0 B18R2.2431 C=CCNCC(c1ccccc1)N2CCCC2 637fe48d0fc57dd650f545c6687a4232 [0,0,1,0,0,0|1,0,2]=4 1 B18R2.2431 CCCCCN(c1ccccc1)C2CCCC2 ea78aa45ff7e6d10215199cc94ac4632 [0,0,1,0,0,0|2,0,0]=3 2 B18R2.2431 CCCCNC(c1ccccc1)C2CCCC2 129bfc4b3423bb3ba1860310de95f883 [0,0,1,0,0,0|2,0,0]=3 3 B18R2.2431 CCCCNC(c1ccccn1)C2CCCC2 5e5aee3d80a965b62f3d7230ae376df1 [0,0,1,0,0,0|3,0,0]=4 4 B18R2.2431 CCCCOC(c1ccccc1)C2CCCC2 ad2396a10ead755fd5efc4827163208a [0,0,1,0,0,0|2,0,0]=3 5 B18R2.2431 CCCCOC(c1ccccc1)C2CCOC2 8d1531b79b378ed9996cee4812d14244 [0,0,1,0,0,0|3,0,0]=4 6 B18R2.2431 CCCCOC(c1cccnc1)C2CCCC2 a5ea96f332c807e4b303069e78588f66 [0,0,1,0,0,0|3,0,0]=4 7 B18R2.2431 CCCNCC(c1ccccc1)C2CCCC2 a124fc43ce1102c2eb2cf302b7f95c3e [0,0,1,0,0,0|2,0,0]=3 8 B18R2.2431 CCCNCC(c1cccnc1)N2CCCC2 60322aa74b6866b1bedc35f0471cd3e4 [0,0,1,0,0,0|2,0,0]=3 9 B18R2.2431 CCCOCC(c1ccccc1)C2CCCC2 651c7245ab8ab18e853589144f953766 [0,0,1,0,0,0|2,0,0]=3 10 B18R2.2431 CCOCCN(c1ccccc1)C2CCCC2 916fa44ff5778e4737849c9c6eab3ca8 [0,0,1,0,0,0|3,0,0]=4 11 B18R2.2431 CCOCNC(c1ccccc1)C2CCCC2 6eddf1aeb7428bc044c1945f21e2c360 [0,0,1,0,0,0|3,0,0]=4 12 B18R2.2431 CCSCCN(c1ccccc1)C2CCCC2 c3fc22df815a404dde1ba699a8916cf0 [0,0,1,0,0,0|3,0,0]=4 13 B18R2.2431 COCCCN(c1ccccc1)C2CCCC2 85035b56ec2f5c3446a80a688f234d43 [0,0,1,0,0,0|3,0,0]=4 14 B18R2.2431 COCCNC(c1ccccc1)C2CCCC2 6cf0af8b2fbf0bfe336b1ea9dc7188be [0,0,1,0,0,0|3,0,0]=4 15 B18R2.2431 COCCOC(c1ccccc1)C2CCCC2 6ebfdf2a42ae84daca5010beef8cb211 [0,0,1,0,0,0|3,0,0]=4 16 B18R2.2431 COCNCC(c1ccccc1)C2CCCC2 7b5201c672ef53209312eb757ecfbfad [0,0,1,0,0,0|3,0,0]=4 17 B18R2.2431 COCNCC(c1cccnc1)N2CCCC2 74a23901357cfd3fbf1a46d028fa77d9 [0,0,1,0,0,0|3,0,0]=4 18 B18R2.2431 COCOCC(c1ccccc1)C2CCCC2 72374802e515289a512ef7a023baee73 [0,0,1,0,0,0|3,0,0]=4 19 B18R2.2431 CSCCCN(c1ccccc1)C2CCCC2 0f6bc85a2f5bef4d5b77abcf1d21cc35 [0,0,1,0,0,0|3,0,0]=4 20 B18R2.2431 CSCCNC(c1ccccc1)C2CCCC2 5b7acb21331c697a8039f6b484d14483 [0,0,1,0,0,0|3,0,0]=4 21 B18R2.2431 CSCCOC(c1ccccc1)C2CCCC2 e26e90cae773864d730f253761c1f71e [0,0,1,0,0,0|3,0,0]=4 22 B18R2.2431 CSCNCC(c1ccccc1)C2CCCC2 d36dd94eafcaf4f305d0ef4400eeb2aa [0,0,1,0,0,0|3,0,0]=4 23 B18R2.2431 CSCNCC(c1cccnc1)N2CCCC2 82dd9a6ba658abe1d31fe3c4debc23d9 [0,0,1,0,0,0|3,0,0]=4 24 B18R2.2431 CSCOCC(c1ccccc1)C2CCCC2 e759dcbe1370642374eeb8a931cae6f4 [0,0,1,0,0,0|3,0,0]=4 25 B18R2.2431 FCCCCN(c1ccccc1)C2CCCC2 3dccecae5c94fee0544484180f0f1754 [0,0,1,0,0,0|3,0,0]=4 26 B18R2.2431 FCCCNC(c1ccccc1)C2CCCC2 a8cca9d7273cdf40b5d9f14683f083d0 [0,0,1,0,0,0|3,0,0]=4 27 B18R2.2431 FCCCOC(c1ccccc1)C2CCCC2 47f691518cd864aedb14d13de1033191 [0,0,1,0,0,0|3,0,0]=4 28 B18R2.2431 FCCNCC(c1ccccc1)C2CCCC2 4260e4ea10975f1f780cc63247ad24ab [0,0,1,0,0,0|3,0,0]=4 29 B18R2.2431 FCCNCC(c1cccnc1)N2CCCC2 3f09057a48c2b668af36b6a314a72580 [0,0,1,0,0,0|3,0,0]=4 30 B18R2.2431 FCCOCC(c1ccccc1)C2CCCC2 1135b31fd299467bbdc6d7c5a09cccc1 [0,0,1,0,0,0|3,0,0]=4 31 B18R2.2431 O=CCNCC(c1ccccc1)N2CCCC2 eca4119c4cd82be9069ee845fb26ecdd [0,0,1,0,0,0|2,0,1]=4 32 B18R2.2431 OCCCCN(c1ccccc1)C2CCCC2 376f7131d0778a1d0a5230620f4c9884 [0,0,1,0,0,0|3,0,0]=4 33 B18R2.2431 OCCCNC(c1ccccc1)C2CCCC2 5e47b282e5f1e6a980a58d615989c643 [0,0,1,0,0,0|3,0,0]=4 34 B18R2.2431 OCCNCC(c1ccccc1)C2CCCC2 b5947956e8c50c30aa7626947c701cd3 [0,0,1,0,0,0|3,0,0]=4 35 B18R2.2431 OCCNCC(c1cccnc1)N2CCCC2 72cf8a4c806dc4aa13690f45786e5142 [0,0,1,0,0,0|3,0,0]=4 36 B18R2.2431 SCCCNC(c1ccccc1)C2CCCC2 ba634f7b99ef454121510133e0519226 [0,0,1,0,0,0|3,0,0]=4 37 B18R2.2431 SCCCOC(c1ccccc1)C2CCCC2 45b0047b54f84913edaaaba284308585 [0,0,1,0,0,0|3,0,0]=4 38 B18R2.2431 SCCNCC(c1ccccc1)C2CCCC2 29630913b3532532d630200d325dc660 [0,0,1,0,0,0|3,0,0]=4 39 B18R2.2431 SCCNCC(c1cccnc1)N2CCCC2 bf70291351b773701ecad6589bd25db0 [0,0,1,0,0,0|3,0,0]=4 40 B18R2.2431 SCCOCC(c1ccccc1)C2CCCC2 0f6492833e46c47d90f90045399904eb [0,0,1,0,0,0|3,0,0]=4 41 B18R2.122518 C#CCCNC1(CCOCC1)c2ccccc2 410cc8fb2eb165118dbb207485355993 [0,0,1,0,0,0|1,0,2]=4 42 B18R2.122518 C/C=C/CNC1(CCOCC1)c2ccccc2 41d0383056d52e5c8c2467c366376fc9 [0,0,1,0,0,0|1,0,2]=4 43 B18R2.122518 C/C=C/COC1(CCCCC1)c2ccccc2 7153839b2bccb83c92dc7bf54f4e2053 [0,0,1,0,0,0|1,0,2]=4 44 B18R2.122518 C/C=C\CNC1(CCOCC1)c2ccccc2 ad017c1216094c2ad4449f0cfb8cf12a [0,0,1,0,0,0|1,0,2]=4 45 B18R2.122518 C/C=C\COC1(CCCCC1)c2ccccc2 050a846433a4337bdc9248b7890a6fd5 [0,0,1,0,0,0|1,0,2]=4 46 B18R2.122518 C=CCCNC1(CCOCC1)c2ccccc2 456fc967195c4563b1c0c42cea7c8b76 [0,0,1,0,0,0|1,0,2]=4 47 B18R2.122518 C=CCCOC1(CCCCC1)c2ccccc2 8adf575647e714ccc403afc914eccb45 [0,0,1,0,0,0|1,0,2]=4 48 B18R2.122518 CCCCNC1(CCOCC1)c2ccccc2 759407f60920dca97ae688730ad9a4c2 [0,0,1,0,0,0|1,0,0]=2 49 B18R2.122518 CCCCOC1(C=CCCC1)c2ccccc2 34c87d2900e34e694b7367a34f6bf8ef [0,0,1,0,0,0|1,0,2]=4 50 B18R2.122518 CCCCOC1(CCOCC1)c2ccncc2 94f822540f3e885296862bc065859d65 [0,0,1,0,0,0|3,0,0]=4 51 B18R2.122518 CCCNCC1(CCCCC1)c2ccccc2 48f94d9f77f236ea17eacb06291c208a [0,0,1,0,0,0|2,0,0]=3 52 B18R2.122518 CCCNCC1(CCOCC1)c2ccccc2 9ca944cb6f3775bd53104f93a07fe866 [0,0,1,0,0,0|3,0,0]=4 53 B18R2.122518 CCCOCC1(CCCCC1)c2ccccc2 60c4dd665365b7062cd1fa91e4193e64 [0,0,1,0,0,0|2,0,0]=3 54 B18R2.122518 COCCNC1(CCOCC1)c2ccccc2 7a923848d6bb457b39e6f78501ce756b [0,0,1,0,0,0|2,0,0]=3 55 B18R2.122518 COCCOC1(CCCCC1)c2ccccc2 682d6d3cafb6a7583c5cd87cc6b42616 [0,0,1,0,0,0|2,0,0]=3 56 B18R2.122518 COCCOC1(CCCCC1)c2ccncc2 6459b66f31a774cf6eeff28c8ff45058 [0,0,1,0,0,0|3,0,0]=4 57 B18R2.122518 COCCOC1(CCOCC1)c2ccccc2 4a59f988b37c848bac8f2e349d2ed4f5 [0,0,1,0,0,0|3,0,0]=4 58 B18R2.122518 COCCOC1(CCSCC1)c2ccccc2 7399fafc93716aec94c64b022a3d534c [0,0,1,0,0,0|3,0,0]=4 59 B18R2.122518 COCNCC1(CCCCC1)c2ccccc2 0ee2a50b483e0b891b3923d8ec8400e5 [0,0,1,0,0,0|3,0,0]=4 60 B18R2.122518 CSCCNC1(CCOCC1)c2ccccc2 34ded890dd7a3c28061237f366337307 [0,0,1,0,0,0|2,0,0]=3 61 B18R2.122518 CSCCOC1(CCCCC1)c2ccncc2 2f9f7a6028d4dab51c5aa38e0c0366e7 [0,0,1,0,0,0|3,0,0]=4 62 B18R2.122518 