|1,1,0]=4 3053 B19R3.2384353 FC1(CC1COCc2cccc3c2scc3)F 8e2e4153cf9961c7ec329e1079156ec2 [0,2,0,0,0,0|1,0,0]=3 3054 B19R3.2384353 FC1(CC1COCc2cccc3c2scn3)F e97c8eacf2bbd8a021a8d94e3a059e7b [0,2,0,0,0,0|2,0,0]=4 3055 B19R3.2384353 FC1(C[C@@H]1CNCc2cccc3c2[nH]cc3)F 6bfa8151737581f0dd0ba3719c6d0e20 [0,2,0,0,0,0|1,0,0]=3 3056 B19R3.2384353 FC1(C[C@@H]1CNCc2cccc3c2[nH]nc3)F b99525757c9ca4fa8c0673b7dc750467 [0,2,0,0,0,0|2,0,0]=4 3057 B19R3.2384353 FC1(C[C@@H]1CNCc2cccc3c2cc[nH]3)F ce4b71c2686fd2eaa4af141d966fc58f [0,2,0,0,0,0|2,0,0]=4 3058 B19R3.2384353 FC1(C[C@@H]1CNCc2cccc3c2ccs3)F f99c06a8088cb54de960114af410912f [0,2,0,0,0,0|2,0,0]=4 3059 B19R3.2384353 FC1(C[C@@H]1CNCc2cccc3c2occ3)F c6d270b72f7ea8bc9360d6ba33170667 [0,2,0,0,0,0|0,1,0]=3 3060 B19R3.2384353 FC1(C[C@@H]1CNCc2cccc3c2scc3)F dc9ddfe57357c6b2d738a2471b38a526 [0,2,0,0,0,0|0,0,0]=2 3061 B19R3.2384353 FC1(C[C@@H]1CNCc2cccc3c2scn3)F 3570d6023fafc6f9d00d593735a3ac6d [0,2,0,0,0,0|1,0,0]=3 3062 B19R3.2384353 FC1(C[C@@H]1CNCc2cccc3n2ncc3)F 336b4678f455f7d26a5c31ca1b877b35 [0,2,0,0,0,0|2,0,0]=4 3063 B19R3.2384353 FC1(C[C@@H]1CNCc2cccn3c2ncc3)F c2c01dbb32176373670cead2b62b2291 [0,2,0,0,0,0|2,0,0]=4 3064 B19R3.2384353 FC1(C[C@@H]1COCc2cccc3c2[nH]cc3)F f16142276c943bd09431685f82c78d8c [0,2,0,0,0,0|2,0,0]=4 3065 B19R3.2384353 FC1(C[C@@H]1COCc2cccc3c2occ3)F 734a204be58b0697a95971e1fd9dbbb7 [0,2,0,0,0,0|1,1,0]=4 3066 B19R3.2384353 FC1(C[C@@H]1COCc2cccc3c2scc3)F 029c297e30cea10ed6c7ba5a40654f53 [0,2,0,0,0,0|1,0,0]=3 3067 B19R3.2384353 FC1(C[C@@H]1COCc2cccc3c2scn3)F 4109be27f67fe348d0bf18f733e530c0 [0,2,0,0,0,0|2,0,0]=4 3068 B19R3.2384353 FC1(C[C@H]1COCc2cccc3c2scc3)F dadaaa8afbc45afb5472bcc157410581 [0,2,0,0,0,0|1,0,0]=3 3069 B19R3.2384353 FC1(C[C@H]1COCc2cccc3c2scn3)F 5b8f05062bee26e91d5c69149640ab4d [0,2,0,0,0,0|2,0,0]=4 3070 B19R3.2151362 O=C(NCC1CC1)c2c(ccc3c2occ3)F ce6614ea2668c3137b1010bff1e8389f [0,2,0,0,0,0|0,1,1]=4 3071 B19R3.156730 CC(NCc1cc(cc2c1cc[nH]2)F)C3CC3 76bd258b7456306528055bbeb86369af [0,2,0,0,0,0|2,0,0]=4 3072 B19R3.156730 Cc1cc(c2sccc2c1)NCC(O)C3CC3 0dd04d48f1fa3109f59eeac79ec12c06 [0,2,0,0,0,0|2,0,0]=4 3073 B19R3.156733 O=C(NCC1CC1)c2cc(cc3c2occ3)F ef5839f01b1865c8575d28d45aa5abd3 [0,2,0,0,0,0|0,1,1]=4 3074 B19R3.3035481 CC1(CC1)CNCc2cc(cc3c2cc[nH]3)F d32edb2be45f9bd74b066539f24c78cb [0,2,0,0,0,0|2,0,0]=4 3075 B19R3.3035481 Fc1cc(c2cc[nH]c2c1)CNCC3(CC3)F 0caf8ab2ed977cd48b94f3352f5856f1 [0,2,0,0,0,0|2,0,0]=4 3076 B19R3.181407 Cc1cc2cccc(c2o1)C(=O)NCC3CC3 e8dd0f09774563b36b27d83caf843036 [0,2,0,0,0,0|0,1,1]=4 3077 B19R3.181407 Cc1nc2cccc(c2s1)C(=O)NCC3CC3 0690ddeaa676c54631f3c97e291259f9 [0,2,0,0,0,0|1,0,1]=4 3078 B19R3.181407 O=C(NCC1CC1)c2cccc3c2sc(n3)Cl 891360165ae75d2bf32e983ef891e008 [0,2,0,0,0,0|1,0,1]=4 3079 B19R3.181407 O=C(NCC1CC1)c2ccnc3c2sc(c3)Br df478feafb5f5ca045f552772ede07bf [0,2,0,0,0,0|1,0,1]=4 3080 B19R3.181416 CC(NCc1cccc2c1NC(=O)C2)C3CC3 ff03f82e487510fcc687eb8c34186338 [0,2,0,0,0,0|1,0,1]=4 3081 B19R3.181416 CC(NCc1cccc2c1nn(c2)C)C3CC3 6eb12398b58a44623168876a7460ae6d [0,2,0,0,0,0|2,0,0]=4 3082 B19R3.181416 C[C@@H](NCc1cccc2c1nn(c2)C)C3CC3 aacda37c267cdfb93cfc71f44688bdf6 [0,2,0,0,0,0|2,0,0]=4 3083 B19R3.181416 C[C@H](NCc1cccc2c1nn(c2)C)C3CC3 fce43b2544d1ba218da980ef0bbae538 [0,2,0,0,0,0|2,0,0]=4 3084 B19R3.181416 Cc1cc2cccc(c2s1)CN[C@@H](C)C3CC3 6e159b1961966210edd2d13aee0487f0 [0,2,0,0,0,0|0,0,0]=2 3085 B19R3.181416 Cc1cc2cccc(c2s1)CN[C@H](C)C3CC3 f28a5ed89a0b4c13017a119676e41d39 [0,2,0,0,0,0|0,0,0]=2 3086 B19R3.181416 Cc1cc2cccc(c2s1)COC(C)C3CC3 ba96bdab7c349dd23967e2ba1e251d45 [0,2,0,0,0,0|1,0,0]=3 3087 B19R3.181416 Cc1cc2cccc(c2s1)CO[C@@H](C)C3CC3 0469620b59c68950278e25e2bbf8f873 [0,2,0,0,0,0|1,0,0]=3 3088 B19R3.181416 Cc1cc2cccc(c2s1)CO[C@H](C)C3CC3 dfe4fc183c49d3ddb98c5d9ec1e0dc9c [0,2,0,0,0,0|1,0,0]=3 3089 B19R3.181426 CN(Cc1cccc2c1nn(c2)C)CC3CC3 7acc21a87dedd51eec3b489033c58efb [0,2,0,0,0,0|2,0,0]=4 3090 B19R3.181426 Cc1cc2cccc(c2s1)CN(C)CC3CC3 4eb4a2d4fc490954eb10a2b8d2c0072a [0,2,0,0,0,0|0,0,0]=2 3091 B19R3.507121 CC1(CC1)CNCc2cccc3c2NC(=O)C3 b754515c0e118225ad9eaad88f601919 [0,2,0,0,0,0|1,0,1]=4 3092 B19R3.507121 Cc1cc2cccc(c2s1)CNCC3(CC3)F 671c9cd7e402407411a1fd49610e081a [0,2,0,0,0,0|0,0,0]=2 3093 B19R3.507121 Cc1cc2cccc(c2s1)CNCC3(CC3)O abec23d038f3083b6371fb53edcc8096 [0,2,0,0,0,0|0,0,0]=2 3094 B19R3.507121 Cc1cc2cccc(c2s1)COCC3(CC3)Br b8b3fed7068ae6bc924a7d8cad270d7e [0,2,0,0,0,0|1,0,0]=3 3095 B19R3.507121 Cc1cc2cccc(c2s1)COCC3(CC3)C 61d5020d2fcd0757d76527222041c6cb [0,2,0,0,0,0|1,0,0]=3 3096 B19R3.507121 Cc1cc2cccc(c2s1)COCC3(CC3)Cl 53cf5e726830f27dcf4ada82dee2095e [0,2,0,0,0,0|1,0,0]=3 3097 B19R3.507121 Cc1cc2cccc(c2s1)COCC3(CC3)F df489962f185fce623d2f1f29e7c9724 [0,2,0,0,0,0|1,0,0]=3 3098 B19R3.507121 Cn1cc2cccc(c2n1)CNCC3(CC3)C 27e73e4566e1b155ea1b0ede7a023a21 [0,2,0,0,0,0|2,0,0]=4 3099 B19R3.507121 Cn1cc2cccc(c2n1)CNCC3(CC3)F f14b739276e83e5d073a7c7a6903477a [0,2,0,0,0,0|2,0,0]=4 3100 B19R3.507121 Cn1cc2cccc(c2n1)CNCC3(CC3)O 94c192e2c1b7d6ee50adea4d92e9fa80 [0,2,0,0,0,0|2,0,0]=4 3101 B19R3.507121 O=C1Cc2cccc(c2N1)CNCC3(CC3)F c5cfd585747f5d3cd5c0e028883fb07d [0,2,0,0,0,0|1,0,1]=4 3102 B19R3.324833 CCN(Cc1cccc2c1[nH]nc2)CC3CC3 47fc9c808a31e374a86ad54a8c94dbd9 [0,2,0,0,0,0|2,0,0]=4 3103 B19R3.324833 CCN(Cc1cccc2c1ccs2)CC3CC3 f7c384015efc8d96a6700cd3557bba63 [0,2,0,0,0,0|2,0,0]=4 3104 B19R3.324833 CCN(Cc1cccc2c1nco2)CC3CC3 3dce55b4d29c8d93033e2505f45ba664 [0,2,0,0,0,0|2,0,0]=4 3105 B19R3.324833 CCN(Cc1cccc2c1ncs2)CC3CC3 9c92b2712d97e6b95d32a632dc21d94c [0,2,0,0,0,0|2,0,0]=4 3106 B19R3.324833 CCN(Cc1cccc2c1ocn2)CC3CC3 8e7e80993c24dbfd370af2c1f9aa82f3 [0,2,0,0,0,0|1,1,0]=4 3107 B19R3.324833 CCN(Cc1cccc2c1scc2)CC3CC3 f697bb5796e801b496ce2e48948cab1e [0,2,0,0,0,0|0,0,0]=2 3108 B19R3.324833 CCN(Cc1cccc2c1scn2)CC3CC3 9923dbd97dd0786966e23546018045fe [0,2,0,0,0,0|1,0,0]=3 3109 B19R3.324833 CCN(Cc1cccc2n1ncc2)CC3CC3 13b4b902a6e346d3403507817908c85a [0,2,0,0,0,0|2,0,0]=4 3110 B19R3.7684171 CN(Cc1cccc2c1n(nc2)C)CC3CC3 6d954ffd920ff9478a2dcb6f07a35fa5 [0,2,0,0,0,0|2,0,0]=4 3111 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2occ3 6e902ef5d858f9de145b1f04006d1196 [0,2,0,0,0,0|0,1,1]=4 3112 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scc3 461d3eb60d7ae20d07f543667d5a1faa [0,2,0,0,0,0|0,0,1]=3 3113 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scn3 4662785971b11d3e79ceeae4e782ffce [0,2,0,0,0,0|1,0,1]=4 3114 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2snc3 8bc8e684defc22e0183068e4ee945ef8 [0,2,0,0,0,0|1,0,1]=4 3115 B19R3.10821793 CN(CC1CC1)C(=O)c2ccnc3c2scc3 971e2ce7d6f712cf96c960555baef639 [0,2,0,0,0,0|1,0,1]=4 3116 B19R3.10821793 CN(CC1CC1)C(=O)c2nccc3c2scc3 426556a8345e213954465162516066cb [0,2,0,0,0,0|1,0,1]=4 3117 B19R3.10835725 CC(C1CC1)N(C)Cc2cccc3c2[nH]nc3 87047e79154f333778a48081d0261e5a [0,2,0,0,0,0|2,0,0]=4 3118 B19R3.10835725 CC(C1CC1)N(C)Cc2cccc3c2cc[nH]3 e5dd413608e66b80c1ea18990679fd2b [0,2,0,0,0,0|2,0,0]=4 3119 B19R3.10835725 CC(C1CC1)N(C)Cc2cccc3c2ccs3 2dca4c80ea36d28beb71dd00471fe3c0 [0,2,0,0,0,0|2,0,0]=4 3120 B19R3.10835725 CC(C1CC1)N(C)Cc2cccc3c2nco3 49b41524e763ded129858bf25746bff1 [0,2,0,0,0,0|2,0,0]=4 3121 B19R3.10835725 CC(C1CC1)N(C)Cc2cccc3c2ncs3 ce2888e8fee9ce8c2d85b86c69706db0 [0,2,0,0,0,0|2,0,0]=4 3122 B19R3.10835725 CC(C1CC1)N(C)Cc2cccc3c2ocn3 06bad42374c48008d247e675e5c174ab [0,2,0,0,0,0|1,1,0]=4 3123 B19R3.10835725 CC(C1CC1)N(C)Cc2cccc3c2scc3 59e04418266f9e7c099127f3ff5e1ec3 [0,2,0,0,0,0|0,0,0]=2 3124 B19R3.10835725 CC(C1CC1)N(C)Cc2cccc3n2ncc3 1c7a14e9bbe9efa97757bf1693e53647 [0,2,0,0,0,0|2,0,0]=4 3125 B19R3.10835745 CN(Cc1cccc2c1[nH]nc2)CC3(CC3)C 0cad9b6396466ce65ce398e36aebfad0 [0,2,0,0,0,0|2,0,0]=4 3126 B19R3.10835745 CN(Cc1cccc2c1cc[nH]2)CC3(CC3)C ea1a3a514b2a37dffe7ba7f2ae39d1cb [0,2,0,0,0,0|2,0,0]=4 3127 B19R3.10835745 CN(Cc1cccc2c1cc[nH]2)CC3(CC3)F 32849e6d477e279b3103fb84616b50a3 [0,2,0,0,0,0|2,0,0]=4 3128 B19R3.10835745 CN(Cc1cccc2c1ccs2)CC3(CC3)C cd3c8fab81ee3c90cabf8d7858d2bcbe [0,2,0,0,0,0|2,0,0]=4 3129 B19R3.10835745 CN(Cc1cccc2c1nco2)CC3(CC3)C b2755778e32b18df8eb3be2c6e23b561 [0,2,0,0,0,0|2,0,0]=4 3130 B19R3.10835745 CN(Cc1cccc2c1ncs2)CC3(CC3)C 630ad471ca9a5b400cb01c46e7484f12 [0,2,0,0,0,0|2,0,0]=4 3131 B19R3.10835745 CN(Cc1cccc2c1ocn2)CC3(CC3)C d7ce8fcf93e42156154e4c2832733a30 [0,2,0,0,0,0|1,1,0]=4 3132 B19R3.10835745 CN(Cc1cccc2c1scc2)CC3(CC3)C 526e1adf33813acd30cd76f5ba878c65 [0,2,0,0,0,0|0,0,0]=2 3133 B19R3.10835745 CN(Cc1cccc2n1ncc2)CC3(CC3)C 70ffc06880f2e4a30a698c774cf03f38 [0,2,0,0,0,0|2,0,0]=4 3134 B19R3.1880766 C#CC1(CC1)COCc2cccc3c2scc3 367cba8d23b962bea1976fa6d66460f8 [0,2,0,0,0,0|1,0,0]=3 3135 B19R3.1880766 C#CC1(CC1)COCc2cccc3c2scn3 661d89afacd698907b0673eb71d6a3f5 [0,2,0,0,0,0|2,0,0]=4 3136 B19R3.1880766 CCC1(CC1)COCc2cccc3c2scc3 d703d73b446ef19f4edd0ac7d74155e2 [0,2,0,0,0,0|1,0,0]=3 3137 B19R3.1880766 CCC1(CC1)COCc2cccc3c2scn3 ebe5dc7cf62ffe5f3d6a959022e75a78 [0,2,0,0,0,0|2,0,0]=4 3138 B19R3.1880766 COC1(CC1)COCc2cccc3c2scc3 4a3dc6394be9a53381e9e5d8dc31d5de [0,2,0,0,0,0|1,0,0]=3 3139 B19R3.1880766 COC1(CC1)COCc2cccc3c2scn3 15ddcaf7024d8043edad1feb7e868d99 [0,2,0,0,0,0|2,0,0]=4 3140 B19R3.1880766 FCC1(CC1)COCc2cccc3c2scc3 15cdde58c7bc5019addf480ff4de5b02 [0,2,0,0,0,0|1,0,0]=3 3141 B19R3.1880766 FCC1(CC1)COCc2cccc3c2scn3 5689b73ac1028e66d036bacea8328d76 [0,2,0,0,0,0|2,0,0]=4 3142 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2[nH]cc3 6844cd8c7facc4e9ae5899387b4c4d2b [0,2,0,0,0,0|1,0,0]=3 3143 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2[nH]nc3 88478780e83cca5904f789bcb986f1fc [0,2,0,0,0,0|2,0,0]=4 3144 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2cc[nH]3 db880ef8a72b323daf3f68e69e0e53a0 [0,2,0,0,0,0|2,0,0]=4 3145 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2ccs3 7545cdd611f181b99b97e43e49ac60a0 [0,2,0,0,0,0|2,0,0]=4 3146 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2nco3 6c2bc4958306b4fe19df4f1e0638cd2c [0,2,0,0,0,0|2,0,0]=4 3147 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2ncs3 aa10f609ee63be36dbac3374f35fef32 [0,2,0,0,0,0|2,0,0]=4 3148 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2occ3 ddabd15895225e6aa6079df1032ac930 [0,2,0,0,0,0|0,1,0]=3 3149 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2ocn3 5fea12bdb7985fda2c394603393f9abc [0,2,0,0,0,0|1,1,0]=4 3150 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2scc3 049a4e5056f94438b46bc6eefa473a3a [0,2,0,0,0,0|0,0,0]=2 3151 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2scn3 fd9798e1795f43de9883e4b3c3859d01 [0,2,0,0,0,0|1,0,0]=3 3152 B19R3.1880766 N#CC1(CC1)CNCc2cccc3n2ncc3 b299d2dafb6069db785c97fa851d0cd8 [0,2,0,0,0,0|2,0,0]=4 3153 B19R3.1880766 N#CC1(CC1)CNCc2cccn3c2ncc3 50f6efc69d98042d919ee4f5e2fb25e9 [0,2,0,0,0,0|2,0,0]=4 3154 B19R3.1880766 N#CC1(CC1)COCc2cccc3c2[nH]cc3 52408d5db02b1bc8a8db7ee836831de8 [0,2,0,0,0,0|2,0,0]=4 3155 B19R3.1880766 N#CC1(CC1)COCc2cccc3c2occ3 b48beadbf1f47ae75b2d9187b7eea9b2 [0,2,0,0,0,0|1,1,0]=4 3156 B19R3.1880766 N#CC1(CC1)COCc2cccc3c2scc3 fcb0ed04e0cca4071f59ddbed884c9ff [0,2,0,0,0,0|1,0,0]=3 3157 B19R3.1880766 N#CC1(CC1)COCc2cccc3c2scn3 cac499a5dded9bda404a12ba01157ef4 [0,2,0,0,0,0|2,0,0]=4 3158 B19R3.1880766 O=CC1(CC1)COCc2cccc3c2scc3 6982e4fe8bf348729afdcf10d919a226 [0,2,0,0,0,0|1,0,0]=3 3159 B19R3.1880766 O=CC1(CC1)COCc2cccc3c2scn3 e063f9eee01da1ac3b12c34affaec449 [0,2,0,0,0,0|2,0,0]=4 3160 B19R3.1880766 OCC1(CC1)CCNc2cccc3c2scc3 d281bc74d0840d3d70cc9c2f004fed43 [0,2,0,0,0,0|2,0,0]=4 3161 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2[nH]nc3 a7079b4458412741e5c8a725b847f781 [0,2,0,0,0,0|2,0,0]=4 3162 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2ccs3 7371ddbc283ef71dca1f06931722596e [0,2,0,0,0,0|2,0,0]=4 3163 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2nco3 0299234d32cf6b112801d2929e0f8ca5 [0,2,0,0,0,0|2,0,0]=4 3164 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2ncs3 f13f3db59b93afb093471e188a13a54f [0,2,0,0,0,0|2,0,0]=4 3165 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2ocn3 b23c2d14c82f31d78a5aafc2a04560ba [0,2,0,0,0,0|1,1,0]=4 3166 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2scc3 0d7d3c48744092ffadb1c0cf7087d59d [0,2,0,0,0,0|0,0,0]=2 3167 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2scn3 0cc6e23a11dff82095ad91774a53421f [0,2,0,0,0,0|1,0,0]=3 3168 B19R3.1880766 OCC1(CC1)CNCc2cccc3n2ncc3 71efc89187d93dbe7bae3e587dfe69e0 [0,2,0,0,0,0|2,0,0]=4 3169 B19R3.4094801 CC(NCC1(CC1)C)c2cccc3c2[nH]cc3 87d641cfa116bd4b266ac90942772eb7 [0,2,0,0,0,0|1,0,0]=3 3170 B19R3.4094801 CC(NCC1(CC1)F)c2cccc3c2[nH]cc3 67acef6e2238f7851066d6ed6ef98012 [0,2,0,0,0,0|1,0,0]=3 3171 B19R3.4094801 CC(OCC1(CC1)C)c2cccc3c2CC=C3 6edcabb5db96b9e5cf3aabd3a6f0e0a9 [0,2,0,0,0,0|2,0,0]=4 3172 B19R3.4094801 CC(OCC1(CC1)F)c2cccc3c2CC=C3 1676a2d7c3a0de3f4436618c15a55bbb [0,2,0,0,0,0|2,0,0]=4 3173 B19R3.4094801 O=C(NCC1(CC1)F)c2cccc3c2occ3 7fd52e1dc843fd887f4359dbaae9fe85 [0,2,0,0,0,0|0,1,1]=4 3174 B19R3.4094801 O=C(NCC1(CC1)F)c2cccc3c2scc3 2acebc289cb713d18ae614e60b2e3fc0 [0,2,0,0,0,0|0,0,1]=3 3175 B19R3.4094801 O=C(NCC1(CC1)F)c2cccc3c2scn3 b1fed4b93b067cfa0df4f983f905a67e [0,2,0,0,0,0|1,0,1]=4 3176 B19R3.4094801 O=C(NCC1(CC1)F)c2cccc3c2snc3 1e6218f99ea10309ec173c97d43c8f4b [0,2,0,0,0,0|1,0,1]=4 3177 B19R3.4094801 O=C(NCC1(CC1)F)c2ccnc3c2scc3 6618138f594832abc75d29bbefcbc4e9 [0,2,0,0,0,0|1,0,1]=4 3178 B19R3.4094801 O=C(NCC1(CC1)F)c2nccc3c2scc3 a1c6931993a3e99a3e146ed7d23c552e [0,2,0,0,0,0|1,0,1]=4 3179 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2occ3 2485990279acf821df4ee9cf01903b1c [0,2,0,0,0,0|0,1,1]=4 3180 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scc3 20d661aa5086c9cad1d9a8434a5e97a0 [0,2,0,0,0,0|0,0,1]=3 3181 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scn3 e6ea36a85634bccbfa6f683849ac4d97 [0,2,0,0,0,0|1,0,1]=4 3182 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2snc3 85249b2b6130bc11e7cbcc08bd523b18 [0,2,0,0,0,0|1,0,1]=4 3183 B19R3.4094801 O=C(NCC1(CC1)O)c2ccnc3c2scc3 24d638089e08c4e5147222a092c7bc3a [0,2,0,0,0,0|1,0,1]=4 3184 B19R3.4094801 O=C(NCC1(CC1)O)c2nccc3c2scc3 5fb31609b26dc2205767662f8723bdb6 [0,2,0,0,0,0|1,0,1]=4 3185 B19R3.10827429 CC(NCc1cccc2c1[nH]nc2)C3(CC3)O d0cca04c1a62b0df1db3349c915766ed [0,2,0,0,0,0|2,0,0]=4 3186 B19R3.10827429 CC(NCc1cccc2c1ccs2)C3(CC3)O 1514610dcc7ff913f0dbf69e503bb21c [0,2,0,0,0,0|2,0,0]=4 3187 B19R3.10827429 CC(NCc1cccc2c1nco2)C3(CC3)O db77f6a2aaee632bcdc3975f40d79984 [0,2,0,0,0,0|2,0,0]=4 3188 B19R3.10827429 CC(NCc1cccc2c1ncs2)C3(CC3)O d341e4ec4a30db384989d26fa70ddf3b [0,2,0,0,0,0|2,0,0]=4 3189 B19R3.10827429 CC(NCc1cccc2c1ocn2)C3(CC3)O ffcdc2442f0c04f25f9c927578d0f8ff [0,2,0,0,0,0|1,1,0]=4 3190 B19R3.10827429 CC(NCc1cccc2c1scc2)C3(CC3)O fa5278b1cedc81e4a2174a51bcefe636 [0,2,0,0,0,0|0,0,0]=2 3191 B19R3.10827429 CC(NCc1cccc2c1scn2)C3(CC3)O a71395684250714d14cbb4131008cc06 [0,2,0,0,0,0|1,0,0]=3 3192 B19R3.10827429 CC(NCc1cccc2n1ncc2)C3(CC3)O 946c99fa4a0d8ce708fe7aa247b194ec [0,2,0,0,0,0|2,0,0]=4 3193 B19R3.10827429 CC(OCc1cccc2c1scc2)C3(CC3)C a247738e019dbde075876ad48c6b66e9 [0,2,0,0,0,0|1,0,0]=3 3194 B19R3.10827429 CC(OCc1cccc2c1scn2)C3(CC3)C 744863777f5d8fcf0d42ff8630bb3805 [0,2,0,0,0,0|2,0,0]=4 3195 B19R3.10827429 C[C@H](NCc1cccc2c1[nH]nc2)C3(CC3)O e31fa57eb32594a50a3be86c182100d7 [0,2,0,0,0,0|2,0,0]=4 3196 B19R3.10827429 C[C@H](NCc1cccc2c1ccs2)C3(CC3)O 6027352a017929146550db6364d8ef72 [0,2,0,0,0,0|2,0,0]=4 3197 B19R3.10827429 C[C@H](NCc1cccc2c1nco2)C3(CC3)O b1b3f6df2a7e3eb312fd7c592148d2f7 [0,2,0,0,0,0|2,0,0]=4 3198 B19R3.10827429 C[C@H](NCc1cccc2c1ncs2)C3(CC3)O 26830e0aa7e23fc125f41602f6560b38 [0,2,0,0,0,0|2,0,0]=4 3199 B19R3.10827429 C[C@H](NCc1cccc2c1ocn2)C3(CC3)O 704d6bba17d38ae5a4669e292f7ade6f [0,2,0,0,0,0|1,1,0]=4 3200 B19R3.10827429 C[C@H](NCc1cccc2c1scc2)C3(CC3)O 5648b24e5dc50e8a5ca5a90f76272b6b [0,2,0,0,0,0|0,0,0]=2 3201 B19R3.10827429 C[C@H](NCc1cccc2c1scn2)C3(CC3)O c032cac2473e53cc262bd74d48811126 [0,2,0,0,0,0|1,0,0]=3 3202 B19R3.10827429 C[C@H](NCc1cccc2n1ncc2)C3(CC3)O 45c9d8152eb60908157ded8d74cc047d [0,2,0,0,0,0|2,0,0]=4 3203 B19R3.23114476 Cn1ccc2c1c(ccc2)CNCC3(CC3)C 88b0ea059aeb50f9ec3c744bb26d3971 [0,2,0,0,0,0|1,0,0]=3 3204 B19R3.23114476 Cn1ccc2c1c(ccc2)CNCC3(CC3)F 256f01234d3cd1a74f80cc1530709984 [0,2,0,0,0,0|1,0,0]=3 3205 B19R3.23114476 Cn1ccc2c1c(ccc2)COCC3(CC3)C ab27608767ef7b93b6eda845d16ed997 [0,2,0,0,0,0|2,0,0]=4 3206 B19R3.23114476 Cn1ccc2c1c(ccc2)COCC3(CC3)F 5136601b3d4f74a18fa7a594836694ec [0,2,0,0,0,0|2,0,0]=4 3207 B19R3.23114476 Cn1ncc2c1c(ccc2)CNCC3(CC3)F 862f3e08775a820cdc9b50093b77c418 [0,2,0,0,0,0|2,0,0]=4 3208 B19R3.23114476 Cn1ncc2c1c(ccc2)CNCC3(CC3)O da3616071dab87dbdd5109e114e956e1 [0,2,0,0,0,0|2,0,0]=4 3209 B19R3.425086 O=C(NCC1CC1)c2ccc(c3c2occ3)F 0db3c5e4023f832991904047cddc0335 [0,2,0,0,0,0|0,1,1]=4 3210 B19R3.425086 O=C(NCC1CC1)c2ccc(c3c2scc3)F 4bc5e9b8ffa115619736b143ee696901 [0,2,0,0,0,0|0,0,1]=3 3211 B19R3.425106 OC(CNc1ccc(c2c1scc2)F)C3CC3 ff30c19570073b91cea64f2dd3508e80 [0,2,0,0,0,0|2,0,0]=4 3212 B19R3.6535366 C[C@@H](NC(=O)c1cccc2c1occ2)C3CC3 cc7061eabdddbe1c088840716c16b172 [0,2,0,0,0,0|0,1,1]=4 3213 B19R3.6535366 C[C@@H](NC(=O)c1cccc2c1scc2)C3CC3 b302ad99766dd2eda74d2d2731a95c98 [0,2,0,0,0,0|0,0,1]=3 3214 B19R3.6535366 C[C@@H](NC(=O)c1cccc2c1scn2)C3CC3 fdc3371a971903fba7b89181bee270d2 [0,2,0,0,0,0|1,0,1]=4 3215 B19R3.6535366 C[C@@H](NC(=O)c1cccc2c1snc2)C3CC3 8210a871387a4e2c2566eff473c8927b [0,2,0,0,0,0|1,0,1]=4 3216 B19R3.6535366 C[C@@H](NC(=O)c1ccnc2c1scc2)C3CC3 9f84f651d224ab88fdae229ff5c16d09 [0,2,0,0,0,0|1,0,1]=4 3217 B19R3.6535366 C[C@@H](NC(=O)c1nccc2c1scc2)C3CC3 dbb4340c81091cf5c1394fbce35ab83a [0,2,0,0,0,0|1,0,1]=4 3218 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1occ2)C3CC3 b68249063f599b2c24858890f322b1de [0,2,0,0,0,0|0,1,1]=4 3219 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1scc2)C3CC3 251859e4807c2ed114803346a438e1c2 [0,2,0,0,0,0|0,0,1]=3 3220 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1scn2)C3CC3 5cbe0844a9b36050a7c019d158d3599a [0,2,0,0,0,0|1,0,1]=4 3221 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1snc2)C3CC3 881f3f1cdbb956eeb65a19a4a1c92131 [0,2,0,0,0,0|1,0,1]=4 3222 B19R3.6535366 C[C@H](NC(=O)c1ccnc2c1scc2)C3CC3 7602a2732a343697ba59b2e834b127ec [0,2,0,0,0,0|1,0,1]=4 3223 B19R3.6535366 C[C@H](NC(=O)c1nccc2c1scc2)C3CC3 7bbb852ba71b96f7b8c67c04b3d98b71 [0,2,0,0,0,0|1,0,1]=4 3224 B19R3.7684149 Cn1ccc2c1c(ccc2)C(=O)NCC3CC3 eade498bb8d3dd26d61a6c6edb6ddc96 [0,2,0,0,0,0|1,0,1]=4 3225 B19R3.755719 C#CC(NCc1cccc2c1[nH]nc2)C3CC3 07ab548a4e2298ca3646ac79509d76ea [0,2,0,0,0,0|2,0,0]=4 3226 B19R3.755719 C#CC(NCc1cccc2c1ccs2)C3CC3 0c6c6ca0638f0bf63617c76af600a650 [0,2,0,0,0,0|2,0,0]=4 3227 B19R3.755719 C#CC(NCc1cccc2c1nco2)C3CC3 95771b25fa6a4e9dbd56e5fbc5463c83 [0,2,0,0,0,0|2,0,0]=4 3228 B19R3.755719 C#CC(NCc1cccc2c1ncs2)C3CC3 f5eb714007e7491b89d17e2265532338 [0,2,0,0,0,0|2,0,0]=4 3229 B19R3.755719 C#CC(NCc1cccc2c1ocn2)C3CC3 1a844eb0c6c4ae8b0254bfebfc43b973 [0,2,0,0,0,0|1,1,0]=4 3230 B19R3.755719 C#CC(NCc1cccc2c1scc2)C3CC3 fbbad3ae4a53608604a1ea8549280372 [0,2,0,0,0,0|0,0,0]=2 3231 B19R3.755719 C#CC(NCc1cccc2c1scn2)C3CC3 d716b89cca55bac31b1ab523187aac2f [0,2,0,0,0,0|1,0,0]=3 3232 B19R3.755719 C#CC(NCc1cccc2n1ncc2)C3CC3 17367aea9f163e85da4b9d9b577f1acd [0,2,0,0,0,0|2,0,0]=4 3233 B19R3.755719 CCC(NCc1cccc2c1ccs2)C3CC3 af99bbef621cf66dcec430e59a8bcf15 [0,2,0,0,0,0|2,0,0]=4 3234 B19R3.755719 CCC(NCc1cccc2c1nco2)C3CC3 c7b75bdc20bafdf7a310ac7071666209 [0,2,0,0,0,0|2,0,0]=4 3235 B19R3.755719 CCC(NCc1cccc2c1ncs2)C3CC3 52448b5e8467582a26dcd064ca16edb7 [0,2,0,0,0,0|2,0,0]=4 3236 B19R3.755719 CCC(NCc1cccc2c1ocn2)C3CC3 aab2173b701ce91366006c61c3bd2841 [0,2,0,0,0,0|1,1,0]=4 3237 B19R3.755719 CCC(NCc1cccc2c1scc2)C3CC3 9cb8bb57b2c93b24c76f8ce7c9dff130 [0,2,0,0,0,0|0,0,0]=2 3238 B19R3.755719 CCC(NCc1cccc2n1ncc2)C3CC3 b2f9690ab12de47d41f54a3810ea5f10 [0,2,0,0,0,0|2,0,0]=4 3239 B19R3.755719 CCC(OCc1cccc2c1scc2)C3CC3 90d07db8c9c33fa98028c50b94509d9a [0,2,0,0,0,0|1,0,0]=3 3240 B19R3.755719 N#CC(NCc1cccc2c1[nH]cc2)C3CC3 7804f4186b786112a1870ccde04049a3 [0,2,0,0,0,0|1,0,0]=3 3241 B19R3.755719 N#CC(NCc1cccc2c1[nH]nc2)C3CC3 a6c390697cf7f4244d7f31f50b16a4d2 [0,2,0,0,0,0|2,0,0]=4 3242 B19R3.755719 N#CC(NCc1cccc2c1cc[nH]2)C3CC3 329715b5ec00ff383c0c5f94e886fb7a [0,2,0,0,0,0|2,0,0]=4 3243 B19R3.755719 N#CC(NCc1cccc2c1scc2)C3CC3 a3a839ea9d8d6633a0df99f795b06c2c [0,2,0,0,0,0|0,0,0]=2 3244 B19R3.755719 N#CC(NCc1cccc2n1ncc2)C3CC3 5b4a177373167f277a9a67f41004abc7 [0,2,0,0,0,0|2,0,0]=4 3245 B19R3.755719 N#CC(NCc1cccn2c1ncc2)C3CC3 6372b4c8abadb84f62c173fba893ae3a [0,2,0,0,0,0|2,0,0]=4 3246 B19R3.755719 N#CC(OCc1cccc2c1scc2)C3CC3 9d4a63a2470c56df7c3d2a7a5511d0af [0,2,0,0,0,0|1,0,0]=3 3247 B19R3.755719 OCC(NCc1cccc2c1ccs2)C3CC3 51df93c1d4e689ddb115fe40ebb9b33d [0,2,0,0,0,0|2,0,0]=4 3248 B19R3.755719 OCC(NCc1cccc2c1nco2)C3CC3 521e14880e0cc8de2d0a1bc09d102555 [0,2,0,0,0,0|2,0,0]=4 3249 B19R3.755719 OCC(NCc1cccc2c1ncs2)C3CC3 0b554e903010caff97aa1f216bb69c6e [0,2,0,0,0,0|2,0,0]=4 3250 B19R3.755719 OCC(NCc1cccc2c1ocn2)C3CC3 2fd25e6610b3bd3cc8e17ff4221ad4ec [0,2,0,0,0,0|1,1,0]=4 3251 B19R3.755719 OCC(NCc1cccc2c1scc2)C3CC3 787593ceb762782f7600009b811b059b [0,2,0,0,0,0|0,0,0]=2 3252 B19R3.755719 OCC(NCc1cccc2n1ncc2)C3CC3 3adaf7257e08c83a36becd0baa285184 [0,2,0,0,0,0|2,0,0]=4 3253 B19R3.755719 OC[C@@H](NCc1cccc2c1ccs2)C3CC3 8102acd7864efa8df69cb456b7032ecf [0,2,0,0,0,0|2,0,0]=4 3254 B19R3.755719 OC[C@@H](NCc1cccc2c1nco2)C3CC3 175dc1ff06eb82a5159be14cdb2b47dd [0,2,0,0,0,0|2,0,0]=4 3255 B19R3.755719 OC[C@@H](NCc1cccc2c1ncs2)C3CC3 260a287a607d1767e782bb84224dd039 [0,2,0,0,0,0|2,0,0]=4 3256 B19R3.755719 OC[C@@H](NCc1cccc2c1ocn2)C3CC3 