0 B15R3.228782 CC(N)C12CC3CC(C1)CC(C3)C2 Z56872184 [0,0,0,0,0,0|0,0,0]=0 1 B15R3.228782 CC(O)C12CC3CC(C1)CC(C3)C2 Z56757712 [0,0,0,0,0,0|1,0,0]=1 2 B15R3.228782 C[C@@H](O)C12CC3CC(C1)CC(C3)C2 Z959151650 [0,0,0,0,0,0|1,0,0]=1 3 B15R3.228782 C[C@H](N)C12CC3CC(C1)CC(C3)C2 Z959151654 [0,0,0,0,0,0|0,0,0]=0 4 B15R3.228782 C[C@H](O)C12CC3CC(C1)CC(C3)C2 Z959151652 [0,0,0,0,0,0|1,0,0]=1 5 B15R3.228782 N=C(N)C12CC3CC(C1)CC(C3)C2 Z2453117970 [0,0,0,0,0,0|1,0,1]=2 6 B15R3.228782 NC(=O)C12CC3CC(C1)CC(C3)C2 Z56757306 [0,0,0,0,0,0|1,0,1]=2 7 B15R3.228782 O=C(O)C12CC3CC(C1)CC(C3)C2 Z56858228 [0,0,0,0,0,0|2,0,1]=3 8 B15R3.228782 O=C(O)C12CC3CC(C1)CC(C3)O2 Z1262513569 [0,0,0,0,0,0|3,0,1]=4 9 B14R3.47333 BrCC12CC3CC(C1)CC(C3)C2 Z56899178 [1,0,0,0,0,0|1,0,0]=2 10 B14R3.47333 C#CC12CC3CC(C1)CC(C3)C2 Z1486012435 [1,0,0,0,0,0|0,0,2]=3 11 B14R3.47333 ClCC12CC3CC(C1)CC(C3)C2 Z56979293 [1,0,0,0,0,0|1,0,0]=2 12 B14R3.47333 N#CC12CC3CC(C1)CC(C3)C2 Z56762557 [1,0,0,0,0,0|0,0,2]=3 13 B14R3.47333 NCC12CC3CC(C1)CC(C3)C2 Z56899180 [1,0,0,0,0,0|0,0,0]=1 14 B14R3.47333 O=CC12CC3CC(C1)CC(C3)C2 Z1079442548 [1,0,0,0,0,0|1,0,1]=3 15 B14R3.47333 O=CC12CC3CC(C1)CC(C3)O2 Z3574404780 [1,0,0,0,0,0|2,0,1]=4 16 B14R3.47333 OCC12CC3CC(C1)CC(C3)C2 Z56782532 [1,0,0,0,0,0|1,0,0]=2 17 B16R3.534761 NC1C2CC3CC1CC(C3)(C2)C(=O)O Z2418414170 [0,1,0,0,0,0|2,0,1]=4 18 B16R3.682473 C/C(=N\O)/C12CC3CC(C1)CC(C3)C2 Z49568754 [0,1,0,0,0,0|0,0,2]=3 19 B16R3.682473 CCC(=O)C12CC3CC(C1)CC(C3)C2 Z169916348 [0,1,0,0,0,0|1,0,1]=3 20 B16R3.682473 CCC(N)C12CC3CC(C1)CC(C3)C2 Z56347591 [0,1,0,0,0,0|0,0,0]=1 21 B16R3.682473 CCC(O)C12CC3CC(C1)CC(C3)C2 Z56802108 [0,1,0,0,0,0|1,0,0]=2 22 B16R3.682473 CCS(=O)C12CC3CC(C1)CC(C3)C2 Z1154897139 [0,1,0,0,0,0|2,0,0]=3 23 B16R3.682473 CNC(=O)C12CC3CC(C1)CC(C3)C2 Z56853704 [0,1,0,0,0,0|1,0,1]=3 24 B16R3.682473 CNC(C)C12CC3CC(C1)CC(C3)C2 Z5069218856 [0,1,0,0,0,0|0,0,0]=1 25 B16R3.682473 N/C(=N\O)/C12CC3CC(C1)CC(C3)C2 Z119927072 [0,1,0,0,0,0|1,0,1]=3 26 B16R3.682473 NC(CO)C12CC3CC(C1)CC(C3)C2 Z57068737 [0,1,0,0,0,0|0,0,0]=1 27 B16R3.682473 NCC(=O)C12CC3CC(C1)CC(C3)C2 Z2736255108 [0,1,0,0,0,0|1,0,1]=3 28 B16R3.682473 NCC(O)C12CC3CC(C1)CC(C3)C2 Z3244878097 [0,1,0,0,0,0|1,0,0]=2 29 B16R3.682473 NNC(=O)C12CC3CC(C1)CC(C3)C2 Z56771146 [0,1,0,0,0,0|1,0,1]=3 30 B16R3.682473 O=C(CBr)C12CC3CC(C1)CC(C3)C2 Z56757311 [0,1,0,0,0,0|1,0,1]=3 31 B16R3.682473 