0 B22R3.832291 CCCC(Nc1cccc2c1cccn2)c3cccs3 27a_200015187693_100011290932 [1,0,0,0,0,0|2,0,0]=3 1 B22R3.832291 CCCC(Nc1cccc2c1cncn2)c3cccs3 27a_200015187693_100009814520 [1,0,0,0,0,0|3,0,0]=4 2 B22R3.832291 CCCC(Nc1cccc2c1nccn2)c3cccs3 27a_200015187693_100010003881 [1,0,0,0,0,0|3,0,0]=4 3 B22R3.832291 CCCC(Nc1cccc2c1ncnc2)c3cccs3 27a_200015187693_100010246313 [1,0,0,0,0,0|3,0,0]=4 4 B22R3.832291 CCCC(Nc1ccnc2c1cccc2)c3cccs3 27a_200015187693_100011215880 [1,0,0,0,0,0|2,0,0]=3 5 B22R3.832291 CCCC(Nc1ccnc2c1cccn2)c3cccs3 27a_200015187693_100000087570 [1,0,0,0,0,0|3,0,0]=4 6 B22R3.832291 CCCC(Nc1ccnc2c1cncc2)c3cccs3 27a_200015187693_100000095135 [1,0,0,0,0,0|3,0,0]=4 7 B22R3.832291 CCCC(Nc1cncc2c1cccn2)c3cccs3 27a_200015187693_100010211308 [1,0,0,0,0,0|3,0,0]=4 8 B22R3.832291 CCCC(Nc1cnnc2c1cccc2)c3cccs3 27a_200015187693_100000063506 [1,0,0,0,0,0|3,0,0]=4 9 B22R3.832291 CCCC(Nc1nccc2c1cccc2)c3cccs3 27a_200015187693_100011934041 [1,0,0,0,0,0|2,0,0]=3 10 B22R3.832291 CCCC(Nc1nccc2c1cccn2)c3cccs3 27a_200015187693_100000077681 [1,0,0,0,0,0|3,0,0]=4 11 B22R3.832291 CCCC(Nc1nccc2c1cncc2)c3cccs3 27a_200015187693_100000116921 [1,0,0,0,0,0|3,0,0]=4 12 B22R3.832291 CCCC(Nc1nccc2c1nccc2)c3cccs3 27a_200015187693_100010063729 [1,0,0,0,0,0|3,0,0]=4 13 B22R3.832291 CCCC(Nc1ncnc2c1cccc2)c3cccs3 27a_200015187693_100000217608 [1,0,0,0,0,0|3,0,0]=4 14 B24R3.40411772 CN(C)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 2230a_100016998221_200000210301 [0,1,0,0,0,0|0,0,0]=1 15 B24R3.40411772 CN(C)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 269982a_100016998221_200000210301 [0,1,0,0,0,0|0,0,0]=1 16 B24R3.40411772 CN([13CH3])CC[C@H](Oc1cccc2c1cccc2)c3cccs3 2230a_100016998221_200025704644 [0,1,0,0,0,0|0,0,0]=1 17 B24R3.40411772 CN([13CH3])CC[C@H](Oc1cccc2c1cccc2)c3cccs3 269982a_100016998221_200025704644 [0,1,0,0,0,0|0,0,0]=1 18 B24R4.7025 c1csc(c1)C2CCCCN2c3cccc4c3cccn4 27a_200011804124_100011290932 [0,0,0,1,0,0|3,0,0]=4 19 B24R4.7025 c1csc(c1)C2CCCCN2c3ccnc4c3cccc4 27a_200011804124_100011215880 [0,0,0,1,0,0|3,0,0]=4 20 B24R4.7025 c1csc(c1)C2CCCCN2c3nccc4c3cccc4 27a_200011804124_100011934041 [0,0,0,1,0,0|3,0,0]=4 21 B24R3.2047265 CCCCN(Cc1cccs1)Cc2cccc3c2cccc3 2230a_200000200673_100011261445 [0,0,0,0,0,1|3,0,0]=4 22 B24R3.2047265 