fc628d03241b29cacd8c7588ce3068de [0,2,0,0,0,0|1,1,0]=4 3257 B19R3.755719 OC[C@@H](NCc1cccc2c1scc2)C3CC3 1800d2a6033dcca5f5730b30e52b997a [0,2,0,0,0,0|0,0,0]=2 3258 B19R3.755719 OC[C@@H](NCc1cccc2n1ncc2)C3CC3 24a902ef0e650dc95da14f09fb3b7606 [0,2,0,0,0,0|2,0,0]=4 3259 B19R3.755719 OC[C@H](NCc1cccc2c1ccs2)C3CC3 f1719a11ea7edb139fd3b00a0c0a904c [0,2,0,0,0,0|2,0,0]=4 3260 B19R3.755719 OC[C@H](NCc1cccc2c1nco2)C3CC3 f0d537720f59f853c8ce0c1e15fce92a [0,2,0,0,0,0|2,0,0]=4 3261 B19R3.755719 OC[C@H](NCc1cccc2c1ncs2)C3CC3 00304000bc1e8c725e22ac7a69764e97 [0,2,0,0,0,0|2,0,0]=4 3262 B19R3.755719 OC[C@H](NCc1cccc2c1ocn2)C3CC3 8fb1b35af5a4da20daca438b85572bc9 [0,2,0,0,0,0|1,1,0]=4 3263 B19R3.755719 OC[C@H](NCc1cccc2c1scc2)C3CC3 69106b27b9c18535139021a5c6f26530 [0,2,0,0,0,0|0,0,0]=2 3264 B19R3.755719 OC[C@H](NCc1cccc2n1ncc2)C3CC3 2cdb38dae950974ea2b001c75d0558b2 [0,2,0,0,0,0|2,0,0]=4 3265 B19R3.7684163 CC(NCc1cccc2c1n(cc2)C)C3CC3 b259171d9f027620cb77d9b44988e279 [0,2,0,0,0,0|1,0,0]=3 3266 B19R3.7684163 CC(OCc1cccc2c1n(cc2)C)C3CC3 81fd3775075f27f9cfa72267d9ace6b5 [0,2,0,0,0,0|2,0,0]=4 3267 B19R3.7684163 C[C@@H](NCc1cccc2c1n(nc2)C)C3CC3 289765613d433ff3fa4a4e70e6817075 [0,2,0,0,0,0|2,0,0]=4 3268 B19R3.7684163 C[C@H](NCc1cccc2c1n(nc2)C)C3CC3 3a31ff69020ea4876e8ff743d5b65dcd [0,2,0,0,0,0|2,0,0]=4 3269 B15R1.70 CC(C)CNCc1cccc(c1F)C=O 4e936ba84cc019205efb16f3a4d50f0a [0,0,2,0,0,0|2,0,0]=4 3270 B15R1.238 CCCCNCc1cccc(c1F)C=O 74291f5fe9ce12d5499348b33abdaae4 [0,0,2,0,0,0|2,0,0]=4 3271 B17R3.1904 c1ccc(c(c1)CC2CC2)c3ccsc3 6a811899e233771d50ff771c21bb5833 [0,0,1,1,0,0|1,0,1]=4 3272 B17R3.21025 c1cc(n(n1)CC2CC2)Nc3ccsc3 6bae90e69cfd57d314c91b02c80c2ee5 [0,0,1,1,0,0|2,0,0]=4 3273 B17R3.1910 C1=CCN(C1)Cc2cccc3c2scc3 95ac489c8193f1c1a56ef41d63bda1e5 [0,0,1,1,0,0|0,0,2]=4 3274 B17R3.1910 c1cc(c2sccc2c1)CN3CCSC3 fc8f7c6422191959ac89315f3fa33531 [0,0,1,1,0,0|1,0,0]=3 3275 B17R3.1910 c1cc(c2scnc2c1)CN3CCSC3 e36a093ba9e57cebd0c9710b2542b62c [0,0,1,1,0,0|2,0,0]=4 3276 B17R3.4525 C[C@@H]1CC[C@@H]1Nc2cccc3c2scc3 3ac8bcd842e7969c474365540aac6b85 [0,0,1,1,0,0|2,0,0]=4 3277 B17R3.4525 C[C@@H]1CC[C@H]1Nc2cccc3c2scc3 d72bec0196a62b61fbcbfb615a8e99b4 [0,0,1,1,0,0|2,0,0]=4 3278 B17R3.20932 c1cc(c2[nH]ccc2c1)CNC3CCC3 8d722041acb90747c3151e7b09e0a4fc [0,0,1,1,0,0|1,0,0]=3 3279 B17R3.20932 c1cc(c2[nH]ccc2c1)COC3CCC3 f53a6be00b109a6b41806df5dd4b5117 [0,0,1,1,0,0|2,0,0]=4 3280 B17R3.20932 c1cc(c2[nH]ncc2c1)CNC3CCC3 08d669d1f594f950a36091638059591d [0,0,1,1,0,0|2,0,0]=4 3281 B17R3.20932 c1cc(c2cc[nH]c2c1)CNC3CCC3 c029ad8d054b8de12100094ade0f15d1 [0,0,1,1,0,0|2,0,0]=4 3282 B17R3.20932 c1cc(c2ccsc2c1)CNC3CCC3 3cb919f8ec47b29c73efa15d126951f2 [0,0,1,1,0,0|2,0,0]=4 3283 B17R3.20932 c1cc(c2nccn2c1)CNC3CCC3 05d6d9a035adcf79f7873a9a78b884f4 [0,0,1,1,0,0|2,0,0]=4 3284 B17R3.20932 c1cc(c2ncoc2c1)CNC3CCC3 f90a67aafb751fddba0f404140a217e2 [0,0,1,1,0,0|2,0,0]=4 3285 B17R3.20932 c1cc(c2ncsc2c1)CNC3CCC3 69a0ae0124e9c8fa354a2edfb56bd8f5 [0,0,1,1,0,0|2,0,0]=4 3286 B17R3.20932 c1cc(c2occc2c1)CNC3CCC3 c818d42d918e3d6b753d44a38cce01e4 [0,0,1,1,0,0|0,1,0]=3 3287 B17R3.20932 c1cc(c2occc2c1)COC3CCC3 2609980685b1dbbb5c6bfa3653749119 [0,0,1,1,0,0|1,1,0]=4 3288 B17R3.20932 c1cc(c2ocnc2c1)CNC3CCC3 6013c5cbf4765ecdbaadb23fec642016 [0,0,1,1,0,0|1,1,0]=4 3289 B17R3.20932 c1cc(c2sccc2c1)CNC3CCC3 52f7620639fb0022796aa24c7654bcc1 [0,0,1,1,0,0|0,0,0]=2 3290 B17R3.20932 c1cc(c2sccc2c1)CNC3COC3 97917a6b3d5405072699ece18010ce1f [0,0,1,1,0,0|1,0,0]=3 3291 B17R3.20932 c1cc(c2sccc2c1)COC3CCC3 8083f107cabe59aff5b771dce54ac3e4 [0,0,1,1,0,0|1,0,0]=3 3292 B17R3.20932 c1cc(c2sccc2c1)COC3COC3 df7f6557e0c089f29be6d74afa11dcba [0,0,1,1,0,0|2,0,0]=4 3293 B17R3.20932 c1cc(c2sccc2c1)COC3CSC3 42187ba64e109e19990c42418ef65693 [0,0,1,1,0,0|2,0,0]=4 3294 B17R3.20932 c1cc(c2sccc2c1)OCC3CCC3 1a45b6f0a08173e4a4685962f919c2de [0,0,1,1,0,0|2,0,0]=4 3295 B17R3.20932 c1cc(c2scnc2c1)CNC3CCC3 51ab95f24caa2e69adcbd4808fff70a2 [0,0,1,1,0,0|1,0,0]=3 3296 B17R3.20932 c1cc(c2scnc2c1)CNC3COC3 b5cae918360c95afe0aab88a4f3fda49 [0,0,1,1,0,0|2,0,0]=4 3297 B17R3.20932 c1cc(c2scnc2c1)COC3CCC3 dd9e353f62dcabec8f113c5a82e48433 [0,0,1,1,0,0|2,0,0]=4 3298 B17R3.20932 c1cc(n2nccc2c1)CNC3CCC3 75ce74689b9f7032a154275c559bd834 [0,0,1,1,0,0|2,0,0]=4 3299 B17R3.5204 FC1CN(C1)Cc2cccc3c2scc3 e7e9ade19d5730aa96edafbd7efcd27a [0,0,1,1,0,0|1,0,0]=3 3300 B17R3.5204 OC1CN(C1)Cc2cccc3c2scc3 547c80ac75a41f0c56399a7ef249b0ef [0,0,1,1,0,0|1,0,0]=3 3301 B17R3.5204 OC1CN(C1)Cc2cccc3c2scn3 5d4fdfe7e19db182690374ad54bbe72e [0,0,1,1,0,0|2,0,0]=4 3302 B17R3.211766 CC1(CC1Nc2cccc3c2scc3)C 6d1cd12fbe7905ed90f6dbf880315b0a [0,0,1,1,0,0|2,0,0]=4 3303 B17R3.211766 CC1(CN1Cc2cccc3c2[nH]nc3)C 6ad440a04d8d1393f08cc36b954153a9 [0,0,1,1,0,0|2,0,0]=4 3304 B17R3.211766 CC1(CN1Cc2cccc3c2ccs3)C a1af2b6c4d9eac777310b9db7ae2b137 [0,0,1,1,0,0|2,0,0]=4 3305 B17R3.211766 CC1(CN1Cc2cccc3c2nco3)C a25164ab4eee25e7e0a1920c4746561f [0,0,1,1,0,0|2,0,0]=4 3306 B17R3.211766 CC1(CN1Cc2cccc3c2ncs3)C 1b3b69a3743450e14380aaf3b02a9d0b [0,0,1,1,0,0|2,0,0]=4 3307 B17R3.211766 CC1(CN1Cc2cccc3c2ocn3)C d955ac77783e8217a756046b5fa8e4e6 [0,0,1,1,0,0|1,1,0]=4 3308 B17R3.211766 CC1(CN1Cc2cccc3c2scc3)C ac9f1611dc63bace72c48fe9bc77eefe [0,0,1,1,0,0|0,0,0]=2 3309 B17R3.211766 CC1(CN1Cc2cccc3c2scn3)C c4eaa1800b8437acaa90f5858eb4deb0 [0,0,1,1,0,0|1,0,0]=3 3310 B17R3.211766 CC1(CN1Cc2cccc3n2ncc3)C 1f60d585ced78335244faec125b0b07a [0,0,1,1,0,0|2,0,0]=4 3311 B17R3.211766 CC1(C[C@@H]1Nc2cccc3c2scc3)C 4eb1de0a5e52d8fcfc974d3d32c22e5e [0,0,1,1,0,0|2,0,0]=4 3312 B17R3.211766 CC1(C[C@H]1Nc2cccc3c2scc3)C 48f9fa2e42d442c059b837a67a01d450 [0,0,1,1,0,0|2,0,0]=4 3313 B17R3.1902 c1cc(cc(c1)c2cccs2)CC3CC3 979c4c8b4a50344309c86e436304ae8c [0,0,1,1,0,0|1,0,1]=4 3314 B17R3.127909 c1cc2[nH]ncc2cc1CNCC3CC3 4b840ce6b5bcec9ef8f1b58b0cbaf91f [0,0,1,1,0,0|2,0,0]=4 3315 B17R3.127909 c1cc2cc(ccc2[nH]1)CNCC3CC3 2c0c8fb5cc6c6c710a87737bf3363f20 [0,0,1,1,0,0|1,0,0]=3 3316 B17R3.127909 c1cc2cc(ccc2[nH]1)COCC3CC3 343ae23a755c499661e92ba9a87f06b2 [0,0,1,1,0,0|2,0,0]=4 3317 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 c1bc34bcdc0d8c65b618b2d12970489c [0,0,1,1,0,0|0,1,0]=3 3318 B17R3.127909 c1cc2cc(ccc2o1)COCC3CC3 9366057ace1bd79c3a8fc0618e473b69 [0,0,1,1,0,0|1,1,0]=4 3319 B17R3.127909 c1cc2cc(ccc2s1)CCOC3CC3 57cd7c4ee8b55cf1f30e956e704b7f7f [0,0,1,1,0,0|2,0,0]=4 3320 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 01544d0c35c3fac4c370a322de473859 [0,0,1,1,0,0|0,0,0]=2 3321 B17R3.127909 c1cc2cc(ccc2s1)COCC3CC3 f8a093ac736abce7e9bb65fd0f4efbbc [0,0,1,1,0,0|1,0,0]=3 3322 B17R3.127909 c1cc2cc(ccc2s1)NCCC3CC3 a60551ec37bad1364b2a51543934006b [0,0,1,1,0,0|2,0,0]=4 3323 B17R3.127909 c1cc2cc(ccc2s1)OCCC3CC3 1e9de1f8af5fc6c4c181e462e19ff509 [0,0,1,1,0,0|2,0,0]=4 3324 B17R3.127909 c1cc2cc(ccn2n1)CNCC3CC3 e4c735e249e51d45ee5275b2ec9bbfc9 [0,0,1,1,0,0|2,0,0]=4 3325 B17R3.127909 c1cc2cc(cnc2[nH]1)CNCC3CC3 4fe158a6417dcc5102a00a79dbc3eb01 [0,0,1,1,0,0|2,0,0]=4 3326 B17R3.127909 c1cc2ccc(cc2[nH]1)CNCC3CC3 8c20e171aebd15cca63c6a48977ee0b1 [0,0,1,1,0,0|2,0,0]=4 3327 B17R3.127909 c1cc2ccc(cc2o1)CNCC3CC3 453fb28bb1923e350f062c1f361e0a9e [0,0,1,1,0,0|2,0,0]=4 3328 B17R3.127909 c1cc2nscc2cc1CNCC3CC3 3066dcc64d23f4ea19d80d4e3c5e1938 [0,0,1,1,0,0|2,0,0]=4 3329 B17R3.127909 c1cn2cc(ccc2n1)CNCC3CC3 bdcb09bc47453eaee318351837eabdd0 [0,0,1,1,0,0|2,0,0]=4 3330 B17R3.127909 c1nc2cc(ccc2o1)CNCC3CC3 f1441b6f35ee96edc1bcd0bf0b97842b [0,0,1,1,0,0|1,1,0]=4 3331 B17R3.127909 c1nc2cc(ccc2s1)CNCC3CC3 f4d00aa249099d4568a873edba3bcbe4 [0,0,1,1,0,0|1,0,0]=3 3332 B17R3.127909 c1nc2cc(ccc2s1)COCC3CC3 e58c14665a5d4a272d0fe6252072d9d9 [0,0,1,1,0,0|2,0,0]=4 3333 B17R3.127909 c1nc2ccc(cc2[nH]1)CNCC3CC3 5f04dcbcf497ce60a956c98152bb116e [0,0,1,1,0,0|2,0,0]=4 3334 B17R3.127909 c1nc2ccc(cc2o1)CNCC3CC3 6869957df52eaead218ccc1e08c382ad [0,0,1,1,0,0|2,0,0]=4 3335 B17R3.127909 c1nc2ccc(cc2s1)CNCC3CC3 642641832695a39879d9e9bea00ca03e [0,0,1,1,0,0|2,0,0]=4 3336 B17R3.1965 c1ccc2c(c1)SCCC2NCC3CC3 b64ddf86d2f51bfdd802f712850d8994 [0,0,1,1,0,0|0,0,2]=4 3337 B17R3.1965 c1ccc2c(cccc2c1)NCC3CC3 08becf7e6357ffc42ac28df218316a67 [0,0,1,1,0,0|1,0,1]=4 3338 B17R3.1965 c1ccc2c(ccnc2c1)NCC3CC3 394ef2c072221b8a417152b3f509421b [0,0,1,1,0,0|1,0,1]=4 3339 B17R3.4667 Cc1sc2ccccc2c1NCC3CC3 027e368100b308277a34465937068890 [0,0,1,1,0,0|0,0,2]=4 3340 B17R3.4667 O=C1Nc2ccccc2C1NCC3CC3 442fb65f1131637bebe28ca75b4a8f8a [0,0,1,1,0,0|2,0,0]=4 3341 B17R3.1869544 c1ccc2c(c1)CN(CCS2)CC3CC3 4e8175e8078e15261f496ef31a6cb042 [0,0,1,1,0,0|0,0,2]=4 3342 B17R3.1964 c1ccc2c([nH]nc2c1)CNCC3CC3 016f4bd511b0e18f4a8633908e6e727b [0,0,1,1,0,0|2,0,0]=4 3343 B17R3.1964 c1ccc2c(c[nH]c2c1)CNCC3CC3 5d581acb849412c7a8b1b4ab1a57814d [0,0,1,1,0,0|1,0,0]=3 3344 B17R3.1964 c1ccc2c(c[nH]c2c1)COCC3CC3 e60784f76b0f5431851b0fffb4863957 [0,0,1,1,0,0|2,0,0]=4 3345 B17R3.1964 c1ccc2c(coc2c1)CNCC3CC3 8ba030e3ea51c7dd56be5f29c222b0d4 [0,0,1,1,0,0|0,1,0]=3 3346 B17R3.1964 c1ccc2c(coc2c1)COCC3CC3 953f29ad8d58ee7663080a2085c2bd83 [0,0,1,1,0,0|1,1,0]=4 3347 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 d9bdd4b9147f4b7055ac9f36e5a91b71 [0,0,1,1,0,0|0,0,0]=2 3348 B17R3.1964 c1ccc2c(csc2c1)COCC3CC3 843ee4b3ef996eae65cd83b909fde788 [0,0,1,1,0,0|1,0,0]=3 3349 B17R3.1964 c1ccc2c(csc2c1)NCCC3CC3 1bd48cae107bdc85e311f0b234cb010c [0,0,1,1,0,0|2,0,0]=4 3350 B17R3.1964 c1ccc2c(csc2c1)OCCC3CC3 e40714494b08039c5d1c6f133d1f5779 [0,0,1,1,0,0|2,0,0]=4 3351 B17R3.1964 c1ccc2c(noc2c1)CNCC3CC3 c9292cd076d4ea3961eab988ebe3e47f [0,0,1,1,0,0|1,1,0]=4 3352 B17R3.1964 c1ccn2c(cnc2c1)CNCC3CC3 40087da2e84b6ad8564430333ab13981 [0,0,1,1,0,0|2,0,0]=4 3353 B17R3.1964 c1ccn2ncc(c2c1)CNCC3CC3 f273a2524c4d1e824958f449dab00e30 [0,0,1,1,0,0|2,0,0]=4 3354 B17R3.1964 c1cnc2[nH]cc(c2c1)CNCC3CC3 fb5a19fc0b167bc0a7183f56200b76a0 [0,0,1,1,0,0|2,0,0]=4 3355 B17R3.123688 c1ccc2[nH]c(cc2c1)CNCC3CC3 cc973b024b8054f0e76189cb5945b0cb [0,0,1,1,0,0|2,0,0]=4 3356 B17R3.123688 c1ccc2oc(cc2c1)CNCC3CC3 e36aede912633fb8c308567d27b1a3b6 [0,0,1,1,0,0|2,0,0]=4 3357 B17R3.123688 c1ccc2sc(cc2c1)CNCC3CC3 a6be410ef8a8b59d8b0b55e91b1e538c [0,0,1,1,0,0|2,0,0]=4 3358 B17R3.123688 c1ccn2cc(nc2c1)CNCC3CC3 969d83c3e08bb59ad835cc88617a5bf7 [0,0,1,1,0,0|2,0,0]=4 3359 B17R3.123688 c1ccn2nc(cc2c1)CNCC3CC3 f9375c87bd1f65a3e50e0119cad00749 [0,0,1,1,0,0|2,0,0]=4 3360 B19R4.45508 c1cc2c3c(cccc3c1)N(C2)CC4CC4 34938506bf8efd8d8b3506c68cabd003 [0,0,0,1,0,1|1,0,0]=3 3361 B19R4.1388396 c1cc(c2[nH]ncc2c1)CN3CC4CC3C4 218e9e026ec931638fe4eec0a5c04a68 [0,0,0,1,0,1|2,0,0]=4 3362 B19R4.1388396 c1cc(c2ccsc2c1)CN3CC4CC3C4 62cf2390ce504c41d26f53abc93cd840 [0,0,0,1,0,1|2,0,0]=4 3363 B19R4.1388396 c1cc(c2ncoc2c1)CN3CC4CC3C4 34c30b0f0591b50743e70a19bc35128a [0,0,0,1,0,1|2,0,0]=4 3364 B19R4.1388396 c1cc(c2ncsc2c1)CN3CC4CC3C4 8b114d6430209b436d020ba579c91e18 [0,0,0,1,0,1|2,0,0]=4 3365 B19R4.1388396 c1cc(c2ocnc2c1)CN3CC4CC3C4 