0 B16R3.1796 C1=C(CCCC1)c2ccc3c(c2)CC3 271570a_100000062251_100009818592 [0,0,0,0,0,0|1,0,0]=1 1 B16R3.1796 C1=C(CCCO1)c2ccc3c(c2)CC3 271570a_100010175576_100009818592 [0,0,0,0,0,0|2,0,0]=2 2 B16R3.1796 C1=C(CCNC1)c2ccc3c(c2)CC3 271570a_100000731432_100009818592 [0,0,0,0,0,0|2,0,0]=2 3 B16R3.1796 C1=C(CCOC1)c2ccc3c(c2)CC3 271570a_100000070234_100009818592 [0,0,0,0,0,0|2,0,0]=2 4 B16R3.1796 C1=C(CCSC1)c2ccc3c(c2)CC3 271570a_100010232141_100009818592 [0,0,0,0,0,0|2,0,0]=2 5 B16R3.1796 C1=C(OCCC1)c2ccc3c(c2)CC3 271570a_100010177797_100009818592 [0,0,0,0,0,0|2,0,0]=2 6 B16R3.1796 c1cc(ccn1)c2ccc3c(c2)CC3 271570a_100000752145_100009818592 [0,0,0,0,0,0|2,0,2]=4 7 B16R3.1796 c1cc(ccn1)c2ccc3c(c2)CC3 271570a_100160486115_100000035832 [0,0,0,0,0,0|2,0,2]=4 8 B16R3.1796 c1cc(cnn1)c2ccc3c(c2)CC3 271570a_100160486115_100000732662 [0,0,0,0,0,0|1,0,3]=4 9 B16R3.1796 c1cc(ncn1)c2ccc3c(c2)CC3 271570a_100160486115_100000703185 [0,0,0,0,0,0|3,0,1]=4 10 B16R3.1796 c1cc2c(cc1c3cnnnc3)CC2 271570a_100160486115_100009846058 [0,0,0,0,0,0|2,0,2]=4 11 B16R3.1796 c1ccc(cc1)c2ccc3c(c2)CC3 271570a_100011218836_100009818592 [0,0,0,0,0,0|1,0,3]=4 12 B16R3.1796 c1ccc(cc1)c2ccc3c(c2)CC3 271570a_100160486115_100000210277 [0,0,0,0,0,0|1,0,3]=4 13 B16R3.1796 c1ccc(nc1)c2ccc3c(c2)CC3 271570a_100011264011_100009818592 [0,0,0,0,0,0|2,0,2]=4 14 B16R3.1796 c1ccc(nc1)c2ccc3c(c2)CC3 271570a_100160486115_100011216584 [0,0,0,0,0,0|2,0,2]=4 15 B16R3.1796 c1cnc(cn1)c2ccc3c(c2)CC3 271570a_100011962566_100009818592 [0,0,0,0,0,0|3,0,1]=4 16 B16R3.1796 c1cnc(cn1)c2ccc3c(c2)CC3 271570a_100160486115_100000758340 [0,0,0,0,0,0|3,0,1]=4 17 B16R3.1796 c1cncc(c1)c2ccc3c(c2)CC3 271570a_100000757648_100009818592 [0,0,0,0,0,0|0,0,4]=4 18 B16R3.1796 c1cncc(c1)c2ccc3c(c2)CC3 271570a_100160486115_100000752921 [0,0,0,0,0,0|0,0,4]=4 19 B16R3.1796 c1cnnc(c1)c2ccc3c(c2)CC3 271570a_100160486115_100016991348 [0,0,0,0,0,0|1,0,3]=4 20 B16R3.1796 c1ncc(cn1)c2ccc3c(c2)CC3 271570a_100000707473_100009818592 [0,0,0,0,0,0|1,0,3]=4 21 B16R3.1796 c1ncc(cn1)c2ccc3c(c2)CC3 271570a_100160486115_100011206942 [0,0,0,0,0,0|1,0,3]=4 22 B17R3.2414 CC1CC=C(CC1)c2ccc3c(c2)CC3 271570a_100010240233_100009818592 [0,1,0,0,0,0|1,0,0]=2 23 B17R3.2414 O=c1ccc(c[nH]1)c2ccc3c(c2)CC3 271570a_100160486115_100000212171 [0,1,0,0,0,0|0,0,3]=4 24 B17R3.2414 O=c1ccc(n[nH]1)c2ccc3c(c2)CC3 271570a_100160486115_100009820020 [0,1,0,0,0,0|1,0,2]=4 25 B17R3.2414 O=c1ncc(c[nH]1)c2ccc3c(c2)CC3 271570a_100000079150_100009818592 [0,1,0,0,0,0|1,0,2]=4 26 B17R3.2414 O=c1ncc(c[nH]1)c2ccc3c(c2)CC3 271570a_100160486115_102495366499 [0,1,0,0,0,0|1,0,2]=4 27 B17R3.2414 OC1CC=C(CC1)c2ccc3c(c2)CC3 271570a_100010254553_100009818592 [0,1,0,0,0,0|1,0,0]=2 28 B17R3.2444 O=C1C=C(CCC1)c2ccc3c(c2)CC3 271570a_100000723966_100009818592 [0,1,0,0,0,0|1,0,1]=3 29 B17R3.3070 O=c1[nH]cccc1c2ccc3c(c2)CC3 271570a_100000099769_100009818592 [0,1,0,0,0,0|0,0,3]=4 30 B17R3.3070 O=c1[nH]cccc1c2ccc3c(c2)CC3 271570a_100160486115_100000050042 [0,1,0,0,0,0|0,0,3]=4 31 B17R3.3070 O=c1[nH]nccc1c2ccc3c(c2)CC3 271570a_100160486115_100000087129 [0,1,0,0,0,0|1,0,2]=4 32 B17R3.3070 O=c1cc[nH]cc1c2ccc3c(c2)CC3 271570a_100160486115_100009998708 [0,1,0,0,0,0|0,0,3]=4 33 B17R3.3070 S=c1cc[nH]cc1c2ccc3c(c2)CC3 271570a_100160486115_200012280681 [0,1,0,0,0,0|0,0,3]=4 34 B15R2.1 C=Cc1ccc(cc1)C2=CCCCC2 271570a_100011290941_100009811967 [0,0,1,0,0,0|1,0,2]=4 35 B15R2.1 CCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100011215824 [0,0,1,0,0,0|1,0,0]=2 36 B15R2.1 CCc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100011215824 [0,0,1,0,0,0|2,0,0]=3 37 B15R2.1 CCc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100011215824 [0,0,1,0,0,0|2,0,0]=3 38 B15R2.1 CCc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100011215824 [0,0,1,0,0,0|2,0,0]=3 39 B15R2.1 CCc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100011215824 [0,0,1,0,0,0|2,0,0]=3 40 B15R2.1 CCc1ccc(cc1)C2=COCCC2 271570a_100010175576_100011215824 [0,0,1,0,0,0|2,0,0]=3 41 B15R2.1 CCc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100009820025 [0,0,1,0,0,0|2,0,0]=3 42 B15R2.1 CCc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100009820025 [0,0,1,0,0,0|3,0,0]=4 43 B15R2.1 CCc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100009820025 [0,0,1,0,0,0|3,0,0]=4 44 B15R2.1 CCc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100009820025 [0,0,1,0,0,0|3,0,0]=4 45 B15R2.1 CCc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100009820025 [0,0,1,0,0,0|3,0,0]=4 46 B15R2.1 CCc1ccc(cn1)C2=COCCC2 271570a_100010175576_100009820025 [0,0,1,0,0,0|3,0,0]=4 47 B15R2.1 CCc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100009843584 [0,0,1,0,0,0|2,0,0]=3 48 B15R2.1 CCc1ccc(nc1)C2=CCCCO2 271570a_100010177797_100009843584 [0,0,1,0,0,0|3,0,0]=4 49 B15R2.1 CCc1ccc(nc1)C2=CCNCC2 271570a_100000731432_100009843584 [0,0,1,0,0,0|3,0,0]=4 50 B15R2.1 CCc1ccc(nc1)C2=CCOCC2 271570a_100000070234_100009843584 [0,0,1,0,0,0|3,0,0]=4 51 B15R2.1 CCc1ccc(nc1)C2=CCSCC2 271570a_100010232141_100009843584 [0,0,1,0,0,0|3,0,0]=4 52 B15R2.1 CCc1ccc(nc1)C2=COCCC2 271570a_100010175576_100009843584 [0,0,1,0,0,0|3,0,0]=4 53 B15R2.1 CCc1cnc(nc1)C2=CCCCC2 271570a_100000062251_100000033099 [0,0,1,0,0,0|3,0,0]=4 54 B15R2.1 CNc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000219623 [0,0,1,0,0,0|2,0,0]=3 55 B15R2.1 CNc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000219623 [0,0,1,0,0,0|3,0,0]=4 56 B15R2.1 CNc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000219623 [0,0,1,0,0,0|3,0,0]=4 57 B15R2.1 CNc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000219623 [0,0,1,0,0,0|3,0,0]=4 58 B15R2.1 CNc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000219623 [0,0,1,0,0,0|3,0,0]=4 59 B15R2.1 CNc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000219623 [0,0,1,0,0,0|3,0,0]=4 60 B15R2.1 CNc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000741341 [0,0,1,0,0,0|3,0,0]=4 61 B15R2.1 CNc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100000764248 [0,0,1,0,0,0|3,0,0]=4 62 B15R2.1 COc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000171711 [0,0,1,0,0,0|2,0,0]=3 63 B15R2.1 COc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000171711 [0,0,1,0,0,0|3,0,0]=4 64 B15R2.1 COc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000171711 [0,0,1,0,0,0|3,0,0]=4 65 B15R2.1 