0 B27R3.25826899 C=CCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 134afd632f8080c6f96d345428c97610 [0,0,0,0,0,0|2,0,1]=3 1 B27R3.25826899 C=COCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 cdcada821b752b58686ef77dc679cc16 [0,0,0,0,0,0|3,0,1]=4 2 B27R3.25826899 CCCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 9b4953a9fce99ba0a01b78eff92e1fc2 [0,0,0,0,0,0|2,0,0]=2 3 B27R3.25826899 CCOCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 2d4903f9c711f5ae72775214d48140f6 [0,0,0,0,0,0|3,0,0]=3 4 B27R3.25826899 CCSCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 cdd8cd0a7fcaf231678dbd7dfb092fe8 [0,0,0,0,0,0|3,0,0]=3 5 B27R3.25826899 COCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 82e5f2f5a629d873f085be24268892cc [0,0,0,0,0,0|1,0,0]=1 6 B27R3.25826899 CSCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 ba086fd8d75a7f4c7ee8d341a7ae3fbc [0,0,0,0,0,0|1,1,0]=2 7 B27R3.25826899 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCCl 1d17c3931cc18324b7c1cca5d78d3548 [0,0,0,0,0,0|3,0,0]=3 8 B27R3.25826899 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCO 7102c53346a69d294f856fa3a35d352e [0,0,0,0,0,0|3,0,0]=3 9 B27R3.25826899 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCS a6c76090fe6e435347ec754e8a596e21 [0,0,0,0,0,0|3,0,0]=3 10 B26R3.21625408 COCCCOc1ccnc(c1)N[C@H](C)c2nc3ccccc3[nH]2 27a7554508b3c2107828c0933b39fddc [1,0,0,0,0,0|3,0,0]=4 11 B26R3.68648172 C=CCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 17189d46b6b8c9c958ec77bd03f689ce [1,0,0,0,0,0|1,0,2]=4 12 B26R3.68648172 CC=CCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 99ae7d830a1c72e4b8c691fd84572b36 [1,0,0,0,0,0|1,0,2]=4 13 B26R3.68648172 CCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 13faa61b6fad724cfc589cdb2583127e [1,0,0,0,0,0|1,0,0]=2 14 B26R3.68648172 COCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 181e9eea0a057727754241f8f45a2afe [1,0,0,0,0,0|1,0,0]=2 15 B26R3.68648172 CSCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 9d88977cc386f8b060efd9bb6cbae543 [1,0,0,0,0,0|1,1,0]=3 16 B26R3.68648172 Cc1c(ccnc1CN(C)c2nc3ccccc3[nH]2)OCCCO 7f581e2bb48237b95e600109c63095c0 [1,0,0,0,0,0|2,0,0]=3 17 B26R3.68648172 Cc1c(ccnc1CN(C)c2nc3ccccc3o2)OCCCO 1cac9553c4aa53830847c5cd90474f36 [1,0,0,0,0,0|3,0,0]=4 18 B26R3.68648172 Cc1c(ccnc1CN(C)c2nc3ccccc3s2)OCCCO 0c09c42d4d12379f06739b84a2f3b0a9 [1,0,0,0,0,0|3,0,0]=4 19 B26R3.68648172 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCl 33735d1d321a8e41aa0b23f16f0376d2 [1,0,0,0,0,0|2,0,0]=3 20 B26R3.68648172 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCO 3e2de9821eeb18e2968ea1132a3383c2 [1,0,0,0,0,0|1,0,0]=2 21 B26R3.68648172 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCON 9a729a74f0a83652e964d5597e6490aa [1,0,0,0,0,0|2,0,0]=3 22 B28R3.8905669 C=CCCCN(C)c1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 9eebd2877af3a23d072b459815d4bcba [0,1,0,0,0,0|2,0,1]=4 23 B28R3.301595416 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCC(C)C 57ad501a4521b2babb966532b3ad547e [0,1,0,0,0,0|2,0,0]=3 24 B28R3.301595416 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCN(C)C 