0 B30R3.1773997 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCC(=O)N)/c3ccccc3 4156c6e465311f037abf8636ad29fd0f [0,0,0,0,0,0|3,0,0]=3 1 B30R3.1773997 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCC(=O)O)/c3ccccc3 4c67f7f3bef6c39c5e523240efaa957d [0,0,0,0,0,0|3,0,0]=3 2 B30R3.1773997 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCN(C)C)/c3ccccc3 0dcfb1b85ca9908853d3459e72ea23b5 [0,0,0,0,0,0|0,0,0]=0 3 B30R3.1773997 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCS(=O)C)/c3ccccc3 6518fbdc85dd3596127fb7573aeca8cf [0,0,0,0,0,0|2,0,0]=2 4 B30R3.1773997 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCOC(=O)C)/c3ccccc3 7c00d252a43d2d70dfc9a5d04f518a88 [0,0,0,0,0,0|3,0,0]=3 5 B29R3.7112308 CN(C)CCNc1ccc(cc1)N(C(=O)c2ccccc2)c3ccccc3 56be73525431a998c73e7561acf908b9 [1,0,0,0,0,0|3,0,0]=4 6 B31R3.1664624 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCS(=O)(=O)C)/c3ccccc3 fd50c6d4866e468511201a10f01b5135 [0,1,0,0,0,0|2,0,0]=3 7 B31R3.1664624 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCS(=O)(=O)O)/c3ccccc3 1c38876f197b16868b5e8f6b02587673 [0,1,0,0,0,0|3,0,0]=4 8 B31R3.11619186 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCC(=O)NC)/c3ccccc3 78d926c49726e3bed0d0e3a63bc6c90b [0,1,0,0,0,0|2,0,0]=3 9 B31R3.11619186 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCC(=O)OC)/c3ccccc3 69fa2ee72342bc1cc7dcefb2146919eb [0,1,0,0,0,0|2,0,0]=3 10 B31R3.222770614 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(=O)C(=O)C)/c3ccccc3 75ab7046ee180bc7e0ee35c260889486 [0,1,0,0,0,0|2,0,1]=4 11 B31R3.222770614 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(=O)N(C)C)/c3ccccc3 f270cf6f8ae9f59cb3796502fe6f256f [0,1,0,0,0,0|0,0,1]=2 12 B31R4.301249 CN(C)CCOc1ccc(cn1)c2c(ccc3c2cccc3)c4ccccc4 047227f784b564575d9ff275e69b437f [0,0,0,1,0,0|1,0,2]=4 13 B31R4.503876 CN(C)CCOc1ccc(cc1)N(c2ccccc2)c3n[nH]c4c3cccc4 31676b83e8ea3a951568e576e3916653 [0,0,0,1,0,0|3,0,0]=4 14 B31R4.5853667 CN(C)CCOc1ccc(cc1)c2c(n(c3c2cccn3)C)c4ccccc4 a62b4f0f0af14decf83d086cc2df01ed [0,0,0,1,0,0|2,0,0]=3 15 B29R3.1882179 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(=O)N)/c3ccccc3 64ece58607fdef9bf8f289cd82323477 [0,0,0,0,1,0|3,0,0]=4 16 B29R3.1882179 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(=O)O)/c3ccccc3 8dee39f363cd168ce08603da042a5fdd [0,0,0,0,1,0|3,0,0]=4 17 B29R3.1882179 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCN(C)C)/c3ccccc3 1b98384cbcda19553d79eff005125bef [0,0,0,0,1,0|0,0,0]=1 18 B29R3.1882179 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OC[N+](=O)[O-])/c3ccccc3 5e7f8ffe7fc9766049bfcf7e80f7d55b [0,0,0,0,1,0|2,0,1]=4 19 B31R3.1460048 CN(C)CCOc1ccc(cc1)N(Cc2ccccc2)C(CO)c3ccccc3 e176cecefa5f71751e05abfbd5a9cca6 [0,0,0,0,0,1|2,0,1]=4 20 B31R3.1460048 CN(C)CCOc1ccc(cc1)N(Cc2ccccc2)[C@@H](CO)c3ccccc3 8e89a3ca9589d94b75c375db6074f1d0 [0,0,0,0,0,1|2,0,1]=4 21 B31R3.1664625 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCCC(=O)N)/c3ccccc3 b2baee1a3af7439935b2f1b06715aafa [0,0,0,0,0,1|3,0,0]=4 22 B31R3.1664625 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNC(=O)C)/c3ccccc3 3590dd0f27bec1be5954c9244483ea3e [0,0,0,0,0,1|2,0,0]=3 23 B31R3.1664625 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNC(=O)N)/c3ccccc3 36ac89de43968b76f1ce66287d442eaa [0,0,0,0,0,1|3,0,0]=4 24 B31R3.1664625 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCOC(=O)C)/c3ccccc3 b4b77a5573b230ed71db0a0776c8ec59 [0,0,0,0,0,1|2,0,0]=3 25 B28R3.2529695 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC#N)/c3ccccc3 096a673997eec19539b43b66f6514455 [2,0,0,0,0,0|0,0,2]=4 26 B28R3.2529695 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC=O)/c3ccccc3 f621f4638f1fefc4708e99cf40155173 [2,0,0,0,0,0|1,0,1]=4 27 B30R3.12298572 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(=O)NC)/c3ccccc3 8ffaea599c3b8cfae0b5e024bc196618 [1,1,0,0,0,0|0,0,1]=3 28 B30R3.12298572 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(=O)OC)/c3ccccc3 950f6e73afa874fe60116e1f6c67aea1 [1,1,0,0,0,0|1,0,1]=4 29 B30R3.12298572 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(O)CO)/c3ccccc3 d554394058f107fab866f4f7e3a25ec9 [1,1,0,0,0,0|2,0,0]=4 30 B30R3.12298572 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OC[C@@H](O)CO)/c3ccccc3 4515bcf1885c7a4a998e65fb81eb2591 [1,1,0,0,0,0|2,0,0]=4 31 B30R3.12298572 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OC[C@H](O)CO)/c3ccccc3 3770ed19e39f101c6ab30edd7e99285b [1,1,0,0,0,0|2,0,0]=4 32 B30R3.12794138 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNC#N)/c3ccccc3 32c4591f8e11c8472da2b7bc00d5d631 [1,1,0,0,0,0|0,0,1]=3 33 B30R3.243432575 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCS(=O)(=O)C)/c3ccccc3 c46d9c2159323a433dea9a922b6a79b9 [0,1,0,0,1,0|2,0,0]=4 34 B32R3.1516904 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCC(=O)N(C)C)/c3ccccc3 959853b4fd43c9f3400b5947c87ed40a [0,1,0,0,0,1|0,0,0]=2 35 B32R3.13591358 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCCC(=O)NC)/c3ccccc3 16b1c0716a457177062908fb578695f6 [0,1,0,0,0,1|2,0,0]=4 36 B32R3.13591358 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNC(C)C#N)/c3ccccc3 aeab12f71d14fffc88209463e33b5eb5 [0,1,0,0,0,1|1,0,1]=4 37 B32R3.13591358 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNC(C)CO)/c3ccccc3 72e9825b75e5946276e1bff768e95601 [0,1,0,0,0,1|1,0,0]=3 38 B32R3.13591358 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCN[C@@H](C)CO)/c3ccccc3 d9423babedc3a4fe573cc5f68ef332b7 [0,1,0,0,0,1|1,0,0]=3 39 B32R3.13591358 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCN[C@H](C)CO)/c3ccccc3 7d279eadba8636e275af1e1ed872988c [0,1,0,0,0,1|1,0,0]=3 40 B32R3.236203736 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(=O)NC(C)C)/c3ccccc3 26083c000fd45fb3133866a24e43ad77 [0,1,0,0,0,1|1,0,1]=4 41 B32R3.236203776 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCCS(=O)(=O)C)/c3ccccc3 5c0e2878e93a5307d53d348890f0dc5c [0,1,0,0,0,1|2,0,0]=4 42 B32R3.236203776 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNS(=O)(=O)C)/c3ccccc3 5f9f5cf8042d6de99be13f1950b976fa [0,1,0,0,0,1|2,0,0]=4 43 B32R3.236203776 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCOS(=O)(=O)C)/c3ccccc3 5105872e86cfb76fc1b1428daaa2567b [0,1,0,0,0,1|2,0,0]=4 44 B32R3.236203757 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(=O)C(C)(C)O)/c3ccccc3 e5ae6520deac5d9c182d4cb0500cab8a [0,2,0,0,0,0|1,0,1]=4 45 B32R3.236203870 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCS(=O)(=O)CC)/c3ccccc3 7dfaf25fb829ce7169c63d0bd3fd95e6 [0,2,0,0,0,0|2,0,0]=4 46 B32R3.343874 C#CCN(C)CCOc1ccc(cc1)/C(=C(\CC)/c2ccccc2)/c3ccccc3 b37fee0b651d6717e9fa85a3b59c4eeb [0,2,0,0,0,0|0,0,0]=2 47 B32R3.343874 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCN(C)CC#N)/c3ccccc3 2d8a8909f8aa7747e7ee030b3f13b895 [0,2,0,0,0,0|0,0,0]=2 48 B32R3.343874 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCN(C)CCO)/c3ccccc3 