COc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000171711 [0,0,1,0,0,0|3,0,0]=4 66 B15R2.1 COc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000171711 [0,0,1,0,0,0|3,0,0]=4 67 B15R2.1 COc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000171711 [0,0,1,0,0,0|3,0,0]=4 68 B15R2.1 COc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000047065 [0,0,1,0,0,0|3,0,0]=4 69 B15R2.1 COc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100000755202 [0,0,1,0,0,0|3,0,0]=4 70 B15R2.1 CSc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100011263217 [0,0,1,0,0,0|2,0,0]=3 71 B15R2.1 CSc1ccc(cc1)C2=CCCCC2 62a_100009811967_200000210301 [0,0,1,0,0,0|2,0,0]=3 72 B15R2.1 CSc1ccc(cc1)C2=CCCCC2 62a_200000210301_100009811967 [0,0,1,0,0,0|2,0,0]=3 73 B15R2.1 CSc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100011263217 [0,0,1,0,0,0|3,0,0]=4 74 B15R2.1 CSc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100011263217 [0,0,1,0,0,0|3,0,0]=4 75 B15R2.1 CSc1ccc(cc1)C2=CCNCC2 62a_100015357501_200000210301 [0,0,1,0,0,0|3,0,0]=4 76 B15R2.1 CSc1ccc(cc1)C2=CCNCC2 62a_200000210301_100015357501 [0,0,1,0,0,0|3,0,0]=4 77 B15R2.1 CSc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100011263217 [0,0,1,0,0,0|3,0,0]=4 78 B15R2.1 CSc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100011263217 [0,0,1,0,0,0|3,0,0]=4 79 B15R2.1 CSc1ccc(cc1)C2=COCCC2 271570a_100010175576_100011263217 [0,0,1,0,0,0|3,0,0]=4 80 B15R2.1 CSc1ccc(cc1)C2CNCCN2 62a_200000210301_100010163160 [0,0,1,0,0,0|2,0,1]=4 81 B15R2.1 CSc1ccc(cc1)C2CNCCO2 62a_200000210301_100000745233 [0,0,1,0,0,0|2,0,1]=4 82 B15R2.1 CSc1ccc(cc1)[C@@H]2CCCNC2 62a_200000210301_106439422950 [0,0,1,0,0,0|1,0,2]=4 83 B15R2.1 CSc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100011408404 [0,0,1,0,0,0|3,0,0]=4 84 B15R2.1 CSc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100009820866 [0,0,1,0,0,0|3,0,0]=4 85 B15R2.1 FCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100010268989 [0,0,1,0,0,0|2,0,0]=3 86 B15R2.1 FCc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100010268989 [0,0,1,0,0,0|3,0,0]=4 87 B15R2.1 FCc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100010268989 [0,0,1,0,0,0|3,0,0]=4 88 B15R2.1 FCc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100010268989 [0,0,1,0,0,0|3,0,0]=4 89 B15R2.1 FCc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100010268989 [0,0,1,0,0,0|3,0,0]=4 90 B15R2.1 FCc1ccc(cc1)C2=COCCC2 271570a_100010175576_100010268989 [0,0,1,0,0,0|3,0,0]=4 91 B15R2.1 N#Cc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000179745 [0,0,1,0,0,0|2,0,1]=4 92 B15R2.1 NCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100016989417 [0,0,1,0,0,0|2,0,0]=3 93 B15R2.1 NCc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100016989417 [0,0,1,0,0,0|3,0,0]=4 94 B15R2.1 NCc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100016989417 [0,0,1,0,0,0|3,0,0]=4 95 B15R2.1 NCc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100016989417 [0,0,1,0,0,0|3,0,0]=4 96 B15R2.1 NCc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100016989417 [0,0,1,0,0,0|3,0,0]=4 97 B15R2.1 NCc1ccc(cc1)C2=COCCC2 271570a_100010175576_100016989417 [0,0,1,0,0,0|3,0,0]=4 98 B15R2.1 NCc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100015188789 [0,0,1,0,0,0|3,0,0]=4 99 B15R2.1 NCc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100009817727 [0,0,1,0,0,0|3,0,0]=4 100 B15R2.1 NNc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100016988836 [0,0,1,0,0,0|3,0,0]=4 101 B15R2.1 O=Cc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000186029 [0,0,1,0,0,0|2,0,1]=4 102 B15R2.1 OCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000690907 [0,0,1,0,0,0|2,0,0]=3 103 B15R2.1 OCc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000690907 [0,0,1,0,0,0|3,0,0]=4 104 B15R2.1 OCc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000690907 [0,0,1,0,0,0|3,0,0]=4 105 B15R2.1 OCc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000690907 [0,0,1,0,0,0|3,0,0]=4 106 B15R2.1 OCc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000690907 [0,0,1,0,0,0|3,0,0]=4 107 B15R2.1 OCc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000690907 [0,0,1,0,0,0|3,0,0]=4 108 B15R2.1 OCc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000754261 [0,0,1,0,0,0|3,0,0]=4 109 B15R2.1 OCc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100009816760 [0,0,1,0,0,0|3,0,0]=4 110 B15R2.1 [13CH3]Sc1ccc(cc1)C2=CCCCC2 62a_100009811967_200025704644 [0,0,1,0,0,0|2,0,0]=3 111 B15R2.1 [13CH3]Sc1ccc(cc1)C2=CCCCC2 62a_200025704644_100009811967 [0,0,1,0,0,0|2,0,0]=3 112 B15R2.1 [13CH3]Sc1ccc(cc1)C2=CCNCC2 62a_100015357501_200025704644 [0,0,1,0,0,0|3,0,0]=4 113 B15R2.1 [13CH3]Sc1ccc(cc1)C2=CCNCC2 62a_200025704644_100015357501 [0,0,1,0,0,0|3,0,0]=4 114 B15R2.1 [13CH3]Sc1ccc(cc1)C2CNCCN2 62a_200025704644_100010163160 [0,0,1,0,0,0|2,0,1]=4 115 B15R2.1 [13CH3]Sc1ccc(cc1)C2CNCCO2 62a_200025704644_100000745233 [0,0,1,0,0,0|2,0,1]=4 116 B15R2.1 [13CH3]Sc1ccc(cc1)[C@@H]2CCCNC2 62a_200025704644_106439422950 [0,0,1,0,0,0|1,0,2]=4 117 B15R2.17 CCc1cc(ccn1)C2=CCCCC2 271570a_100000062251_100009820011 [0,0,1,0,0,0|2,0,0]=3 118 B15R2.17 CCc1cc(ccn1)C2=CCCCO2 271570a_100010177797_100009820011 [0,0,1,0,0,0|3,0,0]=4 119 B15R2.17 CCc1cc(ccn1)C2=CCNCC2 271570a_100000731432_100009820011 [0,0,1,0,0,0|3,0,0]=4 120 B15R2.17 CCc1cc(ccn1)C2=CCOCC2 271570a_100000070234_100009820011 [0,0,1,0,0,0|3,0,0]=4 121 B15R2.17 CCc1cc(ccn1)C2=CCSCC2 271570a_100010232141_100009820011 [0,0,1,0,0,0|3,0,0]=4 122 B15R2.17 CCc1cc(ccn1)C2=COCCC2 271570a_100010175576_100009820011 [0,0,1,0,0,0|3,0,0]=4 123 B15R2.17 CCc1cc(ncn1)C2=CCCCC2 271570a_100000062251_100000744278 [0,0,1,0,0,0|3,0,0]=4 124 B15R2.17 CCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000684523 [0,0,1,0,0,0|1,0,0]=2 125 B15R2.17 CCc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000684523 [0,0,1,0,0,0|2,0,0]=3 126 B15R2.17 CCc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000684523 [0,0,1,0,0,0|2,0,0]=3 127 B15R2.17 CCc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000684523 [0,0,1,0,0,0|2,0,0]=3 128 B15R2.17 CCc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000684523 [0,0,1,0,0,0|2,0,0]=3 129 B15R2.17 CCc1cccc(c1)C2=COCCC2 271570a_100010175576_100000684523 [0,0,1,0,0,0|2,0,0]=3 130 B15R2.17 CCc1cccc(n1)C2=CCCCC2 271570a_100000062251_100009856026 [0,0,1,0,0,0|2,0,0]=3 131 B15R2.17 CCc1cccc(n1)C2=CCCCO2 271570a_100010177797_100009856026 [0,0,1,0,0,0|3,0,0]=4 132 B15R2.17 CCc1cccc(n1)C2=CCNCC2 271570a_100000731432_100009856026 [0,0,1,0,0,0|3,0,0]=4 133 B15R2.17 CCc1cccc(n1)C2=CCOCC2 271570a_100000070234_100009856026 [0,0,1,0,0,0|3,0,0]=4 134 B15R2.17 CCc1cccc(n1)C2=CCSCC2 271570a_100010232141_100009856026 [0,0,1,0,0,0|3,0,0]=4 135 B15R2.17 CCc1cccc(n1)C2=COCCC2 271570a_100010175576_100009856026 [0,0,1,0,0,0|3,0,0]=4 136 B15R2.17 CCc1ccnc(c1)C2=CCCCC2 271570a_100000062251_100009817561 [0,0,1,0,0,0|2,0,0]=3 137 B15R2.17 CCc1ccnc(c1)C2=CCCCO2 271570a_100010177797_100009817561 [0,0,1,0,0,0|3,0,0]=4 138 B15R2.17 CCc1ccnc(c1)C2=CCNCC2 271570a_100000731432_100009817561 [0,0,1,0,0,0|3,0,0]=4 139 B15R2.17 CCc1ccnc(c1)C2=CCOCC2 271570a_100000070234_100009817561 [0,0,1,0,0,0|3,0,0]=4 140 B15R2.17 CCc1ccnc(c1)C2=CCSCC2 271570a_100010232141_100009817561 [0,0,1,0,0,0|3,0,0]=4 141 B15R2.17 CCc1ccnc(c1)C2=COCCC2 271570a_100010175576_100009817561 [0,0,1,0,0,0|3,0,0]=4 142 B15R2.17 CCc1ccnc(n1)C2=CCCCC2 271570a_100000062251_100000100215 [0,0,1,0,0,0|3,0,0]=4 143 B15R2.17 CCc1cncc(c1)C2=CCCCC2 271570a_100000062251_200009819073 [0,0,1,0,0,0|2,0,0]=3 144 B15R2.17 CCc1cncc(c1)C2=CCCCO2 271570a_100010177797_200009819073 [0,0,1,0,0,0|3,0,0]=4 145 B15R2.17 CCc1cncc(c1)C2=CCNCC2 271570a_100000731432_200009819073 [0,0,1,0,0,0|3,0,0]=4 146 B15R2.17 CCc1cncc(c1)C2=CCOCC2 271570a_100000070234_200009819073 [0,0,1,0,0,0|3,0,0]=4 147 B15R2.17 CCc1cncc(c1)C2=CCSCC2 271570a_100010232141_200009819073 [0,0,1,0,0,0|3,0,0]=4 148 B15R2.17 CCc1cncc(c1)C2=COCCC2 271570a_100010175576_200009819073 [0,0,1,0,0,0|3,0,0]=4 149 B15R2.17 CNc1cc(ccn1)C2=CCCCC2 271570a_100000062251_100009819592 [0,0,1,0,0,0|3,0,0]=4 150 B15R2.17 CNc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000219648 [0,0,1,0,0,0|2,0,0]=3 151 B15R2.17 CNc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000219648 [0,0,1,0,0,0|3,0,0]=4 152 B15R2.17 CNc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000219648 [0,0,1,0,0,0|3,0,0]=4 153 B15R2.17 CNc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000219648 [0,0,1,0,0,0|3,0,0]=4 154 B15R2.17 CNc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000219648 [0,0,1,0,0,0|3,0,0]=4 155 B15R2.17 CNc1cccc(c1)C2=COCCC2 271570a_100010175576_100000219648 [0,0,1,0,0,0|3,0,0]=4 156 B15R2.17 CNc1cccc(n1)C2=CCCCC2 271570a_100000062251_100000703281 [0,0,1,0,0,0|3,0,0]=4 157 B15R2.17 CNc1ccnc(c1)C2=CCCCC2 271570a_100000062251_100009869472 [0,0,1,0,0,0|3,0,0]=4 158 B15R2.17 CNc1cncc(c1)C2=CCCCC2 271570a_100000062251_100012184536 [0,0,1,0,0,0|3,0,0]=4 159 B15R2.17 COc1cc(ccn1)C2=CCCCC2 271570a_100000062251_100000117307 [0,0,1,0,0,0|3,0,0]=4 160 B15R2.17 COc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000170001 [0,0,1,0,0,0|2,0,0]=3 161 B15R2.17 COc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000170001 [0,0,1,0,0,0|3,0,0]=4 162 B15R2.17 COc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000170001 [0,0,1,0,0,0|3,0,0]=4 163 B15R2.17 COc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000170001 [0,0,1,0,0,0|3,0,0]=4 164 B15R2.17 COc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000170001 [0,0,1,0,0,0|3,0,0]=4 165 B15R2.17 COc1cccc(c1)C2=COCCC2 271570a_100010175576_100000170001 [0,0,1,0,0,0|3,0,0]=4 166 B15R2.17 COc1cccc(n1)C2=CCCCC2 271570a_100000062251_100000760917 [0,0,1,0,0,0|3,0,0]=4 167 B15R2.17 COc1ccnc(c1)C2=CCCCC2 271570a_100000062251_100011216251 [0,0,1,0,0,0|3,0,0]=4 168 B15R2.17 COc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000684773 [0,0,1,0,0,0|3,0,0]=4 169 B15R2.17 CSc1cccc(c1)C2=CCCCC2 271570a_100000062251_100011215954 [0,0,1,0,0,0|2,0,0]=3 170 B15R2.17 CSc1cccc(c1)C2=CCCCO2 271570a_100010177797_100011215954 [0,0,1,0,0,0|3,0,0]=4 171 B15R2.17 CSc1cccc(c1)C2=CCNCC2 271570a_100000731432_100011215954 [0,0,1,0,0,0|3,0,0]=4 172 B15R2.17 CSc1cccc(c1)C2=CCOCC2 271570a_100000070234_100011215954 [0,0,1,0,0,0|3,0,0]=4 173 B15R2.17 CSc1cccc(c1)C2=CCSCC2 271570a_100010232141_100011215954 [0,0,1,0,0,0|3,0,0]=4 174 B15R2.17 CSc1cccc(c1)C2=COCCC2 271570a_100010175576_100011215954 [0,0,1,0,0,0|3,0,0]=4 175 B15R2.17 CSc1cccc(n1)C2=CCCCC2 271570a_100000062251_100011960944 [0,0,1,0,0,0|3,0,0]=4 176 B15R2.17 CSc1ccnc(c1)C2=CCCCC2 271570a_100000062251_100010883326 [0,0,1,0,0,0|3,0,0]=4 177 B15R2.17 CSc1cncc(c1)C2=CCCCC2 271570a_100000062251_100009816972 [0,0,1,0,0,0|3,0,0]=4 178 B15R2.17 FCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100010878472 [0,0,1,0,0,0|2,0,0]=3 179 B15R2.17 FCc1cccc(c1)C2=CCCCO2 271570a_100010177797_100010878472 [0,0,1,0,0,0|3,0,0]=4 180 B15R2.17 FCc1cccc(c1)C2=CCNCC2 271570a_100000731432_100010878472 [0,0,1,0,0,0|3,0,0]=4 181 B15R2.17 FCc1cccc(c1)C2=CCOCC2 271570a_100000070234_100010878472 [0,0,1,0,0,0|3,0,0]=4 182 B15R2.17 FCc1cccc(c1)C2=CCSCC2 271570a_100010232141_100010878472 [0,0,1,0,0,0|3,0,0]=4 183 B15R2.17 FCc1cccc(c1)C2=COCCC2 271570a_100010175576_100010878472 [0,0,1,0,0,0|3,0,0]=4 184 B15R2.17 N#Cc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000189340 [0,0,1,0,0,0|2,0,1]=4 185 B15R2.17 NCc1cc(ccn1)C2=CCCCC2 271570a_100000062251_100000085674 [0,0,1,0,0,0|3,0,0]=4 186 B15R2.17 NCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000106179 [0,0,1,0,0,0|2,0,0]=3 187 B15R2.17 NCc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000106179 [0,0,1,0,0,0|3,0,0]=4 188 B15R2.17 NCc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000106179 [0,0,1,0,0,0|3,0,0]=4 189 B15R2.17 NCc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000106179 [0,0,1,0,0,0|3,0,0]=4 190 B15R2.17 NCc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000106179 [0,0,1,0,0,0|3,0,0]=4 191 B15R2.17 NCc1cccc(c1)C2=COCCC2 271570a_100010175576_100000106179 [0,0,1,0,0,0|3,0,0]=4 192 B15R2.17 NCc1cccc(n1)C2=CCCCC2 271570a_100000062251_100016990191 [0,0,1,0,0,0|3,0,0]=4 193 B15R2.17 NCc1cncc(c1)C2=CCCCC2 271570a_100000062251_100011249555 [0,0,1,0,0,0|3,0,0]=4 194 B15R2.17 NNc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000217339 [0,0,1,0,0,0|3,0,0]=4 195 B15R2.17 O=Cc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000014684 [0,0,1,0,0,0|2,0,1]=4 196 B15R2.17 OCc1cc(ccn1)C2=CCCCC2 271570a_100000062251_100009819072 [0,0,1,0,0,0|3,0,0]=4 197 B15R2.17 OCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000687537 [0,0,1,0,0,0|2,0,0]=3 198 B15R2.17 OCc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000687537 [0,0,1,0,0,0|3,0,0]=4 199 B15R2.17 OCc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000687537 [0,0,1,0,0,0|3,0,0]=4 200 B15R2.17 OCc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000687537 [0,0,1,0,0,0|3,0,0]=4 201 B15R2.17 OCc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000687537 [0,0,1,0,0,0|3,0,0]=4 202 B15R2.17 OCc1cccc(c1)C2=COCCC2 271570a_100010175576_100000687537 [0,0,1,0,0,0|3,0,0]=4 203 B15R2.17 OCc1cccc(n1)C2=CCCCC2 271570a_100000062251_100000694195 [0,0,1,0,0,0|3,0,0]=4 204 B15R2.17 OCc1ccnc(c1)C2=CCCCC2 271570a_100000062251_100009814636 [0,0,1,0,0,0|3,0,0]=4 205 B15R2.17 OCc1cncc(c1)C2=CCCCC2 271570a_100000062251_100011259137 [0,0,1,0,0,0|3,0,0]=4 206 B15R2.94 Brc1ccc(cc1Br)C2=CCCCC2 271570a_100000062251_100012356285 [0,0,1,0,0,0|3,0,0]=4 207 B15R2.94 Cc1cc(ccc1Br)C2=CCCCC2 271570a_100000062251_100009813585 [0,0,1,0,0,0|2,0,0]=3 208 B15R2.94 Cc1cc(ccc1Br)C2=CCCCO2 271570a_100010177797_100009813585 [0,0,1,0,0,0|3,0,0]=4 209 B15R2.94 Cc1cc(ccc1Br)C2=CCNCC2 271570a_100000731432_100009813585 [0,0,1,0,0,0|3,0,0]=4 210 B15R2.94 Cc1cc(ccc1Br)C2=CCOCC2 271570a_100000070234_100009813585 [0,0,1,0,0,0|3,0,0]=4 211 B15R2.94 Cc1cc(ccc1Br)C2=CCSCC2 271570a_100010232141_100009813585 [0,0,1,0,0,0|3,0,0]=4 212 B15R2.94 Cc1cc(ccc1Br)C2=COCCC2 271570a_100010175576_100009813585 [0,0,1,0,0,0|3,0,0]=4 213 B15R2.94 Cc1cc(ccc1Cl)C2=CCCCC2 271570a_100000062251_100000049509 [0,0,1,0,0,0|2,0,0]=3 214 B15R2.94 Cc1cc(ccc1Cl)C2=CCCCO2 271570a_100010177797_100000049509 [0,0,1,0,0,0|3,0,0]=4 215 B15R2.94 Cc1cc(ccc1Cl)C2=CCNCC2 271570a_100000731432_100000049509 [0,0,1,0,0,0|3,0,0]=4 216 B15R2.94 Cc1cc(ccc1Cl)C2=CCOCC2 271570a_100000070234_100000049509 [0,0,1,0,0,0|3,0,0]=4 217 B15R2.94 Cc1cc(ccc1Cl)C2=CCSCC2 271570a_100010232141_100000049509 [0,0,1,0,0,0|3,0,0]=4 218 B15R2.94 Cc1cc(ccc1Cl)C2=COCCC2 271570a_100010175576_100000049509 [0,0,1,0,0,0|3,0,0]=4 219 B15R2.94 Cc1cc(ccc1F)C2=CCCCC2 271570a_100000062251_100011218330 [0,0,1,0,0,0|2,0,0]=3 220 B15R2.94 Cc1cc(ccc1F)C2=CCCCO2 271570a_100010177797_100011218330 [0,0,1,0,0,0|3,0,0]=4 221 B15R2.94 Cc1cc(ccc1F)C2=CCNCC2 271570a_100000731432_100011218330 [0,0,1,0,0,0|3,0,0]=4 222 B15R2.94 Cc1cc(ccc1F)C2=CCOCC2 271570a_100000070234_100011218330 [0,0,1,0,0,0|3,0,0]=4 223 B15R2.94 Cc1cc(ccc1F)C2=CCSCC2 271570a_100010232141_100011218330 [0,0,1,0,0,0|3,0,0]=4 224 B15R2.94 Cc1cc(ccc1F)C2=COCCC2 271570a_100010175576_100011218330 [0,0,1,0,0,0|3,0,0]=4 225 B15R2.94 Cc1cc(ccc1N)C2=CCCCC2 271570a_100000062251_100000211769 [0,0,1,0,0,0|2,0,0]=3 226 B15R2.94 Cc1cc(ccc1N)C2=CCCCO2 271570a_100010177797_100000211769 [0,0,1,0,0,0|3,0,0]=4 227 B15R2.94 Cc1cc(ccc1N)C2=CCNCC2 271570a_100000731432_100000211769 [0,0,1,0,0,0|3,0,0]=4 228 B15R2.94 Cc1cc(ccc1N)C2=CCOCC2 271570a_100000070234_100000211769 [0,0,1,0,0,0|3,0,0]=4 229 B15R2.94 Cc1cc(ccc1N)C2=CCSCC2 271570a_100010232141_100000211769 [0,0,1,0,0,0|3,0,0]=4 230 B15R2.94 Cc1cc(ccc1N)C2=COCCC2 271570a_100010175576_100000211769 [0,0,1,0,0,0|3,0,0]=4 231 B15R2.94 Cc1cc(ccc1O)C2=CCCCC2 271570a_100000062251_100000186361 [0,0,1,0,0,0|2,0,0]=3 232 B15R2.94 Cc1cc(ccc1O)C2=CCCCO2 271570a_100010177797_100000186361 [0,0,1,0,0,0|3,0,0]=4 233 B15R2.94 Cc1cc(ccc1O)C2=CCNCC2 271570a_100000731432_100000186361 [0,0,1,0,0,0|3,0,0]=4 234 B15R2.94 Cc1cc(ccc1O)C2=CCOCC2 271570a_100000070234_100000186361 [0,0,1,0,0,0|3,0,0]=4 235 B15R2.94 Cc1cc(ccc1O)C2=CCSCC2 271570a_100010232141_100000186361 [0,0,1,0,0,0|3,0,0]=4 236 B15R2.94 Cc1cc(ccc1O)C2=COCCC2 271570a_100010175576_100000186361 [0,0,1,0,0,0|3,0,0]=4 237 B15R2.94 Cc1cc(cnc1Br)C2=CCCCC2 271570a_100000062251_100009816107 [0,0,1,0,0,0|3,0,0]=4 238 B15R2.94 Cc1cc(cnc1C)C2=CCCCC2 271570a_100000062251_100000697892 [0,0,1,0,0,0|2,0,0]=3 239 B15R2.94 Cc1cc(cnc1C)C2=CCCCO2 271570a_100010177797_100000697892 [0,0,1,0,0,0|3,0,0]=4 240 B15R2.94 Cc1cc(cnc1C)C2=CCNCC2 271570a_100000731432_100000697892 [0,0,1,0,0,0|3,0,0]=4 241 B15R2.94 Cc1cc(cnc1C)C2=CCOCC2 271570a_100000070234_100000697892 [0,0,1,0,0,0|3,0,0]=4 242 B15R2.94 Cc1cc(cnc1C)C2=CCSCC2 271570a_100010232141_100000697892 [0,0,1,0,0,0|3,0,0]=4 243 B15R2.94 Cc1cc(cnc1C)C2=COCCC2 271570a_100010175576_100000697892 [0,0,1,0,0,0|3,0,0]=4 244 B15R2.94 Cc1cc(cnc1Cl)C2=CCCCC2 271570a_100000062251_100009922867 [0,0,1,0,0,0|3,0,0]=4 245 B15R2.94 Cc1cc(cnc1F)C2=CCCCC2 271570a_100000062251_100000709442 [0,0,1,0,0,0|3,0,0]=4 246 B15R2.94 Cc1cc(cnc1N)C2=CCCCC2 271570a_100000062251_100000186686 [0,0,1,0,0,0|3,0,0]=4 247 B15R2.94 Cc1cc(cnc1O)C2=CCCCC2 271570a_100000062251_100000685391 [0,0,1,0,0,0|3,0,0]=4 248 B15R2.94 Cc1cc(ncc1Br)C2=CCCCC2 271570a_100000062251_100012356354 [0,0,1,0,0,0|3,0,0]=4 249 B15R2.94 Cc1cc(ncc1F)C2=CCCCC2 271570a_100000062251_100009818257 [0,0,1,0,0,0|3,0,0]=4 250 B15R2.94 Cc1cc(ncc1N)C2=CCCCC2 271570a_100000062251_100000765520 [0,0,1,0,0,0|3,0,0]=4 251 B15R2.94 Cc1cc(ncc1O)C2=CCCCC2 271570a_100000062251_100000692680 [0,0,1,0,0,0|3,0,0]=4 252 B15R2.94 Cc1ccc(c[n+]1[O-])C2=CCCCC2 271570a_100000062251_100000703231 [0,0,1,0,0,0|3,0,0]=4 253 B15R2.94 Cc1ccc(cc1Br)C2=CCCCC2 271570a_100000062251_100011847877 [0,0,1,0,0,0|2,0,0]=3 254 B15R2.94 Cc1ccc(cc1Br)C2=CCCCO2 271570a_100010177797_100011847877 [0,0,1,0,0,0|3,0,0]=4 255 B15R2.94 Cc1ccc(cc1Br)C2=CCNCC2 271570a_100000731432_100011847877 [0,0,1,0,0,0|3,0,0]=4 256 B15R2.94 Cc1ccc(cc1Br)C2=CCOCC2 271570a_100000070234_100011847877 [0,0,1,0,0,0|3,0,0]=4 257 B15R2.94 Cc1ccc(cc1Br)C2=CCSCC2 271570a_100010232141_100011847877 [0,0,1,0,0,0|3,0,0]=4 258 B15R2.94 Cc1ccc(cc1Br)C2=COCCC2 271570a_100010175576_100011847877 [0,0,1,0,0,0|3,0,0]=4 259 B15R2.94 Cc1ccc(cc1C)C2=CCCCC2 271570a_100000062251_100011215607 [0,0,1,0,0,0|1,0,0]=2 260 B15R2.94 Cc1ccc(cc1C)C2=CCCCO2 271570a_100010177797_100011215607 [0,0,1,0,0,0|2,0,0]=3 261 B15R2.94 Cc1ccc(cc1C)C2=CCNCC2 271570a_100000731432_100011215607 [0,0,1,0,0,0|2,0,0]=3 262 B15R2.94 Cc1ccc(cc1C)C2=CCOCC2 271570a_100000070234_100011215607 [0,0,1,0,0,0|2,0,0]=3 263 B15R2.94 Cc1ccc(cc1C)C2=CCSCC2 271570a_100010232141_100011215607 [0,0,1,0,0,0|2,0,0]=3 264 B15R2.94 Cc1ccc(cc1C)C2=COCCC2 271570a_100010175576_100011215607 [0,0,1,0,0,0|2,0,0]=3 265 B15R2.94 Cc1ccc(cc1Cl)C2=CCCCC2 271570a_100000062251_100011216363 [0,0,1,0,0,0|2,0,0]=3 266 B15R2.94 Cc1ccc(cc1Cl)C2=CCCCO2 