O=C(CCl)C12CC3CC(C1)CC(C3)C2 Z854066918 [0,1,0,0,0,0|1,0,1]=3 32 B16R3.682473 O=C(NO)C12CC3CC(C1)CC(C3)C2 Z56853707 [0,1,0,0,0,0|1,0,1]=3 33 B16R3.872633 CC(C)(O)C12CC3CC(C1)CC(C3)C2 Z56762559 [0,1,0,0,0,0|1,0,0]=2 34 B16R3.1170563 CC(=O)C12CC3CC(C1)CC(C3)(C2)O Z56867220 [0,1,0,0,0,0|1,0,1]=3 35 B16R3.1170563 CC(N)C12CC3CC(C1)CC(C3)(C2)O Z56870598 [0,1,0,0,0,0|0,0,0]=1 36 B16R3.1170563 CC12CC3CC(C1)CC(C3)(C2)C(=O)O Z56762201 [0,1,0,0,0,0|2,0,1]=4 37 B16R3.1170563 NC(=O)C12CC3CC(C1)CC(C3)(C2)Br Z57116740 [0,1,0,0,0,0|1,0,1]=3 38 B16R3.1170563 NC(=O)C12CC3CC(C1)CC(C3)(C2)Cl Z57098992 [0,1,0,0,0,0|1,0,1]=3 39 B16R3.1170563 O=C(O)C12CC3CC(C1)CC(C3)(C2)Br Z56757155 [0,1,0,0,0,0|2,0,1]=4 40 B16R3.1170563 O=C(O)C12CC3CC(C1)CC(C3)(C2)Cl Z56823505 [0,1,0,0,0,0|2,0,1]=4 41 B16R3.1170563 O=C(O)C12CC3CC(C1)CC(C3)(C2)O Z56757149 [0,1,0,0,0,0|2,0,1]=4 42 B16R3.651134 CC(=O)CC12CC3CC(C1)CC(C3)C2 Z56887720 [0,0,0,0,0,1|1,0,1]=3 43 B16R3.651134 CC(=O)NC12CC3CC(C1)CC(C3)C2 Z27687036 [0,0,0,0,0,1|1,0,1]=3 44 B16R3.651134 N=C(N)SC12CC3CC(C1)CC(C3)C2 Z56794507 [0,0,0,0,0,1|1,0,1]=3 45 B16R3.651134 NC(=O)CC12CC3CC(C1)CC(C3)C2 Z33546612 [0,0,0,0,0,1|1,0,1]=3 46 B16R3.651134 NC(=O)NC12CC3CC(C1)CC(C3)C2 Z56983133 [0,0,0,0,0,1|1,0,1]=3 47 B16R3.651134 O=C(O)CC12CC3CC(C1)CC(C3)C2 Z56757305 [0,0,0,0,0,1|2,0,1]=4 48 B13R3.10150 BrC12CC3CC(C1)CC(C3)C2 Z56762205 [2,0,0,0,0,0|1,0,0]=3 49 B13R3.10150 ClC12CC3CC(C1)CC(C3)C2 Z56771135 [2,0,0,0,0,0|1,0,0]=3 50 B13R3.10150 NC12CC3CC(C1)CC(C3)C2 Z1522567174 [2,0,0,0,0,0|0,0,0]=2 51 B13R3.10150 OC12CC3CC(C1)CC(C3)C2 Z56771134 [2,0,0,0,0,0|1,0,0]=3 52 B13R3.10150 SC12CC3CC(C1)CC(C3)C2 Z111411218 [2,0,0,0,0,0|1,0,0]=3 53 B15R3.162082 CCNC12CC3CC(C1)CC(C3)C2 Z361993930 [1,1,0,0,0,0|0,0,0]=2 54 B15R3.162082 CCNC12CC3CC(C1)CC(C3)C2 Z56886530 [1,1,0,0,0,0|0,0,0]=2 55 B15R3.162082 CNCC12CC3CC(C1)CC(C3)C2 Z125304352 [1,1,0,0,0,0|0,0,0]=2 56 B15R3.162082 N#CNC12CC3CC(C1)CC(C3)C2 Z991532148 [1,1,0,0,0,0|0,0,2]=4 57 B15R3.162082 NCCC12CC3CC(C1)CC(C3)C2 Z56910377 [1,1,0,0,0,0|0,0,0]=2 58 B15R3.162082 O=CCC12CC3CC(C1)CC(C3)C2 Z1365511200 [1,1,0,0,0,0|0,0,1]=3 59 B15R3.162082 OCCC12CC3CC(C1)CC(C3)C2 Z56754403 [1,1,0,0,0,0|0,0,0]=2 60 B15R3.162082 S=C=NC12CC3CC(C1)CC(C3)C2 Z56872140 [1,1,0,0,0,0|1,0,1]=4 61 B15R3.273369 N#CC12CC3CC(C1)CC(C3)(C2)Cl Z56852713 [1,1,0,0,0,0|0,0,2]=4 62 B15R3.273369 NC12CC3CC(C1)CC(C3)(O2)CO Z56821446 [1,1,0,0,0,0|2,0,0]=4 63 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)Cl Z57018817 [1,1,0,0,0,0|0,0,0]=2 64 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)O Z3244922010 [1,1,0,0,0,0|0,0,0]=2 65 B15R3.273369 OCC12CC3CC(C1)CC(C3)(C2)O Z1509060165 [1,1,0,0,0,0|1,0,0]=3 66 B15R3.273370 NC1C2CC3CC(C2)CC1(C3)CO Z4599169735 [1,1,0,0,0,0|1,0,0]=3 67 B15R3.273370 NCC12CC3CC(C1)CC(C3)C2N Z5712917002 [1,1,0,0,0,0|0,0,0]=2 68 B15R3.273375 COC12CC3CC(C1)C(C(C3)C2)N Z2009833130 [1,1,0,0,0,0|1,0,0]=3 69 B17R3.1490595 CC(C#N)SC12CC3CC(C1)CC(C3)C2 Z114132194 [0,1,0,0,0,1|0,0,1]=3 70 B17R3.1490595 CN/C(=N/C12CC3CC(C1)CC(C3)C2)/N Z3334323066 [0,1,0,0,0,1|0,0,1]=3 71 B17R3.1490595 CNC(=O)CC12CC3CC(C1)CC(C3)C2 Z32016516 [0,1,0,0,0,1|1,0,1]=4 72 B17R3.1490595 NNC(=O)CC12CC3CC(C1)CC(C3)C2 Z56757134 [0,1,0,0,0,1|1,0,1]=4 73 B17R3.1490595 O=C(CC12CC3CC(C1)CC(C3)C2)NO Z56942055 [0,1,0,0,0,1|1,0,1]=4 74 B17R3.1490595 O=C(CCl)CC12CC3CC(C1)CC(C3)C2 Z1386913424 [0,1,0,0,0,1|1,0,1]=4 75 B17R3.1490595 O=C(CCl)NC12CC3CC(C1)CC(C3)C2 Z56862400 [0,1,0,0,0,1|1,0,1]=4 76 B17R3.1490595 O=C(NO)NC12CC3CC(C1)CC(C3)C2 Z285139298 [0,1,0,0,0,1|1,0,1]=4 77 B17R3.3241202 CC(Br)C(=O)C12CC3CC(C1)CC(C3)C2 Z56963337 [0,1,0,0,0,1|1,0,0]=3 78 B17R3.3241202 CC(C)C(=O)C12CC3CC(C1)CC(C3)C2 Z1020805962 [0,1,0,0,0,1|1,0,0]=3 79 B17R3.3241202 CN(C)C(=O)C12CC3CC(C1)CC(C3)C2 Z56852701 [0,1,0,0,0,1|2,0,0]=4 80 B17R3.3241202 NC(C(F)F)C12CC3CC(C1)CC(C3)C2 Z3484387972 [0,1,0,0,0,1|2,0,0]=4 81 B17R3.3269562 NS(=O)(=O)CC12CC3CC(C1)CC(C3)C2 Z1509691971 [0,1,0,0,0,1|2,0,0]=4 82 B17R3.1399764 C=CCS(=O)C12CC3CC(C1)CC(C3)C2 Z2904168250 [0,2,0,0,0,0|2,0,0]=4 83 B17R3.2652857 CNC(=O)C12CC3CC(C1)CC(C3)(C2)Cl Z30272554 [0,2,0,0,0,0|1,0,1]=4 84 B17R3.2652857 COC(=O)C12CC3CC(C1)CC(C3)(C2)Br Z18851485 [0,2,0,0,0,0|1,0,1]=4 85 B17R3.2652857 COC(=O)C12CC3CC(C1)CC(C3)(C2)Cl Z19243555 [0,2,0,0,0,0|1,0,1]=4 86 B17R3.2652857 COC(=O)C12CC3CC(C1)CC(C3)(C2)N Z2889975171 [0,2,0,0,0,0|1,0,1]=4 87 B17R3.2652857 COC(=O)C12CC3CC(C1)CC(C3)(C2)O Z25060441 [0,2,0,0,0,0|1,0,1]=4 88 B17R3.5878818 CC(N)C12CC3CC(C1)(CC(C3)(C2)C)C Z3234944764 [0,2,0,0,0,0|0,0,0]=2 89 B17R4.5830880 CC1(CO1)C23CC4CC(C2)CC(C4)C3 Z813017540 [0,1,0,1,0,0|1,0,0]=3 90 B17R3.1306585 CC(=O)NCC12CC3CC(C1)CC(C3)C2 Z29444083 [0,0,0,0,0,2|1,0,1]=4 91 B17R3.1306585 N=C(N)NCC12CC3CC(C1)CC(C3)C2 Z1089999202 [0,0,0,0,0,2|1,0,1]=4