0 B17R2.2342 CC(NCC1CCOCC1)C2=CN=CC=C2 Z979763472 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.2342 O=C(NCC1CCCCC1)C2=CN=CC=C2 Z32004319 [0,0,0,0,0,0|3,0,0]=3 2 B17R2.2342 O=C(NCC1CCCCC1)C2=CN=CN=C2 Z1679666254 [0,0,0,0,0,0|4,0,0]=4 3 B17R2.2342 O=C(NCC1CCCCC1)C2=CN=NC=C2 Z1519678953 [0,0,0,0,0,0|4,0,0]=4 4 B17R2.2342 O=C(NCC1CCNCC1)C2=NC=CC=C2 Z1456100008 [0,0,0,0,0,0|3,0,0]=3 5 B17R2.2342 O=C(NCN1CCCCC1)C2=NC=CN=C2 Z56842355 [0,0,0,0,0,0|1,0,0]=1 6 B17R2.2342 O=C(OCC1CCCCO1)C2=NC=CN=C2 Z54070968 [0,0,0,0,0,0|4,0,0]=4 7 B16R2.2256 C1=CN=C(C=C1)CNCC2CCOCC2 Z4999192899 [1,0,0,0,0,0|2,0,1]=4 8 B16R2.2256 C1=CN=C(C=C1)NCCN2CCOCC2 Z31239307 [1,0,0,0,0,0|3,0,0]=4 9 B18R2.253 CC1=CC=C(C=C1)C(=O)CCN2CCOCC2 Z993739406 [0,1,0,0,0,0|3,0,0]=4 10 B18R2.253 CC1=NC=C(N=C1)C(=O)NCC2CCCCC2 Z32004616 [0,1,0,0,0,0|2,0,0]=3 11 B18R2.253 O=C(NCC1CCCCC1)C2=CN=C(C=C2)Cl Z32004510 [0,1,0,0,0,0|3,0,0]=4 12 B18R2.253 O=C(NCC1CCCCC1)C2=CN=C(C=C2)O Z32004818 [0,1,0,0,0,0|3,0,0]=4 13 B18R2.257 CC1CCN(CC1)CNC(=O)C2=CN=CC=C2 Z56842340 [0,1,0,0,0,0|2,0,0]=3 14 B18R2.4001 NC1=C(N=CC=N1)C(=O)NCC2CCCOC2 Z758404502 [0,1,0,0,0,0|3,0,0]=4 15 B18R2.4001 O=C(NCC1CCCCC1)C2=C(N=CC=C2)Cl Z32004358 [0,1,0,0,0,0|3,0,0]=4 16 B18R2.4001 O=C(NCC1CCOCO1)C2=C(N=CC=C2)S Z2737022712 [0,1,0,0,0,0|3,0,0]=4 17 B18R2.6463 O=C(NCC1CCNCC1)C2=CC=CC(=N2)Cl Z1456093863 [0,1,0,0,0,0|3,0,0]=4 18 B18R2.7204 CN(CC1CCCCC1)C(=O)C2=CN=CC=C2 Z295726854 [0,1,0,0,0,0|3,0,0]=4 19 B18R2.7204 CN(CC1CCCCC1)C(=O)C2=NC=CC=C2 Z295726688 [0,1,0,0,0,0|3,0,0]=4 20 B18R2.7204 CN(CC1CCCCC1)C(=O)C2=NC=CN=C2 Z295727150 [0,1,0,0,0,0|2,0,0]=3 21 B16R2.88 O=C(CC1CCOCC1)C2=CC=CC=C2 Z992964780 [0,0,0,0,1,0|3,0,0]=4 22 B16R2.88 O=C(CN1CCNCC1)C2=CC=CC=C2 Z166665670 [0,0,0,0,1,0|3,0,0]=4 23 B16R2.88 O=C(NC1CCCCC1)C2=CN=CC=C2 Z31484247 [0,0,0,0,1,0|3,0,0]=4 24 B16R2.88 O=C(NC1CCCCC1)C2=NC=CC=C2 Z31484164 [0,0,0,0,1,0|3,0,0]=4 25 B16R2.88 O=C(NC1CCCCC1)C2=NC=CN=C2 Z31484428 [0,0,0,0,1,0|2,0,0]=3 26 B16R2.88 O=C(NC1CCNCC1)C2=CN=CC=C2 Z818727112 [0,0,0,0,1,0|3,0,0]=4 