dc0b2ad23a782cd23e4bee3b708be88a [0,0,0,1,0,1|1,1,0]=4 3366 B19R4.1388396 c1cc(c2sccc2c1)CN3CC4CC3C4 832fe77752ed44dba5a4ccbfa5507857 [0,0,0,1,0,1|0,0,0]=2 3367 B19R4.1388396 c1cc(c2scnc2c1)CN3CC4CC3C4 443edcd9015b4862df44beac06a5d08b [0,0,0,1,0,1|1,0,0]=3 3368 B19R4.1388396 c1cc(n2nccc2c1)CN3CC4CC3C4 dd74f38c46ade477b6526c63bb577860 [0,0,0,1,0,1|2,0,0]=4 3369 B19R4.1388397 c1cc(c2[nH]ncc2c1)CN3CCC4C3C4 f397f15640a8497915732af3c7279dc3 [0,0,0,1,0,1|2,0,0]=4 3370 B19R4.1388397 c1cc(c2ccsc2c1)CN3CCC4C3C4 d854acacce5bbd8fceeaa260f9c8a5f1 [0,0,0,1,0,1|2,0,0]=4 3371 B19R4.1388397 c1cc(c2ncoc2c1)CN3CCC4C3C4 8503c5bfb8a2a80022ea13b08aae0ab4 [0,0,0,1,0,1|2,0,0]=4 3372 B19R4.1388397 c1cc(c2ncsc2c1)CN3CCC4C3C4 5f025a35d1ac74dedace72878b6b5aad [0,0,0,1,0,1|2,0,0]=4 3373 B19R4.1388397 c1cc(c2ocnc2c1)CN3CCC4C3C4 af72fbc9abe9a55ccdbfe15120b26df5 [0,0,0,1,0,1|1,1,0]=4 3374 B19R4.1388397 c1cc(c2sccc2c1)CN3CCC4C3C4 e874d0b6923ee00786e500bdc554cd9c [0,0,0,1,0,1|0,0,0]=2 3375 B19R4.1388397 c1cc(c2scnc2c1)CN3CCC4C3C4 258022fe6394de807ccfc231b81792c5 [0,0,0,1,0,1|1,0,0]=3 3376 B19R4.1388397 c1cc(n2nccc2c1)CN3CCC4C3C4 9cacab4545bd0731ac181223b7d69607 [0,0,0,1,0,1|2,0,0]=4 3377 B19R4.1388400 c1cc(c2[nH]ccc2c1)NCC3CC34CC4 c4d6dd95759f19c059c2afff5c79c2c0 [0,0,0,1,0,1|2,0,0]=4 3378 B19R4.1388400 c1cc(c2[nH]ccc2c1)OCC3CC34CC4 c4e07fd4efbe0cc380b681c82a4f484f [0,0,0,1,0,1|2,0,0]=4 3379 B19R4.1388400 c1cc(c2occc2c1)NCC3CC34CC4 e5cb5cd9a8b25ca404fbf44873d5cbe0 [0,0,0,1,0,1|1,1,0]=4 3380 B19R4.1388400 c1cc(c2occc2c1)OCC3CC34CC4 6b328c7c6f38197f8aed20c970e19b23 [0,0,0,1,0,1|1,1,0]=4 3381 B19R4.1388400 c1cc(c2sccc2c1)OCC3CC34CC4 ecd4c60d087830dacde4862b2d77c44f [0,0,0,1,0,1|1,0,0]=3 3382 B19R4.1388400 c1cc(c2sccc2n1)NCC3CC34CC4 6d89425df71159d6b9df3da32b023ebb [0,0,0,1,0,1|2,0,0]=4 3383 B19R4.1388400 c1cc(c2sccc2n1)OCC3CC34CC4 ae92d950fb5574e7fd63fbf424324d25 [0,0,0,1,0,1|2,0,0]=4 3384 B19R4.1388400 c1cc(c2scnc2c1)NCC3CC34CC4 8284854249a49ad25350ea5c05386b0a [0,0,0,1,0,1|2,0,0]=4 3385 B19R4.1388400 c1cc(c2scnc2c1)OCC3CC34CC4 eb360f8a62960fb29532924a0e1ca396 [0,0,0,1,0,1|2,0,0]=4 3386 B19R4.1388400 c1cc(c2sncc2c1)NCC3CC34CC4 a24dd7d8fc9b15dcbddfd2ac876ac01d [0,0,0,1,0,1|2,0,0]=4 3387 B19R4.1388400 c1cc2ccsc2c(n1)NCC3CC34CC4 912c65f5b364f0c7100d622970a19f0f [0,0,0,1,0,1|2,0,0]=4 3388 B19R4.1388393 c1cc(c2[nH]ncc2c1)CN3CC4CC4C3 0c25d2316a4bdf00a3e896b979d6ed8b [0,1,0,1,0,0|2,0,0]=4 3389 B19R4.1388393 c1cc(c2ccsc2c1)CN3CC4CC4C3 2452558fad7f495d946480fb9ba154c6 [0,1,0,1,0,0|2,0,0]=4 3390 B19R4.1388393 c1cc(c2ncoc2c1)CN3CC4CC4C3 8b3d0b4421068999440beecec8bae196 [0,1,0,1,0,0|2,0,0]=4 3391 B19R4.1388393 c1cc(c2ncsc2c1)CN3CC4CC4C3 63b8c2e4ff11f15c9c680f48fd27b438 [0,1,0,1,0,0|2,0,0]=4 3392 B19R4.1388393 c1cc(c2ocnc2c1)CN3CC4CC4C3 ffe6b35b44dc93ad46c7eba504a1c80b [0,1,0,1,0,0|1,1,0]=4 3393 B19R4.1388393 c1cc(c2sccc2c1)CN3CC4CC4C3 e6be786712e85958459d8fc1eb2baadf [0,1,0,1,0,0|0,0,0]=2 3394 B19R4.1388393 c1cc(c2scnc2c1)CN3CC4CC4C3 c2c623f6a282a5610f66692e59499b8b [0,1,0,1,0,0|1,0,0]=3 3395 B19R4.1388393 c1cc(n2nccc2c1)CN3CC4CC4C3 6e36e10dc32c68bd70517499e09635ee [0,1,0,1,0,0|2,0,0]=4 3396 B19R4.3925437 c1cc(c2[nH]ncc2c1)CN3CC4(C3)CC4 88ec8d665b4d9567a858cbe00b7d2218 [0,1,0,1,0,0|2,0,0]=4 3397 B19R4.3925437 c1cc(c2ccsc2c1)CN3CC4(C3)CC4 3107e8147154a81728a3a8ef04840350 [0,1,0,1,0,0|2,0,0]=4 3398 B19R4.3925437 c1cc(c2ncoc2c1)CN3CC4(C3)CC4 a1d1d3006c6e8ad815e56ed205c0cd8d [0,1,0,1,0,0|2,0,0]=4 3399 B19R4.3925437 c1cc(c2ncsc2c1)CN3CC4(C3)CC4 5bebf8b65db7127a10d3e06ae4016822 [0,1,0,1,0,0|2,0,0]=4 3400 B19R4.3925437 c1cc(c2ocnc2c1)CN3CC4(C3)CC4 7bcfb6033b283d52f53d921ed6f2a45d [0,1,0,1,0,0|1,1,0]=4 3401 B19R4.3925437 c1cc(c2sccc2c1)CN3CC4(C3)CC4 3813bcf0a86788b7101b391114e50798 [0,1,0,1,0,0|0,0,0]=2 3402 B19R4.3925437 c1cc(c2sccc2c1)NC3CC4(C3)CC4 e69dc7425f727be092f5f2387e39812b [0,1,0,1,0,0|2,0,0]=4 3403 B19R4.3925437 c1cc(c2scnc2c1)CN3CC4(C3)CC4 6a880c28f2af7c07950e8c3f9913f291 [0,1,0,1,0,0|1,0,0]=3 3404 B19R4.3925437 c1cc(n2nccc2c1)CN3CC4(C3)CC4 f40e44842e5e23b6d1d25224b31933f9 [0,1,0,1,0,0|2,0,0]=4 3405 B15R2.219 CSc1c(cccc1NCC2CC2)Cl dc0be9a680bb6c48a04488501491e4ed [0,0,1,0,1,0|1,0,1]=4 3406 B15R2.4768 C=Cc1cccc(c1F)NCC2CC2 d35ee56030bf0b935acf4e10caa333e5 [0,0,1,0,1,0|1,0,0]=3 3407 B15R2.4768 O=Cc1cccc(c1F)CNC2CC2 06ffa2b36669e399929fcd0894057894 [0,0,1,0,1,0|2,0,0]=4 3408 B15R2.4768 O=Cc1cccc(c1F)NCC2CC2 e1490c7a1e8529f3c5217b3489590c17 [0,0,1,0,1,0|2,0,0]=4 3409 B15R2.19753 C=C(C)CNc1cccc2c1scc2 b0334c4eee41b659cb6c84c6bbbb8fa5 [0,0,1,0,1,0|0,0,2]=4 3410 B15R2.19753 CC(=O)CNc1cccc2c1scc2 20e349d624fde9e8156c1cfd37628c52 [0,0,1,0,1,0|1,0,1]=4 3411 B15R2.19753 CC(=O)NCc1cccc2c1scc2 4ace42b3cb5d5a704639e8ed990acca2 [0,0,1,0,1,0|1,0,1]=4 3412 B15R2.19753 CC(C)CNc1cccc2c1[nH]cc2 036f971c0ff79f696fd431bff77e1e3b [0,0,1,0,1,0|1,0,0]=3 3413 B15R2.19753 CC(C)CNc1cccc2c1[nH]nc2 3f65a77fea3e1f056c3c1cf3042e5c81 [0,0,1,0,1,0|2,0,0]=4 3414 B15R2.19753 CC(C)CNc1cccc2c1cc[nH]2 edb9aeeea07414921865a1d1d06ffbfe [0,0,1,0,1,0|2,0,0]=4 3415 B15R2.19753 CC(C)CNc1cccc2c1cco2 4d3788bb17172428baa4203c9f94fde6 [0,0,1,0,1,0|2,0,0]=4 3416 B15R2.19753 CC(C)CNc1cccc2c1ccs2 586b0e73435d2e05945d22d3df232e8d [0,0,1,0,1,0|2,0,0]=4 3417 B15R2.19753 CC(C)CNc1cccc2c1nc[nH]2 9cb685191afe1b0adf681dbefb6ccf8e [0,0,1,0,1,0|2,0,0]=4 3418 B15R2.19753 CC(C)CNc1cccc2c1nco2 bcb6b46db0304794e8cf9edc1b2a8011 [0,0,1,0,1,0|2,0,0]=4 3419 B15R2.19753 CC(C)CNc1cccc2c1ncs2 47e9b05b4970f1714129bf6c437ea2fe [0,0,1,0,1,0|2,0,0]=4 3420 B15R2.19753 CC(C)CNc1cccc2c1occ2 65db4640c03f33e733ff5be824a40bb3 [0,0,1,0,1,0|0,1,0]=3 3421 B15R2.19753 CC(C)CNc1cccc2c1ocn2 33017be203c899236fabf67e67eb6692 [0,0,1,0,1,0|1,1,0]=4 3422 B15R2.19753 CC(C)CNc1cccc2c1onc2 bfede5b1481c6b846089baf77395a498 [0,0,1,0,1,0|1,1,0]=4 3423 B15R2.19753 CC(C)CNc1cccc2c1scn2 b701f6b66a1165daf6715c5b6d13ef1c [0,0,1,0,1,0|1,0,0]=3 3424 B15R2.19753 CC(C)CNc1cccc2c1snc2 485355b2ca22fbe20c5a540865cbcbd9 [0,0,1,0,1,0|1,0,0]=3 3425 B15R2.19753 CC(C)CNc1cccc2c1snn2 e4cad095a0600799910a45c1fd531658 [0,0,1,0,1,0|2,0,0]=4 3426 B15R2.19753 CC(C)CNc1cccc2n1ncc2 81b65166e0bc1b2569f01accf873a340 [0,0,1,0,1,0|2,0,0]=4 3427 B15R2.19753 CC(C)CNc1cccn2c1ncc2 3bc44286363748de1ba7afe110e0f6c6 [0,0,1,0,1,0|2,0,0]=4 3428 B15R2.19753 CC(C)CNc1ccnc2c1[nH]cc2 8b4d4b5395a1aa98abe1273a53a0eb80 [0,0,1,0,1,0|2,0,0]=4 3429 B15R2.19753 CC(C)CNc1ccnc2c1occ2 c4417b568f386f4dd79bbef08d201dcb [0,0,1,0,1,0|1,1,0]=4 3430 B15R2.19753 CC(C)CNc1ccnc2c1scc2 49f75e611fe8eea8bc3fa8f8e170546c [0,0,1,0,1,0|1,0,0]=3 3431 B15R2.19753 CC(C)CNc1cncc2c1[nH]cc2 7d1411463c732b86835502039a520f5c [0,0,1,0,1,0|2,0,0]=4 3432 B15R2.19753 CC(C)CNc1nccc2c1[nH]cc2 d3f7aaaa5386752f6879793f700f9ea5 [0,0,1,0,1,0|2,0,0]=4 3433 B15R2.19753 CC(C)CNc1nccc2c1occ2 3b5e4f5a1f4153130b0f63ceb832310c [0,0,1,0,1,0|1,1,0]=4 3434 B15R2.19753 CC(C)CNc1nccc2c1scc2 7c6289bc4a78400103a32b905089fa43 [0,0,1,0,1,0|1,0,0]=3 3435 B15R2.19753 CC(C)CNc1ncnc2c1scc2 c2703c2c1115407e70b962f3452b6cbf [0,0,1,0,1,0|2,0,0]=4 3436 B15R2.19753 CC(C)COc1cccc2c1[nH]cc2 802848136c9a0d705c155d2d2173168d [0,0,1,0,1,0|2,0,0]=4 3437 B15R2.19753 CC(C)COc1cccc2c1occ2 069e8cbaac2b886566748479dbd90bd7 [0,0,1,0,1,0|1,1,0]=4 3438 B15R2.19753 CC(C)COc1cccc2c1scc2 406f81335a8b4d60b17704a716f6ff12 [0,0,1,0,1,0|1,0,0]=3 3439 B15R2.19753 CC(C)COc1cccc2c1scn2 c58ca38cc4ca15746ceb9cf02bcbc3d5 [0,0,1,0,1,0|2,0,0]=4 3440 B15R2.19753 CC(C)COc1ccnc2c1scc2 d48440845e01c609e1612568f108d3e3 [0,0,1,0,1,0|2,0,0]=4 3441 B15R2.19753 CC(C)NCc1cccc2c1[nH]cc2 bdfc1af3c73fae7779c546efea90194c [0,0,1,0,1,0|1,0,0]=3 3442 B15R2.19753 CC(C)NCc1cccc2c1[nH]nc2 020ad11dfc910e106aab14a3b1a25ce1 [0,0,1,0,1,0|2,0,0]=4 3443 B15R2.19753 CC(C)NCc1cccc2c1cc[nH]2 c41fefea891821a87c6b3be3de6cf23f [0,0,1,0,1,0|2,0,0]=4 3444 B15R2.19753 CC(C)NCc1cccc2c1ccs2 9e22dcf532a41ed296c2a9d8ff86ba4b [0,0,1,0,1,0|2,0,0]=4 3445 B15R2.19753 CC(C)NCc1cccc2c1occ2 4a8a838890281eddcdbd679b6f1ae73c [0,0,1,0,1,0|0,1,0]=3 3446 B15R2.19753 CC(C)NCc1cccc2c1scc2 55bf3a36b8ddb17306b5c177262830f6 [0,0,1,0,1,0|0,0,0]=2 3447 B15R2.19753 CC(C)NCc1cccc2c1scn2 8c88bb582c74ce07065d138eeaa91874 [0,0,1,0,1,0|1,0,0]=3 3448 B15R2.19753 CC(C)NCc1cccc2n1ncc2 fcb65b5aa86e20ddceb68ae9940251f3 [0,0,1,0,1,0|2,0,0]=4 3449 B15R2.19753 CC(C)NCc1cccn2c1ncc2 3ac93f51b837b0f8631465e670c7a220 [0,0,1,0,1,0|2,0,0]=4 3450 B15R2.19753 CC(C)OCc1cccc2c1[nH]cc2 b202db344189b64040da818c72855545 [0,0,1,0,1,0|2,0,0]=4 3451 B15R2.19753 CC(C)OCc1cccc2c1occ2 6dffc57d9964b85f421e97a3d2af4516 [0,0,1,0,1,0|1,1,0]=4 3452 B15R2.19753 CC(C)OCc1cccc2c1scc2 1331cfb7fe3bed0c3055002cea96599f [0,0,1,0,1,0|1,0,0]=3 3453 B15R2.19753 CC(C)OCc1cccc2c1scn2 f3d99ef82ed5e83c4e842a0b7e5a68e3 [0,0,1,0,1,0|2,0,0]=4 3454 B15R2.19753 CC(O)CNc1cccc2c1[nH]cc2 44c37b54a0821a40d8b745f9c456887d [0,0,1,0,1,0|2,0,0]=4 3455 B15R2.19753 CC(O)CNc1cccc2c1occ2 0dda8e3b5405bfe2b67891c45b0bbbeb [0,0,1,0,1,0|1,1,0]=4 3456 B15R2.19753 CC(O)CNc1cccc2c1scn2 5689bf15bba50d3fea7ff099be3ca661 [0,0,1,0,1,0|2,0,0]=4 3457 B15R2.19753 CC(O)CNc1cccc2c1snc2 18a19fbccdeaf60e04638ecca46bccd7 [0,0,1,0,1,0|2,0,0]=4 3458 B15R2.19753 CC(O)CNc1ccnc2c1scc2 ca7450294e47d11c9dd4da515cc9e128 [0,0,1,0,1,0|2,0,0]=4 3459 B15R2.19753 CC(O)CNc1nccc2c1scc2 3fbb628a5a16aff2f740fdc80b7d64cb [0,0,1,0,1,0|2,0,0]=4 3460 B15R2.19753 CN(C)CNc1cccc2c1[nH]cc2 c2b3875f2d3ede464cd574a94536d607 [0,0,1,0,1,0|2,0,0]=4 3461 B15R2.19753 CN(C)CNc1cccc2c1scn2 d27300b4d2a1f37e877b91fe0fa3c6f1 [0,0,1,0,1,0|2,0,0]=4 3462 B15R2.19753 CN(C)CNc1cccc2c1snc2 1e393752a9fef99659e90ecb9602844a [0,0,1,0,1,0|2,0,0]=4 3463 B15R2.19753 CN(C)CNc1ccnc2c1scc2 7e8971f6ccfd8b11c1dbff9562ee9222 [0,0,1,0,1,0|2,0,0]=4 3464 B15R2.19753 CN(C)CNc1nccc2c1scc2 77862d783f792dc332adab7dac8c5346 [0,0,1,0,1,0|2,0,0]=4 3465 B15R2.19753 CN(C)COc1cccc2c1scc2 3fd7957b0d398a492395375130aeb92c [0,0,1,0,1,0|2,0,0]=4 3466 B15R2.19753 C[C@@H](O)CNc1cccc2c1scn2 e8ae6d755b9c452864541bc1f75e0c6a [0,0,1,0,1,0|2,0,0]=4 3467 B15R2.19753 C[C@@H](O)CNc1ccnc2c1scc2 ec9b4b9b1d5deaafdb41ac4c7bdbebde [0,0,1,0,1,0|2,0,0]=4 3468 B15R2.19753 C[C@@H](O)CNc1nccc2c1scc2 c85e930fd6d5ccc83f79404f2ff4edeb [0,0,1,0,1,0|2,0,0]=4 3469 B15R2.19753 C[C@H](O)CNc1cccc2c1[nH]cc2 204b679c124530648f64b1a9dd8829d4 [0,0,1,0,1,0|2,0,0]=4 3470 B15R2.19753 C[C@H](O)CNc1cccc2c1occ2 19281f1da81cfe9db1ef36dbd77630cc [0,0,1,0,1,0|1,1,0]=4 3471 B15R2.19753 C[C@H](O)CNc1cccc2c1scn2 b80355be20bfe8cd32ab65f33a0c8944 [0,0,1,0,1,0|2,0,0]=4 3472 B15R2.19753 C[C@H](O)CNc1cccc2c1snc2 e39019cd1f36fc754e6331cbc8add0bb [0,0,1,0,1,0|2,0,0]=4 3473 B15R2.19753 C[C@H](O)CNc1ccnc2c1scc2 c984ad5eb6eab358d9aea86f0ca07f0b [0,0,1,0,1,0|2,0,0]=4 3474 B15R2.19753 C[C@H](O)CNc1nccc2c1scc2 e5a52089e012be1a74d233a1d25df522 [0,0,1,0,1,0|2,0,0]=4 3475 B15R2.16631 C/C=C/c1cccc(c1)NCC2CC2 1cd02cb150f7b26da466f13cf8179217 [0,0,1,0,1,0|1,0,0]=3 3476 B15R2.16631 