271570a_100010177797_100011216363 [0,0,1,0,0,0|3,0,0]=4 267 B15R2.94 Cc1ccc(cc1Cl)C2=CCNCC2 271570a_100000731432_100011216363 [0,0,1,0,0,0|3,0,0]=4 268 B15R2.94 Cc1ccc(cc1Cl)C2=CCOCC2 271570a_100000070234_100011216363 [0,0,1,0,0,0|3,0,0]=4 269 B15R2.94 Cc1ccc(cc1Cl)C2=CCSCC2 271570a_100010232141_100011216363 [0,0,1,0,0,0|3,0,0]=4 270 B15R2.94 Cc1ccc(cc1Cl)C2=COCCC2 271570a_100010175576_100011216363 [0,0,1,0,0,0|3,0,0]=4 271 B15R2.94 Cc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_100000720648 [0,0,1,0,0,0|2,0,0]=3 272 B15R2.94 Cc1ccc(cc1F)C2=CCCCO2 271570a_100010177797_100000720648 [0,0,1,0,0,0|3,0,0]=4 273 B15R2.94 Cc1ccc(cc1F)C2=CCNCC2 271570a_100000731432_100000720648 [0,0,1,0,0,0|3,0,0]=4 274 B15R2.94 Cc1ccc(cc1F)C2=CCOCC2 271570a_100000070234_100000720648 [0,0,1,0,0,0|3,0,0]=4 275 B15R2.94 Cc1ccc(cc1F)C2=CCSCC2 271570a_100010232141_100000720648 [0,0,1,0,0,0|3,0,0]=4 276 B15R2.94 Cc1ccc(cc1F)C2=COCCC2 271570a_100010175576_100000720648 [0,0,1,0,0,0|3,0,0]=4 277 B15R2.94 Cc1ccc(cc1N)C2=CCCCC2 271570a_100000062251_100000761890 [0,0,1,0,0,0|2,0,0]=3 278 B15R2.94 Cc1ccc(cc1N)C2=CCCCO2 271570a_100010177797_100000761890 [0,0,1,0,0,0|3,0,0]=4 279 B15R2.94 Cc1ccc(cc1N)C2=CCNCC2 271570a_100000731432_100000761890 [0,0,1,0,0,0|3,0,0]=4 280 B15R2.94 Cc1ccc(cc1N)C2=CCOCC2 271570a_100000070234_100000761890 [0,0,1,0,0,0|3,0,0]=4 281 B15R2.94 Cc1ccc(cc1N)C2=CCSCC2 271570a_100010232141_100000761890 [0,0,1,0,0,0|3,0,0]=4 282 B15R2.94 Cc1ccc(cc1N)C2=COCCC2 271570a_100010175576_100000761890 [0,0,1,0,0,0|3,0,0]=4 283 B15R2.94 Cc1ccc(cc1O)C2=CCCCC2 271570a_100000062251_100000766334 [0,0,1,0,0,0|2,0,0]=3 284 B15R2.94 Cc1ccc(cc1O)C2=CCCCO2 271570a_100010177797_100000766334 [0,0,1,0,0,0|3,0,0]=4 285 B15R2.94 Cc1ccc(cc1O)C2=CCNCC2 271570a_100000731432_100000766334 [0,0,1,0,0,0|3,0,0]=4 286 B15R2.94 Cc1ccc(cc1O)C2=CCOCC2 271570a_100000070234_100000766334 [0,0,1,0,0,0|3,0,0]=4 287 B15R2.94 Cc1ccc(cc1O)C2=CCSCC2 271570a_100010232141_100000766334 [0,0,1,0,0,0|3,0,0]=4 288 B15R2.94 Cc1ccc(cc1O)C2=COCCC2 271570a_100010175576_100000766334 [0,0,1,0,0,0|3,0,0]=4 289 B15R2.94 Cc1ccc(nc1C)C2=CCCCC2 271570a_100000062251_100000103781 [0,0,1,0,0,0|2,0,0]=3 290 B15R2.94 Cc1ccc(nc1C)C2=CCCCO2 271570a_100010177797_100000103781 [0,0,1,0,0,0|3,0,0]=4 291 B15R2.94 Cc1ccc(nc1C)C2=CCNCC2 271570a_100000731432_100000103781 [0,0,1,0,0,0|3,0,0]=4 292 B15R2.94 Cc1ccc(nc1C)C2=CCOCC2 271570a_100000070234_100000103781 [0,0,1,0,0,0|3,0,0]=4 293 B15R2.94 Cc1ccc(nc1C)C2=CCSCC2 271570a_100010232141_100000103781 [0,0,1,0,0,0|3,0,0]=4 294 B15R2.94 Cc1ccc(nc1C)C2=COCCC2 271570a_100010175576_100000103781 [0,0,1,0,0,0|3,0,0]=4 295 B15R2.94 Cc1ccc(nc1N)C2=CCCCC2 271570a_100000062251_100009857032 [0,0,1,0,0,0|3,0,0]=4 296 B15R2.94 Cc1cnc(cc1C)C2=CCCCC2 271570a_100000062251_100009850809 [0,0,1,0,0,0|2,0,0]=3 297 B15R2.94 Cc1cnc(cc1C)C2=CCCCO2 271570a_100010177797_100009850809 [0,0,1,0,0,0|3,0,0]=4 298 B15R2.94 Cc1cnc(cc1C)C2=CCNCC2 271570a_100000731432_100009850809 [0,0,1,0,0,0|3,0,0]=4 299 B15R2.94 Cc1cnc(cc1C)C2=CCOCC2 271570a_100000070234_100009850809 [0,0,1,0,0,0|3,0,0]=4 300 B15R2.94 Cc1cnc(cc1C)C2=CCSCC2 271570a_100010232141_100009850809 [0,0,1,0,0,0|3,0,0]=4 301 B15R2.94 Cc1cnc(cc1C)C2=COCCC2 271570a_100010175576_100009850809 [0,0,1,0,0,0|3,0,0]=4 302 B15R2.94 Cc1cnc(cc1F)C2=CCCCC2 271570a_100000062251_100009841206 [0,0,1,0,0,0|3,0,0]=4 303 B15R2.94 Cc1cnc(cc1N)C2=CCCCC2 271570a_100000062251_100000690170 [0,0,1,0,0,0|3,0,0]=4 304 B15R2.94 Cc1cnc(cc1O)C2=CCCCC2 271570a_100000062251_100000704368 [0,0,1,0,0,0|3,0,0]=4 305 B15R2.94 Cc1nc(ccc1Br)C2=CCCCC2 271570a_100000062251_100012360386 [0,0,1,0,0,0|3,0,0]=4 306 B15R2.94 Cc1nc(ccc1F)C2=CCCCC2 271570a_100000062251_100009814307 [0,0,1,0,0,0|3,0,0]=4 307 B15R2.94 Cc1nc(ccc1N)C2=CCCCC2 271570a_100000062251_100000760127 [0,0,1,0,0,0|3,0,0]=4 308 B15R2.94 Cc1nc(ccc1O)C2=CCCCC2 271570a_100000062251_100010233687 [0,0,1,0,0,0|3,0,0]=4 309 B15R2.94 Cc1ncc(cc1F)C2=CCCCC2 271570a_100000062251_100009845756 [0,0,1,0,0,0|3,0,0]=4 310 B15R2.94 Cc1ncc(cc1N)C2=CCCCC2 271570a_100000062251_100011999542 [0,0,1,0,0,0|3,0,0]=4 311 B15R2.94 Cc1ncc(cc1O)C2=CCCCC2 271570a_100000062251_100009864810 [0,0,1,0,0,0|3,0,0]=4 312 B15R2.94 Cc1ncc(nc1C)C2=CCCCC2 271570a_100000062251_100009878948 [0,0,1,0,0,0|3,0,0]=4 313 B15R2.94 Clc1cc(ccc1Br)C2=CCCCC2 271570a_100000062251_100012047281 [0,0,1,0,0,0|3,0,0]=4 314 B15R2.94 Clc1ccc(cc1Br)C2=CCCCC2 271570a_100000062251_100012353702 [0,0,1,0,0,0|3,0,0]=4 315 B15R2.94 Clc1ccc(cc1Cl)C2=CCCCC2 271570a_100000062251_100011214914 [0,0,1,0,0,0|3,0,0]=4 316 B15R2.94 Cn1cc(ccc1=O)C2=CCCCC2 271570a_100000062251_100011245003 [0,0,1,0,0,0|3,0,0]=4 317 B15R2.94 Cn1ccc(cc1=O)C2=CCCCC2 271570a_100000062251_100009820031 [0,0,1,0,0,0|3,0,0]=4 318 B15R2.94 Fc1cc(ccc1Br)C2=CCCCC2 271570a_100000062251_100000685389 [0,0,1,0,0,0|3,0,0]=4 319 B15R2.94 Fc1cc(ccc1Cl)C2=CCCCC2 271570a_100000062251_100011216805 [0,0,1,0,0,0|3,0,0]=4 320 B15R2.94 Fc1ccc(cc1Br)C2=CCCCC2 271570a_100000062251_100012047266 [0,0,1,0,0,0|3,0,0]=4 321 B15R2.94 Fc1ccc(cc1Cl)C2=CCCCC2 271570a_100000062251_100011215976 [0,0,1,0,0,0|3,0,0]=4 322 B15R2.94 Fc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_100000750028 [0,0,1,0,0,0|3,0,0]=4 323 B15R2.94 Nc1cc(ccc1Br)C2=CCCCC2 271570a_100000062251_100000750456 [0,0,1,0,0,0|3,0,0]=4 324 B15R2.94 Nc1cc(ccc1Cl)C2=CCCCC2 271570a_100000062251_200000761891 [0,0,1,0,0,0|3,0,0]=4 325 B15R2.94 Nc1cc(ccc1F)C2=CCCCC2 271570a_100000062251_100000740924 [0,0,1,0,0,0|3,0,0]=4 326 B15R2.94 Nc1cc(ccc1O)C2=CCCCC2 271570a_100000062251_100000752626 [0,0,1,0,0,0|3,0,0]=4 327 B15R2.94 Nc1ccc(cc1Br)C2=CCCCC2 271570a_100000062251_100000750455 [0,0,1,0,0,0|3,0,0]=4 328 B15R2.94 Nc1ccc(cc1Cl)C2=CCCCC2 271570a_100000062251_100011218065 [0,0,1,0,0,0|3,0,0]=4 329 B15R2.94 Nc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_100011215594 [0,0,1,0,0,0|3,0,0]=4 330 B15R2.94 Nc1ccc(cc1N)C2=CCCCC2 271570a_100000062251_100000741789 [0,0,1,0,0,0|3,0,0]=4 331 B15R2.94 Nc1ccc(cc1O)C2=CCCCC2 271570a_100000062251_100000739049 [0,0,1,0,0,0|3,0,0]=4 332 B15R2.94 Oc1cc(ccc1Br)C2=CCCCC2 271570a_100000062251_100012356990 [0,0,1,0,0,0|3,0,0]=4 333 B15R2.94 Oc1cc(ccc1Cl)C2=CCCCC2 271570a_100000062251_100011356854 [0,0,1,0,0,0|3,0,0]=4 334 B15R2.94 Oc1cc(ccc1F)C2=CCCCC2 271570a_100000062251_100000686035 [0,0,1,0,0,0|3,0,0]=4 335 