27 B16R2.88 O=C(NC1CCNCC1)C2=NC=CC=C2 Z415636696 [0,0,0,0,1,0|3,0,0]=4 28 B16R2.2238 O=C(NCC1CCCCC1)C2=CC=CO2 Z32004327 [0,0,0,0,1,0|3,0,0]=4 29 B16R2.2238 O=C(NCC1CCCCC1)C2=COC=C2 Z166964950 [0,0,0,0,1,0|3,0,0]=4 30 B16R2.2238 O=C(NCC1CCCCC1)C2=NSN=C2 Z594982208 [0,0,0,0,1,0|3,0,0]=4 31 B16R2.2238 O=C(NCC1CCOCC1)C2=CN=NS2 Z976210102 [0,0,0,0,1,0|3,0,0]=4 32 B16R2.5767 O=C(NCC1CCCC1)C2=CN=CC=C2 Z364601874 [0,0,0,0,1,0|2,0,0]=3 33 B16R2.5767 O=C(NCC1CCCO1)C2=NC=CC=C2 Z31490188 [0,0,0,0,1,0|3,0,0]=4 34 B16R2.5767 O=C(NCC1CCOC1)C2=NC=CN=C2 Z384362790 [0,0,0,0,1,0|1,0,0]=2 35 B16R2.5767 O=C(NCN1CCCC1)C2=NC=CN=C2 Z56915476 [0,0,0,0,1,0|0,0,0]=1 36 B18R2.2429 O=C(CCN1CCOCC1)NC2=CC=CC=C2 Z220001722 [0,0,0,0,0,1|3,0,0]=4 37 B18R2.2429 O=C(NCC1CCOCC1)NC2=NC=NC=C2 Z1889538983 [0,0,0,0,0,1|3,0,0]=4 38 B18R2.7189 O=C(NCCC1=CCCCC1)C2=NC=CN=C2 Z69091635 [0,0,0,0,0,1|2,0,1]=4 39 B18R2.7189 O=C(NCCN1CCCCC1)C2=CN=CC=C2 Z422649690 [0,0,0,0,0,1|2,0,0]=3 40 B18R2.7189 O=C(NCCN1CCCCC1)C2=CN=NC=C2 Z1455050942 [0,0,0,0,0,1|3,0,0]=4 41 B18R2.7189 O=C(NCCN1CCCCC1)C2=NC=CN=C2 Z422647532 [0,0,0,0,0,1|1,0,0]=2 42 B18R2.7189 O=C(NCCN1CCOCC1)C2=CC=CC=C2 Z32409978 [0,0,0,0,0,1|2,0,0]=3 43 B18R2.7189 O=C(NCCN1CCOCC1)C2=CC=NC=C2 Z32409926 [0,0,0,0,0,1|3,0,0]=4 44 B18R2.7189 O=C(NCCN1CCOCC1)C2=CN=CC=C2 Z32409935 [0,0,0,0,0,1|1,0,0]=2 45 B17R1.31166 CCC(CCO)CNC(=O)C1=C(N=CC=C1)S Z1398216299 [0,1,1,0,0,0|2,0,0]=4 46 B17R2.143 CC(CN1CCOCC1)NC2=NC=CN=C2 Z645139308 [1,1,0,0,0,0|2,0,0]=4 47 B17R2.192 CC1=NC=C(N=C1)C(=O)NC2CCCCC2 Z31484544 [0,1,0,0,1,0|2,0,0]=4 48 B17R2.192 O=C(NC1CCOCC1)C2=CN=C(C=C2)Cl Z440609344 [0,1,0,0,1,0|2,0,0]=4 49 B17R2.192 O=C(NC1CCOCC1)C2=CN=C(C=C2)O Z738558486 [0,1,0,0,1,0|2,0,0]=4 50 B17R2.192 O=C(NC1CCOCC1)C2=NC=C(C=C2)Br Z1065605882 [0,1,0,0,1,0|2,0,0]=4 51 B17R2.192 O=C(NN1CCOCC1)C2=CC=C(C=C2)Br Z26802560 [0,1,0,0,1,0|2,0,0]=4 52 B17R2.209 CC1CCC(CC1)NC(=O)C2=NC=CN=C2 Z33598852 [0,1,0,0,1,0|2,0,0]=4 53 B17R2.3417 CC1=C(C=CC=C1)C(=O)CN2CCOCC2 Z447858320 [0,1,0,0,1,0|2,0,0]=4 54 B17R2.3426 