C=CCc1cccc(c1)NCC2CC2 3af70f3a6d2e5552c9ee1043eacbc6bf [0,0,1,0,1,0|1,0,1]=4 3477 B15R2.16631 O=CCc1cccc(c1)NCC2CC2 6e9d22f0728881b1097017bf5a562da0 [0,0,1,0,1,0|0,1,1]=4 3478 B15R2.10871 C=CCc1ccccc1NCC2CC2 b841a28b6e3a23a9163d155ea80e41a7 [0,0,1,0,1,0|1,0,0]=3 3479 B15R2.10871 C=CCc1ccccc1OCC2CC2 cd36abac6d913c3065747a60472ee139 [0,0,1,0,1,0|2,0,0]=4 3480 B15R2.10871 CCSc1ccccc1NCC2CC2 7211d9feb82effa4fae3c35b0e8fba66 [0,0,1,0,1,0|0,0,2]=4 3481 B15R2.10871 O=CCc1ccccc1NCC2CC2 ab297fe07b7e8455c8bcca22fd36fa6f [0,0,1,0,1,0|2,0,0]=4 3482 B15R2.10871 O=CNc1ccccc1NCC2CC2 b419103bac9668c3dfcec48743aac8b9 [0,0,1,0,1,0|2,0,0]=4 3483 B15R3.3471 c1cc2[nH]nc(c2s1)NCC3CC3 ca9a2ac8ef5970bfc94c194cd2a11ea9 [0,0,0,0,2,0|2,0,0]=4 3484 B15R3.3471 c1cc2scc(c2s1)OCC3CC3 4d24c21342ba982cd9ec5c375b377c4b [0,0,0,0,2,0|2,0,0]=4 3485 B15R3.3471 c1cn2cnc(c2s1)NCC3CC3 4b631653b04e9d86ce05052a3e2f5a13 [0,0,0,0,2,0|2,0,0]=4 3486 B15R3.4382 c1cc(c2[nH]ccc2n1)NC3CC3 70b77e11b96a5c8702e01a593f2993c3 [0,0,0,0,2,0|2,0,0]=4 3487 B15R3.4382 c1cc(c2ccoc2c1)NC3CC3 79f1e2ee98f73e3b2fabe24b8cf64469 [0,0,0,0,2,0|2,0,0]=4 3488 B15R3.4382 c1cc(c2ncoc2c1)NC3CC3 ab59b31a2f4ea64f098e373e58173f88 [0,0,0,0,2,0|2,0,0]=4 3489 B15R3.4382 c1cc(c2sccc2n1)NC3CC3 d244adf6a763645f1d9755ca4826c170 [0,0,0,0,2,0|1,0,0]=3 3490 B15R3.4382 c1cc2cc[nH]c2c(n1)NC3CC3 fc251a7295e9061376f13d671e122718 [0,0,0,0,2,0|2,0,0]=4 3491 B17R2.11665 O=Cc1cccc(c1F)CNCCC2CC2 cbce69d8b8a568c1ed708c68b7b2da79 [0,0,1,0,0,1|2,0,0]=4 3492 B17R2.11683 O=Cc1cccc(c1F)CNCC2CCC2 3b60a6ee0a48afe11f9d4ff252b80f7b [0,0,1,0,0,1|2,0,0]=4 3493 B17R2.11683 O=Cc1cccc(c1F)CNCC2CCO2 747dfa3aa56248e238b405dd70ac7c4d [0,0,1,0,0,1|2,0,0]=4 3494 B17R2.11683 O=Cc1cccc(c1F)CNCC2COC2 fba505abab27476e600702e8ec4d84dd [0,0,1,0,0,1|2,0,0]=4 3495 B17R2.11683 O=Cc1cccc(c1F)CNC[C@@H]2CCO2 cef5642243d98e746f9a838e9a85912a [0,0,1,0,0,1|2,0,0]=4 3496 B17R2.11683 O=Cc1cccc(c1F)CNC[C@H]2CCO2 699629c84d39ca5be9a093ae4aed352d [0,0,1,0,0,1|2,0,0]=4 3497 B17R2.148072 CCCCNCc1cccc2c1cccc2 b25a4b96232ec903cfdb2ea4883fab7f [0,0,1,0,0,1|1,0,0]=3 3498 B17R2.148072 CCCCNCc1cccc2c1cccn2 c1b15d4a2d63b63b5eaf4a358d7f127d [0,0,1,0,0,1|1,0,0]=3 3499 B17R2.148072 CCCCNCc1cccc2c1ccnc2 3a67dea7449372dd7d6de6255d877988 [0,0,1,0,0,1|1,0,0]=3 3500 B17R2.148072 CCCCNCc1cccc2c1cncc2 ad5da7d1c042f0aca40e224f04df27a8 [0,0,1,0,0,1|1,0,0]=3 3501 B17R2.148072 CCCCNCc1cccc2c1nccc2 1180b952c4f034fefafc93d87e18e652 [0,0,1,0,0,1|1,0,0]=3 3502 B17R2.148072 CCCCNCc1cccc2c1nccn2 d1c2598b19fd4fdf8816eab0c8776c71 [0,0,1,0,0,1|1,0,0]=3 3503 B17R2.148072 CCCCNCc1ccnc2c1cccc2 da5905fda31273db703330a020833bbc [0,0,1,0,0,1|2,0,0]=4 3504 B17R2.148072 CCCCNCc1cncc2c1cccc2 a052a05a5ba5b75cba329c5710e6ee02 [0,0,1,0,0,1|2,0,0]=4 3505 B17R2.148072 CCCCNCc1nccc2c1cccc2 37183b94abcabd3f32bcf4a0bc3e5276 [0,0,1,0,0,1|2,0,0]=4 3506 B17R2.148072 CCCCOCc1cccc2c1cccc2 8140bc0ea313e51860aa43b119c8f1af [0,0,1,0,0,1|2,0,0]=4 3507 B17R2.148072 CCCCOCc1cccc2c1cccn2 851d929a0afc52f28196cddfb59ea1ef [0,0,1,0,0,1|2,0,0]=4 3508 B17R2.148072 CCCCOCc1cccc2c1ccnc2 588965ed1a35d8540fc53072f5fb79ae [0,0,1,0,0,1|2,0,0]=4 3509 B17R2.148072 CCCCOCc1cccc2c1cncc2 e3f20a1dd027e2a5ed2572185dfcc498 [0,0,1,0,0,1|2,0,0]=4 3510 B17R2.148072 CCCCOCc1cccc2c1nccc2 776c1666b6d1d1abff1725278775de99 [0,0,1,0,0,1|2,0,0]=4 3511 B17R2.148072 CCCCOCc1cccc2c1nccn2 e757805308b7d02572344e8845d1adae [0,0,1,0,0,1|2,0,0]=4 3512 B17R2.148072 CCOCNCc1cccc2c1cccc2 9a0a4376e599a52d3e3bcbb4b7dd583a [0,0,1,0,0,1|2,0,0]=4 3513 B17R2.148072 CCOCNCc1cccc2c1cccn2 136b0070cbfb4c657151ae6d5d7881bb [0,0,1,0,0,1|2,0,0]=4 3514 B17R2.148072 CCOCNCc1cccc2c1ccnc2 a4223b724ce15ed81fd64f646b4fc5e3 [0,0,1,0,0,1|2,0,0]=4 3515 B17R2.148072 CCOCNCc1cccc2c1cncc2 5bcc7ce0f2188f54a9ad5db86a23c667 [0,0,1,0,0,1|2,0,0]=4 3516 B17R2.148072 CCOCNCc1cccc2c1nccc2 b3d3430b1859dd7d095acd73a7fd72d4 [0,0,1,0,0,1|2,0,0]=4 3517 B17R2.148072 CCOCNCc1cccc2c1nccn2 804e232bbb67bd7eccc61d7ce8396a42 [0,0,1,0,0,1|2,0,0]=4 3518 B17R2.148072 COCCNCc1cccc2c1cccc2 11a86e0df7966fa0c64a647050fab562 [0,0,1,0,0,1|2,0,0]=4 3519 B17R2.148072 COCCNCc1cccc2c1cccn2 668de83122ac456cac7dbee76d59bfd6 [0,0,1,0,0,1|2,0,0]=4 3520 B17R2.148072 COCCNCc1cccc2c1ccnc2 319ac2c6219894fe3db24a4c244af719 [0,0,1,0,0,1|2,0,0]=4 3521 B17R2.148072 COCCNCc1cccc2c1cncc2 829d9c6b01da7702eca5e7d0e60a88c1 [0,0,1,0,0,1|2,0,0]=4 3522 B17R2.148072 COCCNCc1cccc2c1nccc2 dd40aed9a51486b251b61204410207fd [0,0,1,0,0,1|2,0,0]=4 3523 B17R2.148072 COCCNCc1cccc2c1nccn2 2fb23a282279b5bccd383680828de338 [0,0,1,0,0,1|2,0,0]=4 3524 B17R2.148072 CSCCNCc1cccc2c1cccc2 67b2cb20a5113d60e0c2cfaee261d042 [0,0,1,0,0,1|2,0,0]=4 3525 B17R2.148072 CSCCNCc1cccc2c1cccn2 472a75715a25934a5b71b43815604038 [0,0,1,0,0,1|2,0,0]=4 3526 B17R2.148072 CSCCNCc1cccc2c1ccnc2 af39e960ad65b64ced960819ee21855e [0,0,1,0,0,1|2,0,0]=4 3527 B17R2.148072 CSCCNCc1cccc2c1cncc2 9cd27c0db7b24c496d87b07c37ab6928 [0,0,1,0,0,1|2,0,0]=4 3528 B17R2.148072 CSCCNCc1cccc2c1nccc2 4beb7d6de0f4b732f721c5fb9d912af7 [0,0,1,0,0,1|2,0,0]=4 3529 B17R2.148072 CSCCNCc1cccc2c1nccn2 8edad2fb7dc56160655add0dcb843a0b [0,0,1,0,0,1|2,0,0]=4 3530 B17R2.148072 ClCCCNCc1cccc2c1cccc2 93a2af693f61ce22d5326dd24a6651aa [0,0,1,0,0,1|2,0,0]=4 3531 B17R2.148072 ClCCCNCc1cccc2c1cccn2 29844b8648474aea203e83a527bcf9fe [0,0,1,0,0,1|2,0,0]=4 3532 B17R2.148072 ClCCCNCc1cccc2c1cncc2 fd01212280b264b93c671e30194c3fa2 [0,0,1,0,0,1|2,0,0]=4 3533 B17R2.148072 ClCCCNCc1cccc2c1nccc2 cc4657b79f3c57d21c6281ce710f35b8 [0,0,1,0,0,1|2,0,0]=4 3534 B17R2.148072 ClCCCNCc1cccc2c1nccn2 0f31e3d4cad19bfd3bf1f42f67aca644 [0,0,1,0,0,1|2,0,0]=4 3535 B17R2.148072 FCCCNCc1cccc2c1cccc2 96892efd7733c24955f8daaeecd4d76f [0,0,1,0,0,1|2,0,0]=4 3536 B17R2.148072 FCCCNCc1cccc2c1cccn2 c91dd82913f941a3decc695b6bfe8993 [0,0,1,0,0,1|2,0,0]=4 3537 B17R2.148072 FCCCNCc1cccc2c1ccnc2 cff763590de755682dd51cda6b29226b [0,0,1,0,0,1|2,0,0]=4 3538 B17R2.148072 FCCCNCc1cccc2c1cncc2 5498287417e5cbecad280d994fe1d57c [0,0,1,0,0,1|2,0,0]=4 3539 B17R2.148072 FCCCNCc1cccc2c1nccc2 95777867599c335fb7e755a357a2ad4b [0,0,1,0,0,1|2,0,0]=4 3540 B17R2.148072 FCCCNCc1cccc2c1nccn2 cd51ee7f3603afac64f0465b340a13bf [0,0,1,0,0,1|2,0,0]=4 3541 B17R2.148072 OCCCNCc1cccc2c1cccc2 2a7200da29df70dc9982f9675902713e [0,0,1,0,0,1|2,0,0]=4 3542 B17R2.148072 OCCCNCc1cccc2c1cccn2 06586f6ff4a7fe4338d6684d3694d028 [0,0,1,0,0,1|2,0,0]=4 3543 B17R2.148072 OCCCNCc1cccc2c1ccnc2 6aeee17100944193ea0acfbbc72a5cdd [0,0,1,0,0,1|2,0,0]=4 3544 B17R2.148072 OCCCNCc1cccc2c1cncc2 485d7a1690cc4cb1d61186db028d93b4 [0,0,1,0,0,1|2,0,0]=4 3545 B17R2.148072 OCCCNCc1cccc2c1nccc2 31a90ba8b24dbaa4f7b868760267ecdb [0,0,1,0,0,1|2,0,0]=4 3546 B17R2.148072 OCCCNCc1cccc2c1nccn2 d73d0c33edf4bb1c5934169f6a952d50 [0,0,1,0,0,1|2,0,0]=4 3547 B17R2.148072 SCCCNCc1cccc2c1cccc2 016d795765f734f7bcc10dc3b87bf96d [0,0,1,0,0,1|2,0,0]=4 3548 B17R2.148072 SCCCNCc1cccc2c1cccn2 7d565c49b85458d512a43d5007002f16 [0,0,1,0,0,1|2,0,0]=4 3549 B17R2.148072 SCCCNCc1cccc2c1ccnc2 786db54fcad82d250b6e80d8ca9d9f0d [0,0,1,0,0,1|2,0,0]=4 3550 B17R2.148072 SCCCNCc1cccc2c1cncc2 1c722f6aa1786860e098a7bca902324b [0,0,1,0,0,1|2,0,0]=4 3551 B17R2.148072 SCCCNCc1cccc2c1nccc2 0ae00ac49aeffce7d8749b796d6599c2 [0,0,1,0,0,1|2,0,0]=4 3552 B17R2.148072 SCCCNCc1cccc2c1nccn2 e7abd476825cd2b3f3489b525bd3dc80 [0,0,1,0,0,1|2,0,0]=4 3553 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 badc516a0794d2b66123349287c445a6 [0,0,1,0,0,1|1,0,0]=3 3554 B17R2.291558 CC(C)CNCc1cccc2c1cccn2 4a0c8bb37cd2cc9efab227f9264f651c [0,0,1,0,0,1|1,0,0]=3 3555 B17R2.291558 CC(C)CNCc1cccc2c1ccnc2 a04b4dd302439cae4fe61ffad312e1b9 [0,0,1,0,0,1|1,0,0]=3 3556 B17R2.291558 CC(C)CNCc1cccc2c1cncc2 4a58bb00cb055820cd0300699ca4192b [0,0,1,0,0,1|1,0,0]=3 3557 B17R2.291558 CC(C)CNCc1cccc2c1nccc2 2fbc703a686e0f0c85c92979c8d175c6 [0,0,1,0,0,1|1,0,0]=3 3558 B17R2.291558 CC(C)CNCc1cccc2c1nccn2 edb9e8ca162f131b32cbaac2ae26d0f9 [0,0,1,0,0,1|1,0,0]=3 3559 B17R2.291558 CC(C)CNCc1ccnc2c1cccc2 8962e8267347d31107dc991c3dfe5498 [0,0,1,0,0,1|2,0,0]=4 3560 B17R2.291558 CC(C)CNCc1cncc2c1cccc2 e5798ece381ecc7d752235b603afd9ac [0,0,1,0,0,1|2,0,0]=4 3561 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 9bbae89541acc4c6adc36c9538ce0fbd [0,0,1,0,0,1|2,0,0]=4 3562 B17R2.291558 CC(C)COCc1cccc2c1cccc2 464e9b814988720320719b6f0e176033 [0,0,1,0,0,1|2,0,0]=4 3563 B17R2.291558 CC(C)COCc1cccc2c1cccn2 a163061277801ff2e40d081ffe0480c0 [0,0,1,0,0,1|2,0,0]=4 3564 B17R2.291558 CC(C)COCc1cccc2c1ccnc2 39ff71b465324939372df7b3964f9073 [0,0,1,0,0,1|2,0,0]=4 3565 B17R2.291558 CC(C)COCc1cccc2c1cncc2 53b666783c63b2372d390ea18c9ca0b2 [0,0,1,0,0,1|2,0,0]=4 3566 B17R2.291558 CC(C)COCc1cccc2c1nccc2 af3472d3f76cf5d4b6780bcbd592387e [0,0,1,0,0,1|2,0,0]=4 3567 B17R2.291558 CC(C)COCc1cccc2c1nccn2 611f97b124240aae889c4b9e5639c6cb [0,0,1,0,0,1|2,0,0]=4 3568 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 3b79b1e920bb7d7d7efa53f2d8b510d3 [0,0,1,0,0,1|2,0,0]=4 3569 B17R2.291558 CC(O)CNCc1cccc2c1cccn2 7facde8037ed3a34dc55c71dee95f05e [0,0,1,0,0,1|2,0,0]=4 3570 B17R2.291558 CC(O)CNCc1cccc2c1ccnc2 98b30aee52c86d36aed7c989fbdf104a [0,0,1,0,0,1|2,0,0]=4 3571 B17R2.291558 CC(O)CNCc1cccc2c1cncc2 2726888696730c819199193eb99111e8 [0,0,1,0,0,1|2,0,0]=4 3572 B17R2.291558 CC(O)CNCc1cccc2c1nccc2 90d9acc70a06509e79fb300f39c447be [0,0,1,0,0,1|2,0,0]=4 3573 B17R2.291558 CC(O)CNCc1cccc2c1nccn2 8dca4b97db8d79e0ba688e8ac77a809d [0,0,1,0,0,1|2,0,0]=4 3574 B17R2.291558 CN(C)CNCc1cccc2c1cccc2 e4c525cf1f98e6292fbc757f0f3856cf [0,0,1,0,0,1|2,0,0]=4 3575 B17R2.291558 CN(C)CNCc1cccc2c1cccn2 e4685fa7dade1c65a41d30741b57dcca [0,0,1,0,0,1|2,0,0]=4 3576 B17R2.291558 CN(C)CNCc1cccc2c1ccnc2 9505569b34b3ea7455ddf040c214c641 [0,0,1,0,0,1|2,0,0]=4 3577 B17R2.291558 CN(C)CNCc1cccc2c1cncc2 941fc88ad9635f94f036c473087e2dd5 [0,0,1,0,0,1|2,0,0]=4 3578 B17R2.291558 CN(C)CNCc1cccc2c1nccc2 e889e3b52b59734f5ff30c514a5123a5 [0,0,1,0,0,1|2,0,0]=4 3579 B17R2.291558 CN(C)CNCc1cccc2c1nccn2 dc52a147e41e19a5aa264c6623370d11 [0,0,1,0,0,1|2,0,0]=4 3580 B17R2.291558 C[C@@H](O)CNCc1cccc2c1cccc2 5dd8a89d992641e1f3f3944ef3962cea [0,0,1,0,0,1|2,0,0]=4 3581 B17R2.291558 C[C@@H](O)CNCc1cccc2c1cccn2 9c0ce98e91208f503e44cae003d06787 [0,0,1,0,0,1|2,0,0]=4 3582 B17R2.291558 C[C@@H](O)CNCc1cccc2c1ccnc2 a86b29c73fc957919283bc3828c5dec0 [0,0,1,0,0,1|2,0,0]=4 3583 B17R2.291558 C[C@@H](O)CNCc1cccc2c1cncc2 7d3657de0cf575f0583211ec9e79ae67 [0,0,1,0,0,1|2,0,0]=4 3584 B17R2.291558 C[C@@H](O)CNCc1cccc2c1nccc2 b9c142c0dc055535266e5bde19836c0c [0,0,1,0,0,1|2,0,0]=4 3585 B17R2.291558 C[C@@H](O)CNCc1cccc2c1nccn2 523cd12f8696551cf2d17e91aab1a12a [0,0,1,0,0,1|2,0,0]=4 3586 B17R2.291558 C[C@H](O)CNCc1cccc2c1cccc2 52d77319c48f9dd7a054b545f1dbce2b [0,0,1,0,0,1|2,0,0]=4 3587 B17R2.291558 C[C@H](O)CNCc1cccc2c1cccn2 8e1a7e0b0249d5829e1e270184c7bd1d [0,0,1,0,0,1|2,0,0]=4 3588 B17R2.291558 