CSCCOC1(CCOCC1)c2ccccc2 198294f6e98f7caa8778188f2ae126a2 [0,0,1,0,0,0|3,0,0]=4 63 B18R2.122518 CSCNCC1(CCCCC1)c2ccccc2 3032cd73a52a619bb9f04baa04c17bcd [0,0,1,0,0,0|3,0,0]=4 64 B18R2.122518 CSCOCC1(CCCCC1)c2ccccc2 ed78e7bce6de04bcbba036b74c4c3aa9 [0,0,1,0,0,0|3,0,0]=4 65 B18R2.122518 FCCCNC1(CCOCC1)c2ccccc2 cda2cc1bec6c540f80eced138eeb1f5a [0,0,1,0,0,0|2,0,0]=3 66 B18R2.122518 FCCCOC1(CCOCC1)c2ccccc2 6760a436b6da8702dfe9cb4c53bd8bc6 [0,0,1,0,0,0|3,0,0]=4 67 B18R2.122518 FCCCOC1(CCSCC1)c2ccccc2 268391a35cbb3f3aedac52e4e896ae62 [0,0,1,0,0,0|3,0,0]=4 68 B18R2.122518 FCCNCC1(CCCCC1)c2ccccc2 02fb81f61c3f58161aad128ccde2dd90 [0,0,1,0,0,0|3,0,0]=4 69 B18R2.122518 N#CCCNC1(CCOCC1)c2ccccc2 8fc325785832e9c36445efb351731790 [0,0,1,0,0,0|2,0,1]=4 70 B18R2.122518 O=CCCNC1(CCOCC1)c2ccccc2 d4f45c84522de96595e234a40fc085e4 [0,0,1,0,0,0|2,0,1]=4 71 B18R2.122518 O=CCCOC1(CCCCC1)c2ccccc2 3e958d205b4609a37a9086da1d28d8f3 [0,0,1,0,0,0|2,0,1]=4 72 B18R2.122518 OCCNCC1(CCCCC1)c2ccccc2 451ba370dd03559166e589af47757905 [0,0,1,0,0,0|3,0,0]=4 73 B18R2.122518 SCCNCC1(CCCCC1)c2ccccc2 71c90694111c9735e94f109092e3e779 [0,0,1,0,0,0|3,0,0]=4 74 B18R2.122518 SCCOCC1(CCCCC1)c2ccccc2 eb68701eb0c017d02da3875384b88e54 [0,0,1,0,0,0|3,0,0]=4 75 B17R2.42 CCCCN(c1ccccc1)C2CCCC2 1f2f210df76f0750325f8beb3831872f [1,0,1,0,0,0|2,0,0]=4 76 B17R2.42 CCCNC(c1ccccc1)C2CCCC2 34403933113d18797fe4690c55be3d4f [1,0,1,0,0,0|2,0,0]=4 77 B17R2.42 CCCOC(c1ccccc1)C2CCCC2 2a5453cff6b87eec1e72a0e28af05d26 [1,0,1,0,0,0|2,0,0]=4 78 B17R2.42 CCNCC(c1ccccc1)C2CCCC2 87633e0a9c8cfced229aad366fa17c22 [1,0,1,0,0,0|2,0,0]=4 79 B17R2.42 CCNCC(c1cccnc1)N2CCCC2 e84801197812445087216615d5431059 [1,0,1,0,0,0|2,0,0]=4 80 B17R2.42 CCOCC(c1ccccc1)C2CCCC2 7d4705b81916b9e81d4c6bea388e1d5c [1,0,1,0,0,0|2,0,0]=4 81 B17R2.42 OCNCC(c1ccccc1)N2CCCC2 9550cc2c5aa9f7507d8410d81c2b69d8 [1,0,1,0,0,0|2,0,0]=4 82 B17R2.59819 CCCNC1(CCOCC1)c2ccccc2 c1b7d6ca92d8bb6bd720b3d90eaeee5e [1,0,1,0,0,0|1,0,0]=3 83 B17R2.59819 CCNCC1(CCCCC1)c2ccccc2 157f03b92779f419f574d2b8308eed5c [1,0,1,0,0,0|1,0,0]=3 84 B17R2.59819 CCNCC1(CCOCC1)c2ccccc2 c65992df857501326749d3acc13d48ed [1,0,1,0,0,0|2,0,0]=4 85 B17R2.59819 CCOCC1(CCCCC1)c2ccccc2 6643ef9243cabd05da4f4bef5b08c36f [1,0,1,0,0,0|1,0,0]=3 86 B17R2.59819 COCNC1(CCOCC1)c2ccccc2 2745be9356fd6f1763fe773bceac7e11 [1,0,1,0,0,0|2,0,0]=4 87 B17R2.59819 CSCNC1(CCOCC1)c2ccccc2 d51fe3a65b694ac405ff15f8bc15ff76 [1,0,1,0,0,0|2,0,0]=4 88 B17R2.59819 FCCNC1(CCOCC1)c2ccccc2 eea3e714d32ddfb6f3dbcfe26ab535a0 [1,0,1,0,0,0|2,0,0]=4 89 B17R2.59819 FCNCC1(CCCCC1)c2ccccc2 1b9a706a91e7cdeb9b8c3dcc0b834160 [1,0,1,0,0,0|2,0,0]=4 90 B17R2.59819 FCOCC1(CCCCC1)c2ccccc2 7c1081f3443341f6ddf255c0a4eca669 [1,0,1,0,0,0|2,0,0]=4 91 B17R2.59819 OCCNC1(CCOCC1)c2ccccc2 171f20168bf380b8c33f9caa55cf9231 [1,0,1,0,0,0|2,0,0]=4 92 B17R2.59819 OCNCC1(CCCCC1)c2ccccc2 23434ef3935772de25ba2611efec89d8 [1,0,1,0,0,0|2,0,0]=4 93 B17R2.59819 SCCNC1(CCOCC1)c2ccccc2 3cfa747bfb4f6a014dff954557b1f73a [1,0,1,0,0,0|2,0,0]=4 94 B19R2.2476 CCCCCN(c1ccc(cc1)Cl)C2CCCC2 de0aacf69c7b6ca0947f3d20d065e18d [0,1,1,0,0,0|2,0,0]=4 95 B19R2.2476 CCCCNC(c1ccc(cc1)Cl)C2CCCC2 c59b67524daca9e53d7929b0e15e575e [0,1,1,0,0,0|2,0,0]=4 96 B19R2.2476 CCCCNC(c1ccc(cc1)F)C2CCCC2 a4d9c21ad8ad72f938f4fa9235a14aa2 [0,1,1,0,0,0|2,0,0]=4 97 B19R2.2476 CCCCOC(c1ccc(cc1)F)C2CCCC2 66befde30cd768e711161f6b3bb25879 [0,1,1,0,0,0|2,0,0]=4 98 B19R2.2476 CCCNCC(c1ccc(cc1)C)N2CCCC2 e73dc85ba146a1f768156b854786e672 [0,1,1,0,0,0|1,0,0]=3 99 B19R2.2476 CCCNCC(c1ccc(cc1)Cl)N2CCCC2 0c3a1969c7920b844109cbee6767828d [0,1,1,0,0,0|1,0,0]=3 100 B19R2.2476 CCCNCC(c1ccc(cc1)F)N2CCCC2 fd7f5f5751812cd59d0deda01dc771d3 [0,1,1,0,0,0|1,0,0]=3 101 B19R2.2476 COCNCC(c1ccc(cc1)C)N2CCCC2 b133d8335c889ff14b876c9359813260 [0,1,1,0,0,0|2,0,0]=4 102 B19R2.2476 COCNCC(c1ccc(cc1)Cl)N2CCCC2 b1d72879015e6e6afbf94a76ec8c8907 [0,1,1,0,0,0|2,0,0]=4 103 B19R2.2476 COCNCC(c1ccc(cc1)F)N2CCCC2 dfe7075919de2bb6b90e1fe720d9f007 [0,1,1,0,0,0|2,0,0]=4 104 B19R2.2476 CSCNCC(c1ccc(cc1)C)N2CCCC2 c1b99a4106e303f1759405e4677a6bd6 [0,1,1,0,0,0|2,0,0]=4 105 B19R2.2476 CSCNCC(c1ccc(cc1)Cl)N2CCCC2 ed80e333f1e3c5f8cad8a81b7a53a28f [0,1,1,0,0,0|2,0,0]=4 106 B19R2.2476 CSCNCC(c1ccc(cc1)F)N2CCCC2 0bb7a21832f9c81e93e5055d3a6f404c [0,1,1,0,0,0|2,0,0]=4 107 B19R2.2476 Cc1ccc(cc1)C(CNCCF)N2CCCC2 19b0f9174bea3252742264b3d7551978 [0,1,1,0,0,0|2,0,0]=4 108 B19R2.2476 Cc1ccc(cc1)C(CNCCO)N2CCCC2 2fe21b738bf6f2aa6208bfca22916af2 [0,1,1,0,0,0|2,0,0]=4 109 B19R2.2476 Cc1ccc(cc1)C(CNCCS)N2CCCC2 b22fae9196b11aa03d1e77b78b0c04c1 [0,1,1,0,0,0|2,0,0]=4 110 B19R2.2476 FCCNCC(c1ccc(cc1)Cl)N2CCCC2 d1b2427f5860b2f836778f605fd3c12f [0,1,1,0,0,0|2,0,0]=4 111 B19R2.2476 Fc1ccc(cc1)C(CNCCS)N2CCCC2 41746f246637aee8b0a8cefd9684cac0 [0,1,1,0,0,0|2,0,0]=4 112 B19R2.2476 OCCNCC(c1ccc(cc1)Cl)N2CCCC2 8f146f276d3b0c1b1647ecc34ba60826 [0,1,1,0,0,0|2,0,0]=4 113 B19R2.2476 OCCNCC(c1ccc(cc1)F)N2CCCC2 de4b0b76651d4511e4361d2d053df71e [0,1,1,0,0,0|2,0,0]=4 114 B19R2.2476 SCCNCC(c1ccc(cc1)Cl)N2CCCC2 089c7c33080cc21572b3ccc63083e1b6 [0,1,1,0,0,0|2,0,0]=4 115 B19R2.3972 C=CCCNCC(c1ccccc1)N2CCCC2 9aa79c0a694e501f7a462153ec49c59d [0,1,1,0,0,0|0,0,2]=4 116 B19R2.3972 CCCCCCN(c1ccccc1)C2CCCC2 4fa15fc4e5952389d590db52a94389ae [0,1,1,0,0,0|2,0,0]=4 117 B19R2.3972 CCCCCNC(c1ccccc1)C2CCCC2 2d840daf542208e32627290bccf5ca55 [0,1,1,0,0,0|1,0,0]=3 118 B19R2.3972 CCCCCNC(c1ccccn1)C2CCCC2 0c5cf90a5e907f843e39a1111e222a0c [0,1,1,0,0,0|2,0,0]=4 119 B19R2.3972 CCCCCOC(c1ccccc1)C2CCCC2 73e95a0e4d480bfc51d1611c2bb03263 [0,1,1,0,0,0|1,0,0]=3 120 B19R2.3972 CCCCCOC(c1ccccc1)C2CCOC2 f0543b51ebc4a4aab50087af8ba7d4c8 [0,1,1,0,0,0|2,0,0]=4 121 B19R2.3972 CCCCCOC(c1cccnc1)C2CCCC2 cd19edaea69c4241bef72df0f7b61dac [0,1,1,0,0,0|2,0,0]=4 122 B19R2.3972 CCCCNCC(c1ccccc1)C2CCCC2 d7e703ce281dee55685e5d97484c0d1a [0,1,1,0,0,0|1,0,0]=3 123 B19R2.3972 CCCCNCC(c1cccnc1)N2CCCC2 4861fcb046f4e6d7e1784686c05da263 [0,1,1,0,0,0|1,0,0]=3 124 B19R2.3972 CCCCOCC(c1ccccc1)C2CCCC2 9ee825796dcdd3e9c1b4798b44488ed4 [0,1,1,0,0,0|1,0,0]=3 125 B19R2.3972 CCCCOCN(c1ccccc1)C2CCCC2 5fc4dabdad1a57830958072cb4f4abba [0,1,1,0,0,0|2,0,0]=4 126 B19R2.3972 CCCOCCN(c1ccccc1)C2CCCC2 d8362b362ecba8ce2382a263b2e36e59 [0,1,1,0,0,0|2,0,0]=4 127 B19R2.3972 CCOCCCN(c1ccccc1)C2CCCC2 c9599cda738558b4c3690bb94fd611bb [0,1,1,0,0,0|2,0,0]=4 128 B19R2.3972 CCOCCNC(c1ccccc1)C2CCCC2 67bc4aabc7ea18b8513778dbe37edea9 [0,1,1,0,0,0|2,0,0]=4 129 B19R2.3972 CCOCCOC(c1ccccc1)C2CCCC2 92728bc73e60fc6800ce368a9bc88310 [0,1,1,0,0,0|2,0,0]=4 130 B19R2.3972 CCOCNCC(c1ccccc1)C2CCCC2 a840f920af88daafd3c0220c4216e271 [0,1,1,0,0,0|2,0,0]=4 131 B19R2.3972 CCOCNCC(c1cccnc1)N2CCCC2 8c6aebfb980d14783be319672ab9441f [0,1,1,0,0,0|2,0,0]=4 132 B19R2.3972 CCSCCCN(c1ccccc1)C2CCCC2 ceec739fac6050757b216ca62f74d3db [0,1,1,0,0,0|2,0,0]=4 133 B19R2.3972 CCSCCNC(c1ccccc1)C2CCCC2 dbeb8f58a8801af5d1f6fc4d71e3504c [0,1,1,0,0,0|2,0,0]=4 134 B19R2.3972 CCSCCOC(c1ccccc1)C2CCCC2 e0657697f9e7005c3700ab2d786b34ef [0,1,1,0,0,0|2,0,0]=4 135 B19R2.3972 COCCCCN(c1ccccc1)C2CCCC2 c590405678f16e83a5ba6c2ff29dfd87 [0,1,1,0,0,0|2,0,0]=4 136 B19R2.3972 COCCCNC(c1ccccc1)C2CCCC2 b1c6643db813923350323ad2193b6322 [0,1,1,0,0,0|2,0,0]=4 137 B19R2.3972 COCCCOC(c1ccccc1)C2CCCC2 b4bd25f572225c2d845dd902e1abef88 [0,1,1,0,0,0|2,0,0]=4 138 B19R2.3972 COCCNCC(c1ccccc1)C2CCCC2 97b0856068879f5caf1fe0a0bbe319a2 [0,1,1,0,0,0|2,0,0]=4 139 B19R2.3972 COCCNCC(c1ccccc1)N2CCCC2 db340128494141e1adf55c6b930cbda8 [0,1,1,0,0,0|1,0,0]=3 140 B19R2.3972 COCCNCC(c1cccnc1)N2CCCC2 c1fd49265bad9d4b30d805b436cae024 [0,1,1,0,0,0|2,0,0]=4 141 B19R2.3972 COCCOCC(c1ccccc1)C2CCCC2 4f9220738d79b190f6720cf28756ed48 [0,1,1,0,0,0|2,0,0]=4 142 B19R2.3972 CSCCCNC(c1ccccc1)C2CCCC2 1b05ad47871ee73243e41bce4d3a6c65 [0,1,1,0,0,0|2,0,0]=4 143 B19R2.3972 CSCCCOC(c1ccccc1)C2CCCC2 4163b6dc548af4708c5c0ec0fd48d188 [0,1,1,0,0,0|2,0,0]=4 144 B19R2.3972 CSCCNCC(c1ccccc1)C2CCCC2 5df7b318b9ae02b5323d387045ca5ee8 [0,1,1,0,0,0|2,0,0]=4 145 B19R2.3972 CSCCNCC(c1cccnc1)N2CCCC2 0b5a5e31e126bba630bc323ff61dff46 [0,1,1,0,0,0|2,0,0]=4 146 B19R2.3972 CSCCOCC(c1ccccc1)C2CCCC2 832e1fcab56869f53d729e8126ec6fbe [0,1,1,0,0,0|2,0,0]=4 147 B19R2.3972 FCCCCCN(c1ccccc1)C2CCCC2 33dc0a574e808d9113093e447dbe2b1e [0,1,1,0,0,0|2,0,0]=4 148 B19R2.3972 FCCCCNC(c1ccccc1)C2CCCC2 1e1fdbdfe91634bc05d97277b495b9ce [0,1,1,0,0,0|2,0,0]=4 149 B19R2.3972 FCCCCOC(c1ccccc1)C2CCCC2 16e5382d2ed3b6e991dbb894a12a4af5 [0,1,1,0,0,0|2,0,0]=4 150 B19R2.3972 FCCCNCC(c1ccccc1)C2CCCC2 06607c36fd77d577cfa7574352372260 [0,1,1,0,0,0|2,0,0]=4 151 B19R2.3972 FCCCNCC(c1cccnc1)N2CCCC2 8e7c028dc19f2e63c8ee572776d7bbcd [0,1,1,0,0,0|2,0,0]=4 152 B19R2.3972 FCCCOCC(c1ccccc1)C2CCCC2 a4fe72f9b563564cc093d66553024e0e [0,1,1,0,0,0|2,0,0]=4 153 B19R2.3972 O=CCCNCC(c1ccccc1)N2CCCC2 939255233255e620211f5024a9109dc0 [0,1,1,0,0,0|1,0,1]=4 154 B19R2.3972 OCCCCCN(c1ccccc1)C2CCCC2 d345e8d3a16f740465e774b687cb0422 [0,1,1,0,0,0|2,0,0]=4 155 B19R2.3972 OCCCCNC(c1ccccc1)C2CCCC2 3f78c36e138a740ecb100db7781447ee [0,1,1,0,0,0|2,0,0]=4 156 B19R2.3972 OCCCNCC(c1ccccc1)C2CCCC2 ffc055bb1cb2456fcb21fdb89eaa73b6 [0,1,1,0,0,0|2,0,0]=4 157 B19R2.3972 OCCCNCC(c1cccnc1)N2CCCC2 f46a8eb896596813908fb99cadb36e7b [0,1,1,0,0,0|2,0,0]=4 158 B19R2.3972 SCCCNCC(c1ccccc1)C2CCCC2 9ad8014b4e21b41226d51d7f96c793f4 [0,1,1,0,0,0|2,0,0]=4 159 B19R2.3972 SCCCNCC(c1cccnc1)N2CCCC2 206ffc9528a3ff729bf05453e14f01b5 [0,1,1,0,0,0|2,0,0]=4 160 B19R2.3972 SCCCOCC(c1ccccc1)C2CCCC2 08315a06b58400006c9ac3885476569b [0,1,1,0,0,0|2,0,0]=4 161 B19R2.4649 CCCCC(C)N(c1ccccc1)C2CCCC2 5a309459fbe12463dded69e8bab1b213 [0,1,1,0,0,0|2,0,0]=4 162 B19R2.4649 CCCNC(=O)C(c1ccccc1)N2CCCC2 ced08a28d407963ff2dff5bd06902b9e [0,1,1,0,0,0|1,0,1]=4 163 B19R2.4649 CCCNC(=O)[C@@H](c1ccccc1)N2CCCC2 88cff8053072379de9b698087b01d74c [0,1,1,0,0,0|1,0,1]=4 164 B19R2.8889 CC(C)CCCN(c1ccccc1)C2CCCC2 8e88f56425cca7e02aaa52ed4411c363 [0,1,1,0,0,0|2,0,0]=4 165 B19R2.8889 CC(C)CCNC(c1ccccc1)C2CCCC2 6192c73cc84a9033ec268b3dd9d65826 [0,1,1,0,0,0|2,0,0]=4 166 B19R2.8889 CC(C)CCOC(c1ccccc1)C2CCCC2 1eeb6fd53a6b9023d56e1dd58f5a6921 [0,1,1,0,0,0|2,0,0]=4 167 B19R2.8889 CC(C)CNCC(c1ccccc1)C2CCCC2 6ea176483aa724f446e26decbf3bb59d [0,1,1,0,0,0|2,0,0]=4 168 B19R2.8889 CC(C)CNCC(c1ccccc1)N2CCCC2 551acea5fd30d7464f9c485e85043745 [0,1,1,0,0,0|1,0,0]=3 169 B19R2.8889 CC(C)CNCC(c1cccnc1)N2CCCC2 f324b1185ab722572468b87b84303ef1 [0,1,1,0,0,0|2,0,0]=4 170 B19R2.8889 CC(C)COCC(c1ccccc1)C2CCCC2 9e082e0cee9ba7503a83ca2465e9b82b [0,1,1,0,0,0|2,0,0]=4 171 B19R2.8889 CC(O)CCCN(c1ccccc1)C2CCCC2 0bb1ce94c8e425cef63d1438e9c02c60 [0,1,1,0,0,0|2,0,0]=4 172 B19R2.8889 CC(O)CCNC(c1ccccc1)C2CCCC2 1ed9b55f913b05627422fb225f765719 [0,1,1,0,0,0|2,0,0]=4 173 B19R2.8889 CC(O)CNCC(c1ccccc1)C2CCCC2 f7e89c9afc4372911230e6a8dba0b722 [0,1,1,0,0,0|2,0,0]=4 174 B19R2.8889 CC(O)CNCC(c1ccccc1)N2CCCC2 2d14bb86adc68428f6dbd174c462e9ec [0,1,1,0,0,0|1,0,0]=3 175 B19R2.8889 CC(O)CNCC(c1cccnc1)N2CCCC2 c543676749c6d9873e2054e8697cdf19 [0,1,1,0,0,0|2,0,0]=4 176 B19R2.8889 C[C@@H](O)CNCC(c1ccccc1)C2CCCC2 749b0f131881197d2a43a643dd9d8dbc [0,1,1,0,0,0|2,0,0]=4 177 B19R2.8889 C[C@@H](O)CNCC(c1ccccc1)N2CCCC2 1e64ab330e9b2a85ca1fa40c71bdfe2a [0,1,1,0,0,0|1,0,0]=3 178 B19R2.8889 C[C@@H](O)CNCC(c1cccnc1)N2CCCC2 f4897529afbcf6bc9295b0a43f971874 [0,1,1,0,0,0|2,0,0]=4 179 B19R2.8889 C[C@H](O)CNCC(c1ccccc1)C2CCCC2 f569313f8845df365ff41e6e385f3b11 [0,1,1,0,0,0|2,0,0]=4 180 B19R2.8889 C[C@H](O)CNCC(c1ccccc1)N2CCCC2 c40c75c84d066ebe437ef17e80c5f590 [0,1,1,0,0,0|1,0,0]=3 181 B19R2.8889 C[C@H](O)CNCC(c1cccnc1)N2CCCC2 85007da600cd74a953f72607ad9a1ae7 [0,1,1,0,0,0|2,0,0]=4 182 B19R2.8889 FC(F)CNCC(c1ccccc1)N2CCCC2 fb16ec2dc963b2def883c1d511382a9e [0,1,1,0,0,0|2,0,0]=4 183 B19R2.10860 CCCC(C)CN(c1ccccc1)C2CCCC2 e438fe824d159c3f11403dbacde9933a [0,1,1,0,0,0|2,0,0]=4 184 B19R2.13730 