CCCCN(Cc1cccs1)Cc2cccc3c2cccc3 269982a_200000200673_100000188474 [0,0,0,0,0,1|3,0,0]=4 23 B24R3.2047265 CCCCN(Cc1cccs1)Cc2cccc3c2cccc3 270004a_200000200673_100000210074 [0,0,0,0,0,1|3,0,0]=4 24 B24R3.2047265 COCCN(Cc1cccs1)Cc2cccc3c2cccc3 2230a_100000195474_100011261445 [0,0,0,0,0,1|3,0,0]=4 25 B24R3.2047265 COCCN(Cc1cccs1)Cc2cccc3c2cccc3 269982a_100000195474_100000188474 [0,0,0,0,0,1|3,0,0]=4 26 B24R3.2047265 COCCN(Cc1cccs1)Cc2cccc3c2cccc3 270004a_100000195474_100000210074 [0,0,0,0,0,1|3,0,0]=4 27 B24R3.2047265 COCCN(Cc1cccs1)Cc2cccc3c2cccc3 270004a_100000265967_100000209959 [0,0,0,0,0,1|3,0,0]=4 28 B24R3.2462324 CCCCC(=NNc1cccc2c1cccc2)c3cccs3 4a_100000006939_200011267864 [0,0,0,0,0,1|2,0,1]=4 29 B24R3.2462324 CCCCC(NCc1cccc2c1cccc2)c3ccco3 269862a_100000753325_200011535251 [0,0,0,0,0,1|2,1,0]=4 30 B24R3.2462324 CCCCC(NCc1cccc2c1cccc2)c3cccs3 269862a_100000753325_200011267864 [0,0,0,0,0,1|2,0,0]=3 31 B24R3.2462324 CCCCC(NCc1cccc2c1cccn2)c3cccs3 269862a_100020628785_200011267864 [0,0,0,0,0,1|3,0,0]=4 32 B24R3.2462324 CCCCC(NCc1cccc2c1ccnc2)c3cccs3 269862a_100011757365_200011267864 [0,0,0,0,0,1|3,0,0]=4 33 B24R3.2462324 CCCCC(NCc1cccc2c1nccc2)c3cccs3 269862a_100011195829_200011267864 [0,0,0,0,0,1|3,0,0]=4 34 B24R3.2462324 CCCCC(NCc1ccnc2c1cccc2)c3cccs3 269862a_100015187208_200011267864 [0,0,0,0,0,1|3,0,0]=4 35 B21R2.32620 C=Cc1ccccc1C(=O)NC(CCC)c2cccs2 1626a_200015187693_100011830265 [1,0,1,0,0,0|2,0,0]=4 36 B21R3.901763 CCC(Nc1cccc2c1cccn2)c3cccs3 27a_100000743277_100011290932 [2,0,0,0,0,0|2,0,0]=4 37 B21R3.901763 CCC(Nc1ccnc2c1cccc2)c3cccs3 27a_100000743277_100011215880 [2,0,0,0,0,0|2,0,0]=4 38 B21R3.901763 CCC(Nc1nccc2c1cccc2)c3cccs3 27a_100000743277_100011934041 [2,0,0,0,0,0|2,0,0]=4 39 B23R3.2706819 CCCC(Nc1ccc(c2c1ccnc2)F)c3cccs3 27a_200015187693_100000698020 [1,1,0,0,0,0|2,0,0]=4 40 B23R3.2706819 CCCC(Nc1ccc(c2c1cncc2)F)c3cccs3 27a_200015187693_100010244717 [1,1,0,0,0,0|2,0,0]=4 41 B23R3.2706819 CCCC(Nc1ccc(c2c1nccc2)F)c3cccs3 27a_200015187693_100010214461 [1,1,0,0,0,0|2,0,0]=4 42 B23R3.2706819 CCCC(Nc1ncc(c2c1cccc2)C)c3cccs3 27a_200015187693_100000112005 [1,1,0,0,0,0|2,0,0]=4 43 B23R3.2707730 CCCC(Nc1cc(=O)[nH]c2c1cccc2)c3cccs3 27a_200015187693_100000075698 [1,1,0,0,0,0|2,0,0]=4 44 B23R3.2707730 CCCC(Nc1cc(cc2c1nccc2)F)c3cccs3 