CC1CCCCC1NC(=O)C2=NC=CN=C2 Z32972356 [0,1,0,0,1,0|2,0,0]=4 55 B17R2.3426 O=C(N[C@@H]1CCCC[C@H]1F)C2=NC=CN=C2 Z2335180405 [0,1,0,0,1,0|2,0,0]=4 56 B17R2.5273 O=C(NN1CCCCC1)C2=NC=CC(=C2)Cl Z82207505 [0,1,0,0,1,0|2,0,0]=4 57 B17R2.10205 CN(C(=O)C1=NC=CN=C1)C2CCCCC2 Z54082497 [0,1,0,0,1,0|2,0,0]=4 58 B17R2.295454 CC1(CCOCC1)NC(=O)C2=NC=CN=C2 Z1500975660 [0,1,0,0,1,0|1,0,0]=3 59 B17R2.295595 O=C(NCC1(CCOCC1)O)C2=CC=CN2 Z1286185042 [0,1,0,0,1,0|1,0,1]=4 60 B17R2.3283 CC1=NC=C(N=C1)C(=O)NCC2CCCO2 Z31490568 [0,1,0,0,1,0|2,0,0]=4 61 B17R2.3283 CC1=NC=C(N=C1)C(=O)NCC2CCOC2 Z384362700 [0,1,0,0,1,0|1,0,0]=3 62 B17R2.3283 O=C(NCC1CCCC1)C2=CN=C(C=C2)O Z364601378 [0,1,0,0,1,0|2,0,0]=4 63 B17R2.3378 CC1=NC(=CC=C1)C(=O)NCC2CCOC2 Z394177864 [0,1,0,0,1,0|2,0,0]=4 64 B17R2.3378 O=C(NCC1CCOC1)C2=CN=CC(=C2)F Z1413938815 [0,1,0,0,1,0|2,0,0]=4 65 B17R2.3950 NC1=C(N=CC=N1)C(=O)NCC2CCCO2 Z251293540 [0,1,0,0,1,0|2,0,0]=4 66 B17R2.5724 CN(CC1CCCO1)C(=O)C2=NC=CN=C2 Z781521114 [0,1,0,0,1,0|2,0,0]=4 67 B17R2.295596 O=C(NCC1(CCCC1)O)C2=NC=CN=C2 Z1203330269 [0,1,0,0,1,0|1,0,0]=3 68 B19R2.7672 CC1CC(CCO1)CNC(=O)NC2=CN=CC=C2 Z1575692521 [0,1,0,0,0,1|2,0,0]=4 69 B19R2.4201 CC1=NC=C(N=C1)C(=O)NCCN2CCCCC2 Z422647742 [0,1,0,0,0,1|1,0,0]=3 70 B19R2.4201 NC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 Z240087956 [0,1,0,0,0,1|2,0,0]=4 71 B19R2.4201 O=C(NCCN1CCOCC1)C2=CC=C(C=C2)Cl Z32409934 [0,1,0,0,0,1|2,0,0]=4 72 B19R2.4201 O=C(NCCN1CCOCC1)C2=CN=C(C=C2)Cl Z32410126 [0,1,0,0,0,1|1,0,0]=3 73 B19R2.4369 CC1CCCN(C1)CCNC(=O)C2=CN=CC=C2 Z422682726 [0,1,0,0,0,1|2,0,0]=4 74 B19R2.4369 CC1CCCN(C1)CCNC(=O)C2=NC=CN=C2 Z422680568 [0,1,0,0,0,1|1,0,0]=3 75 B19R2.4394 O=C(NCCN1CCOCC1)C2=CN=CC(=C2)Br Z30915973 [0,1,0,0,0,1|1,0,0]=3 76 B19R2.4481 CC1CCCCN1CCNC(=O)C2=CN=CC=C2 Z422678610 [0,1,0,0,0,1|2,0,0]=4 77 B19R2.4481 CC1CCCCN1CCNC(=O)C2=NC=CC=C2 Z422676358 [0,1,0,0,0,1|2,0,0]=4 78 B19R2.4481 CC1CCCCN1CCNC(=O)C2=NC=CN=C2 Z422676452 [0,1,0,0,0,1|1,0,0]=3 79 B19R2.4481 CC1COCCN1CCNC(=O)C2=NC=CN=C2 Z1129185548 [0,1,0,0,0,1|0,0,0]=2 