CCC(C)CCN(c1ccccc1)C2CCCC2 b652aaf1b8a64883fd382c346476f258 [0,1,1,0,0,0|2,0,0]=4 185 B19R2.13730 CCC(C)CNC(c1ccccc1)C2CCCC2 4e8a1b8a6787b6c69e0a98c324003600 [0,1,1,0,0,0|2,0,0]=4 186 B19R2.13730 CCC(C)COC(c1ccccc1)C2CCCC2 51daf1de9fd7451dd49b933d6b06e3b2 [0,1,1,0,0,0|2,0,0]=4 187 B19R2.13730 CCC(C)NCC(c1ccccc1)C2CCCC2 79733fab3d39c0709c617c5e56c0fb13 [0,1,1,0,0,0|2,0,0]=4 188 B19R2.13730 CCC(C)NCC(c1cccnc1)N2CCCC2 30a04290e39b51c0cc993027c4710b5d [0,1,1,0,0,0|2,0,0]=4 189 B19R2.13730 CCC(C)OCC(c1ccccc1)C2CCCC2 89e73aeee34cf6c0b800c34832f7369e [0,1,1,0,0,0|2,0,0]=4 190 B19R2.13730 CC[C@@H](C)CNC(c1ccccc1)C2CCCC2 dd2ca64b2cd4ffed792014f399fad83c [0,1,1,0,0,0|2,0,0]=4 191 B19R2.13730 CC[C@@H](C)COC(c1ccccc1)C2CCCC2 193b2830611f0f2155640a752984c1bf [0,1,1,0,0,0|2,0,0]=4 192 B19R2.13730 CC[C@H](C)CNC(c1ccccc1)C2CCCC2 d74e4bc73409996ac20ad62b7ad99655 [0,1,1,0,0,0|2,0,0]=4 193 B19R2.13730 CC[C@H](C)COC(c1ccccc1)C2CCCC2 50d522d48eeb231f379ad71b358755b0 [0,1,1,0,0,0|2,0,0]=4 194 B19R2.16439 CCCCCN(c1ccccc1)[C@@H]2CCC[C@H]2O f3e86842f641fecbde826777f7fb54d9 [0,1,1,0,0,0|2,0,0]=4 195 B19R2.16439 CCCCCN(c1ccccc1)[C@H]2CCC[C@@H]2O a80ea47926929b0064947180c402c9cc [0,1,1,0,0,0|2,0,0]=4 196 B19R2.16442 CCCCNC(c1cccc(c1)F)C2CCCC2 3a550ffa76a6b9192678efa61035bb51 [0,1,1,0,0,0|2,0,0]=4 197 B19R2.16442 CCCCOC(c1cccc(c1)Br)C2CCCC2 0b456338cf6b5932a02cb48fb1a17123 [0,1,1,0,0,0|2,0,0]=4 198 B19R2.16442 CCCCOC(c1cccc(c1)C)C2CCCC2 7eb536d25f94bbbb9098e6e71a2ed221 [0,1,1,0,0,0|2,0,0]=4 199 B19R2.215401 CCCCNC(c1ccccc1F)C2CCCC2 e10fa3c662ffac2b45601aeb2f9fc364 [0,1,1,0,0,0|2,0,0]=4 200 B19R2.215401 CCCCOC(c1ccccc1Cl)C2CCCC2 f9ff476f13dcc258b468187802df7849 [0,1,1,0,0,0|2,0,0]=4 201 B19R2.57793 C#CCCCNC1(CCOCC1)c2ccccc2 a99619d703d98d44809a0d6dc5bbf6da [0,1,1,0,0,0|1,0,1]=4 202 B19R2.57793 C#CCCNCC1(CCCCC1)c2ccccc2 c6b1e87dcbda6ead7c84f96791fadf03 [0,1,1,0,0,0|0,0,2]=4 203 B19R2.57793 C/C=C/CNCC1(CCCCC1)c2ccccc2 e724743cdf3e9c6d99502eb3ebde3aa6 [0,1,1,0,0,0|0,0,2]=4 204 B19R2.57793 C/C=C\CNCC1(CCCCC1)c2ccccc2 230ed34ef0c568bfc465209e91f71c76 [0,1,1,0,0,0|0,0,2]=4 205 B19R2.57793 C=CCCCNC1(CCOCC1)c2ccccc2 0275450936fe96ade8c979cfd81086fb [0,1,1,0,0,0|1,0,1]=4 206 B19R2.57793 C=CCCCOC1(CCCCC1)c2ccccc2 e02df76fa7ece1e6c324cced492a9234 [0,1,1,0,0,0|1,0,1]=4 207 B19R2.57793 C=CCCNCC1(CCCCC1)c2ccccc2 4e8782d36edf3ade2ce695969323d9c9 [0,1,1,0,0,0|0,0,2]=4 208 B19R2.57793 CC/C=C/CNC1(CCOCC1)c2ccccc2 da9fdce2da15f68db1aebab3f2b71d46 [0,1,1,0,0,0|1,0,1]=4 209 B19R2.57793 CC/C=C/COC1(CCCCC1)c2ccccc2 d1ad713a772200dfd882dd648d915184 [0,1,1,0,0,0|1,0,1]=4 210 B19R2.57793 CCCCCNC1(CCOCC1)c2ccccc2 80fcba3249a9e198ca923167a549cdd5 [0,1,1,0,0,0|1,0,0]=3 211 B19R2.57793 CCCCNCC1(CCCCC1)c2ccccc2 8c16b5ea70699405ca9d311145da18a2 [0,1,1,0,0,0|0,0,0]=2 212 B19R2.57793 CCCCNCC1(CCOCC1)c2ccccc2 80cc081e7a6c409d5547433ecb314084 [0,1,1,0,0,0|1,0,0]=3 213 B19R2.57793 CCCCOCC1(CCCCC1)c2ccccc2 310ebd2a6977470a262960f9c286773a [0,1,1,0,0,0|1,0,0]=3 214 B19R2.57793 CCOCCNC1(CCOCC1)c2ccccc2 2f5fb76b32169bc011f7ab53e8a18c5f [0,1,1,0,0,0|1,0,0]=3 215 B19R2.57793 CCOCCOC1(CCCCC1)c2ccccc2 36fc4c55648f73f2bfaf0020f99fdb81 [0,1,1,0,0,0|1,0,0]=3 216 B19R2.57793 CCOCCOC1(CCCCC1)c2cccnc2 86ced5aecf4b2d4d8fc294c5e767ef97 [0,1,1,0,0,0|2,0,0]=4 217 B19R2.57793 CCOCCOC1(CCCCC1)c2ccncc2 acf9889e73da48fca4f92ca4cc9db572 [0,1,1,0,0,0|2,0,0]=4 218 B19R2.57793 CCOCCOC1(CCOCC1)c2ccccc2 d4811d16a0b152abf00264ecd9ec6749 [0,1,1,0,0,0|2,0,0]=4 219 B19R2.57793 CCOCCOC1(CCSCC1)c2ccccc2 6b261e5f986a70eefc2dc8b3c19f554b [0,1,1,0,0,0|2,0,0]=4 220 B19R2.57793 CCOCNCC1(CCOCC1)c2ccccc2 8c73c4a303207dc91edf4f0b84b124ad [0,1,1,0,0,0|2,0,0]=4 221 B19R2.57793 COCCCNC1(CCOCC1)c2ccccc2 4adb2a2dee7e9fc1c38df6be1626917a [0,1,1,0,0,0|1,0,0]=3 222 B19R2.57793 COCCCOC1(CCCCC1)c2ccncc2 54470a5fd6a4c0bb0c78fd277686a036 [0,1,1,0,0,0|2,0,0]=4 223 B19R2.57793 COCCCOC1(CCOCC1)c2ccccc2 1907c64d9869d62d7060ae1a64379a78 [0,1,1,0,0,0|2,0,0]=4 224 B19R2.57793 COCCNCC1(CCCCC1)c2ccccc2 c005bcc39b311e3ce9cf11d7fdff9847 [0,1,1,0,0,0|1,0,0]=3 225 B19R2.57793 COCCNCC1(CCOCC1)c2ccccc2 c6a648dc2d3b47fa0cec4d07a065d99f [0,1,1,0,0,0|2,0,0]=4 226 B19R2.57793 COCCOCC1(CCCCC1)c2ccccc2 c8c8ad6ae7b8300aa804bf1821003747 [0,1,1,0,0,0|2,0,0]=4 227 B19R2.57793 CSCCCNC1(CCOCC1)c2ccccc2 c76461b1b03ebab7ca03b81a11f33095 [0,1,1,0,0,0|1,0,0]=3 228 B19R2.57793 CSCCCOC1(CCOCC1)c2ccccc2 cf08497801dc07927a56497dcfb6ede0 [0,1,1,0,0,0|2,0,0]=4 229 B19R2.57793 CSCCNCC1(CCCCC1)c2ccccc2 72c1616589b621ada68d6ddb58058df6 [0,1,1,0,0,0|1,0,0]=3 230 B19R2.57793 CSCCNCC1(CCOCC1)c2ccccc2 16eb6414c1ab030e04d8a515960e2612 [0,1,1,0,0,0|2,0,0]=4 231 B19R2.57793 CSCCOCC1(CCCCC1)c2ccccc2 e5eb3746ea9198e6dd1c1019d2578352 [0,1,1,0,0,0|2,0,0]=4 232 B19R2.57793 FCCCNCC1(CCCCC1)c2ccccc2 632ac86ee488ff54356c49fd0cc65cc5 [0,1,1,0,0,0|1,0,0]=3 233 B19R2.57793 FCCCNCC1(CCOCC1)c2ccccc2 edbd04358fed98716b3261662cf3d7e4 [0,1,1,0,0,0|2,0,0]=4 234 B19R2.57793 FCCCOCC1(CCCCC1)c2ccccc2 6f8579c39b32229995d8a7c066593780 [0,1,1,0,0,0|2,0,0]=4 235 B19R2.57793 N#CCCCNC1(CCOCC1)c2ccccc2 93c1cd4ea7c275ee757f663d11673a99 [0,1,1,0,0,0|1,0,1]=4 236 B19R2.57793 N#CCCCOC1(CCCCC1)c2ccccc2 1b4d7aa58c741ac7f39a33c9cf94e2e6 [0,1,1,0,0,0|1,0,1]=4 237 B19R2.57793 N#CCCNCC1(CCCCC1)c2ccccc2 3d8e7f94e509f8cb37fb375957ad95a3 [0,1,1,0,0,0|1,0,1]=4 238 B19R2.57793 O=CCCCNC1(CCOCC1)c2ccccc2 1ef42f5f8975bd658a968d78af965c72 [0,1,1,0,0,0|1,0,1]=4 239 B19R2.57793 O=CCCCOC1(CCCCC1)c2ccccc2 2c80b263a3c5bbd7bc3a8108374bc134 [0,1,1,0,0,0|1,0,1]=4 240 B19R2.57793 O=CCCNCC1(CCCCC1)c2ccccc2 84fc605b9f27626e596b0115019220ec [0,1,1,0,0,0|1,0,1]=4 241 B19R2.57793 OCCCNCC1(CCCCC1)c2ccccc2 8bc0a79eae439472613c731888df65ba [0,1,1,0,0,0|1,0,0]=3 242 B19R2.57793 OCCCNCC1(CCOCC1)c2ccccc2 d646f8b5af56d27a1834c8e0eb9184ae [0,1,1,0,0,0|2,0,0]=4 243 B19R2.57793 SCCCNCC1(CCCCC1)c2ccccc2 5b629170438bd8e10801b794259ce7bd [0,1,1,0,0,0|1,0,0]=3 244 