744279ea2d3de60575e10d10d593d8cc [0,1,0,0,0,0|2,0,0]=3 25 B28R3.301595416 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCS(=O)C 2c77d84c7eac3057ff76db702e97051e [0,1,0,0,0,0|1,1,0]=3 26 B28R3.505070398 C=CCC(O)CNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 625016855d6b954504656b28daf493f3 [0,1,0,0,0,0|2,0,1]=4 27 B28R3.505070398 CCOC(C)CNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 6f4c07307be32fa69aef50873b92f8b5 [0,1,0,0,0,0|3,0,0]=4 28 B28R3.602048319 C=CCCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 70002a5d33d28091fbc3edf86d892157 [0,1,0,0,0,0|2,0,1]=4 29 B28R3.602048319 C=COCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 2dff09e24ceb0924f3748e7a9dcc90e8 [0,1,0,0,0,0|1,0,1]=3 30 B28R3.602048319 CCCCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 6f4e3d6897001128f37012ffdb1a5299 [0,1,0,0,0,0|2,0,0]=3 31 B28R3.602048319 CCCOCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 8a5c8677554f94a687962ef911f28358 [0,1,0,0,0,0|2,0,0]=3 32 B28R3.602048319 CCOCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 d089d8a0576dbc90b6db8bb13891d053 [0,1,0,0,0,0|1,0,0]=2 33 B28R3.602048319 COCCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 bcfbfa379b6e439b6e367b95be58d0cf [0,1,0,0,0,0|1,0,0]=2 34 B28R3.602048319 CSCCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 40903fb8b8182d7e63c6f1c141280cdf [0,1,0,0,0,0|1,1,0]=3 35 B28R3.602048319 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCC#N c546508ba411b09107efab0b31a27806 [0,1,0,0,0,0|2,0,1]=4 36 B28R3.602048319 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCCCl 9cf5e63fa52b40a0198320eecb2f8954 [0,1,0,0,0,0|2,0,0]=3 37 B28R3.602048319 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCCO ee0f099d293e45f2d27f3b26c90b2819 [0,1,0,0,0,0|2,0,0]=3 38 B28R3.602048319 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCOCCO ef3d5e051babcf9ae4bd366f4b9ad57e [0,1,0,0,0,0|3,0,0]=4 39 B28R3.602048319 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCOCCS eead0e8b90c0da7266c8e9fbe3e8b514 [0,1,0,0,0,0|3,0,0]=4 40 B28R3.602048319 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCSCCO 34f89bb7a642c4977c4319dd0a1fbfe2 [0,1,0,0,0,0|3,0,0]=4 41 B28R4.25683968 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NC4CCC4F cd5933dd49b169d8dc8eee586ed4fa8a [0,0,0,1,0,0|3,0,0]=4 42 B28R4.25683968 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NC4COC4C 10ff0b42bc2477363fbb43259604dcd0 [0,0,0,1,0,0|3,0,0]=4 43 B28R4.25683968 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)N[C@@H]4CC[C@H]4C b65bce4450ac3c801211533b70576bff [0,0,0,1,0,0|2,0,0]=3 44 B28R4.25683968 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)N[C@H]4CC[C@H]4C 35cf54e6e5afef78b2af472aa826752e [0,0,0,1,0,0|2,0,0]=3 45 B28R4.513886960 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCN4CC4 768942cd460cac0d66f3d544502d78fa [0,0,0,1,0,0|3,0,0]=4 46 B25R3.1728292 Cc1c(ccnc1CNc2nc3ccccc3[nH]2)OCCCO 16cd532ea0735668f814710dda54d9af [2,0,0,0,0,0|1,0,0]=3 47 B25R3.1728292 Cc1c(ccnc1CNc2nc3ccccc3o2)OCCCO b94db14baa6884a61d5a1be8765c9e31 [2,0,0,0,0,0|2,0,0]=4 48 B25R3.1728292 Cc1c(ccnc1CNc2nc3ccccc3s2)OCCCO