4020c5a179c3c90eb613549fc3678a2b [0,2,0,0,0,0|0,0,0]=2 49 B32R3.343874 CCNC(=O)CCOc1ccc(cc1)/C(=C(\CC)/c2ccccc2)/c3ccccc3 ce6e9201f590c41937e2d06accb9b383 [0,2,0,0,0,0|2,0,0]=4 50 B32R3.1091520 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC(=O)N(C)CC)/c3ccccc3 86def7ab53d9acaf3fa249d7f85cb4de [0,2,0,0,0,0|0,0,1]=3 51 B32R3.169701893 CC/C(=C(/c1ccc(cc1)O)\c2ccc(cc2)OCCN(C)C=O)/c3ccccc3 a4f012edd28c6a4b1bbc25ec8536e16c [0,2,0,0,0,0|0,0,1]=3 52 B32R3.169701893 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C=O)/c3ccccc3 896474a846119b2cd0ad5ebafc753f72 [0,2,0,0,0,0|0,0,1]=3 53 B32R3.169701893 CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCCN(C)C=O)c3ccccc3 443e2ea08ab2960df27c404b99ad02d7 [0,2,0,0,0,0|0,0,1]=3 54 B32R3.1290996044 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCS(=O)(=O)N(C)C)/c3ccccc3 e39155bf5bc8da88dda2459a5a1e6c0f [0,2,0,0,0,0|1,0,0]=3 55 B30R4.151003 CN(C)CCOc1ccc(cc1)c2c(c3ccccc3c4c2cccc4)F 2115800632bb32219a94b4d86fb46862 [1,0,0,1,0,0|1,0,0]=3 56 B30R4.151003 CN(C)CCOc1ccc(cn1)c2c(c3ccccc3c4c2cccc4)F 4276f84f6df87d88cc3b9d135b3f7cbd [1,0,0,1,0,0|2,0,0]=4 57 B30R4.20002 CNCCOc1ccc(cc1)c2c(ccc3c2cccc3)c4ccccc4 9250d882932975377c8997affc9b0860 [1,0,0,1,0,0|0,0,2]=4 58 B30R4.1734752 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OC3COC3)/c4ccccc4 6467dab5fd60ec663504b7c9fc359b3a [1,0,0,1,0,0|1,0,0]=3 59 B32R4.174895409 CN(C)CCOc1ccc(cc1)c2c(c3ccccc3n2c4ccccc4)C=O 55fd14255e4ebb56d7ca7459cd82f2a7 [0,0,0,1,0,1|1,0,1]=4 60 B32R4.5882448 CN(C)CCCOc1ccc(cc1)c2c(n(c3c2cccn3)C)c4ccccc4 0e527c634d6490fd0c8159544548d053 [0,0,0,1,0,1|2,0,0]=4 61 B32R4.457281975 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC3CC(=O)N3)/c4ccccc4 3fbc8edd23508982f9a28d009ed6989b [0,0,0,1,0,1|2,0,0]=4 62 B32R4.457281975 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC3CC(=O)O3)/c4ccccc4 5ad88528849269058a659fde3aa8c4cd [0,0,0,1,0,1|2,0,0]=4 63 B32R4.47434490 CN(C)CCOc1ccc(cc1)Nc2c(n(c3c2cccn3)C)c4ccccc4 fb4521646194de17cbf4c55dffc25372 [0,0,0,1,0,1|2,0,0]=4 64 B32R4.107996737 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC3COC3=O)/c4ccccc4 99bb4c33d4eb519a6522e163f6b390e3 [0,1,0,1,0,0|2,0,0]=4 65 B32R4.57235191 CN(C)CCOc1ccc(cc1F)c2c(n(c3c2cccn3)C)c4ccccc4 abfd0c103aa0bddfa1c0669c267ddc86 [0,1,0,1,0,0|2,0,0]=4 66 B32R4.57235192 CN(C)CCOc1ccc(cc1N)c2c(ccc3c2cccc3)c4ccccc4 bc2cfbc3e2f7de1417d9c106bbeef069 [0,1,0,1,0,0|0,0,2]=4 67 B30R3.8209469 CN(C)CCOc1ccc(cc1)NC(C(=O)c2ccccc2)c3ccccc3 a4a305e75fed6eb5e97530002d64106b [1,0,0,0,0,1|1,0,1]=4 68 B32R3.1516902 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCCNC(=O)C)/c3ccccc3 51ac32078f3e245252408879f5972407 [0,0,0,0,0,2|2,0,0]=4 69 B32R3.1516902 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNCC(=O)C)/c3ccccc3 267a609c28d8af784bcd8b9a2610be98 [0,0,0,0,0,2|2,0,0]=4 70 B32R3.1516902 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNCC(C)O)/c3ccccc3 c922b2d3b0262e23f2a65852cc9d8d94 [0,0,0,0,0,2|2,0,0]=4 71 B32R3.1516902 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNC[C@@H](C)O)/c3ccccc3 650bb8eebe5238915da7f81169a1bbf4 [0,0,0,0,0,2|2,0,0]=4 72 B32R3.1516902 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCNC[C@H](C)O)/c3ccccc3 90467e8580bf33eb322a788f53fe12ce [0,0,0,0,0,2|2,0,0]=4 73 B32R3.1516902 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCOCN(C)C)/c3ccccc3 7d64a44663b7503daa619c6c5a99936d [0,0,0,0,0,2|0,0,0]=2