B19R2.57793 SCCCNCC1(CCOCC1)c2ccccc2 c5a036a248ba2c560fefef9a849422a0 [0,1,1,0,0,0|2,0,0]=4 245 B19R2.114969 CCCCNC1(CCOCC1)c2ccc(cc2)Br 8503df2716c03070be510aebe5ff1dcd [0,1,1,0,0,0|1,0,0]=3 246 B19R2.114969 CCCCNC1(CCOCC1)c2ccc(cc2)Cl 6e09dd10999ab8996584c14580ea261f [0,1,1,0,0,0|1,0,0]=3 247 B19R2.114969 CCCCOC1(CCCCC1)c2ccc(cc2)C dd39e3859ad31bdf1f1a03020c6d0767 [0,1,1,0,0,0|1,0,0]=3 248 B19R2.114969 CCCCOC1(CCCCC1)c2ccc(cc2)F 9c2eeac6fbdf82b045c616a038fa2c81 [0,1,1,0,0,0|1,0,0]=3 249 B19R2.114969 CCCCOC1(CCCCC1)c2ccc(cc2)I 893970d4a67a690d9ad99c2aacd7d538 [0,1,1,0,0,0|1,0,0]=3 250 B19R2.114969 CCCCOC1(CCOCC1)c2ccc(cc2)Br 6768a1054698aa10f7aee89b97daae59 [0,1,1,0,0,0|2,0,0]=4 251 B19R2.114969 CCCCOC1(CCOCC1)c2ccc(cc2)C 103bd8fd6e9775e99616fe96e997d302 [0,1,1,0,0,0|2,0,0]=4 252 B19R2.114969 CCCCOC1(CCOCC1)c2ccc(cc2)Cl d336e74a5957b74a81ee65fc076f9b27 [0,1,1,0,0,0|2,0,0]=4 253 B19R2.114969 CCCCOC1(CCOCC1)c2ccc(cc2)F 16974608773d6be18541e6673e0c3570 [0,1,1,0,0,0|2,0,0]=4 254 B19R2.114969 CCCCOC1(CCOCC1)c2ccc(cc2)I 2e5fbd380c1c49497ec37a1a258eed09 [0,1,1,0,0,0|2,0,0]=4 255 B19R2.114969 CCCCOC1(CCSCC1)c2ccc(cc2)F 6d0712582629bd9cdbca977778f39d71 [0,1,1,0,0,0|2,0,0]=4 256 B19R2.114969 CCCNCC1(CCCCC1)c2ccc(cc2)Br 522fc00c4aaaa683e1e3bd10b8244b27 [0,1,1,0,0,0|2,0,0]=4 257 B19R2.114969 CCCNCC1(CCCCC1)c2ccc(cc2)F b4c5928f7222c9db2e89f59f86c830c2 [0,1,1,0,0,0|2,0,0]=4 258 B19R2.114969 CCOCNC1(CCOCC1)c2ccc(cc2)Br 48b9ca9d1f7cd975eb9b7b011b26dd55 [0,1,1,0,0,0|2,0,0]=4 259 B19R2.114969 CCOCNC1(CCOCC1)c2ccc(cc2)Cl 4ce878364bb207608e27c98d24f13e4d [0,1,1,0,0,0|2,0,0]=4 260 B19R2.114969 COCCNC1(CCOCC1)c2ccc(cc2)Br 95eb5ef408e7cfdf3812927f9a761810 [0,1,1,0,0,0|2,0,0]=4 261 B19R2.114969 COCCNC1(CCOCC1)c2ccc(cc2)Cl 5698260fe3eebd210f222a598f9d09b2 [0,1,1,0,0,0|2,0,0]=4 262 B19R2.114969 COCCOC1(CCCCC1)c2ccc(cc2)Br 454bd5166a2952053cbc1073e5ddd510 [0,1,1,0,0,0|2,0,0]=4 263 B19R2.114969 COCCOC1(CCCCC1)c2ccc(cc2)C 31d3cbf5c5afe1ca1157c386462c84e7 [0,1,1,0,0,0|2,0,0]=4 264 B19R2.114969 COCCOC1(CCCCC1)c2ccc(cc2)Cl 75c800b4d9aea68c6285a7a2ea89604f [0,1,1,0,0,0|2,0,0]=4 265 B19R2.114969 COCCOC1(CCCCC1)c2ccc(cc2)F 47904d2950b824703197b6617b9d5535 [0,1,1,0,0,0|2,0,0]=4 266 B19R2.114969 COCCOC1(CCCCC1)c2ccc(cc2)I c7542fbccfbb3f0895ee65f918fe276a [0,1,1,0,0,0|2,0,0]=4 267 B19R2.114969 CSCCNC1(CCOCC1)c2ccc(cc2)Br c7879b0d7c6578cd74768a2434083baa [0,1,1,0,0,0|2,0,0]=4 268 B19R2.114969 CSCCNC1(CCOCC1)c2ccc(cc2)Cl d89c8eaa6cacbba42e7737648a79db58 [0,1,1,0,0,0|2,0,0]=4 269 B19R2.114969 CSCCOC1(CCCCC1)c2ccc(cc2)F b46d9143677e97e6bbf898da3752656c [0,1,1,0,0,0|2,0,0]=4 270 B19R2.114969 CSCCOC1(CCCCC1)c2ccc(cc2)I 7f6d3f8476fbe22295fd1ad72d3262dc [0,1,1,0,0,0|2,0,0]=4 271 B19R2.114969 Cc1ccc(cc1)C2(CCCCC2)OCCCF f794c5bcb2d62390475b02698ce245df [0,1,1,0,0,0|2,0,0]=4 272 B19R2.114969 FCCCNC1(CCOCC1)c2ccc(cc2)Br 23137b8627e7f70bff9db9a1917a7f86 [0,1,1,0,0,0|2,0,0]=4 273 B19R2.114969 FCCCNC1(CCOCC1)c2ccc(cc2)Cl 95d5af5582840d1689fc49452388b5c0 [0,1,1,0,0,0|2,0,0]=4 274 B19R2.114969 FCCCOC1(CCCCC1)c2ccc(cc2)Br d6057240ff4839cb2be1083766776229 [0,1,1,0,0,0|2,0,0]=4 275 B19R2.114969 FCCCOC1(CCCCC1)c2ccc(cc2)Cl bfd306ecbf277dc2bacc191061005f9a [0,1,1,0,0,0|2,0,0]=4 276 B19R2.114969 FCCCOC1(CCCCC1)c2ccc(cc2)F 7b1d3a9c9c71755f8b87a662fb5a5440 [0,1,1,0,0,0|2,0,0]=4 277 B19R2.114969 FCCCOC1(CCCCC1)c2ccc(cc2)I 4c71c34da18f0a0d7f4a849f375a4950 [0,1,1,0,0,0|2,0,0]=4 278 B19R2.114969 OCCCNC1(CCOCC1)c2ccc(cc2)Br 5ee74417fff2a80391d09366c601938f [0,1,1,0,0,0|2,0,0]=4 279 B19R2.114969 OCCCNC1(CCOCC1)c2ccc(cc2)Cl a2c823474437ed69552701f52d6e27d2 [0,1,1,0,0,0|2,0,0]=4 280 B19R2.114969 SCCCNC1(CCOCC1)c2ccc(cc2)Br 6b61e9cf406c37bfc8e783f276ece221 [0,1,1,0,0,0|2,0,0]=4 281 B19R2.114969 SCCCNC1(CCOCC1)c2ccc(cc2)Cl 3b4f9a05e5da4610f627c28af1325a8b [0,1,1,0,0,0|2,0,0]=4 282 B19R2.166038 C=C(CC)CNC1(CCOCC1)c2ccccc2 1dab78796ad252dc2383212989ad63ae [0,1,1,0,0,0|1,0,1]=4 283 B19R2.166038 CC(CO)CNC1(CCOCC1)c2ccccc2 e1d58ced1b536c7b097237d0e0ea88e0 [0,1,1,0,0,0|2,0,0]=4 284 B19R2.166038 CCC(=O)CNC1(CCOCC1)c2ccccc2 f4ccdac50e5df8c1c88610c8f3c25d11 [0,1,1,0,0,0|1,0,1]=4 285 B19R2.166038 CCC(C)CNC1(CCOCC1)c2ccccc2 6f67682c867a855536efcee2e065e7e7 [0,1,1,0,0,0|1,0,0]=3 286 B19R2.166038 CCC(C)COC1(CCCCC1)c2ccccc2 9e25547764be2115925b56ed7b52f7be [0,1,1,0,0,0|1,0,0]=3 287 B19R2.166038 CCC(C)COC1(CCCCC1)c2ccncc2 c14d6331131c9d200c875f265ccf1a88 [0,1,1,0,0,0|2,0,0]=4 288 B19R2.166038 CCC(C)COC1(CCOCC1)c2ccccc2 cc10bd4ecd70f903066b2def3d539823 [0,1,1,0,0,0|2,0,0]=4 289 B19R2.166038 CCC(C)COC1(CCSCC1)c2ccccc2 be220ab9f6ff97f6ec0179076048f0f3 [0,1,1,0,0,0|2,0,0]=4 290 B19R2.166038 CC[C@@H](C)CNC1(CCOCC1)c2ccccc2 12343f4cd22b91f94467f83d3e01579a [0,1,1,0,0,0|1,0,0]=3 291 B19R2.166038 CC[C@@H](C)COC1(CCCCC1)c2ccncc2 cbc4926cf869d155926154015d561455 [0,1,1,0,0,0|2,0,0]=4 292 B19R2.166038 CC[C@@H](C)COC1(CCOCC1)c2ccccc2 d18f30e4cf6e60a5c2a3c9e7f4cf7c10 [0,1,1,0,0,0|2,0,0]=4 293 B19R2.166038 CC[C@H](C)CNC1(CCOCC1)c2ccccc2 171fff9ca8029b9b474a86512bd1cb8c [0,1,1,0,0,0|1,0,0]=3 294 B19R2.166038 CC[C@H](C)COC1(CCCCC1)c2ccccc2 11906e6dd3af68e51edb9435d2414319 [0,1,1,0,0,0|1,0,0]=3 295 B19R2.166038 CC[C@H](C)COC1(CCCCC1)c2ccncc2 2505cfa0e7b09751597a881e19208ea7 [0,1,1,0,0,0|2,0,0]=4 296 B19R2.166038 CC[C@H](C)COC1(CCOCC1)c2ccccc2 f9f88ec059314d146ca70a574237eefc [0,1,1,0,0,0|2,0,0]=4 297 B19R2.166038 CC[C@H](C)COC1(CCSCC1)c2ccccc2 c0a0ef36d5c132a9275a75210decbe62 [0,1,1,0,0,0|2,0,0]=4 298 B19R2.166038 COC(C)CNC1(CCOCC1)c2ccccc2 434cf95dc39d90b48762832f8011b828 [0,1,1,0,0,0|2,0,0]=4 299 B19R2.166038 COC(C)COC1(CCCCC1)c2ccccc2 1f52c851934622788b6a36a593939f8c [0,1,1,0,0,0|2,0,0]=4 300 B19R2.166038 CO[C@@H](C)CNC1(CCOCC1)c2ccccc2 47e01844a33906a3304389a28e62c1c9 [0,1,1,0,0,0|2,0,0]=4 301 B19R2.166038 CO[C@@H](C)COC1(CCCCC1)c2ccccc2 dda695d644524322df876987c228686e [0,1,1,0,0,0|2,0,0]=4 302 B19R2.166038 