27a_200015187693_100010214460 [1,1,0,0,0,0|2,0,0]=4 45 B23R3.2707730 CCCC(Nc1cc(nc2c1cccc2)C)c3cccs3 27a_200015187693_100000735862 [1,1,0,0,0,0|2,0,0]=4 46 B23R3.2707730 CCCC(Nc1nc(cc2c1cccc2)C)c3cccs3 27a_200015187693_100000698243 [1,1,0,0,0,0|2,0,0]=4 47 B23R3.2712432 CCCC(Nc1c(cnc2c1cccc2)C)c3cccs3 27a_200015187693_100000092342 [1,1,0,0,0,0|2,0,0]=4 48 B23R3.20471594 CCCC(Nc1cccc2c1ccc(n2)C)c3cccs3 27a_200015187693_100010173736 [1,1,0,0,0,0|2,0,0]=4 49 B23R3.20471594 CCCC(Nc1ccnc2c1ccc(c2)Cl)c3cccs3 27a_200015187693_100012352046 [1,1,0,0,0,0|2,0,0]=4 50 B23R3.20471594 CCCC(Nc1ccnc2c1ccc(c2)F)c3cccs3 27a_200015187693_100000755548 [1,1,0,0,0,0|2,0,0]=4 51 B23R3.20471594 CCCC(Nc1ccnc2c1ccc(c2)O)c3cccs3 27a_200015187693_100000045489 [1,1,0,0,0,0|2,0,0]=4 52 B23R3.20471594 CCCC(Nc1nccc2c1ccc(c2)C)c3cccs3 27a_200015187693_100000102439 [1,1,0,0,0,0|2,0,0]=4 53 B23R3.20471594 CCCC(Nc1nccc2c1ccc(c2)F)c3cccs3 27a_200015187693_100000097391 [1,1,0,0,0,0|2,0,0]=4 54 B23R3.20471740 CCCC(Nc1cccc2c1nccc2C)c3cccs3 27a_200015187693_100010254272 [1,1,0,0,0,0|2,0,0]=4 55 B23R3.20471740 CCCC(Nc1ccnc2c1cccc2C)c3cccs3 27a_200015187693_100000751276 [1,1,0,0,0,0|2,0,0]=4 56 B23R3.20471740 CCCC(Nc1ccnc2c1cccc2F)c3cccs3 27a_200015187693_100000751275 [1,1,0,0,0,0|2,0,0]=4 57 B23R3.20471740 CCCC(Nc1ccnc2c1cccc2N)c3cccs3 27a_200015187693_100009892510 [1,1,0,0,0,0|2,0,0]=4 58 B23R3.20471740 CCCC(Nc1ccnc2c1cccc2O)c3cccs3 27a_200015187693_100000703299 [1,1,0,0,0,0|2,0,0]=4 59 B23R3.20471740 CCCC(Nc1nccc2c1cccc2C)c3cccs3 27a_200015187693_100012002547 [1,1,0,0,0,0|2,0,0]=4 60 B23R3.20471740 CCCC(Nc1nccc2c1cccc2F)c3cccs3 27a_200015187693_100012180906 [1,1,0,0,0,0|2,0,0]=4 61 B23R3.20471740 CCCC(Nc1nccc2c1cccc2N)c3cccs3 27a_200015187693_100000070072 [1,1,0,0,0,0|2,0,0]=4 62 B23R3.160109446 CCCC(Nc1ccnc2c1c(ccc2)N)c3cccs3 27a_200015187693_100010263589 [1,1,0,0,0,0|2,0,0]=4 63 B23R3.160109773 CCCC(Nc1ccnc2c1cc(cc2)C)c3cccs3 27a_200015187693_100000751279 [1,1,0,0,0,0|2,0,0]=4 64 B23R3.160109773 CCCC(Nc1ccnc2c1cc(cc2)F)c3cccs3 27a_200015187693_100011217270 [1,1,0,0,0,0|2,0,0]=4 65 B23R3.160109773 CCCC(Nc1ccnc2c1cc(cc2)N)c3cccs3 27a_200015187693_100009879071 [1,1,0,0,0,0|2,0,0]=4 66 B23R3.160109773 CCCC(Nc1nccc2c1cc(cc2)F)c3cccs3 27a_200015187693_100010202866 [1,1,0,0,0,0|2,0,0]=4 67 B25R3.47356081 CCN(C)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 2230a_100016998221_100000210202 [0,2,0,0,0,0|0,0,0]=2 68 B25R3.47356081 CCN(C)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 269982a_100016998221_100000204670 [0,2,0,0,0,0|0,0,0]=2 69 B25R3.47356081 CN(CF)CC[C@H](Oc1cccc2c1cccc2)c3cccs3 269982a_100016998221_100015361967 [0,2,0,0,0,0|0,0,0]=2 70 B23R4.5193 c1csc(c1)C2CCCN2c3cccc4c3cccn4 27a_100000185107_100011290932 [1,0,0,1,0,0|2,0,0]=4 71 B23R4.5193 c1csc(c1)C2CCCN2c3ccnc4c3cccc4 27a_100000185107_100011215880 [1,0,0,1,0,0|2,0,0]=4 72 B23R4.5193 c1csc(c1)C2CCCN2c3nccc4c3cccc4 27a_100000185107_100011934041 [1,0,0,1,0,0|2,0,0]=4 73 B23R3.91321 CCCN(Cc1cccs1)Cc2cccc3c2cccc3 2230a_200000186944_100011261445 [1,0,0,0,0,1|2,0,0]=4 74 B23R3.91321 CCCN(Cc1cccs1)Cc2cccc3c2cccc3 269982a_200000186944_100000188474 [1,0,0,0,0,1|2,0,0]=4 75 B23R3.91321 CCCN(Cc1cccs1)Cc2cccc3c2cccc3 270004a_200000186944_100000210074 [1,0,0,0,0,1|2,0,0]=4 76 B23R3.1010831 ClCCC(Oc1cccc2c1cccc2)c3ccccc3 7a_100000210388_200010132975 [1,0,0,0,0,1|2,0,0]=4 77 B23R3.1900503 CCCC(=NNc1cccc2c1cccc2)c3cccs3 4a_100000006939_100011218182 [1,0,0,0,0,1|1,0,1]=4 78 B23R3.1900503 CCCC(NCc1cccc2c1cccc2)c3ccco3 269862a_100000753325_200011535218 [1,0,0,0,0,1|1,1,0]=4 79 B23R3.1900503 CCCC(NCc1cccc2c1cccc2)c3cccs3 207a_200015187693_100000210074 [1,0,0,0,0,1|1,0,0]=3 80 B23R3.1900503 CCCC(NCc1cccc2c1cccc2)c3cccs3 2230a_200015187693_100011261445 [1,0,0,0,0,1|1,0,0]=3 81 B23R3.1900503 CCCC(NCc1cccc2c1cccc2)c3cccs3 269862a_100000753325_100011218182 [1,0,0,0,0,1|1,0,0]=3 82 B23R3.1900503 CCCC(NCc1cccc2c1cccc2)c3cccs3 270004a_200015187693_100000210074 [1,0,0,0,0,1|1,0,0]=3 83 B23R3.1900503 CCCC(NCc1cccc2c1cccc2)c3cccs3 34a_200015187693_100011261445 [1,0,0,0,0,1|1,0,0]=3 84 B23R3.1900503 CCCC(NCc1cccc2c1cccn2)c3cccs3 207a_200015187693_100000708479 [1,0,0,0,0,1|2,0,0]=4 85 B23R3.1900503 CCCC(NCc1cccc2c1cccn2)c3cccs3 269862a_100020628785_100011218182 [1,0,0,0,0,1|2,0,0]=4 86 B23R3.1900503 CCCC(NCc1cccc2c1cccn2)c3cccs3 270004a_200015187693_100000708479 [1,0,0,0,0,1|2,0,0]=4 87 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 207a_200015187693_100000750165 [1,0,0,0,0,1|2,0,0]=4 88 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 