c609379bb8a5f324b0abc5905f44095b [2,0,0,0,0,0|2,0,0]=4 49 B25R3.1728292 Cc1c(ccnc1CNc2nc3cnccc3[nH]2)OCCCO 862bbc6113e53c05be9cdf93df108e38 [2,0,0,0,0,0|2,0,0]=4 50 B25R3.1728292 Cc1c(ccnc1CNc2nc3ncccc3[nH]2)OCCCO a9d7e8f71446b1c5812568df07a6e201 [2,0,0,0,0,0|2,0,0]=4 51 B25R3.2867559 COCCCOc1cccc(c1)CNc2nc3ccccc3[nH]2 2087eee0c190a27d7bcf5381bb875af3 [2,0,0,0,0,0|2,0,0]=4 52 B25R3.2867559 COCCCOc1ccnc(c1)NCc2nc3ccccc3[nH]2 7d3182fb6295bf4ead6dab03c16c909b [2,0,0,0,0,0|2,0,0]=4 53 B27R3.1475474 Cc1c(ccnc1CN(C)c2nc3ccccc3n2C)OCCCO ab80bc1372fa032c184b096ac328025f [1,1,0,0,0,0|2,0,0]=4 54 B27R3.66468401 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCC(F)CO 94ad2b49f10363cc3eccb79afcb5b812 [1,1,0,0,0,0|1,0,0]=3 55 B27R3.66468401 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NC[C@@H](F)CO 8c9cc2c7987ac43b263b6679660f5f9b [1,1,0,0,0,0|1,0,0]=3 56 B27R3.66468401 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NC[C@H](F)CO b68e4601a4f20cf44549597acccdf33b [1,1,0,0,0,0|1,0,0]=3 57 B27R3.202307812 C=C(C)CCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 bca0aa1f431fdb848f0b169285ea5122 [1,1,0,0,0,0|1,0,1]=4 58 B27R3.202307812 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCS(=O)C cccb2a0d13eb70974d4918d6d1d1e8a0 [1,1,0,0,0,0|1,1,0]=4 59 B27R3.453767012 CCN(Cc1nccc(c1C)OCCCO)c2nc3ccccc3[nH]2 bf2eaf5c77135dd310dd963f2a9a38e8 [1,1,0,0,0,0|2,0,0]=4 60 B29R3.950995867 CCN(C)CCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 37376ef281417bfc17002f97c23b3996 [0,2,0,0,0,0|2,0,0]=4 61 B29R3.950995867 COC(=O)CCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 d34a03623e4c616e0aa319250099623d [0,2,0,0,0,0|1,0,0]=3 62 B29R3.3539560059 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCC(C)(C)C bacdaff07b1ef4ea3baf3b23fd7acff5 [0,2,0,0,0,0|2,0,0]=4 63 B29R3.3539560059 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCC(C)(C)O cafc48b4cc60c21c39eabb5c2bf012c3 [0,2,0,0,0,0|2,0,0]=4 64 B29R3.1110223060 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NC[C@H](C)CCCO ff80839561eac57b3b24f71b46b49c6a [0,2,0,0,0,0|2,0,0]=4 65 B29R3.269617687 CC(=O)NCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 184238210bb43839d019a3a6c895dbd8 [0,2,0,0,0,0|2,0,0]=4 66 B29R3.269617687 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCC(F)F 6de7b56e8c4b84229c26663070b5746e [0,2,0,0,0,0|2,0,0]=4 67 B29R3.269617687 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCN(C)C c1b924a378941871aa84d0a00df56c3c [0,2,0,0,0,0|2,0,0]=4 68 B29R3.269617687 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCOC(C)C 7694d04e4d0cd6b67d7aee5c0fd02b6a [0,2,0,0,0,0|1,0,0]=3 69 B29R3.269617687 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCOC(F)F bb68a857b05ffe8684bd578a9bde1c02 [0,2,0,0,0,0|1,0,0]=3 70 B29R3.269617687 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCSC(C)C a9da8a700f048ca3f9b58af551b395ff [0,2,0,0,0,0|1,1,0]=4 71 B29R3.1089259691 C=CCCCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 c2decc1edf97046c12ce11d18f54b5bb [0,2,0,0,0,0|2,0,0]=4 72 B29R3.1089259691 CCCCCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 a5fecc5eff8717e5a82d676c462369b0 [0,2,0,0,0,0|2,0,0]=4 73 B29R3.1089259691 CCCCOCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 a26e82111eaf975d385dba990e4b3948 [0,2,0,0,0,0|2,0,0]=4 74 B29R3.1089259691 CCCOCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 2449a6a0146eee91af22d1d68bd28281 [0,2,0,0,0,0|1,0,0]=3 75 B29R3.1089259691 CCSCCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 fa2545e7009ebdcea10f865e1e159b7c [0,2,0,0,0,0|1,1,0]=4 76 B29R3.1089259691 COCCCCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 6ad84bb3e36dd4f35850a79bb60ccb89 [0,2,0,0,0,0|1,0,0]=3 77 B29R3.1089259691 COCCOCCNc1ccnc(c1C)CS(=O)c2nc3ccccc3[nH]2 4db6bfffc263f6ea9942d3d922d4c5e0 [0,2,0,0,0,0|1,0,0]=3 78 B29R3.1089259691 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCCC#N 02d12beaccdd7b34c0e6a282b715c66c [0,2,0,0,0,0|2,0,0]=4 79 B29R3.1089259691 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCCCCl 1e4e08884dd885105756815329c7a9e8 [0,2,0,0,0,0|2,0,0]=4 80 B29R3.1089259691 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCCCCO 41aaa63099ecb8a859e7f151787f0305 [0,2,0,0,0,0|2,0,0]=4 81 B29R3.1089259691 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCCOCCO 6531148cecad94adf97fa2b657dc190a [0,2,0,0,0,0|1,0,0]=3 82 B29R3.1089259691 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCOCCCO ab398f8d69e88bbeb2fa459c23b98705 [0,2,0,0,0,0|2,0,0]=4 83 B29R3.1089259691 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCOCCON e1ee0375c61c2e6456e753fc933cc789 [0,2,0,0,0,0|2,0,0]=4 84 B27R4.17892576 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NC4CC4C 8d7f6e2f93e3688145ab839b2b116f3a [1,0,0,1,0,0|1,0,0]=3 85 B27R4.17892576 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)N[C@@H]4C[C@H]4F 160c8af6add39c553f127138f57c3f77 [1,0,0,1,0,0|2,0,0]=4 86 B27R4.17892576 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)N[C@H]4C[C@@H]4F e5daa2f20e588c35bd97aa906845bf5b [1,0,0,1,0,0|2,0,0]=4 87 B27R4.17892576 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)N[C@H]4C[C@H]4F f154a79cd5c671f4c618f290488a7c2e [1,0,0,1,0,0|2,0,0]=4 88 B29R4.1676747784 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)NCCOC4CC4 cf9b321df98459d520f6548bf9874321 [0,1,0,1,0,0|2,0,0]=4 89 B29R4.53771771 Cc1c(ccnc1CS(=O)c2nc3ccccc3[nH]2)N[C@H]4COC[C@H]4F b287dc0d42fe47ef95e84ae45d37bf5d [0,1,0,1,0,0|1,0,0]=3 90 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3ccccc3[nH]2 7a2ce09f17fb75cf2990d0425cc1cb3e [1,0,0,0,0,1|0,1,0]=3 91 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3ccccc3o2 8ac8f9ce8025bca05c371a919d3619f0 [1,0,0,0,0,1|1,1,0]=4 92 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3ccccc3s2 1dd96c9dd757e8dfaf07ac805dc4ee96 [1,0,0,0,0,1|1,1,0]=4 93 B27R3.3560015 COCCCOc1ccnc(c1C)COCc2nc3cccnc3[nH]2 b6055e12bd7b1ad1ea2b825cda4dbb54 [1,0,0,0,0,1|1,1,0]=4 94 B27R3.76372586 Cc1c(ccnc1CN[C@H](C)c2nc3ccccc3[nH]2)OCCCO c45b983496265f4695faaa51782ddc2c [1,0,0,0,0,1|2,0,0]=4 95 B27R3.76380363 Cc1c(ccnc1CN(C)Cc2nc3ccccc3[nH]2)OCCCO 87d344fe7b8e2874a782afc14c8e6129 [1,0,0,0,0,1|2,0,0]=4 96 B29R3.53962771 COCCCOc1ccnc(c1C)COCC(=O)c2nc3ccccc3s2 c7203bbc93c9e43d5f8842efc82e9612 [0,0,0,0,0,2|2,0,0]=4