C[C@H](O)CNCc1cccc2c1ccnc2 20c4f6d1e30a8ba86bff9941315cb719 [0,0,1,0,0,1|2,0,0]=4 3589 B17R2.291558 C[C@H](O)CNCc1cccc2c1cncc2 c9fa44b1bc0b385ad478339d688f7719 [0,0,1,0,0,1|2,0,0]=4 3590 B17R2.291558 C[C@H](O)CNCc1cccc2c1nccc2 6dd64e60068bd6185ab2f029365a5827 [0,0,1,0,0,1|2,0,0]=4 3591 B17R2.291558 C[C@H](O)CNCc1cccc2c1nccn2 9faeb8cf57ec18e871e750674ce05400 [0,0,1,0,0,1|2,0,0]=4 3592 B19R3.22022 c1cc(c2cccnc2c1)CNCC3CCC3 e5f4f47ea98d46d6b61b8cdceba56257 [0,0,0,0,0,2|1,0,0]=3 3593 B19R3.22022 c1cc(c2cccnc2c1)CNCC3CCO3 538dd92e232bf6f9dd7af3966d3b33d1 [0,0,0,0,0,2|1,0,0]=3 3594 B19R3.22022 c1cc(c2cccnc2c1)CNCC3COC3 d4f5bc4afc8b3591ddd917a6c2334dc2 [0,0,0,0,0,2|1,0,0]=3 3595 B19R3.22022 c1cc(c2cccnc2c1)CNC[C@@H]3CCO3 306f1c98e67401bec96ef7d00bd18462 [0,0,0,0,0,2|1,0,0]=3 3596 B19R3.22022 c1cc(c2cccnc2c1)CNC[C@H]3CCO3 5a438afb189597b679964fe4ba53de1f [0,0,0,0,0,2|1,0,0]=3 3597 B19R3.22022 c1cc(c2cccnc2c1)COCC3CCC3 4faefc721204210e132b2752b60eae89 [0,0,0,0,0,2|2,0,0]=4 3598 B19R3.22022 c1cc(c2cccnc2c1)COCC3CCO3 4593eafada95d98da8d87338d3f25b94 [0,0,0,0,0,2|2,0,0]=4 3599 B19R3.22022 c1cc(c2cccnc2c1)COCC3COC3 c277771feb0f89c1cacb196d7a49d5af [0,0,0,0,0,2|2,0,0]=4 3600 B19R3.22022 c1cc(c2cccnc2c1)COCC3CSC3 85e6469e22b6ddabd0ad712c10c2d77d [0,0,0,0,0,2|2,0,0]=4 3601 B19R3.22022 c1cc(c2cccnc2c1)COC[C@@H]3CCO3 e326fb81faff8b88467e3da34c33d692 [0,0,0,0,0,2|2,0,0]=4 3602 B19R3.22022 c1cc(c2cccnc2c1)COC[C@H]3CCO3 c9d9db94bff1c6305ad70a990de5f889 [0,0,0,0,0,2|2,0,0]=4 3603 B19R3.22022 c1cc(c2ccncc2c1)CNCC3CCC3 d1dc40c60199f1fc1773e678273fb26b [0,0,0,0,0,2|1,0,0]=3 3604 B19R3.22022 c1cc(c2ccncc2c1)CNCC3CCO3 1d808ad944df9ad110876594f9569d03 [0,0,0,0,0,2|1,0,0]=3 3605 B19R3.22022 c1cc(c2ccncc2c1)CNCC3COC3 587029edfc4fc8d6efa56fa3e51a9778 [0,0,0,0,0,2|1,0,0]=3 3606 B19R3.22022 c1cc(c2ccncc2c1)CNC[C@@H]3CCO3 646e32edd49c17e29ccef5116319aa57 [0,0,0,0,0,2|1,0,0]=3 3607 B19R3.22022 c1cc(c2ccncc2c1)CNC[C@H]3CCO3 3c844a410614a6f56e0156fbff19194c [0,0,0,0,0,2|1,0,0]=3 3608 B19R3.22022 c1cc(c2ccncc2c1)COCC3CCC3 1879230e2ce31e44c0f0a80f4a228987 [0,0,0,0,0,2|2,0,0]=4 3609 B19R3.22022 c1cc(c2ccncc2c1)COCC3CCO3 8d08ac7920a163f3fde169dc6a26fc81 [0,0,0,0,0,2|2,0,0]=4 3610 B19R3.22022 c1cc(c2ccncc2c1)COCC3COC3 5ad2bfe3478a2c439c4d203b76f6d303 [0,0,0,0,0,2|2,0,0]=4 3611 B19R3.22022 c1cc(c2ccncc2c1)COC[C@@H]3CCO3 fb2d2fffaa3907229eadfcc05ca0e9f3 [0,0,0,0,0,2|2,0,0]=4 3612 B19R3.22022 c1cc(c2ccncc2c1)COC[C@H]3CCO3 19ff44c1bf37748f5fbcac7aad7c3fbc [0,0,0,0,0,2|2,0,0]=4 3613 B19R3.22022 c1cc(c2cnccc2c1)CNCC3CCC3 a4e00a325ce1ffa4d6df081351e4b85d [0,0,0,0,0,2|1,0,0]=3 3614 B19R3.22022 c1cc(c2cnccc2c1)CNCC3CCO3 875e3ed5229e64a6a24bb0cf0b3ef05f [0,0,0,0,0,2|1,0,0]=3 3615 B19R3.22022 c1cc(c2cnccc2c1)CNCC3COC3 62a22f7f93bbfe9f08d64985bacfb4c1 [0,0,0,0,0,2|1,0,0]=3 3616 B19R3.22022 c1cc(c2cnccc2c1)CNC[C@@H]3CCO3 1a73f95573e767ae2cc0f47789165157 [0,0,0,0,0,2|1,0,0]=3 3617 B19R3.22022 c1cc(c2cnccc2c1)CNC[C@H]3CCO3 6a38e955da9e2a8ac16a2721906b6ae7 [0,0,0,0,0,2|1,0,0]=3 3618 B19R3.22022 c1cc(c2cnccc2c1)COCC3CCC3 5dc41412ac05361c47e88682b6572dcf [0,0,0,0,0,2|2,0,0]=4 3619 B19R3.22022 c1cc(c2cnccc2c1)COCC3CCO3 4ecaba10b8d1b9b64427dcfd1f3402e8 [0,0,0,0,0,2|2,0,0]=4 3620 B19R3.22022 c1cc(c2cnccc2c1)COCC3COC3 c2d374fead34c5069623a94a6ad301bc [0,0,0,0,0,2|2,0,0]=4 3621 B19R3.22022 c1cc(c2cnccc2c1)COCC3CSC3 434be5f5d726392f3fae46343ca9a2ad [0,0,0,0,0,2|2,0,0]=4 3622 B19R3.22022 c1cc(c2cnccc2c1)COC[C@@H]3CCO3 f27c8fc6edf8c731c2983598a8b2788a [0,0,0,0,0,2|2,0,0]=4 3623 B19R3.22022 c1cc(c2cnccc2c1)COC[C@H]3CCO3 83e7149e852f27e9e013e34ce3773263 [0,0,0,0,0,2|2,0,0]=4 3624 B19R3.22022 c1cc(c2nccnc2c1)CNCC3CCC3 497ddcf02fcb4a5e069e9aa160a94613 [0,0,0,0,0,2|1,0,0]=3 3625 B19R3.22022 c1cc(c2nccnc2c1)CNCC3CCO3 233f4106cafbd7c6f5c818f858c568ca [0,0,0,0,0,2|1,0,0]=3 3626 B19R3.22022 c1cc(c2nccnc2c1)CNCC3COC3 b64573e31f0f96f58400cca198e2ab19 [0,0,0,0,0,2|1,0,0]=3 3627 B19R3.22022 c1cc(c2nccnc2c1)CNC[C@@H]3CCO3 b16665f53fcc80f5b057ff14601d4da9 [0,0,0,0,0,2|1,0,0]=3 3628 B19R3.22022 c1cc(c2nccnc2c1)CNC[C@H]3CCO3 cd1805f6240dfd0200521c40f2b677f2 [0,0,0,0,0,2|1,0,0]=3 3629 B19R3.22022 c1cc(c2nccnc2c1)COCC3CCC3 31d0866677fa0214b934623306717506 [0,0,0,0,0,2|2,0,0]=4 3630 B19R3.22022 c1cc(c2nccnc2c1)COCC3CCO3 98522ed9cadb1a47006470be5b2c82f1 [0,0,0,0,0,2|2,0,0]=4 3631 B19R3.22022 c1cc(c2nccnc2c1)COCC3COC3 064776022e76d1350a9e55389ce1c583 [0,0,0,0,0,2|2,0,0]=4 3632 B19R3.22022 c1cc(c2nccnc2c1)COCC3CSC3 62910ee8a34d7cbd133e8540a2274601 [0,0,0,0,0,2|2,0,0]=4 3633 B19R3.22022 c1cc(c2nccnc2c1)COC[C@@H]3CCO3 da3b4b57846625a3b10924487f2d4ed9 [0,0,0,0,0,2|2,0,0]=4 3634 B19R3.22022 c1cc(c2nccnc2c1)COC[C@H]3CCO3 3050a10a602614e1e0791c9edd2319f6 [0,0,0,0,0,2|2,0,0]=4 3635 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCC3 7b1745940663367719cfda9495cab480 [0,0,0,0,0,2|1,0,0]=3 3636 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCO3 734876f5f9c278cc7dad7eba32bed7b3 [0,0,0,0,0,2|1,0,0]=3 3637 B19R3.22022 c1ccc2c(cccc2c1)CNCC3COC3 3d4338831c384e519ef3a582d7e98460 [0,0,0,0,0,2|1,0,0]=3 3638 B19R3.22022 c1ccc2c(cccc2c1)CNC[C@@H]3CCO3 6225a4ef25447508a0fc4f6a3bfc281d [0,0,0,0,0,2|1,0,0]=3 3639 B19R3.22022 c1ccc2c(cccc2c1)CNC[C@H]3CCO3 63bb7150b4a8f3a43564bb04a39f06f8 [0,0,0,0,0,2|1,0,0]=3 3640 B19R3.22022 c1ccc2c(cccc2c1)COCC3CCC3 de030701aed2abb89ceb7d9bf72a44fb [0,0,0,0,0,2|2,0,0]=4 3641 B19R3.22022 c1ccc2c(cccc2c1)COCC3CCO3 7232cc29fb64a5d87848b0e38c0c0112 [0,0,0,0,0,2|2,0,0]=4 3642 B19R3.22022 c1ccc2c(cccc2c1)COCC3COC3 741f29066e0ca8cb2bdacd06991d031d [0,0,0,0,0,2|2,0,0]=4 3643 B19R3.22022 c1ccc2c(cccc2c1)COCC3CSC3 ba4c3af1232e01370311a284d88ea64b [0,0,0,0,0,2|2,0,0]=4 3644 B19R3.22022 c1ccc2c(cccc2c1)COC[C@@H]3CCO3 6634b204177452b6c3e2305971a85711 [0,0,0,0,0,2|2,0,0]=4 3645 B19R3.22022 c1ccc2c(cccc2c1)COC[C@H]3CCO3 2d7f94517a624edd8a74d296fa4a9e69 [0,0,0,0,0,2|2,0,0]=4 3646 B19R3.22022 c1ccc2c(ccnc2c1)CNCC3CCC3 d272dadcfb61aa28577d277f9a144694 [0,0,0,0,0,2|2,0,0]=4 3647 B19R3.22022 c1ccc2c(ccnc2c1)CNCC3CCO3 272c181b6bf3365c79f4337a6660161e [0,0,0,0,0,2|2,0,0]=4 3648 B19R3.22022 c1ccc2c(ccnc2c1)CNCC3COC3 50549560fecb2c4fd852f547d961c8d0 [0,0,0,0,0,2|2,0,0]=4 3649 B19R3.22022 c1ccc2c(ccnc2c1)CNC[C@@H]3CCO3 06b40618708a6dab6a882a16acdf3df9 [0,0,0,0,0,2|2,0,0]=4 3650 B19R3.22022 c1ccc2c(ccnc2c1)CNC[C@H]3CCO3 d8e75a573d5bfaa1ada27aedaf805b84 [0,0,0,0,0,2|2,0,0]=4 3651 B19R3.22022 c1ccc2c(cncc2c1)CNCC3CCC3 e1514ff4129928713d8a347c87224476 [0,0,0,0,0,2|2,0,0]=4 3652 B19R3.22022 c1ccc2c(cncc2c1)CNCC3CCO3 8f425740b6a28f34debb4f2838a0c652 [0,0,0,0,0,2|2,0,0]=4 3653 B19R3.22022 c1ccc2c(cncc2c1)CNCC3COC3 a8669e77077923c4ca1c0a0e7afc04fb [0,0,0,0,0,2|2,0,0]=4 3654 B19R3.22022 c1ccc2c(cncc2c1)CNC[C@@H]3CCO3 0eb8dd74f59c7dd2e23ff7f706aec13a [0,0,0,0,0,2|2,0,0]=4 3655 B19R3.22022 c1ccc2c(cncc2c1)CNC[C@H]3CCO3 79a2bc3fccab8e64e6daa46dd721b8cd [0,0,0,0,0,2|2,0,0]=4 3656 B19R3.22022 c1ccc2c(nccc2c1)CNCC3CCC3 91731925d3bd848fb1c4ee19783ae88f [0,0,0,0,0,2|2,0,0]=4 3657 B19R3.22022 c1ccc2c(nccc2c1)CNCC3CCO3 85a43cd263d8878e5e93fdb3421cf4bd [0,0,0,0,0,2|2,0,0]=4 3658 B19R3.22022 c1ccc2c(nccc2c1)CNCC3COC3 b077e447cf5fcf14860d1ff1d838d594 [0,0,0,0,0,2|2,0,0]=4 3659 B19R3.22022 c1ccc2c(nccc2c1)CNC[C@@H]3CCO3 d922ede56d6a9b9548fc655680232566 [0,0,0,0,0,2|2,0,0]=4 3660 B19R3.22022 c1ccc2c(nccc2c1)CNC[C@H]3CCO3 38d07915233045fcbbe4fa1eed1c2fdf [0,0,0,0,0,2|2,0,0]=4 3661 B19R3.22022 c1cnc2c(cccc2c1)CNCC3CCC3 9e0bd9791df3962f3a181fc1ac25540a [0,0,0,0,0,2|1,0,0]=3 3662 B19R3.22022 c1cnc2c(cccc2c1)CNCC3CCO3 27e12e8e1cfcbbd2125c8f05b0ce5b81 [0,0,0,0,0,2|1,0,0]=3 3663 B19R3.22022 c1cnc2c(cccc2c1)CNCC3COC3 ae4650eeb99aea38bfeec309a0797465 [0,0,0,0,0,2|1,0,0]=3 3664 B19R3.22022 c1cnc2c(cccc2c1)CNC[C@@H]3CCO3 63c236723677b9264934c0e9df0df3d0 [0,0,0,0,0,2|1,0,0]=3 3665 B19R3.22022 c1cnc2c(cccc2c1)CNC[C@H]3CCO3 4ba9125a6573f317fed03ed0b100c64e [0,0,0,0,0,2|1,0,0]=3 3666 B19R3.22022 c1cnc2c(cccc2c1)COCC3CCC3 18da090c2638703b7b7b30b6fafb7262 [0,0,0,0,0,2|2,0,0]=4 3667 B19R3.22022 c1cnc2c(cccc2c1)COCC3CCO3 40df227acfec4c6244fe744ba2dd3ccb [0,0,0,0,0,2|2,0,0]=4 3668 B19R3.22022 c1cnc2c(cccc2c1)COCC3COC3 a90a9a2f164317586eb5e631013499d5 [0,0,0,0,0,2|2,0,0]=4 3669 B19R3.22022 c1cnc2c(cccc2c1)COCC3CSC3 e2187daa37337bf317dc8e52035708f4 [0,0,0,0,0,2|2,0,0]=4 3670 B19R3.22022 c1cnc2c(cccc2c1)COC[C@@H]3CCO3 4fa4067c6abc8e27c224ea12a3103f28 [0,0,0,0,0,2|2,0,0]=4 3671 B19R3.22022 c1cnc2c(cccc2c1)COC[C@H]3CCO3 dc23cb341706bc8e7a63bca847d6ca03 [0,0,0,0,0,2|2,0,0]=4 3672 B19R3.22023 c1cc(c2cccnc2c1)CNCCC3CC3 4aa21c13789778015f926fe1e4ebf016 [0,0,0,0,0,2|1,0,0]=3 3673 B19R3.22023 c1cc(c2cccnc2c1)CNCCN3CC3 b6276897454c85e23e818f5c64403854 [0,0,0,0,0,2|2,0,0]=4 3674 B19R3.22023 c1cc(c2cccnc2c1)COCCC3CC3 bd86a0ecdfb9e7487c514c1e8153a6b6 [0,0,0,0,0,2|2,0,0]=4 3675 B19R3.22023 c1cc(c2ccncc2c1)CNCCC3CC3 4213257341eed9b96acdd90d77f6353c [0,0,0,0,0,2|1,0,0]=3 3676 B19R3.22023 c1cc(c2ccncc2c1)COCCC3CC3 9572d7fe2f5bf5e5fadb833bc7bf610a [0,0,0,0,0,2|2,0,0]=4 3677 B19R3.22023 c1cc(c2cnccc2c1)CNCCC3CC3 2d6fc7a0ae422849ebbb8963348ca8f4 [0,0,0,0,0,2|1,0,0]=3 3678 B19R3.22023 c1cc(c2cnccc2c1)CNCCN3CC3 2f4a80e0d7a6ae171c4feaaf9fc37298 [0,0,0,0,0,2|2,0,0]=4 3679 B19R3.22023 c1cc(c2cnccc2c1)COCCC3CC3 dca28ff0a1042ecdf8e98a8647efeeeb [0,0,0,0,0,2|2,0,0]=4 3680 B19R3.22023 c1cc(c2nccnc2c1)CNCCC3CC3 f06a68fd7b68dfd5b5299c3adf417522 [0,0,0,0,0,2|1,0,0]=3 3681 B19R3.22023 c1cc(c2nccnc2c1)CNCCN3CC3 bc03329654a98fcbfb4435a80e84e0b5 [0,0,0,0,0,2|2,0,0]=4 3682 B19R3.22023 c1cc(c2nccnc2c1)COCCC3CC3 5203e597a653a4cffa55804ed5adcc9f [0,0,0,0,0,2|2,0,0]=4 3683 B19R3.22023 c1ccc2c(cccc2c1)CCCNC3CC3 b35c48b5f755c1ba80d2eb95838eb480 [0,0,0,0,0,2|2,0,0]=4 3684 B19R3.22023 c1ccc2c(cccc2c1)CCNCC3CC3 db506a3f4a0cc1b6c0b5f98878924b89 [0,0,0,0,0,2|1,0,0]=3 3685 B19R3.22023 c1ccc2c(cccc2c1)CCOCC3CC3 c41f2195b8e21c06c9b945038e1aa1b1 [0,0,0,0,0,2|2,0,0]=4 3686 B19R3.22023 c1ccc2c(cccc2c1)CNCCC3CC3 cd5f8f23cb3382889de7d64982bc418e [0,0,0,0,0,2|1,0,0]=3 3687 B19R3.22023 c1ccc2c(cccc2c1)CNCCN3CC3 33fd68977cc183205c49269284165342 [0,0,0,0,0,2|2,0,0]=4 3688 B19R3.22023 c1ccc2c(cccc2c1)COCCC3CC3 1368a18da6dca4c9da251eebf8208b17 [0,0,0,0,0,2|2,0,0]=4 3689 B19R3.22023 c1ccc2c(ccnc2c1)CNCCC3CC3 bd19b52d397920437b37c4e1dee6cd5e [0,0,0,0,0,2|2,0,0]=4 3690 B19R3.22023 c1ccc2c(cncc2c1)CNCCC3CC3 d03a8e968173b5c124e250d7566415ce [0,0,0,0,0,2|2,0,0]=4 3691 B19R3.22023 c1ccc2c(nccc2c1)CNCCC3CC3 3e9cf8caff3c2996e4909266e596f752 [0,0,0,0,0,2|2,0,0]=4 3692 B19R3.22023 c1cnc2c(cccc2c1)CNCCC3CC3 a729851f6720cac3ddf9f2b51288edf6 [0,0,0,0,0,2|1,0,0]=3 3693 B19R3.22023 c1cnc2c(cccc2c1)CNCCN3CC3 d96960cb1d3b7d860930c4375c6e5c9d [0,0,0,0,0,2|2,0,0]=4 3694 B19R3.22023 c1cnc2c(cccc2c1)COCCC3CC3 de4c370edf454c5f938a7772c97af350 [0,0,0,0,0,2|2,0,0]=4 3695 B19R3.19185 C1=C(CCC1)CNCc2cccc3c2[nH]cc3 3118dacc1ed266463b7890f29e4d1182 [0,0,0,0,0,2|1,0,1]=4 3696 B19R3.19185 C1=C(CCC1)CNCc2cccc3c2occ3 0d43bb7dc8f1a2ce57431eddcd8d4e36 [0,0,0,0,0,2|0,1,1]=4 3697 B19R3.19185 C1=C(CCC1)CNCc2cccc3c2scc3 3394c4c0dac7e29d81fd979d221be665 [0,0,0,0,0,2|0,0,1]=3 3698 B19R3.19185 C1=C(CCC1)CNCc2cccc3c2scn3 2a0f620842948e5f1ceb45085f8cb953 [0,0,0,0,0,2|1,0,1]=4 3699 B19R3.19185 C1=CC(CC1)COCc2cccc3c2scc3 959b49592fc7f22be3a228b298b9a88c [0,0,0,0,0,2|1,0,0]=3 3700 B19R3.19185 C1=CC(CC1)COCc2cccc3c2scn3 0b6f0831bc6adbd07bae8704c41c313d [0,0,0,0,0,2|2,0,0]=4 3701 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2[nH]cc3 a5ca89c38948def6af891d7990f17440 [0,0,0,0,0,2|1,0,0]=3 3702 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2[nH]nc3 f1574aa25b9de15fda6097fcf0a8d487 [0,0,0,0,0,2|2,0,0]=4 3703 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2cc[nH]3 c9a652802bf5cfe0318dd73bee8fc20d [0,0,0,0,0,2|2,0,0]=4 3704 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2ccs3 5fba6a89442bd2b1a95bf9a06293982c [0,0,0,0,0,2|2,0,0]=4 3705 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2nco3 fe8430ea666cb552737bc2a8a248587d [0,0,0,0,0,2|2,0,0]=4 3706 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2ncs3 0cb163a6fa4cb0e3043feb243f22a4d0 [0,0,0,0,0,2|2,0,0]=4 3707 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2occ3 a82cb96051efb6438b10878c995dbf96 [0,0,0,0,0,2|0,1,0]=3 3708 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2ocn3 f57f5b651217368567511ce94b350ed3 [0,0,0,0,0,2|1,1,0]=4 3709 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2scc3 06f8454c8679bf21257816937a5f8280 [0,0,0,0,0,2|0,0,0]=2 3710 B19R3.19185 C1=CCC(C1)CNCc2cccc3c2scn3 925ac7814394787381c5aff5aca2ea58 [0,0,0,0,0,2|1,0,0]=3 3711 B19R3.19185 C1=CCC(C1)CNCc2cccc3n2ncc3 8d26a95835c10def35baedea19fc3a9d [0,0,0,0,0,2|2,0,0]=4 3712 B19R3.19185 C1=CCC(C1)CNCc2cccn3c2ncc3 37cab506a44341d80e92806feabb0847 [0,0,0,0,0,2|2,0,0]=4 3713 B19R3.19185 C1=CCC(C1)COCc2cccc3c2[nH]cc3 8f536cee0da9914354bf0cef4a64ba42 [0,0,0,0,0,2|2,0,0]=4 3714 B19R3.19185 C1=CCC(C1)COCc2cccc3c2occ3 d76ab1d4ed1fa65de0656e5bd5a3e715 [0,0,0,0,0,2|1,1,0]=4 3715 B19R3.19185 C1=CCC(C1)COCc2cccc3c2scc3 12fb8f5a25c595f180dc9cff6dc09bff [0,0,0,0,0,2|1,0,0]=3 3716 B19R3.19185 C1=CCC(C1)COCc2cccc3c2scn3 cd4a6628f3342aa292d02144983a8402 [0,0,0,0,0,2|2,0,0]=4 3717 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3CCCC3 57c1cf4eeb1f1653af444f6abde93287 [0,0,0,0,0,2|1,0,0]=3 3718 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3CCCO3 2b794acd3b830461c1c42d0e09cfe739 [0,0,0,0,0,2|1,0,0]=3 3719 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3CCOC3 8a9c38eea7988d7eef93a3f1b190e290 [0,0,0,0,0,2|1,0,0]=3 3720 B19R3.19185 c1cc(c2[nH]ccc2c1)COCC3CCCC3 92f07064c0c6eff0f679d3cc1a83e7ac [0,0,0,0,0,2|2,0,0]=4 3721 B19R3.19185 c1cc(c2[nH]ccc2c1)COCC3CCCO3 450751567dbe13e7f42a10d20bdd3b9f [0,0,0,0,0,2|2,0,0]=4 3722 B19R3.19185 c1cc(c2[nH]ccc2c1)COCC3CCOC3 4dfd9f6ee0072068ec125b81d74937b2 [0,0,0,0,0,2|2,0,0]=4 3723 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCCC3 d36bc6132645abc24eb21e90d73bbd9b [0,0,0,0,0,2|2,0,0]=4 3724 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCCO3 f2c655ac85c350e9961a589908a9ee14 [0,0,0,0,0,2|2,0,0]=4 3725 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCOC3 0634cbd74fe32e2061ae98710e975403 [0,0,0,0,0,2|2,0,0]=4 3726 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCCO3 a7957a3c7539f4afe7f03543c344cd68 [0,0,0,0,0,2|2,0,0]=4 3727 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCOC3 813594b3e6a6e9cea109a77079863129 [0,0,0,0,0,2|2,0,0]=4 3728 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@H]3CCCO3 4b5dd3477e70e37dfa794fa40531c6bb [0,0,0,0,0,2|2,0,0]=4 3729 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@H]3CCOC3 d1e9ea6de0415801965014bbd5701fcd [0,0,0,0,0,2|2,0,0]=4 3730 B19R3.19185 c1cc(c2cc[nH]c2c1)CNCC3CCCC3 035e3d0643ce09d9e37229c3a32d1f54 [0,0,0,0,0,2|2,0,0]=4 3731 B19R3.19185 c1cc(c2cc[nH]c2c1)CNCC3CCCO3 c7da3171f2080aa534532ff35fe87f51 [0,0,0,0,0,2|2,0,0]=4 3732 B19R3.19185 c1cc(c2cc[nH]c2c1)CNCC3CCOC3 0b9ac7a3b4b7edb197d2e1eaddea8c68 [0,0,0,0,0,2|2,0,0]=4 3733 B19R3.19185 c1cc(c2ccsc2c1)CNCC3CCCC3 35f2bb977cd024c6f15d9c087f0542d8 [0,0,0,0,0,2|2,0,0]=4 3734 B19R3.19185 c1cc(c2ccsc2c1)CNCC3CCCO3 6510a9f2011943fa76bef19f64f779c2 [0,0,0,0,0,2|2,0,0]=4 3735 B19R3.19185 c1cc(c2ccsc2c1)CNCC3CCOC3 463b78d452ca193253a7766c94b84ebf [0,0,0,0,0,2|2,0,0]=4 3736 B19R3.19185 c1cc(c2ccsc2c1)CNC[C@@H]3CCCO3 9371911141bbb7584ab2137c7b4fc51b [0,0,0,0,0,2|2,0,0]=4 3737 B19R3.19185 c1cc(c2ccsc2c1)CNC[C@@H]3CCOC3 3c58a10e9646841a5f6ab12645f02415 [0,0,0,0,0,2|2,0,0]=4 3738 B19R3.19185 c1cc(c2ccsc2c1)CNC[C@H]3CCCO3 469f2138b0310cf1df2f6336089914fc [0,0,0,0,0,2|2,0,0]=4 3739 B19R3.19185 c1cc(c2ccsc2c1)CNC[C@H]3CCOC3 ef49c4851bd0217fc484f015351bfbbf [0,0,0,0,0,2|2,0,0]=4 3740 B19R3.19185 c1cc(c2nccn2c1)CNCC3CCCC3 67a335cc4a3ac92a62e5651561f2ac1a [0,0,0,0,0,2|2,0,0]=4 3741 B19R3.19185 c1cc(c2nccn2c1)CNCC3CCCO3 1e160776743dde57bc5c6642f4dcb031 [0,0,0,0,0,2|2,0,0]=4 3742 B19R3.19185 c1cc(c2nccn2c1)CNCC3CCOC3 ed75fcaed18798b2260e6512dcfeb4bb [0,0,0,0,0,2|2,0,0]=4 3743 B19R3.19185 c1cc(c2ncoc2c1)CNCC3CCCC3 00cf3d606633195a23b72f62fa0552da [0,0,0,0,0,2|2,0,0]=4 3744 B19R3.19185 c1cc(c2ncoc2c1)CNCC3CCCO3 a1dbdafeff79274903b58d03b2d4c753 [0,0,0,0,0,2|2,0,0]=4 3745 B19R3.19185 c1cc(c2ncoc2c1)CNCC3CCOC3 f0b144944c34d3681113c3ce1348dd2d [0,0,0,0,0,2|2,0,0]=4 3746 B19R3.19185 c1cc(c2ncoc2c1)CNC[C@@H]3CCCO3 3e1d915b3a572752ac72089a5ad9b269 [0,0,0,0,0,2|2,0,0]=4 3747 B19R3.19185 c1cc(c2ncoc2c1)CNC[C@@H]3CCOC3 31a9310b57f8fd7eba21ac81046a5056 [0,0,0,0,0,2|2,0,0]=4 3748 B19R3.19185 c1cc(c2ncoc2c1)CNC[C@H]3CCCO3 4504fadf660132316b97623992e0fe5c [0,0,0,0,0,2|2,0,0]=4 3749 B19R3.19185 c1cc(c2ncoc2c1)CNC[C@H]3CCOC3 5cccd378bf335e9a2e39d82129a34c22 [0,0,0,0,0,2|2,0,0]=4 3750 B19R3.19185 c1cc(c2ncsc2c1)CNCC3CCCC3 aa99987480dd999dfb6e35d7af0cd57d [0,0,0,0,0,2|2,0,0]=4 3751 B19R3.19185 c1cc(c2ncsc2c1)CNCC3CCCO3 5ec85420bc5f21bac2aed0395f07b28b [0,0,0,0,0,2|2,0,0]=4 3752 B19R3.19185 c1cc(c2ncsc2c1)CNCC3CCOC3 ab43b05ded0bbeb98e1c6e6ec53ea64a [0,0,0,0,0,2|2,0,0]=4 3753 B19R3.19185 c1cc(c2ncsc2c1)CNC[C@@H]3CCCO3 399135e4efa3d733ee77dbf08538f4d7 [0,0,0,0,0,2|2,0,0]=4 3754 B19R3.19185 c1cc(c2ncsc2c1)CNC[C@@H]3CCOC3 379d58088816e2cb4944173e1228cd8c [0,0,0,0,0,2|2,0,0]=4 3755 B19R3.19185 c1cc(c2ncsc2c1)CNC[C@H]3CCCO3 927697960380b0f539436dd472a91047 [0,0,0,0,0,2|2,0,0]=4 3756 B19R3.19185 c1cc(c2ncsc2c1)CNC[C@H]3CCOC3 2ebaab31504ce4b8b3a1ae14fd80e906 [0,0,0,0,0,2|2,0,0]=4 3757 B19R3.19185 c1cc(c2occc2c1)CNCC3CCCC3 a24de2d7e70fbdda4eb259ec6ac03bf0 [0,0,0,0,0,2|0,1,0]=3 3758 B19R3.19185 c1cc(c2occc2c1)CNCC3CCCO3 579c47a4e82347fef8ca3d791ebc78d5 [0,0,0,0,0,2|0,1,0]=3 3759 B19R3.19185 c1cc(c2occc2c1)CNCC3CCOC3 7888fc386597ae6c03a4601545dbb8bd [0,0,0,0,0,2|0,1,0]=3 3760 B19R3.19185 c1cc(c2occc2c1)COCC3CCCC3 279cb7a83200398557cb117ed2b93b05 [0,0,0,0,0,2|1,1,0]=4 3761 B19R3.19185 c1cc(c2occc2c1)COCC3CCCO3 9cd1422b7a5bad2c7dd03bf5a5b0643f [0,0,0,0,0,2|1,1,0]=4 3762 B19R3.19185 c1cc(c2occc2c1)COCC3CCOC3 b1ab157771858359f38571f5c0561c76 [0,0,0,0,0,2|1,1,0]=4 3763 B19R3.19185 c1cc(c2ocnc2c1)CNCC3CCCC3 9171686657ee5e6a5e7139feaa1ae392 [0,0,0,0,0,2|1,1,0]=4 3764 B19R3.19185 c1cc(c2ocnc2c1)CNCC3CCCO3 224c8ae7109fa1f3df82156db1907989 [0,0,0,0,0,2|1,1,0]=4 3765 B19R3.19185 c1cc(c2ocnc2c1)CNCC3CCOC3 01eb7be0ce9a158979d31301118e7d0e [0,0,0,0,0,2|1,1,0]=4 3766 B19R3.19185 c1cc(c2ocnc2c1)CNC[C@@H]3CCCO3 ef81d30d03d93c6e212985f2898caca9 [0,0,0,0,0,2|1,1,0]=4 3767 B19R3.19185 c1cc(c2ocnc2c1)CNC[C@@H]3CCOC3 7ce09c6a2d3a51cdb0d79ca1e083a3df [0,0,0,0,0,2|1,1,0]=4 3768 B19R3.19185 c1cc(c2ocnc2c1)CNC[C@H]3CCCO3 9d7b0f3fabbe91bfcf43f434d180947f [0,0,0,0,0,2|1,1,0]=4 3769 B19R3.19185 c1cc(c2ocnc2c1)CNC[C@H]3CCOC3 ddc757d52cba3ada185058448b7cf2d8 [0,0,0,0,0,2|1,1,0]=4 3770 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCCC3 bb432c9d3007581053f0abee5c0a3cf5 [0,0,0,0,0,2|0,0,0]=2 3771 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCCO3 0ec38da1e971c64490adf249acefe5de [0,0,0,0,0,2|0,0,0]=2 3772 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCOC3 fcd2133148917793a0b2275e45be5270 [0,0,0,0,0,2|0,0,0]=2 3773 B19R3.19185 c1cc(c2sccc2c1)CNC[C@@H]3CCCO3 c2b38219dc057e467107d5854fc900f4 [0,0,0,0,0,2|0,0,0]=2 3774 B19R3.19185 c1cc(c2sccc2c1)CNC[C@@H]3CCOC3 7d633d397842a81e3e4a223ba357cb91 [0,0,0,0,0,2|0,0,0]=2 3775 B19R3.19185 c1cc(c2sccc2c1)CNC[C@H]3CCCO3 ae952a8d3353fc9cbfdc35a563920c98 [0,0,0,0,0,2|0,0,0]=2 3776 B19R3.19185 c1cc(c2sccc2c1)CNC[C@H]3CCOC3 5672621f56ef814ae2e4392486866537 [0,0,0,0,0,2|0,0,0]=2 3777 B19R3.19185 c1cc(c2sccc2c1)COCC3CCCC3 93c872ce8c5e2c66cf952df6ecf6df53 [0,0,0,0,0,2|1,0,0]=3 3778 B19R3.19185 c1cc(c2sccc2c1)COCC3CCCO3 216ab38befe51cf478435d99d42edf43 [0,0,0,0,0,2|1,0,0]=3 3779 B19R3.19185 c1cc(c2sccc2c1)COCC3CCCS3 12fe2e61ee2c318a3d50c80be7ac5048 [0,0,0,0,0,2|1,0,0]=3 3780 B19R3.19185 c1cc(c2sccc2c1)COCC3CCOC3 a42c918814f0e67508e5350dd7b9b98c [0,0,0,0,0,2|1,0,0]=3 3781 B19R3.19185 c1cc(c2sccc2c1)COCN3CCCC3 9acf510fd71e44cd8119c83c21558a59 [0,0,0,0,0,2|2,0,0]=4 3782 B19R3.19185 c1cc(c2sccc2c1)COC[C@@H]3CCCO3 4a510531832027bd8bc578250bc1f461 [0,0,0,0,0,2|1,0,0]=3 3783 B19R3.19185 c1cc(c2sccc2c1)COC[C@@H]3CCOC3 3799d15424b9660fad983ae056f5c35e [0,0,0,0,0,2|1,0,0]=3 3784 B19R3.19185 c1cc(c2sccc2c1)COC[C@H]3CCCO3 7581f6806db50663c0c9db9b4620c84d [0,0,0,0,0,2|1,0,0]=3 3785 B19R3.19185 c1cc(c2sccc2c1)COC[C@H]3CCOC3 7824a73b5976eb5cac0be23d7d5b6010 [0,0,0,0,0,2|1,0,0]=3 3786 B19R3.19185 c1cc(c2sccc2c1)NCCC3CCCO3 9ee85480683c2fd3ccf8ae229f5514fe [0,0,0,0,0,2|2,0,0]=4 3787 B19R3.19185 c1cc(c2sccc2c1)OCCC3CCCC3 1cf7e72e355e33cb0a6d6258a2701a4d [0,0,0,0,0,2|2,0,0]=4 3788 B19R3.19185 c1cc(c2sccc2c1)OCCC3CCCO3 01b0b47f228d7f5fda87929091765ffd [0,0,0,0,0,2|2,0,0]=4 3789 B19R3.19185 c1cc(c2sccc2c1)OCCC3CCOC3 94849e52bb591249b1c93ad3e1871c7f [0,0,0,0,0,2|2,0,0]=4 3790 B19R3.19185 c1cc(c2scnc2c1)CNCC3CCCC3 9c6a62e93906c054a66339df22fdd007 [0,0,0,0,0,2|1,0,0]=3 3791 B19R3.19185 c1cc(c2scnc2c1)CNCC3CCCO3 81ac2cc719b3327077e6b871c54a85f5 [0,0,0,0,0,2|1,0,0]=3 3792 B19R3.19185 c1cc(c2scnc2c1)CNCC3CCOC3 8cee4458fdb1ab971bd88168c70c9cfd [0,0,0,0,0,2|1,0,0]=3 3793 B19R3.19185 c1cc(c2scnc2c1)CNC[C@@H]3CCCO3 7bb8cc836ca104b9b591ef21df66e751 [0,0,0,0,0,2|1,0,0]=3 3794 B19R3.19185 c1cc(c2scnc2c1)CNC[C@H]3CCCO3 171d2a7ae26edb7e7f433232db80067b [0,0,0,0,0,2|1,0,0]=3 3795 B19R3.19185 c1cc(c2scnc2c1)COCC3CCCC3 1415fbc192348a14fb5621f114086b01 [0,0,0,0,0,2|2,0,0]=4 3796 B19R3.19185 c1cc(c2scnc2c1)COCC3CCCO3 f9d4ba5d9a50988aa6385d44baf50468 [0,0,0,0,0,2|2,0,0]=4 3797 B19R3.19185 c1cc(c2scnc2c1)COCC3CCOC3 36626d852a550b0a90dcb749dbc59e33 [0,0,0,0,0,2|2,0,0]=4 3798 B19R3.19185 c1cc(c2scnc2c1)COC[C@@H]3CCCO3 c6912c77a0e6aea3d406dc3133ced1a0 [0,0,0,0,0,2|2,0,0]=4 3799 B19R3.19185 c1cc(c2scnc2c1)COC[C@@H]3CCOC3 e12e408e703532c69184e2a2aa8a0f84 [0,0,0,0,0,2|2,0,0]=4 3800 B19R3.19185 c1cc(c2scnc2c1)COC[C@H]3CCCO3 8f47a167304cb83e0bc82685f36e4e1c [0,0,0,0,0,2|2,0,0]=4 3801 B19R3.19185 c1cc(c2scnc2c1)COC[C@H]3CCOC3 8fb8c8c764b679a8c297a95a327fc8ed [0,0,0,0,0,2|2,0,0]=4 3802 B19R3.19185 c1cc(n2nccc2c1)CNCC3CCCC3 8e03858eb53e864f93ba42b5bd6a9483 [0,0,0,0,0,2|2,0,0]=4 3803 B19R3.19185 c1cc(n2nccc2c1)CNCC3CCCO3 9d900b4788f24164c02fbab309418b27 [0,0,0,0,0,2|2,0,0]=4 3804 B19R3.19185 c1cc(n2nccc2c1)CNCC3CCOC3 116bfa1607a26015dc51d3ba788e59a8 [0,0,0,0,0,2|2,0,0]=4 3805 B19R3.19185 c1cc(n2nccc2c1)CNC[C@@H]3CCCO3 fcbfcdae97c63ffcc17c1d4ca5c81555 [0,0,0,0,0,2|2,0,0]=4 3806 B19R3.19185 c1cc(n2nccc2c1)CNC[C@@H]3CCOC3 50f2a52f092779f7437118dce9176e6b [0,0,0,0,0,2|2,0,0]=4 3807 B19R3.19185 c1cc(n2nccc2c1)CNC[C@H]3CCCO3 d611e60b1a01b23868bdbc92ae110d2a [0,0,0,0,0,2|2,0,0]=4 3808 B19R3.19185 c1cc(n2nccc2c1)CNC[C@H]3CCOC3 edbc5a79dfbb2223fd85330a843689ea [0,0,0,0,0,2|2,0,0]=4 3809 B19R3.324743 c1cc(c2[nH]ccc2c1)CCCNC3CCC3 e56c709245f467ae1001244de779808d [0,0,0,0,0,2|2,0,0]=4 3810 B19R3.324743 c1cc(c2[nH]ccc2c1)CNCCC3CCC3 365702173ad5404c81f8e00de41bff2e [0,0,0,0,0,2|1,0,0]=3 3811 B19R3.324743 c1cc(c2[nH]ccc2c1)CNCCC3CCO3 4f6ec0c9b674fd4ced8c82eff4a0f17b [0,0,0,0,0,2|1,0,0]=3 3812 B19R3.324743 c1cc(c2[nH]ccc2c1)CNCCC3COC3 7824cf4cbee345b3d14ca69ab0111597 [0,0,0,0,0,2|1,0,0]=3 3813 B19R3.324743 c1cc(c2[nH]ccc2c1)COCCC3CCC3 09ed4dfbee7fb70144b5ef1f7afd52a8 [0,0,0,0,0,2|2,0,0]=4 3814 B19R3.324743 c1cc(c2[nH]ccc2c1)COCCC3CCO3 dd356310ef1955e12709d790615c9ad8 [0,0,0,0,0,2|2,0,0]=4 3815 B19R3.324743 c1cc(c2[nH]ccc2c1)COCCC3COC3 be2d937ac8eeeb275d92d6d32328a2bf [0,0,0,0,0,2|2,0,0]=4 3816 B19R3.324743 c1cc(c2[nH]ncc2c1)CNCCC3CCC3 15957a63207f10fe5d0bdeb7037fa023 [0,0,0,0,0,2|2,0,0]=4 3817 B19R3.324743 c1cc(c2[nH]ncc2c1)CNCCC3CCO3 e87700e7b9aa2d91deec5df88239e381 [0,0,0,0,0,2|2,0,0]=4 3818 B19R3.324743 c1cc(c2[nH]ncc2c1)CNCCC3COC3 bb60df941365191be6b066b58aba0460 [0,0,0,0,0,2|2,0,0]=4 3819 B19R3.324743 c1cc(c2[nH]ncc2c1)CNCC[C@@H]3CCO3 3e4b850a305aebb91f724bb180d240d0 [0,0,0,0,0,2|2,0,0]=4 3820 B19R3.324743 c1cc(c2cc[nH]c2c1)CCNCC3CCC3 dcf177d21d072b95649a41115714e7b6 [0,0,0,0,0,2|2,0,0]=4 3821 B19R3.324743 c1cc(c2cc[nH]c2c1)CCNCC3CCO3 450c4deeb21d9c9ca6810ab2cd273e15 [0,0,0,0,0,2|2,0,0]=4 3822 B19R3.324743 c1cc(c2cc[nH]c2c1)CCNCC3COC3 78b11eaf5660e5318294482b55819ee3 [0,0,0,0,0,2|2,0,0]=4 3823 B19R3.324743 c1cc(c2cc[nH]c2c1)CCNC[C@@H]3CCO3 cc39aa959a3ca60d759e4c4b6673dd1c [0,0,0,0,0,2|2,0,0]=4 3824 B19R3.324743 c1cc(c2cc[nH]c2c1)CCNC[C@H]3CCO3 62bb4d7da31b3cfa7c8b41c8ca0aec96 [0,0,0,0,0,2|2,0,0]=4 3825 B19R3.324743 c1cc(c2cc[nH]c2c1)CNCCC3CCC3 80edcd51b6659ba6efb278ddee711bb8 [0,0,0,0,0,2|2,0,0]=4 3826 B19R3.324743 c1cc(c2cc[nH]c2c1)CNCCC3CCO3 b445e4ad4a81eee381ab18e2ed42430f [0,0,0,0,0,2|2,0,0]=4 3827 B19R3.324743 c1cc(c2cc[nH]c2c1)CNCCC3COC3 fc44ff967c7e5544fdbc9ce8b4a12715 [0,0,0,0,0,2|2,0,0]=4 3828 B19R3.324743 c1cc(c2ccsc2c1)CNCCC3CCC3 93f4a98b1319d2e3dd1be29d87d7ac5b [0,0,0,0,0,2|2,0,0]=4 3829 B19R3.324743 c1cc(c2ccsc2c1)CNCCC3CCO3 bb1ab72ca831cbf1588198dc2c0b7840 [0,0,0,0,0,2|2,0,0]=4 3830 B19R3.324743 c1cc(c2ccsc2c1)CNCCC3COC3 74b73ef044b454de90f3f4c9417a83af [0,0,0,0,0,2|2,0,0]=4 3831 B19R3.324743 c1cc(c2ccsc2c1)CNCC[C@@H]3CCO3 cd8ffe4e93aaaa399015770215b5bcf6 [0,0,0,0,0,2|2,0,0]=4 3832 B19R3.324743 c1cc(c2nccn2c1)CNCCC3CCC3 4b1babbc18a909156a95dc176d3c1e66 [0,0,0,0,0,2|2,0,0]=4 3833 B19R3.324743 c1cc(c2nccn2c1)CNCCC3CCO3 4a0394ad37f48f0da470bc2f4fc72758 [0,0,0,0,0,2|2,0,0]=4 3834 B19R3.324743 c1cc(c2nccn2c1)CNCCC3COC3 505361c50f14ad3dcc6eefe4f9d8f0db [0,0,0,0,0,2|2,0,0]=4 3835 B19R3.324743 c1cc(c2ncoc2c1)CNCCC3CCC3 d90254073c4a4289d1b32505a79544e3 [0,0,0,0,0,2|2,0,0]=4 3836 B19R3.324743 c1cc(c2ncoc2c1)CNCCC3CCO3 92effe3d082169babefee4ffba9b4d8a [0,0,0,0,0,2|2,0,0]=4 3837 B19R3.324743 c1cc(c2ncoc2c1)CNCCC3COC3 4bf78f785c2e3d925ad997f3b64cda24 [0,0,0,0,0,2|2,0,0]=4 3838 B19R3.324743 c1cc(c2ncoc2c1)CNCC[C@@H]3CCO3 d16237840b7b3bb05ddbb9a2dae83238 [0,0,0,0,0,2|2,0,0]=4 3839 B19R3.324743 c1cc(c2ncsc2c1)CNCCC3CCC3 28a52314b098572428d6e2dfd1426879 [0,0,0,0,0,2|2,0,0]=4 3840 B19R3.324743 c1cc(c2ncsc2c1)CNCCC3CCO3 c909d4757a785325de74e38818bc6d39 [0,0,0,0,0,2|2,0,0]=4 3841 B19R3.324743 c1cc(c2ncsc2c1)CNCCC3COC3 5962fa9776e47b1c4d7a8f93538b83b5 [0,0,0,0,0,2|2,0,0]=4 3842 B19R3.324743 c1cc(c2ncsc2c1)CNCC[C@@H]3CCO3 a96a89bbeeeee7d6af9d702b63576980 [0,0,0,0,0,2|2,0,0]=4 3843 B19R3.324743 c1cc(c2occc2c1)CNCCC3CCC3 32b75b495d2c1a6d15141726a4622e64 [0,0,0,0,0,2|0,1,0]=3 3844 B19R3.324743 c1cc(c2occc2c1)CNCCC3CCO3 a3d7966938e9b0a36cb532f178682da0 [0,0,0,0,0,2|0,1,0]=3 3845 B19R3.324743 c1cc(c2occc2c1)CNCCC3COC3 fb5a50252bfeb0560e815e914963f8b6 [0,0,0,0,0,2|0,1,0]=3 3846 B19R3.324743 c1cc(c2occc2c1)COCCC3CCC3 33c8f82cb921a1fd9c8c947b57568675 [0,0,0,0,0,2|1,1,0]=4 3847 B19R3.324743 c1cc(c2occc2c1)COCCC3CCO3 a5b1a4b8c26c7eb28aed67bc7eb16561 [0,0,0,0,0,2|1,1,0]=4 3848 B19R3.324743 c1cc(c2occc2c1)COCCC3COC3 7ab62a1282b9ac06b79a62a66986c566 [0,0,0,0,0,2|1,1,0]=4 3849 B19R3.324743 c1cc(c2ocnc2c1)CNCCC3CCC3 9c872a17ca0c3268877cc99f77621abf [0,0,0,0,0,2|1,1,0]=4 3850 B19R3.324743 c1cc(c2ocnc2c1)CNCCC3CCO3 c0915bbef8e2f078ecce86e1feabaa05 [0,0,0,0,0,2|1,1,0]=4 3851 B19R3.324743 c1cc(c2ocnc2c1)CNCCC3COC3 bf367fa4751c48648c0230092bd81fa7 [0,0,0,0,0,2|1,1,0]=4 3852 B19R3.324743 c1cc(c2ocnc2c1)CNCC[C@@H]3CCO3 4fca963f22a65e770bc4913c04a15775 [0,0,0,0,0,2|1,1,0]=4 3853 B19R3.324743 c1cc(c2sccc2c1)CNCCC3CCC3 b38dd84a28ca28abc838583be8b657af [0,0,0,0,0,2|0,0,0]=2 3854 B19R3.324743 c1cc(c2sccc2c1)CNCCC3CCO3 51bf5ea259ebbf3775571f9b74b88240 [0,0,0,0,0,2|0,0,0]=2 3855 B19R3.324743 c1cc(c2sccc2c1)CNCCC3COC3 edc1e221bfb451e85a1f829d5b5971e7 [0,0,0,0,0,2|0,0,0]=2 3856 B19R3.324743 c1cc(c2sccc2c1)CNCCN3CCC3 5dbaa8169bbf2d7c8d01eae99602ed67 [0,0,0,0,0,2|1,0,0]=3 3857 B19R3.324743 c1cc(c2sccc2c1)CNCC[C@@H]3CCO3 5eccb799cecd63592464ef9907845ed4 [0,0,0,0,0,2|0,0,0]=2 3858 B19R3.324743 c1cc(c2sccc2c1)COCCC3CCC3 315dd32a5966375708dae93613b6444d [0,0,0,0,0,2|1,0,0]=3 3859 B19R3.324743 c1cc(c2sccc2c1)COCCC3CCO3 14813e928b0435e9321acd4f588cf855 [0,0,0,0,0,2|1,0,0]=3 3860 B19R3.324743 c1cc(c2sccc2c1)COCCC3COC3 7bb53f1c542507548facbb9214126d15 [0,0,0,0,0,2|1,0,0]=3 3861 B19R3.324743 c1cc(c2sccc2c1)COCCN3CCC3 6b3fce7633fd3997ad47324c0f061e06 [0,0,0,0,0,2|2,0,0]=4 3862 B19R3.324743 c1cc(c2sccc2c1)COCC[C@@H]3CCO3 21ab5f468ffa9b9c9909ec48d6922ff4 [0,0,0,0,0,2|1,0,0]=3 3863 B19R3.324743 c1cc(c2sccc2c1)COCC[C@H]3CCO3 897224a5e1041fbeaaea00e53293e200 [0,0,0,0,0,2|1,0,0]=3 3864 B19R3.324743 c1cc(c2sccc2c1)NCCCN3CCC3 661c761c8f86c27267045bdab88ca37c [0,0,0,0,0,2|2,0,0]=4 3865 B19R3.324743 c1cc(c2sccc2c1)OCCOC3CCC3 3df081ce86ab9768740b5a202d03474e [0,0,0,0,0,2|2,0,0]=4 3866 B19R3.324743 c1cc(c2scnc2c1)CNCCC3CCC3 2ff5b3750f464f31bff44a9a593645e3 [0,0,0,0,0,2|1,0,0]=3 3867 B19R3.324743 c1cc(c2scnc2c1)CNCCC3CCO3 2303d269f73582b079b346fe70c04f44 [0,0,0,0,0,2|1,0,0]=3 3868 B19R3.324743 c1cc(c2scnc2c1)CNCCC3COC3 16b52559b06495b06a43ded10a6f42e2 [0,0,0,0,0,2|1,0,0]=3 3869 B19R3.324743 c1cc(c2scnc2c1)CNCCN3CCC3 659da20f52964e29a88b59d04a9f19a0 [0,0,0,0,0,2|2,0,0]=4 3870 B19R3.324743 c1cc(c2scnc2c1)CNCC[C@@H]3CCO3 9a623a48a1c45e79430371c0490bb43a [0,0,0,0,0,2|1,0,0]=3 3871 B19R3.324743 c1cc(c2scnc2c1)COCCC3CCC3 fa469a5c50ba9abec924a8ca5e22d1fb [0,0,0,0,0,2|2,0,0]=4 3872 B19R3.324743 c1cc(c2scnc2c1)COCCC3CCO3 151f11d084bce4ffc2b310a49f4a91ff [0,0,0,0,0,2|2,0,0]=4 3873 B19R3.324743 c1cc(c2scnc2c1)COCCC3COC3 d3b1fc68ec539b62c2a7918dd77f95c1 [0,0,0,0,0,2|2,0,0]=4 3874 B19R3.324743 c1cc(c2scnc2c1)COCC[C@@H]3CCO3 ffe718fdd9790b75bfa596f061a292c0 [0,0,0,0,0,2|2,0,0]=4 3875 B19R3.324743 c1cc(c2scnc2c1)COCC[C@H]3CCO3 e76cb79aede04650af16fe9c1836f068 [0,0,0,0,0,2|2,0,0]=4 3876 B19R3.324743 c1cc(n2nccc2c1)CNCCC3CCC3 3f623475e4587eb02a1929077f265209 [0,0,0,0,0,2|2,0,0]=4 3877 B19R3.324743 c1cc(n2nccc2c1)CNCCC3CCO3 979e4c2d4951f3f1ee1e358e6e48499f [0,0,0,0,0,2|2,0,0]=4 3878 B19R3.324743 c1cc(n2nccc2c1)CNCCC3COC3 008aa751d6b235ad9d2d7a869d145f12 [0,0,0,0,0,2|2,0,0]=4 3879 B19R3.324743 c1cc(n2nccc2c1)CNCC[C@@H]3CCO3 27613516d545388734f30b8ff855a05b [0,0,0,0,0,2|2,0,0]=4 3880 B19R3.1796376 C(#CC1CC1)CNCc2cccn3c2ncc3 17fdf65a2df89dc117a715fec4b544a2 [0,0,0,0,0,2|2,0,0]=4 3881 B19R3.1796376 C(#CC1CC1)COCc2cccc3c2scc3 acc80c3d58824df5643e363cc0fcbfc7 [0,0,0,0,0,2|1,0,0]=3 3882 B19R3.1796376 C(#CC1CC1)COCc2cccc3c2scn3 6fb3ca1cb226ea655fca70815dd8ffae [0,0,0,0,0,2|2,0,0]=4 3883 B19R3.1796376 C(=C/C1CC1)\COCc2cccc3c2scc3 eb4065c19a37259adeb1d9f403a490ec [0,0,0,0,0,2|1,0,0]=3 3884 B19R3.1796376 C(=C/C1CC1)\COCc2cccc3c2scn3 70624ebb21d091fc4af274c26b936878 [0,0,0,0,0,2|2,0,0]=4 3885 B19R3.1796376 C(=C1CC1)CCCOc2cccc3c2scc3 df1bfb1898f01ad36e20b9c6aa9a0fff [0,0,0,0,0,2|1,0,1]=4 3886 B19R3.1796376 c1cc(c2[nH]ccc2c1)CCCNCC3CC3 a5d6c039b465472a7db2a9d0d140f0b4 [0,0,0,0,0,2|1,0,0]=3 3887 B19R3.1796376 c1cc(c2[nH]ccc2c1)CNCCOC3CC3 085930fd7fe5da18826fab1bb8f4b0c1 [0,0,0,0,0,2|1,0,0]=3 3888 B19R3.1796376 c1cc(c2[nH]ccc2c1)COCCOC3CC3 391c639084ba898a180dcfc1a1693e95 [0,0,0,0,0,2|2,0,0]=4 3889 B19R3.1796376 c1cc(c2[nH]ncc2c1)CNCCOC3CC3 5ec2691027c8abaa51bd1bd620af71fe [0,0,0,0,0,2|2,0,0]=4 3890 B19R3.1796376 c1cc(c2cc[nH]c2c1)CCNCCC3CC3 eb03502fff3aaa1666be05d336f03904 [0,0,0,0,0,2|2,0,0]=4 3891 B19R3.1796376 c1cc(c2cc[nH]c2c1)CNCCOC3CC3 635f48b7d94ed499f73bc2647c6569fa [0,0,0,0,0,2|2,0,0]=4 3892 B19R3.1796376 c1cc(c2ccsc2c1)CNCCOC3CC3 7845146eeb5e53fa24feb8d05838a83c [0,0,0,0,0,2|2,0,0]=4 3893 B19R3.1796376 c1cc(c2nccn2c1)CNCCOC3CC3 1e72fed3bff6b4e7432b7f317199f550 [0,0,0,0,0,2|2,0,0]=4 3894 B19R3.1796376 c1cc(c2ncoc2c1)CNCCOC3CC3 a523ef0cf257a37d71ade07615484a76 [0,0,0,0,0,2|2,0,0]=4 3895 B19R3.1796376 c1cc(c2ncsc2c1)CNCCOC3CC3 989767d8bb766cba588936875fb454be [0,0,0,0,0,2|2,0,0]=4 3896 B19R3.1796376 c1cc(c2occc2c1)CNCCOC3CC3 0083d17e64aa403f3be1faf34104185a [0,0,0,0,0,2|0,1,0]=3 3897 B19R3.1796376 c1cc(c2occc2c1)COCCOC3CC3 88f994ce67e4b7e7b81c6b99debe33d7 [0,0,0,0,0,2|1,1,0]=4 3898 B19R3.1796376 c1cc(c2ocnc2c1)CNCCOC3CC3 c25e07879cdb2971e514948ed23f90fe [0,0,0,0,0,2|1,1,0]=4 3899 B19R3.1796376 c1cc(c2sccc2c1)CNCCOC3CC3 5819a37249607d5f9a9e9889ddadbcfe [0,0,0,0,0,2|0,0,0]=2 3900 B19R3.1796376 c1cc(c2sccc2c1)COCCCC3CC3 57fb6aa767d39c71a8bb51a7dada00c3 [0,0,0,0,0,2|1,0,0]=3 3901 B19R3.1796376 c1cc(c2sccc2c1)COCCOC3CC3 5c5d04b80b73e533929e27686c465a35 [0,0,0,0,0,2|1,0,0]=3 3902 B19R3.1796376 c1cc(c2scnc2c1)CNCCOC3CC3 cb450dc295a5ad3299afae7f14c04092 [0,0,0,0,0,2|1,0,0]=3 3903 B19R3.1796376 c1cc(c2scnc2c1)COCCOC3CC3 e9887952d9ee513d620ee22ee532da62 [0,0,0,0,0,2|2,0,0]=4 3904 B19R3.1796376 c1cc(n2nccc2c1)CNCCOC3CC3 7344399774f71d8bb4540520af6c6f31 [0,0,0,0,0,2|2,0,0]=4