2230a_200015187693_100016989825 [1,0,0,0,0,1|2,0,0]=4 89 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 269862a_100011757365_100011218182 [1,0,0,0,0,1|2,0,0]=4 90 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 270004a_200015187693_100000750165 [1,0,0,0,0,1|2,0,0]=4 91 B23R3.1900503 CCCC(NCc1cccc2c1ccnc2)c3cccs3 34a_200015187693_100016989825 [1,0,0,0,0,1|2,0,0]=4 92 B23R3.1900503 CCCC(NCc1cccc2c1cncc2)c3cccs3 207a_200015187693_100011934574 [1,0,0,0,0,1|2,0,0]=4 93 B23R3.1900503 CCCC(NCc1cccc2c1cncc2)c3cccs3 270004a_200015187693_100011934574 [1,0,0,0,0,1|2,0,0]=4 94 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 207a_200015187693_100000239888 [1,0,0,0,0,1|2,0,0]=4 95 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 2230a_200015187693_100000241032 [1,0,0,0,0,1|2,0,0]=4 96 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 269862a_100011195829_100011218182 [1,0,0,0,0,1|2,0,0]=4 97 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 270004a_200015187693_100000239888 [1,0,0,0,0,1|2,0,0]=4 98 B23R3.1900503 CCCC(NCc1cccc2c1nccc2)c3cccs3 34a_200015187693_100000241032 [1,0,0,0,0,1|2,0,0]=4 99 B23R3.1900503 CCCC(NCc1ccnc2c1cccc2)c3cccs3 2230a_200015187693_100015192512 [1,0,0,0,0,1|2,0,0]=4 100 B23R3.1900503 CCCC(NCc1ccnc2c1cccc2)c3cccs3 269862a_100015187208_100011218182 [1,0,0,0,0,1|2,0,0]=4 101 B23R3.1900503 CCCC(NCc1ccnc2c1cccc2)c3cccs3 34a_200015187693_100015192512 [1,0,0,0,0,1|2,0,0]=4 102 B23R3.1900503 CCCC(NCc1cncc2c1cccc2)c3cccs3 207a_200015187693_100000684730 [1,0,0,0,0,1|2,0,0]=4 103 B23R3.1900503 CCCC(NCc1cncc2c1cccc2)c3cccs3 270004a_200015187693_100000684730 [1,0,0,0,0,1|2,0,0]=4 104 B23R3.1900503 CCCC(NCc1nccc2c1cccc2)c3cccs3 207a_200015187693_100011361464 [1,0,0,0,0,1|2,0,0]=4 105 B23R3.1900503 CCCC(NCc1nccc2c1cccc2)c3cccs3 2230a_200015187693_100000033776 [1,0,0,0,0,1|2,0,0]=4 106 B23R3.1900503 CCCC(NCc1nccc2c1cccc2)c3cccs3 270004a_200015187693_100011361464 [1,0,0,0,0,1|2,0,0]=4 107 B23R3.1900503 CCCC(NCc1nccc2c1cccc2)c3cccs3 34a_200015187693_100000033776 [1,0,0,0,0,1|2,0,0]=4 108 B25R3.2658392 CNCCC(NCc1cccc2c1cccc2)c3ccccc3 269862a_100000753325_100015249630 [0,0,0,0,0,2|2,0,0]=4 109 B25R3.2666336 CCCCC(NCCc1cccc2c1cccc2)c3cccs3 269862a_100000751862_200011267864 [0,0,0,0,0,2|2,0,0]=4