CO[C@H](C)CNC1(CCOCC1)c2ccccc2 1c053b469f8175fdfea3dc157d8787d1 [0,1,1,0,0,0|2,0,0]=4 303 B19R2.166038 CO[C@H](C)COC1(CCCCC1)c2ccccc2 4f5174c6b8bbdd1fb5697b4113cd076e [0,1,1,0,0,0|2,0,0]=4 304 B19R2.166038 C[C@@H](CO)CNC1(CCOCC1)c2ccccc2 0ab46b71161b58731d871a963190f73e [0,1,1,0,0,0|2,0,0]=4 305 B19R2.166038 C[C@H](CO)CNC1(CCOCC1)c2ccccc2 31bd3a79698ff987826fc279e3af397a [0,1,1,0,0,0|2,0,0]=4 306 B19R2.166038 OC(CF)CNC1(CCOCC1)c2ccccc2 c67df5520e0cb2c48fef1fb62407bb1a [0,1,1,0,0,0|2,0,0]=4 307 B19R2.166038 OCC(O)CNC1(CCOCC1)c2ccccc2 94e6f36d34cfd7ad90a35fcd7b0326e9 [0,1,1,0,0,0|2,0,0]=4 308 B19R2.166038 OCC(O)COC1(CCCCC1)c2ccccc2 b0397f70140eee07bdf6598433ecb3a3 [0,1,1,0,0,0|2,0,0]=4 309 B19R2.198175 C#CCCNC1(CCCCC1)c2cccc(c2)F 9d65a454c563ced3482c377c37ec8e62 [0,1,1,0,0,0|0,0,2]=4 310 B19R2.198175 C/C=C/CNC1(CCCCC1)c2cccc(c2)F 0e7925102fcba298fae2b6d8f199f037 [0,1,1,0,0,0|0,0,2]=4 311 B19R2.198175 C/C=C\CNC1(CCCCC1)c2cccc(c2)F 64ea5559c6caee78753bad62e703421e [0,1,1,0,0,0|0,0,2]=4 312 B19R2.198175 C=CCCNC1(CCCCC1)c2cccc(c2)F 4504c3542ac7c867664f914abf6c5e26 [0,1,1,0,0,0|0,0,2]=4 313 B19R2.198175 CCCCNC1(CCCCC1)c2cccc(c2)F deee6f09d8108d16e676d429d2d722d9 [0,1,1,0,0,0|0,0,0]=2 314 B19R2.198175 CCCCNC1(CCOCC1)c2cccc(c2)Cl 2e6cbb2a662ffb9feb2125a0be2776e4 [0,1,1,0,0,0|1,0,0]=3 315 B19R2.198175 CCCCOC1(CCCCC1)c2cccc(c2)F 45662cfbd1e064ae1dd10f3c3688d4f2 [0,1,1,0,0,0|1,0,0]=3 316 B19R2.198175 CCCCOC1(CCCCC1)c2cccc(n2)Br cc32af9c03dad129e1627dad5e6badae [0,1,1,0,0,0|2,0,0]=4 317 B19R2.198175 CCCCOC1(CCCCC1)c2cncc(c2)F f90d3cbd90149bd748fda4a633e4515c [0,1,1,0,0,0|2,0,0]=4 318 B19R2.198175 CCCCOC1(CCOCC1)c2cccc(c2)Br f48424df02efe02813e815389d79eab9 [0,1,1,0,0,0|2,0,0]=4 319 B19R2.198175 CCCCOC1(CCOCC1)c2cccc(c2)C 9384bddaf36ec34a3121d679fc96275c [0,1,1,0,0,0|2,0,0]=4 320 B19R2.198175 CCCCOC1(CCOCC1)c2cccc(c2)Cl 05504d5c06fde0c804e5045f52b32d31 [0,1,1,0,0,0|2,0,0]=4 321 B19R2.198175 CCCCOC1(CCOCC1)c2cccc(c2)F ae85817129429fc6535be52d5bb598d8 [0,1,1,0,0,0|2,0,0]=4 322 B19R2.198175 CCCCOC1(CCOCC1)c2cccc(c2)I 89c561afd578db6c1b22385cadc0d7da [0,1,1,0,0,0|2,0,0]=4 323 B19R2.198175 CCCNCC1(CCCCC1)c2cccc(c2)F a984ce858421e067a33a3149e94e134f [0,1,1,0,0,0|2,0,0]=4 324 B19R2.198175 CCOCNC1(CCCCC1)c2cccc(c2)F e4214be05f9ce074fcf1e354e9c53569 [0,1,1,0,0,0|1,0,0]=3 325 B19R2.198175 CCOCNC1(CCOCC1)c2cccc(c2)Cl ab29ebdb745b36b667e9bad96dae7cca [0,1,1,0,0,0|2,0,0]=4 326 B19R2.198175 COCCNC1(CCCCC1)c2cccc(c2)F ad18dbee54700fc97dcf8c245f007b5a [0,1,1,0,0,0|1,0,0]=3 327 B19R2.198175 COCCNC1(CCOCC1)c2cccc(c2)Cl d1e67a3e906edcd7d33cc035654907c2 [0,1,1,0,0,0|2,0,0]=4 328 B19R2.198175 COCCOC1(CCCCC1)c2cccc(c2)Br 79155a047cb52900cf113a908e9ed882 [0,1,1,0,0,0|2,0,0]=4 329 B19R2.198175 COCCOC1(CCCCC1)c2cccc(c2)C 62d6458b37d42b552a65a47080b33ece [0,1,1,0,0,0|2,0,0]=4 330 B19R2.198175 COCCOC1(CCCCC1)c2cccc(c2)Cl cbb3c24400a4595eac230ec83129d51d [0,1,1,0,0,0|2,0,0]=4 331 B19R2.198175 COCCOC1(CCCCC1)c2cccc(c2)F 5f8b4bf2c5c0d8b8a0e5040e0afeaeda [0,1,1,0,0,0|2,0,0]=4 332 B19R2.198175 COCCOC1(CCCCC1)c2cccc(c2)I 18d3a9a143ac66753658a76f9203ad07 [0,1,1,0,0,0|2,0,0]=4 333 B19R2.198175 CSCCNC1(CCCCC1)c2cccc(c2)F e00bfa4a71162b9bf23b7a649ba08dfb [0,1,1,0,0,0|1,0,0]=3 334 B19R2.198175 CSCCNC1(CCOCC1)c2cccc(c2)Cl 34faae8f1a90b46ed887f205c9628845 [0,1,1,0,0,0|2,0,0]=4 335 B19R2.198175 FCCCNC1(CCCCC1)c2cccc(c2)F 73ab60f9e68c0305e1d0bd222d90402b [0,1,1,0,0,0|1,0,0]=3 336 B19R2.198175 FCCCNC1(CCOCC1)c2cccc(c2)Cl cd5c43c1a093253931b651650fe90133 [0,1,1,0,0,0|2,0,0]=4 337 B19R2.198175 FCCCOC1(CCCCC1)c2cccc(c2)Br afacf7376eb2e57b28b2982bcdd03799 [0,1,1,0,0,0|2,0,0]=4 338 B19R2.198175 FCCCOC1(CCCCC1)c2cccc(c2)Cl ff6ef91d60da6eadf73d21390928a052 [0,1,1,0,0,0|2,0,0]=4 339 B19R2.198175 FCCCOC1(CCCCC1)c2cccc(c2)F 28c0128f0d9c5ac87778b610362a41de [0,1,1,0,0,0|2,0,0]=4 340 B19R2.198175 FCCCOC1(CCCCC1)c2cccc(c2)I 432f4e9e09a6b797d1768b4ba12392e0 [0,1,1,0,0,0|2,0,0]=4 341 B19R2.198175 Fc1cccc(c1)C2(CCCCC2)NCCCS bfc538abdfaf3fef5f6d63d204039016 [0,1,1,0,0,0|1,0,0]=3 342 B19R2.198175 N#CCCNC1(CCCCC1)c2cccc(c2)F 68cc1c64cdd8da9ef8aa1e325e170156 [0,1,1,0,0,0|1,0,1]=4 343 B19R2.198175 O=CCCNC1(CCCCC1)c2cccc(c2)F 54aafcb0063dd5da6c4fb35539b3bca9 [0,1,1,0,0,0|1,0,1]=4 344 B19R2.198175 OCCCNC1(CCCCC1)c2cccc(c2)F 6598fdd2c1e44518e10f49a23739558e [0,1,1,0,0,0|1,0,0]=3 345 B19R2.198175 OCCCNC1(CCOCC1)c2cccc(c2)Cl 37a98b4b978b047c555c59b5ad4b165f [0,1,1,0,0,0|2,0,0]=4 346 B19R2.198175 SCCCNC1(CCOCC1)c2cccc(c2)Cl 2a273f296ea684cf929841e30dd8079d [0,1,1,0,0,0|2,0,0]=4 347 B19R2.203231 CCCC(C)NC1(CCOCC1)c2ccccc2 64887a6433604a0ae4fe5baccae134c2 [0,1,1,0,0,0|1,0,0]=3 348 B19R2.203231 CCCC(C)OC1(CCCCC1)c2cccnc2 b9b3db7403d138a564f740a39fc08b49 [0,1,1,0,0,0|2,0,0]=4 349 B19R2.203231 CCCC(C)OC1(CCCCC1)c2ccncc2 1d6d142768bf6410b6588a665d5a3288 [0,1,1,0,0,0|2,0,0]=4 350 B19R2.203231 CCCC(C)OC1(CCOCC1)c2ccccc2 58421cb692f03e47ef27d259d867354d [0,1,1,0,0,0|2,0,0]=4 351 B19R2.1041973 CCCNCC1(CCC(CC1)O)c2ccccc2 8a2fb1b5e320909c0eabc80872cdb0d9 [0,1,1,0,0,0|2,0,0]=4 352 B19R2.1388200 C=C(C)CCNC1(CCOCC1)c2ccccc2 3f1a2adcd7936d179e285bf32ee9e307 [0,1,1,0,0,0|1,0,1]=4 353 B19R2.1388200 CC(=O)CCNC1(CCOCC1)c2ccccc2 ff1f2cad67c9c01f94860cac81d11520 [0,1,1,0,0,0|1,0,1]=4 354 B19R2.1388200 CC(C)CCNC1(CCOCC1)c2ccccc2 48d8f316643f033b0f4f5cb78671341f [0,1,1,0,0,0|1,0,0]=3 355 B19R2.1388200 CC(C)CCOC1(CCCCC1)c2ccccc2 d18dbc9241941398c006e9b66d2dcd84 [0,1,1,0,0,0|1,0,0]=3 356 B19R2.1388200 CC(C)CCOC1(CCCCC1)c2ccncc2 9502e76abf2e5b98f5c06e734d59c5d4 [0,1,1,0,0,0|2,0,0]=4 357 B19R2.1388200 CC(C)CCOC1(CCOCC1)c2ccccc2 eae6f54a28120b2a3190a18617de5a7c [0,1,1,0,0,0|2,0,0]=4 358 B19R2.1388200 CC(C)CCOC1(CCSCC1)c2ccccc2 4b79c73c75059bce620b1b2dc47cd2a7 [0,1,1,0,0,0|2,0,0]=4 359 B19R2.1388200 CC(C)CNCC1(CCCCC1)c2ccccc2 23f559e8fc01a878be8876cf68e1146d [0,1,1,0,0,0|2,0,0]=4 360 B19R2.1388200 CC(C)COCC1(CCCCC1)c2ccccc2 8abefba230deee172542fa2d27dff6dd [0,1,1,0,0,0|2,0,0]=4 361 B19R2.1388200 CC(C)OCNC1(CCOCC1)c2ccccc2 80125218c31f6c8fdd31018b71f8f194 [0,1,1,0,0,0|2,0,0]=4 362 B19R2.1388200 CC(O)CCNC1(CCOCC1)c2ccccc2 a2766f725965764a460746af55123f45 [0,1,1,0,0,0|1,0,0]=3 363 B19R2.1388200 CC(O)CNCC1(CCCCC1)c2ccccc2 d2cc7fa8dbc1a38d92e2931edc9a4d2a [0,1,1,0,0,0|2,0,0]=4 364 B19R2.1388200 CS(=O)CCNC1(CCOCC1)c2ccccc2 60067a5d4c3ea5270d726b9e626be3fe [0,1,1,0,0,0|2,0,0]=4 365 B19R2.1388200 C[C@@H](O)CNCC1(CCCCC1)c2ccccc2 9169031d62f7e29b35cda09a6f778ffd [0,1,1,0,0,0|2,0,0]=4 366 B19R2.1388200 C[C@H](O)CNCC1(CCCCC1)c2ccccc2 d84c587191971657745624cc353cbd64 [0,1,1,0,0,0|2,0,0]=4 367 B19R2.1665936 CCCCOC1(CCCCC1)c2cccnc2Cl 32794b984ca8eed31ac7c5cf2c89267a [0,1,1,0,0,0|2,0,0]=4 368 B19R2.1665936 CCCCOC1(CCCCC1)c2ccncc2Cl 396596c6a4f014112f5f4eab89761701 [0,1,1,0,0,0|2,0,0]=4 369 B19R2.1665936 CCCCOC1(CCCCC1)c2cnccc2C 02f883bb60562d0ddefb4c41a2a6ab9c [0,1,1,0,0,0|2,0,0]=4 370 B19R2.1665936 CCCCOC1(CCCCC1)c2ncccc2C e1a146ab76a388a936b9a4b5b317e067 [0,1,1,0,0,0|2,0,0]=4 371 B19R2.1665936 CCCCOC1(CCOCC1)c2ccccc2C 96fc75dd83a0532ed9d59ce0726ed874 [0,1,1,0,0,0|2,0,0]=4 372 B19R2.1665936 CCCCOC1(CCOCC1)c2ccccc2Cl 71b1f31e3597357881b52a0ef648f8c2 [0,1,1,0,0,0|2,0,0]=4 373 B19R2.1665936 CCCCOC1(CCOCC1)c2ccccc2F f80475e0dabd3a257a82a8047076cc8b [0,1,1,0,0,0|2,0,0]=4 374 B19R2.1665936 CCCCOC1(CCOCC1)c2ccccc2I cf8d8a2bc3a8c79162032833f5296828 [0,1,1,0,0,0|2,0,0]=4 375 B19R2.1665936 COCCOC1(CCCCC1)c2ccccc2C 17569f0f3cd9690788b43ef0b690afa4 [0,1,1,0,0,0|2,0,0]=4 376 B19R2.1665936 COCCOC1(CCCCC1)c2ccccc2F 78cfe83a687c5bbb5b4fb3b503daf178 [0,1,1,0,0,0|2,0,0]=4 377 B19R2.1665936 COCCOC1(CCCCC1)c2ccccc2I cd4a181d40ae2c67b9fee5bead9f0e84 [0,1,1,0,0,0|2,0,0]=4 378 B19R2.1665936 FCCCOC1(CCCCC1)c2ccccc2I f9be196ac0655a2313439cd41d782f88 [0,1,1,0,0,0|2,0,0]=4 379 B17R1.4024 CCCNCC(c1ccccc1)N(CC)CC c13807dc7533288dc585be35864fdb24 [0,0,2,0,0,0|1,0,0]=3 380 B17R1.4024 CCN(CC)C(CNCCF)c1ccccc1 f8136a3076fb857ad03c6cddcbe729cb [0,0,2,0,0,0|2,0,0]=4 381 B17R1.4024 CCN(CC)C(CNCCO)c1ccccc1 cb3ea721522af6b69eb5516fae9b8539 [0,0,2,0,0,0|2,0,0]=4 382 B17R1.4024 CCN(CC)C(CNCCS)c1ccccc1 9da119ffa7c61ce09991d0b77af9579b [0,0,2,0,0,0|2,0,0]=4 383 B17R1.4024 CCN(CC)C(CNCOC)c1ccccc1 0afe2992ae9f6206ac6e9b67dd71fbb0 [0,0,2,0,0,0|2,0,0]=4 384 B17R1.4024 CCN(CC)C(CNCSC)c1ccccc1 81b91be3ec8d2318ea629dd24a996ec1 [0,0,2,0,0,0|2,0,0]=4 385 B17R1.25042 C#CCCNC(CCCCC)c1ccccc1 321d4351643bd2e0433518ed5415f377 [0,0,2,0,0,0|0,0,2]=4 386 B17R1.25042 C/C=C/CNC(CCCCC)c1ccccc1 eed9bfd452936249c409c5105617f5df [0,0,2,0,0,0|0,0,2]=4 387 B17R1.25042 C/C=C\CNC(CCCCC)c1ccccc1 2f5be7735a3ed6e138c94e3235cb51ce [0,0,2,0,0,0|0,0,2]=4 388 B17R1.25042 C=CCCNC(CCCCC)c1ccccc1 f52fc71eef7a30496b7e0f63e25f70f9 [0,0,2,0,0,0|0,0,2]=4 389 B17R1.25042 CCCCCC(NCCC#N)c1ccccc1 f09fa997b9bf0a280d711b6161cc0265 [0,0,2,0,0,0|1,0,1]=4 390 B17R1.25042 CCCCCC(NCCC=O)c1ccccc1 40d5564a9c6ade5ff2fed0a09c297e1e [0,0,2,0,0,0|1,0,1]=4 391 B17R1.25042 CCCCCC(NCCCC)c1ccccc1 9e2f2fa872b9fa14bf73a85a7dd62667 [0,0,2,0,0,0|0,0,0]=2 392 B17R1.25042 CCCCCC(NCCCF)c1ccccc1 ad5aeb93f0cffb83d6d0aea747bf578d [0,0,2,0,0,0|1,0,0]=3 393 B17R1.25042 CCCCCC(NCCCO)c1ccccc1 7ee43d71a02f6bb45609e177030b026c [0,0,2,0,0,0|1,0,0]=3 394 B17R1.25042 CCCCCC(NCCCS)c1ccccc1 22c35d8298565524cce95dbfb76c8665 [0,0,2,0,0,0|1,0,0]=3 395 B17R1.25042 CCCCCC(NCCOC)c1ccccc1 a8938ee40db9ed541895df25d4d96858 [0,0,2,0,0,0|1,0,0]=3 396 B17R1.25042 CCCCCC(NCCSC)c1ccccc1 436abbc405b9a2c979e035d2650fba35 [0,0,2,0,0,0|1,0,0]=3 397 B17R1.25042 CCCCCC(NCOCC)c1ccccc1 4f874c46cdc683490e570473765cdbe5 [0,0,2,0,0,0|1,0,0]=3 398 B17R1.25042 CCCCCC(OCCCC)c1ccccc1 ab4ce7b52cf7e2532778656f9ec43a3b [0,0,2,0,0,0|1,0,0]=3 399 B17R1.25042 CCCCCC(OCCCF)c1ccccc1 d1f2e17ac793b5de22bf0d0fa239a5d2 [0,0,2,0,0,0|2,0,0]=4 400 B17R1.25042 CCCCCC(OCCCS)c1ccccc1 581347e67e7d03378b313a9e977011b7 [0,0,2,0,0,0|2,0,0]=4 401 B17R1.25042 CCCCCC(OCCOC)c1ccccc1 15e4c8ed7c7c6476ae38dfa26fc8033d [0,0,2,0,0,0|2,0,0]=4 402 B17R1.25042 CCCCCC(OCCSC)c1ccccc1 382f138f86ede5130f5aedf189d06810 [0,0,2,0,0,0|2,0,0]=4 403 B19R3.19218 c1ccc(cc1)C(CNC2CC2)C3CCCC3 d4d8f9b6edc5d349d01641733d75f946 [0,0,1,1,0,0|2,0,0]=4 404 B19R3.19218 c1ccc(cc1)C(COC2CC2)C3CCCC3 6cbccc08ba3097f4ef84f30caabc42c7 [0,0,1,1,0,0|2,0,0]=4 405 B19R3.19218 c1ccc(cc1)C(NCC2CC2)C3CCCC3 0555d55f5d4d8d69b3ae7b1ee6c436d7 [0,0,1,1,0,0|2,0,0]=4 406 B19R3.19218 c1ccc(cc1)C(OCC2CC2)C3CCCC3 e2afaf82b7d8ed3e9d26945a72c9a64b [0,0,1,1,0,0|2,0,0]=4 407 B19R3.19218 c1ccc(cc1)N(CCC2CC2)C3CCCC3 c784bbaec190d670e669d8e38998cc4b [0,0,1,1,0,0|2,0,0]=4 408 B19R3.19218 c1cncc(c1)C(CNC2CC2)N3CCCC3 d2ebac45962749b83b23c108e7d13d21 [0,0,1,1,0,0|2,0,0]=4 409 B19R3.19293 c1ccc(cc1)N(CC2CCC2)C3CCCC3 f391b348ffcd39c82f74f478fe319c24 [0,0,1,1,0,0|2,0,0]=4 410 B19R3.19318 c1ccc(cc1)N(C2CCCC2)C3CCCC3 52adccb29bb8baf536f65e2839adff63 [0,0,1,1,0,0|2,0,0]=4 411 B19R3.4695658 c1ccc(cc1)C2(CCCCC2)COC3CC3 5d557ce411b860fd61aa62cfbaa9198d [0,0,1,1,0,0|2,0,0]=4 412 B19R3.4695658 c1ccc(cc1)C2(CCOCC2)NCC3CC3 a853e555d45509869b7070c814a75176 [0,0,1,1,0,0|1,0,0]=3 413 B19R3.4695658 c1ccc(cc1)C2(CCOCC2)OCC3CC3 eb24a55c3b3be84fa6ad204e2c4a695a [0,0,1,1,0,0|2,0,0]=4 414 B17R2.8530 CCCNCC(c1ccco1)N2CCCC2 4794b05b4dd65fa684e24f2a7810882e [0,0,1,0,1,0|2,0,0]=4 415 B17R2.8530 CCCNCC(c1cccs1)N2CCCC2 a6cfd210768699b8104d43b011b90d8a [0,0,1,0,1,0|2,0,0]=4 416 B17R2.77973 CCCCCN(c1ccccc1)C2CCC2 8b880871f54ab0a3d0a4fa46473997b1 [0,0,1,0,1,0|2,0,0]=4 417 B17R2.77973 CCCCN[C@@H](c1ccccc1)C2CCC2 95d5319c4111d7972c1fb1b0860abffc [0,0,1,0,1,0|2,0,0]=4 418 B17R2.77973 CCCCN[C@H](c1ccccc1)C2CCC2 714d633bc150a326e7d8eeed27d29af9 [0,0,1,0,1,0|2,0,0]=4 419 B17R2.77973 CCCCOC(c1ccccc1)C2CCC2 d1887da83c7cae9f6a3078a94244b339 [0,0,1,0,1,0|2,0,0]=4 420 B17R2.45860 C#CCCNC1(CCCC1)c2ccccc2 8c6319483de80b60f61b73b39150585b [0,0,1,0,1,0|0,0,2]=4 421 