80 B19R2.5666 CC1=C(C=NC=C1)C(=O)NCCN2CCOCC2 Z1265674826 [0,1,0,0,0,1|1,0,0]=3 81 B19R2.5666 NC1=C(N=CC=N1)C(=O)NCCN2CC=CCC2 Z1953914061 [0,1,0,0,0,1|1,0,1]=4 82 B19R2.5666 O=C(NCCN1CCOCC1)C2=C(C=CC=C2)O Z68289799 [0,1,0,0,0,1|2,0,0]=4 83 B19R2.5666 O=C(NCCN1CCOCC1)C2=C(N=CC=C2)Cl Z32409974 [0,1,0,0,0,1|1,0,0]=3 84 B19R2.5666 O=C(NCCN1CCOCC1)C2=C(N=CC=C2)O Z608742894 [0,1,0,0,0,1|1,0,0]=3 85 B19R2.8898 CC(CNC(=O)C1=NC=CC=C1)N2CCOCC2 Z364675866 [0,1,0,0,0,1|1,0,0]=3 86 B19R2.8898 CC(CNC(=O)C1=NC=CN=C1)N2CCOCC2 Z364675666 [0,1,0,0,0,1|0,0,0]=2 87 B19R2.8898 O=C(NCC(=O)N1CCCCC1)C2=NC=CC=C2 Z415555916 [0,1,0,0,0,1|2,0,0]=4 88 B19R2.11850 CC1CCN(CC1)CCNC(=O)C2=CN=CC=C2 Z422903154 [0,1,0,0,0,1|2,0,0]=4 89 B19R2.11850 CC1CCN(CC1)CCNC(=O)C2=NC=CN=C2 Z422900996 [0,1,0,0,0,1|1,0,0]=3 90 B19R2.283 CC1=CN=C(C=N1)C(=O)N(C)CC2CCCCC2 Z295727346 [0,2,0,0,0,0|2,0,0]=4 91 B19R2.150601 CC1=NC=C(N=C1)C(=O)NCC2(CCCCC2)O Z1250712158 [0,2,0,0,0,0|2,0,0]=4 92 B19R2.150601 O=C(NCC1(CCOCC1)O)C2=NC=C(C=C2)Cl Z1286192597 [0,2,0,0,0,0|2,0,0]=4 93 B19R2.79 CCN1CCC(CC1)CNC(=O)C2=NC=CN=C2 Z815036108 [0,2,0,0,0,0|2,0,0]=4 94 B19R2.79 CCN1CCN(CC1)CNC(=O)C2=NC=CN=C2 Z56842320 [0,2,0,0,0,0|1,0,0]=3 95 B19R2.5647 CC(NC(=O)C1=C(N=CC=C1)S)C2CCOCC2 Z2737021623 [0,2,0,0,0,0|2,0,0]=4 96 B19R2.50154 NC1=C(N=CC=N1)C(=O)NC[C@@H]2CCCC[C@H]2O Z2298186941 [0,2,0,0,0,0|2,0,0]=4 97 B17R2.2264 O=C(C1=NC=CN=C1)N2CCCCCCC2 Z54081871 [0,0,1,1,0,0|2,0,0]=4 98 B17R2.45538 O=C(NC1CCCCCC1)C2=NC=CN=C2 Z32452284 [0,0,1,1,0,0|2,0,0]=4 99 B17R2.45544 O=C(NCCC1CCCC1)C2=NC=CN=C2 Z318202578 [0,0,1,1,0,0|2,0,0]=4 100 B19R3.2487 O=C(C1=NC=CN=C1)N2CCC3C2CCCC3 Z977428116 [0,0,0,1,0,1|2,0,0]=4 101 B19R3.1799922 O=C(C1=NC=CN=C1)N2CC3CCCCC3C2 Z1348909774 [0,1,0,1,0,0|2,0,0]=4 102 B15R2.2195 C1=CN=C(C=N1)NCC2CCCCC2 Z31222333 [1,0,0,0,1,0|2,0,0]=4 103 B15R2.64 O=C(CN1CCNCC1)C2=CC=CO2 Z1696861500 [0,0,0,0,2,0|2,0,0]=4 104 B15R2.64 O=C(CN1CCNCC1)C2=CC=CS2 Z1245537808 [0,0,0,0,2,0|2,0,0]=4 105 B15R2.64 O=C(CN1CCOCC1)C2=NC=CS2 Z2237303718 [0,0,0,0,2,0|1,0,0]=3 106 B15R2.64 O=C(NN1CCOCC1)C2=CC=CO2 Z54081372 [0,0,0,0,2,0|1,0,0]=3 107 B15R2.1259 O=C(CC1CCCC1)C2=CN=CC=C2 Z4951515792 [0,0,0,0,2,0|2,0,0]=4 108 B15R2.1259 O=C(NC1CCCC1)C2=NC=CC=C2 Z32413868 [0,0,0,0,2,0|2,0,0]=4 109 B15R2.2226 O=C(C1=CC=CC=C1)N2CCOCC2 Z31721234 [0,0,0,0,2,0|2,0,0]=4 110 B15R2.2226 O=C(C1=CN=CC=C1)N2CCCCC2 Z31424007 [0,0,0,0,2,0|2,0,0]=4 111 B15R2.2226 O=C(C1=CN=CC=C1)N2CCNCC2 Z228586820 [0,0,0,0,2,0|2,0,0]=4 112 B15R2.2226 O=C(C1=CN=CC=C1)N2CCOCC2 Z31721191 [0,0,0,0,2,0|1,0,0]=3 113 B15R2.2226 O=C(C1=CN=CC=C1)N2CCSCC2 Z437590058 [0,0,0,0,2,0|1,1,0]=4 114 B15R2.2226 O=C(C1=NC=CC=C1)N2CCNCC2 Z335451318 [0,0,0,0,2,0|2,0,0]=4 115 B15R2.2226 O=C(C1=NC=CC=C1)N2CCOCC2 Z31721108 [0,0,0,0,2,0|1,0,0]=3 116 B15R2.2226 O=C(C1=NC=CC=C1)N2CCSCC2 Z437584254 [0,0,0,0,2,0|1,1,0]=4 117 B15R2.2226 O=C(C1=NC=CN=C1)N2CCNCC2 Z992717310 [0,0,0,0,2,0|1,0,0]=3 118 B15R2.2226 O=C(C1=NC=CN=C1)N2CCSCC2 Z437580758 [0,0,0,0,2,0|0,1,0]=3 119 B17R2.5714 O=C(NCCN1CCCCC1)C2=COC=C2 Z422648632 [0,0,0,0,1,1|2,0,0]=4 120 B17R2.5714 O=C(NCCN1CCCCC1)C2=CSC=C2 Z422648048 [0,0,0,0,1,1|2,0,0]=4 121 B17R2.5714 O=C(NCCN1CCCCC1)C2=NNC=C2 Z451363272 [0,0,0,0,1,1|2,0,0]=4 122 B17R2.5714 O=C(NCCN1CCNCC1)C2=CC=CO2 Z57346104 [0,0,0,0,1,1|2,0,0]=4 123 B17R2.5714 O=C(NCCN1CCNCC1)C2=CC=CS2 Z234898137 [0,0,0,0,1,1|2,0,0]=4 124 B17R2.5714 O=C(NCCN1CCOCC1)C2=CC=CO2 Z32409943 [0,0,0,0,1,1|1,0,0]=3 125 B17R2.8341 O=C(NCC1CCOC1)NC2=CN=CC=C2 Z402466840 [0,0,0,0,1,1|2,0,0]=4 126 B17R2.8341 O=C(NCC1CCOC1)NC2=NC=CC=C2 Z558224622 [0,0,0,0,1,1|2,0,0]=4 127 B19R2.8900 O=C(NCCN1CCOCC1)NC2=CN=CC=C2 Z195699560 [0,0,0,0,0,2|1,0,0]=3 128 B19R2.8900 O=C(NCCN1CCOCC1)NC2=NC=CC=C2 Z446461730 [0,0,0,0,0,2|1,0,0]=3 129 B19R2.8900 O=C(NCCN1CCOCC1)OC2=CC=CC=C2 Z32410552 [0,0,0,0,0,2|2,0,0]=4 130 B19R2.113743 O=C(NCCN1CCCCCC1)C2=CN=CC=C2 Z364850494 [0,0,0,0,0,2|2,0,0]=4 131 B19R2.113743 O=C(NCCN1CCCCCC1)C2=NC=CC=C2 Z364850522 [0,0,0,0,0,2|2,0,0]=4 132 B19R2.113743 O=C(NCCN1CCCCCC1)C2=NC=CN=C2 Z364850322 [0,0,0,0,0,2|1,0,0]=3