B17R2.45860 C/C=C/CNC1(CCCC1)c2ccccc2 7154e9b9bbc624343ce36d61d5df5d35 [0,0,1,0,1,0|0,0,2]=4 422 B17R2.45860 C/C=C\CNC1(CCCC1)c2ccccc2 43f2d70489386bf0396b916f77a0d719 [0,0,1,0,1,0|0,0,2]=4 423 B17R2.45860 C=CCCNC1(CCCC1)c2ccccc2 50dec9723b901df4ba0cbb031381b4b0 [0,0,1,0,1,0|0,0,2]=4 424 B17R2.45860 CCCCNC1(CCCC1)c2ccccc2 f5ad8df29b07ebaaf63c07f4cb3c538c [0,0,1,0,1,0|0,0,0]=2 425 B17R2.45860 CCCCNC1(CCCC1)c2cccnc2 5654c41a6c358af824a2dfd07069f1e1 [0,0,1,0,1,0|1,0,0]=3 426 B17R2.45860 CCCCNC1(CCOC1)c2ccccc2 45ef1607f6f86d57aabdf3c6d274ad6f [0,0,1,0,1,0|1,0,0]=3 427 B17R2.45860 CCCCOC1(CCCC1)c2ccccn2 c525b36119d180150e70c2e3b8627716 [0,0,1,0,1,0|2,0,0]=4 428 B17R2.45860 CCCNCC1(CCCC1)c2ccccc2 ce0dfff092edba4147b54b9b31ad63ba [0,0,1,0,1,0|2,0,0]=4 429 B17R2.45860 CCCOCC1(CCCC1)c2ccccc2 6d9f1a38caeec46b4ae9440d0f1d66dc [0,0,1,0,1,0|2,0,0]=4 430 B17R2.45860 COCCNC1(CCCC1)c2ccccc2 ab75a9847445493c1660d4b4623b3752 [0,0,1,0,1,0|1,0,0]=3 431 B17R2.45860 COCCNC1(CCCC1)c2cccnc2 3ece89389e586982533aa820fe6c808e [0,0,1,0,1,0|2,0,0]=4 432 B17R2.45860 COCCNC1(CCOC1)c2ccccc2 b7240a37548e99560876c9e68786def6 [0,0,1,0,1,0|2,0,0]=4 433 B17R2.45860 COCCOC1(CCCC1)c2ccccc2 381f573c6963f131c77b904a477dbb4a [0,0,1,0,1,0|2,0,0]=4 434 B17R2.45860 CSCCNC1(CCCC1)c2ccccc2 389339a011f2fe32d72979cc2c75ac3b [0,0,1,0,1,0|1,0,0]=3 435 B17R2.45860 CSCCNC1(CCCC1)c2cccnc2 c9fdb6eff7b180f692419332feb88257 [0,0,1,0,1,0|2,0,0]=4 436 B17R2.45860 CSCCNC1(CCOC1)c2ccccc2 5c0b442ea7dd28a2058825a7cccd1f5e [0,0,1,0,1,0|2,0,0]=4 437 B17R2.45860 FCCCNC1(CCCC1)c2ccccc2 ddb68254fe7bc92f32d23def3adc19e7 [0,0,1,0,1,0|1,0,0]=3 438 B17R2.45860 FCCCNC1(CCCC1)c2cccnc2 88c8747656987b8fa85f582202c3df86 [0,0,1,0,1,0|2,0,0]=4 439 B17R2.45860 N#CCCNC1(CCCC1)c2ccccc2 f9b92460a1c4b0975ea06c3e2b97bfcb [0,0,1,0,1,0|1,0,1]=4 440 B17R2.45860 O=CCCNC1(CCCC1)c2ccccc2 a933bdb2223cf3facfda7d09e915ce89 [0,0,1,0,1,0|1,0,1]=4 441 B17R2.45860 OCCCNC1(CCCC1)c2ccccc2 c7e721d4c548e548161bacc6e3ca5dbd [0,0,1,0,1,0|1,0,0]=3 442 B17R2.45860 OCCCNC1(CCCC1)c2cccnc2 c6b42ff98df3e0796930b0a419ee187e [0,0,1,0,1,0|2,0,0]=4 443 B17R2.45860 OCCCNC1(CCOC1)c2ccccc2 873cde74455fe3c64f6de7c7167176cd [0,0,1,0,1,0|2,0,0]=4 444 B17R2.45860 SCCCNC1(CCCC1)c2cccnc2 9fb494da39eccc38e93f504d37dea44e [0,0,1,0,1,0|2,0,0]=4 445 B19R2.422 CCCOC[C@@H](Cc1ccccc1)N2CCCC2 a0545489552008fc75074f36ced22f82 [0,0,1,0,0,1|1,0,0]=3 446 B19R2.422 CSCOC[C@@H](Cc1ccccc1)N2CCCC2 280fa16340a39532f5d9b1befe62792b [0,0,1,0,0,1|2,0,0]=4 447 B19R2.422 FCCOC[C@@H](Cc1ccccc1)N2CCCC2 1e2294970749eee706de17ab0f8b21a5 [0,0,1,0,0,1|2,0,0]=4 448 B19R2.422 SCCOC[C@@H](Cc1ccccc1)N2CCCC2 7fd6ae01ae0bb17c426e4361fe8ebc04 [0,0,1,0,0,1|2,0,0]=4 449 B19R2.2467 CCCCCC(NC1CCCC1)c2ccccc2 e3be4f7b08ff3edc1a3212871755e190 [0,0,1,0,0,1|1,0,0]=3 450 B19R2.2467 CCCCCN(CC1CCCC1)c2ccccc2 443231acb49b42d18dcd81f3a6b2687d [0,0,1,0,0,1|2,0,0]=4 451 B19R2.2467 CCCCOC(CN1CCCC1)c2ccccc2 796ae32e8c9a24f847cb93346570e22e [0,0,1,0,0,1|1,0,0]=3 452 B19R2.2467 CCCOCC(CN1CCCC1)c2ccccc2 e4d81ce765fa4c13ec118d5b38c39e50 [0,0,1,0,0,1|1,0,0]=3 453 B19R2.2467 COCCOC(CN1CCCC1)c2ccccc2 ce35e8c7b76cf5156ac57e42874d3159 [0,0,1,0,0,1|2,0,0]=4 454 B19R2.2467 COCOCC(CN1CCCC1)c2ccccc2 532d5727a6d0ae98932aada92c08186a [0,0,1,0,0,1|2,0,0]=4 455 B19R2.2467 CSCCOC(CN1CCCC1)c2ccccc2 75efc48a724d5408d35d3633f9d7ea4d [0,0,1,0,0,1|2,0,0]=4 456 B19R2.2467 CSCOCC(CN1CCCC1)c2ccccc2 32abc913a9022b666d8213f7753524bd [0,0,1,0,0,1|2,0,0]=4 457 B19R2.2467 FCCCOC(CN1CCCC1)c2ccccc2 fc07f6f16135d6934bb004e5a4f5df6d [0,0,1,0,0,1|2,0,0]=4 458 B19R2.2467 FCCOCC(CN1CCCC1)c2ccccc2 561abc1917494dbce43a2bd6f06bb333 [0,0,1,0,0,1|2,0,0]=4 459 B19R2.2467 SCCCOC(CN1CCCC1)c2ccccc2 a0bbeaac092ca4b3f4f0a3cd8b50d25f [0,0,1,0,0,1|2,0,0]=4 460 B19R2.2467 SCCOCC(CN1CCCC1)c2ccccc2 4af695d4761139ef7fb9929a9a8129b5 [0,0,1,0,0,1|2,0,0]=4 461 B19R2.2474 CCCCCN(c1ccccc1)C2CCCCC2 4ebf7c6808e0ee45aac857061411f4ff [0,0,1,0,0,1|2,0,0]=4 462 B19R2.2474 CCCCNC(c1ccccc1)C2CCCCC2 933bfd4eb5d313d1e9363aa3fd411b81 [0,0,1,0,0,1|2,0,0]=4 463 B19R2.2474 CCCCNC(c1ccccc1)C2CCOCC2 7cfd6b511cdf19f90af2a37f9f5aa22b [0,0,1,0,0,1|2,0,0]=4 464 B19R2.2474 CCCCOC(c1ccccc1)C2CCCCC2 2929b4c003b97702a329fa63a69609b4 [0,0,1,0,0,1|2,0,0]=4 465 B19R2.2474 CCCCOC(c1ccccc1)C2CCOCC2 c580e2f89b8809ecd02c80b4bed03759 [0,0,1,0,0,1|2,0,0]=4 466 B19R2.2474 CCCCO[C@@H](c1ccccc1)C2CCOCC2 9adf51c4089b3ea681fcf5a13c085e12 [0,0,1,0,0,1|2,0,0]=4 467 B19R2.2474 CCCCO[C@H](c1ccccc1)C2CCOCC2 aa1247cec97f4d5c651bc418e13825d7 [0,0,1,0,0,1|2,0,0]=4 468 B19R2.2474 CCCNCC(c1ccccc1)C2CCCCC2 148a527c99a1ca0fb38ca1b39a739dbe [0,0,1,0,0,1|2,0,0]=4 469 B19R2.2474 CCCNCC(c1ccccn1)N2CCOCC2 6c4d69534397369d1f337915bd63a5c8 [0,0,1,0,0,1|2,0,0]=4 470 B19R2.2474 CCCNCC(c1cccnc1)N2CCOCC2 a808cde16ffadcff1ae403bdc1945e6a [0,0,1,0,0,1|2,0,0]=4 471 B19R2.2474 CCCNCC(c1ccncc1)N2CCOCC2 d2a86918ddbec2bfed33065d4c024b97 [0,0,1,0,0,1|2,0,0]=4 472 B19R2.2474 COCNCC(c1ccccc1)N2CCOCC2 a872b4be0b12b8937c14517f6e0bc200 [0,0,1,0,0,1|2,0,0]=4 473 B19R2.2474 CSCNCC(c1ccccc1)N2CCOCC2 f9db6ae853a90be3fba1033715dd746d [0,0,1,0,0,1|2,0,0]=4 474 B19R2.2474 FCCNCC(c1ccccc1)N2CCOCC2 e08c203c37b47f2c55ec76f1f990a6f1 [0,0,1,0,0,1|2,0,0]=4 475 B19R2.2474 OCCNCC(c1ccccc1)N2CCOCC2 5fd63093779ede9483f58537258fd160 [0,0,1,0,0,1|2,0,0]=4 476 B19R2.2474 SCCNCC(c1ccccc1)N2CCOCC2 06deaeb9b7439647461f148ed00806af [0,0,1,0,0,1|2,0,0]=4 477 B19R2.1011489 CCC(CC)OC1(CCCCC1)c2ccncc2 3f02a2c75858767be1e95b7a202c4aab [0,0,1,0,0,1|2,0,0]=4 478 B19R2.198479 COCCOC1(CCCCCC1)c2ccccc2 79bda1296f162ac7ce2372d7c419bca2 [0,0,1,0,0,1|2,0,0]=4 479 B19R3.1761377 c1ccc(nc1)C2(CCCC2)OC3CCCC3 c50d733447e65dc969293e51559c5f88 [0,0,0,0,1,1|2,0,0]=4 480 B21R3.13902945 c1ccc(cc1)C2(CCOCC2)NCC3CCCC3 575157cd497589c03fd971bdf84ef37a [0,0,0,0,0,2|2,0,0]=4 481 B21R3.13902945 c1ccc(cc1)C2(CCOCC2)OCC3CCCC3 1216deaa795c5e8c1f39bafccde512ae [0,0,0,0,0,2|2,0,0]=4