B15R2.94 Oc1ccc(cc1Br)C2=CCCCC2 271570a_100000062251_100012361655 [0,0,1,0,0,0|3,0,0]=4 336 B15R2.94 Oc1ccc(cc1Cl)C2=CCCCC2 271570a_100000062251_100012360047 [0,0,1,0,0,0|3,0,0]=4 337 B15R2.94 Oc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_100000185481 [0,0,1,0,0,0|3,0,0]=4 338 B15R2.94 Oc1ccc(cc1O)C2=CCCCC2 271570a_100000062251_100009813601 [0,0,1,0,0,0|3,0,0]=4 339 B15R2.3423 C/C=C/CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100102629194 [0,0,1,0,0,0|2,0,1]=4 340 B15R2.3423 CC#CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000748600 [0,0,1,0,0,0|2,0,1]=4 341 B15R2.3423 CC=CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000070051 [0,0,1,0,0,0|2,0,1]=4 342 B15R2.3423 CCCCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210211 [0,0,1,0,0,0|2,0,0]=3 343 B15R2.3423 CCCNC(=O)c1ccc2c(c1)CC2 11a_100020643023_100000137882 [0,0,1,0,0,0|3,0,0]=4 344 B15R2.3423 CCCNC(=O)c1ccc2c(c1)CC2 1626a_100020643023_100000137882 [0,0,1,0,0,0|3,0,0]=4 345 B15R2.3423 CCCNC(=O)c1ccc2c(c1)CC2 240690a_100020643023_100000137882 [0,0,1,0,0,0|3,0,0]=4 346 B15R2.3423 CCCNC(=O)c1ccc2c(c1)CC2 527a_100020643023_100000137882 [0,0,1,0,0,0|3,0,0]=4 347 B15R2.3423 CCNNC(=O)c1ccc2c(c1)CC2 22a_100000756455_100000137882 [0,0,1,0,0,0|2,0,0]=3 348 B15R2.3423 COCCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000233755 [0,0,1,0,0,0|3,0,0]=4 349 B15R2.3423 CSCCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000751147 [0,0,1,0,0,0|3,0,0]=4 350 B15R2.3423 O=C(CCCF)c1ccc2c(c1)CC2 1458a_100000137882_100011934791 [0,0,1,0,0,0|2,0,1]=4 351 B15R2.3423 O=C(CCCO)c1ccc2c(c1)CC2 1458a_100000137882_100011215043 [0,0,1,0,0,0|2,0,1]=4 352 B15R2.3423 O=C(NCCF)c1ccc2c(c1)CC2 11a_100000724931_100000137882 [0,0,1,0,0,0|3,0,0]=4 353 B15R2.3423 O=C(NCCF)c1ccc2c(c1)CC2 1626a_100000724931_100000137882 [0,0,1,0,0,0|3,0,0]=4 354 B15R2.3423 O=C(NCCF)c1ccc2c(c1)CC2 240690a_100000724931_100000137882 [0,0,1,0,0,0|3,0,0]=4 355 B15R2.3423 O=C(NCCF)c1ccc2c(c1)CC2 527a_100000724931_100000137882 [0,0,1,0,0,0|3,0,0]=4 356 B15R2.3423 O=C(NCCO)c1ccc2c(c1)CC2 240690a_100000210304_100000137882 [0,0,1,0,0,0|3,0,0]=4 357 B15R2.3423 O=C(NCCO)c1ccc2c(c1)CC2 527a_100000210304_100000137882 [0,0,1,0,0,0|3,0,0]=4 358 B15R2.7912 C=CCCCSc1ccc2c(c1)CC2 62a_100009818592_100000757094 [0,0,1,0,0,0|2,0,1]=4 359 B15R2.7912 C=CCCCSc1ccc2c(c1)CC2 62a_100011713584_100009818592 [0,0,1,0,0,0|2,0,1]=4 360 B15R2.7912 CCCCC=Cc1ccc2c(c1)CC2 271570a_100016275911_100009818592 [0,0,1,0,0,0|1,0,0]=2 361 B15R2.7912 CCCCCSc1ccc2c(c1)CC2 62a_100000210326_100009818592 [0,0,1,0,0,0|2,0,1]=4 362 B15R2.7912 CCCCCSc1ccc2c(c1)CC2 62a_100009818592_100000210326 [0,0,1,0,0,0|2,0,1]=4 363 B15R2.7912 CCCCNCc1ccc2c(c1)CC2 207a_100000102301_100010273998 [0,0,1,0,0,0|2,0,1]=4 364 B15R2.7912 CCCCNCc1ccc2c(c1)CC2 270004a_100000102301_100010273998 [0,0,1,0,0,0|2,0,1]=4 365 B15R2.7912 CCCCOCc1ccc2c(c1)CC2 34a_100010733339_100000210210 [0,0,1,0,0,0|2,0,1]=4 366 B15R2.7912 CCCCOCc1ccc2c(c1)CC2 7a_100010733339_100000210211 [0,0,1,0,0,0|2,0,1]=4 367 B15R2.7912 CCCNN=Cc1ccc2c(c1)CC2 4a_100000740057_100010273998 [0,0,1,0,0,0|1,0,1]=3 368 B15R2.7912 COCCCSc1ccc2c(c1)CC2 62a_100000709357_100009818592 [0,0,1,0,0,0|2,0,1]=4 369 B15R2.7912 COCCCSc1ccc2c(c1)CC2 62a_100009818592_100000709357 [0,0,1,0,0,0|2,0,1]=4 370 B15R2.7912 COCCNCc1ccc2c(c1)CC2 207a_100000209980_100010273998 [0,0,1,0,0,0|2,0,1]=4 371 B15R2.7912 COCCNCc1ccc2c(c1)CC2 270004a_100000209980_100010273998 [0,0,1,0,0,0|2,0,1]=4 372 B15R2.7912 COCCOCc1ccc2c(c1)CC2 34a_100010733339_100011201679 [0,0,1,0,0,0|2,0,1]=4 373 B15R2.7912 COCCOCc1ccc2c(c1)CC2 7a_100010733339_100000233755 [0,0,1,0,0,0|2,0,1]=4 374 B15R2.7912 CSCCNCc1ccc2c(c1)CC2 207a_100020590264_100010273998 [0,0,1,0,0,0|2,0,1]=4 375 B15R2.7912 CSCCNCc1ccc2c(c1)CC2 270004a_100020590264_100010273998 [0,0,1,0,0,0|2,0,1]=4 376 B15R2.7912 CSCCOCc1ccc2c(c1)CC2 34a_100010733339_100000212216 [0,0,1,0,0,0|2,0,1]=4 377 B15R2.7912 CSCCOCc1ccc2c(c1)CC2 7a_100010733339_100000212216 [0,0,1,0,0,0|2,0,1]=4 378 B15R2.7912 FCCCCSc1ccc2c(c1)CC2 62a_100000729493_100009818592 [0,0,1,0,0,0|3,0,0]=4 379 B15R2.7912 FCCCCSc1ccc2c(c1)CC2 62a_100009818592_100000729493 [0,0,1,0,0,0|3,0,0]=4 380 B15R2.7912 OCCCCSc1ccc2c(c1)CC2 62a_100000210776_100009818592 [0,0,1,0,0,0|3,0,0]=4 381 B15R2.7912 OCCCCSc1ccc2c(c1)CC2 62a_100009818592_100000210776 [0,0,1,0,0,0|3,0,0]=4 382 B15R2.7912 OCCNN=Cc1ccc2c(c1)CC2 4a_100000210001_100010273998 [0,0,1,0,0,0|2,0,0]=3 383 B15R3.1713 C1=C(CCC1)c2ccc3c(c2)CC3 271570a_100000089523_100009818592 [0,0,0,0,1,0|0,0,0]=1 384 B15R3.1713 C1=C(CCO1)c2ccc3c(c2)CC3 271570a_100000118173_100009818592 [0,0,0,0,1,0|1,0,0]=2 385 B15R3.1713 C1=C(COC1)c2ccc3c(c2)CC3 271570a_100009872500_100009818592 [0,0,0,0,1,0|1,0,0]=2 386 B15R3.1713 c1c[nH]c(n1)c2ccc3c(c2)CC3 271570a_100016988920_100009818592 [0,0,0,0,1,0|1,0,2]=4 387 B15R3.1713 c1c[nH]c(n1)c2ccc3c(c2)CC3 271570a_100160486115_100025796157 [0,0,0,0,1,0|1,0,2]=4 388 B15R3.1713 c1cc(c[nH]1)c2ccc3c(c2)CC3 271570a_100000102155_100009818592 [0,0,0,0,1,0|0,0,2]=3 389 B15R3.1713 c1cc(co1)c2ccc3c(c2)CC3 271570a_100011218838_100009818592 [0,0,0,0,1,0|1,0,2]=4 390 B15R3.1713 c1cc(co1)c2ccc3c(c2)CC3 271570a_100160486115_100011215275 [0,0,0,0,1,0|1,0,2]=4 391 B15R3.1713 c1cc(cs1)c2ccc3c(c2)CC3 271570a_100011934443_100009818592 [0,0,0,0,1,0|1,0,2]=4 392 B15R3.1713 c1cc(cs1)c2ccc3c(c2)CC3 271570a_100160486115_100000738268 [0,0,0,0,1,0|1,0,2]=4 393 B15R3.1713 c1cc(n[nH]1)c2ccc3c(c2)CC3 271570a_100000062414_100009818592 [0,0,0,0,1,0|1,0,1]=3 394 B15R3.1713 c1cc(n[nH]1)c2ccc3c(c2)CC3 271570a_100160486115_100000062575 [0,0,0,0,1,0|1,0,1]=3 395 B15R3.1713 c1cc(ns1)c2ccc3c(c2)CC3 271570a_100160486115_100009818082 [0,0,0,0,1,0|1,0,2]=4 396 B15R3.1713 c1cc2c(cc1c3cn[nH]c3)CC2 271570a_100000041997_100009818592 [0,0,0,0,1,0|1,0,1]=3 397 B15R3.1713 c1cc2c(cc1c3cn[nH]c3)CC2 271570a_100160486115_100000238712 [0,0,0,0,1,0|1,0,1]=3 398 B15R3.1713 c1cc2c(cc1c3cnoc3)CC2 271570a_100160486115_100009815712 [0,0,0,0,1,0|1,0,2]=4 399 B15R3.1713 c1cc2c(cc1c3cnsc3)CC2 271570a_100160486115_100009815736 [0,0,0,0,1,0|1,0,2]=4 400 B15R3.1713 c1coc(c1)c2ccc3c(c2)CC3 271570a_100000750936_100009818592 [0,0,0,0,1,0|1,0,2]=4 401 B15R3.1713 c1coc(c1)c2ccc3c(c2)CC3 271570a_100160486115_100009814098 [0,0,0,0,1,0|1,0,2]=4 402 B15R3.1713 c1csc(c1)c2ccc3c(c2)CC3 271570a_100000742291_100009818592 [0,0,0,0,1,0|1,0,2]=4 403 B15R3.1713 c1csc(c1)c2ccc3c(c2)CC3 271570a_100160486115_100011215356 [0,0,0,0,1,0|1,0,2]=4 404 B15R3.1713 c1nc(c[nH]1)c2ccc3c(c2)CC3 271570a_100160486115_100000756875 [0,0,0,0,1,0|1,0,2]=4 405 B15R3.1713 c1nc(cs1)c2ccc3c(c2)CC3 271570a_100160486115_100000751502 [0,0,0,0,1,0|1,0,2]=4 406 B15R3.1713 c1nc(n[nH]1)c2ccc3c(c2)CC3 271570a_100160486115_100000761765 [0,0,0,0,1,0|2,0,1]=4 407 B15R3.1713 c1ncc(o1)c2ccc3c(c2)CC3 271570a_100160486115_100020591547 [0,0,0,0,1,0|2,0,1]=4 408 B15R3.1713 c1ncc(s1)c2ccc3c(c2)CC3 271570a_100010231675_100009818592 [0,0,0,0,1,0|2,0,1]=4 409 B15R3.1713 c1ncc(s1)c2ccc3c(c2)CC3 271570a_100160486115_100011934649 [0,0,0,0,1,0|2,0,1]=4 410 B17R3.1941 C1=C(CCCC1)c2cc3c(cn2)CCN3 271570a_100000062251_100020639910 [0,0,0,0,0,1|2,0,0]=3 411 B17R3.1941 C1=C(CCCC1)c2cc3c(cn2)CNC3 271570a_100000062251_100020645637 [0,0,0,0,0,1|2,0,0]=3 412 B17R3.1941 C1=C(CCCC1)c2cc3c(cn2)NCC3 271570a_100000062251_100009884275 [0,0,0,0,0,1|2,0,0]=3 413 B17R3.1941 C1=C(CCCC1)c2cc3c(cn2)OCC3 271570a_100000062251_102495363667 [0,0,0,0,0,1|2,0,0]=3 414 B17R3.1941 C1=C(CCCC1)c2ccc3[nH]ccc3c2 271570a_100000062251_100000211741 [0,0,0,0,0,1|1,0,2]=4 415 B17R3.1941 C1=C(CCCC1)c2ccc3[nH]cnc3c2 271570a_100000062251_100011265325 [0,0,0,0,0,1|2,0,1]=4 416 B17R3.1941 C1=C(CCCC1)c2ccc3[nH]ncc3c2 271570a_100000062251_100000049815 [0,0,0,0,0,1|2,0,1]=4 417 B17R3.1941 C1=C(CCCC1)c2ccc3c(c2)CCC3 271570a_100000062251_100000745594 [0,0,0,0,0,1|1,0,0]=2 418 B17R3.1941 C1=C(CCCC1)c2ccc3c(c2)CCN3 271570a_100000062251_100000026929 [0,0,0,0,0,1|1,0,0]=2 419 B17R3.1941 C1=C(CCCC1)c2ccc3c(c2)CCO3 271570a_100000062251_100000729065 [0,0,0,0,0,1|1,0,0]=2 420 B17R3.1941 C1=C(CCCC1)c2ccc3c(c2)CNC3 271570a_100000062251_100000702344 [0,0,0,0,0,1|1,0,0]=2 421 B17R3.1941 C1=C(CCCC1)c2ccc3c(c2)COC3 271570a_100000062251_100000698232 [0,0,0,0,0,1|1,0,0]=2 422 B17R3.1941 C1=C(CCCC1)c2ccc3c(c2)NCC3 271570a_100000062251_100000754641 [0,0,0,0,0,1|1,0,0]=2 423 B17R3.1941 C1=C(CCCC1)c2ccc3c(c2)OCC3 271570a_100000062251_100009818566 [0,0,0,0,0,1|1,0,0]=2 424 B17R3.1941 C1=C(CCCC1)c2ccc3c(c2)OCO3 271570a_100000062251_100000688060 [0,0,0,0,0,1|2,0,0]=3 425 B17R3.1941 C1=C(CCCC1)c2ccc3c(n2)CCC3 271570a_100000062251_100000046531 [0,0,0,0,0,1|2,0,0]=3 426 B17R3.1941 C1=C(CCCC1)c2ccc3c(n2)CCN3 271570a_100000062251_100009872833 [0,0,0,0,0,1|2,0,0]=3 427 B17R3.1941 C1=C(CCCC1)c2ccc3c(n2)CNC3 271570a_100000062251_100016995040 [0,0,0,0,0,1|2,0,0]=3 428 B17R3.1941 C1=C(CCCC1)c2ccc3cc[nH]c3c2 271570a_100000062251_100000743809 [0,0,0,0,0,1|1,0,2]=4 429 B17R3.1941 C1=C(CCCC1)c2ccc3ccoc3c2 271570a_100000062251_100000759542 [0,0,0,0,0,1|1,0,2]=4 430 B17R3.1941 C1=C(CCCC1)c2ccc3ccsc3c2 271570a_100000062251_100009888917 [0,0,0,0,0,1|1,0,2]=4 431 B17R3.1941 C1=C(CCCC1)c2ccc3cn[nH]c3c2 271570a_100000062251_100000049514 [0,0,0,0,0,1|2,0,1]=4 432 B17R3.1941 C1=C(CCCC1)c2ccc3cnoc3c2 271570a_100000062251_100009817722 [0,0,0,0,0,1|2,0,1]=4 433 B17R3.1941 C1=C(CCCC1)c2ccc3cscc3c2 271570a_100000062251_200010760811 [0,0,0,0,0,1|1,0,2]=4 434 B17R3.1941 C1=C(CCCC1)c2ccc3csnc3c2 271570a_100000062251_100010170880 [0,0,0,0,0,1|2,0,1]=4 435 B17R3.1941 C1=C(CCCC1)c2ccc3ncoc3c2 271570a_100000062251_100009817590 [0,0,0,0,0,1|2,0,1]=4 436 B17R3.1941 C1=C(CCCC1)c2ccc3ncsc3c2 271570a_100000062251_100009816678 [0,0,0,0,0,1|2,0,1]=4 437 B17R3.1941 C1=C(CCCC1)c2ccc3nn[nH]c3c2 271570a_100000062251_100009817464 [0,0,0,0,0,1|3,0,0]=4 438 B17R3.1941 C1=C(CCCC1)c2ccc3nonc3c2 271570a_100000062251_100009814275 [0,0,0,0,0,1|3,0,0]=4 439 B17R3.1941 C1=C(CCCC1)c2ccc3nsnc3c2 271570a_100000062251_100009814274 [0,0,0,0,0,1|3,0,0]=4 440 B17R3.1941 C1=C(CCCC1)c2ccc3occc3c2 271570a_100000062251_100012343831 [0,0,0,0,0,1|1,0,2]=4 441 B17R3.1941 C1=C(CCCC1)c2ccc3ocnc3c2 271570a_100000062251_100009816175 [0,0,0,0,0,1|2,0,1]=4 442 B17R3.1941 C1=C(CCCC1)c2ccc3oncc3c2 271570a_100000062251_100009817723 [0,0,0,0,0,1|2,0,1]=4 443 B17R3.1941 C1=C(CCCC1)c2ccc3sccc3c2 271570a_100000062251_100009814439 [0,0,0,0,0,1|1,0,2]=4 444 B17R3.1941 C1=C(CCCC1)c2ccc3scnc3c2 271570a_100000062251_100010005895 [0,0,0,0,0,1|2,0,1]=4 445 B17R3.1941 C1=C(CCCC1)c2cnc3c(c2)CCC3 271570a_100000062251_100000693888 [0,0,0,0,0,1|2,0,0]=3 446 B17R3.1941 C1=C(CCCC1)c2cnc3c(c2)CCN3 271570a_100000062251_100009817725 [0,0,0,0,0,1|2,0,0]=3 447 B17R3.1941 C1=C(CCCC1)c2cnc3c(c2)NCC3 271570a_100000062251_100000698607 [0,0,0,0,0,1|2,0,0]=3 448 B17R3.1941 C1=C(CCCC1)c2ncc3c(n2)CCC3 271570a_100000062251_100009881048 [0,0,0,0,0,1|3,0,0]=4 449 B17R3.1941 C1=C(CCCO1)c2cc3c(cn2)CCN3 271570a_100010175576_100020639910 [0,0,0,0,0,1|3,0,0]=4 450 B17R3.1941 C1=C(CCCO1)c2cc3c(cn2)CNC3 271570a_100010175576_100020645637 [0,0,0,0,0,1|3,0,0]=4 451 B17R3.1941 C1=C(CCCO1)c2cc3c(cn2)NCC3 271570a_100010175576_100009884275 [0,0,0,0,0,1|3,0,0]=4 452 B17R3.1941 C1=C(CCCO1)c2cc3c(cn2)OCC3 271570a_100010175576_102495363667 [0,0,0,0,0,1|3,0,0]=4 453 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)CCC3 271570a_100010175576_100000745594 [0,0,0,0,0,1|2,0,0]=3 454 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)CCN3 271570a_100010175576_100000026929 [0,0,0,0,0,1|2,0,0]=3 455 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)CCO3 271570a_100010175576_100000729065 [0,0,0,0,0,1|2,0,0]=3 456 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)CNC3 271570a_100010175576_100000702344 [0,0,0,0,0,1|2,0,0]=3 457 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)COC3 271570a_100010175576_100000698232 [0,0,0,0,0,1|2,0,0]=3 458 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)NCC3 271570a_100010175576_100000754641 [0,0,0,0,0,1|2,0,0]=3 459 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)OCC3 271570a_100010175576_100009818566 [0,0,0,0,0,1|2,0,0]=3 460 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)OCO3 271570a_100010175576_100000688060 [0,0,0,0,0,1|3,0,0]=4 461 B17R3.1941 C1=C(CCCO1)c2ccc3c(n2)CCC3 271570a_100010175576_100000046531 [0,0,0,0,0,1|3,0,0]=4 462 B17R3.1941 C1=C(CCCO1)c2ccc3c(n2)CCN3 271570a_100010175576_100009872833 [0,0,0,0,0,1|3,0,0]=4 463 B17R3.1941 C1=C(CCCO1)c2ccc3c(n2)CNC3 271570a_100010175576_100016995040 [0,0,0,0,0,1|3,0,0]=4 464 B17R3.1941 C1=C(CCCO1)c2cnc3c(c2)CCC3 271570a_100010175576_100000693888 [0,0,0,0,0,1|3,0,0]=4 465 B17R3.1941 C1=C(CCCO1)c2cnc3c(c2)CCN3 271570a_100010175576_100009817725 [0,0,0,0,0,1|3,0,0]=4 466 B17R3.1941 C1=C(CCCO1)c2cnc3c(c2)NCC3 271570a_100010175576_100000698607 [0,0,0,0,0,1|3,0,0]=4 467 B17R3.1941 C1=C(CCNC1)c2cc3c(cn2)CCN3 271570a_100000731432_100020639910 [0,0,0,0,0,1|3,0,0]=4 468 B17R3.1941 C1=C(CCNC1)c2cc3c(cn2)CNC3 271570a_100000731432_100020645637 [0,0,0,0,0,1|3,0,0]=4 469 B17R3.1941 C1=C(CCNC1)c2cc3c(cn2)NCC3 271570a_100000731432_100009884275 [0,0,0,0,0,1|3,0,0]=4 470 B17R3.1941 C1=C(CCNC1)c2cc3c(cn2)OCC3 271570a_100000731432_102495363667 [0,0,0,0,0,1|3,0,0]=4 471 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)CCC3 271570a_100000731432_100000745594 [0,0,0,0,0,1|2,0,0]=3 472 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)CCN3 271570a_100000731432_100000026929 [0,0,0,0,0,1|2,0,0]=3 473 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)CCO3 271570a_100000731432_100000729065 [0,0,0,0,0,1|2,0,0]=3 474 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)CNC3 271570a_100000731432_100000702344 [0,0,0,0,0,1|2,0,0]=3 475 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)COC3 271570a_100000731432_100000698232 [0,0,0,0,0,1|2,0,0]=3 476 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)NCC3 271570a_100000731432_100000754641 [0,0,0,0,0,1|2,0,0]=3 477 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)OCC3 271570a_100000731432_100009818566 [0,0,0,0,0,1|2,0,0]=3 478 B17R3.1941 C1=C(CCNC1)c2ccc3c(c2)OCO3 271570a_100000731432_100000688060 [0,0,0,0,0,1|3,0,0]=4 479 B17R3.1941 C1=C(CCNC1)c2ccc3c(n2)CCC3 271570a_100000731432_100000046531 [0,0,0,0,0,1|3,0,0]=4 480 B17R3.1941 C1=C(CCNC1)c2ccc3c(n2)CCN3 271570a_100000731432_100009872833 [0,0,0,0,0,1|3,0,0]=4 481 B17R3.1941 C1=C(CCNC1)c2ccc3c(n2)CNC3 271570a_100000731432_100016995040 [0,0,0,0,0,1|3,0,0]=4 482 B17R3.1941 C1=C(CCNC1)c2cnc3c(c2)CCC3 271570a_100000731432_100000693888 [0,0,0,0,0,1|3,0,0]=4 483 B17R3.1941 C1=C(CCNC1)c2cnc3c(c2)CCN3 271570a_100000731432_100009817725 [0,0,0,0,0,1|3,0,0]=4 484 B17R3.1941 C1=C(CCNC1)c2cnc3c(c2)NCC3 271570a_100000731432_100000698607 [0,0,0,0,0,1|3,0,0]=4 485 B17R3.1941 C1=C(CCOC1)c2cc3c(cn2)CCN3 271570a_100000070234_100020639910 [0,0,0,0,0,1|3,0,0]=4 486 B17R3.1941 C1=C(CCOC1)c2cc3c(cn2)CNC3 271570a_100000070234_100020645637 [0,0,0,0,0,1|3,0,0]=4 487 B17R3.1941 C1=C(CCOC1)c2cc3c(cn2)NCC3 271570a_100000070234_100009884275 [0,0,0,0,0,1|3,0,0]=4 488 B17R3.1941 C1=C(CCOC1)c2cc3c(cn2)OCC3 271570a_100000070234_102495363667 [0,0,0,0,0,1|3,0,0]=4 489 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)CCC3 271570a_100000070234_100000745594 [0,0,0,0,0,1|2,0,0]=3 490 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)CCN3 271570a_100000070234_100000026929 [0,0,0,0,0,1|2,0,0]=3 491 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)CCO3 271570a_100000070234_100000729065 [0,0,0,0,0,1|2,0,0]=3 492 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)CNC3 271570a_100000070234_100000702344 [0,0,0,0,0,1|2,0,0]=3 493 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)COC3 271570a_100000070234_100000698232 [0,0,0,0,0,1|2,0,0]=3 494 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)NCC3 271570a_100000070234_100000754641 [0,0,0,0,0,1|2,0,0]=3 495 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)OCC3 271570a_100000070234_100009818566 [0,0,0,0,0,1|2,0,0]=3 496 B17R3.1941 C1=C(CCOC1)c2ccc3c(c2)OCO3 271570a_100000070234_100000688060 [0,0,0,0,0,1|3,0,0]=4 497 B17R3.1941 C1=C(CCOC1)c2ccc3c(n2)CCC3 271570a_100000070234_100000046531 [0,0,0,0,0,1|3,0,0]=4 498 B17R3.1941 C1=C(CCOC1)c2ccc3c(n2)CCN3 271570a_100000070234_100009872833 [0,0,0,0,0,1|3,0,0]=4 499 B17R3.1941 C1=C(CCOC1)c2ccc3c(n2)CNC3 271570a_100000070234_100016995040 [0,0,0,0,0,1|3,0,0]=4 500 B17R3.1941 C1=C(CCOC1)c2cnc3c(c2)CCC3 271570a_100000070234_100000693888 [0,0,0,0,0,1|3,0,0]=4 501 B17R3.1941 C1=C(CCOC1)c2cnc3c(c2)CCN3 271570a_100000070234_100009817725 [0,0,0,0,0,1|3,0,0]=4 502 B17R3.1941 C1=C(CCOC1)c2cnc3c(c2)NCC3 271570a_100000070234_100000698607 [0,0,0,0,0,1|3,0,0]=4 503 B17R3.1941 C1=C(CCSC1)c2cc3c(cn2)CCN3 271570a_100010232141_100020639910 [0,0,0,0,0,1|3,0,0]=4 504 B17R3.1941 C1=C(CCSC1)c2cc3c(cn2)CNC3 271570a_100010232141_100020645637 [0,0,0,0,0,1|3,0,0]=4 505 B17R3.1941 C1=C(CCSC1)c2cc3c(cn2)NCC3 271570a_100010232141_100009884275 [0,0,0,0,0,1|3,0,0]=4 506 B17R3.1941 C1=C(CCSC1)c2cc3c(cn2)OCC3 271570a_100010232141_102495363667 [0,0,0,0,0,1|3,0,0]=4 507 B17R3.1941 C1=C(CCSC1)c2ccc3c(c2)CCC3 271570a_100010232141_100000745594 [0,0,0,0,0,1|2,0,0]=3 508 B17R3.1941 C1=C(CCSC1)c2ccc3c(c2)CCN3 271570a_100010232141_100000026929 [0,0,0,0,0,1|2,0,0]=3 509 B17R3.1941 C1=C(CCSC1)c2ccc3c(c2)CCO3 271570a_100010232141_100000729065 [0,0,0,0,0,1|2,0,0]=3 510 B17R3.1941 C1=C(CCSC1)c2ccc3c(c2)CNC3 271570a_100010232141_100000702344 [0,0,0,0,0,1|2,0,0]=3 511 B17R3.1941 C1=C(CCSC1)c2ccc3c(c2)COC3 271570a_100010232141_100000698232 [0,0,0,0,0,1|2,0,0]=3 512 B17R3.1941 C1=C(CCSC1)c2ccc3c(c2)NCC3 271570a_100010232141_100000754641 [0,0,0,0,0,1|2,0,0]=3 513 B17R3.1941 C1=C(CCSC1)c2ccc3c(c2)OCC3 271570a_100010232141_100009818566 [0,0,0,0,0,1|2,0,0]=3 514 B17R3.1941 C1=C(CCSC1)c2ccc3c(c2)OCO3 271570a_100010232141_100000688060 [0,0,0,0,0,1|3,0,0]=4 515 B17R3.1941 C1=C(CCSC1)c2ccc3c(n2)CCC3 271570a_100010232141_100000046531 [0,0,0,0,0,1|3,0,0]=4 516 B17R3.1941 C1=C(CCSC1)c2ccc3c(n2)CCN3 271570a_100010232141_100009872833 [0,0,0,0,0,1|3,0,0]=4 517 B17R3.1941 C1=C(CCSC1)c2ccc3c(n2)CNC3 271570a_100010232141_100016995040 [0,0,0,0,0,1|3,0,0]=4 518 B17R3.1941 C1=C(CCSC1)c2cnc3c(c2)CCC3 271570a_100010232141_100000693888 [0,0,0,0,0,1|3,0,0]=4 519 B17R3.1941 C1=C(CCSC1)c2cnc3c(c2)CCN3 271570a_100010232141_100009817725 [0,0,0,0,0,1|3,0,0]=4 520 B17R3.1941 C1=C(CCSC1)c2cnc3c(c2)NCC3 271570a_100010232141_100000698607 [0,0,0,0,0,1|3,0,0]=4 521 B17R3.1941 C1=C(OCCC1)c2cc3c(cn2)CCN3 271570a_100010177797_100020639910 [0,0,0,0,0,1|3,0,0]=4 522 B17R3.1941 C1=C(OCCC1)c2cc3c(cn2)CNC3 271570a_100010177797_100020645637 [0,0,0,0,0,1|3,0,0]=4 523 B17R3.1941 C1=C(OCCC1)c2cc3c(cn2)NCC3 271570a_100010177797_100009884275 [0,0,0,0,0,1|3,0,0]=4 524 B17R3.1941 C1=C(OCCC1)c2cc3c(cn2)OCC3 271570a_100010177797_102495363667 [0,0,0,0,0,1|3,0,0]=4 525 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)CCC3 271570a_100010177797_100000745594 [0,0,0,0,0,1|2,0,0]=3 526 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)CCN3 271570a_100010177797_100000026929 [0,0,0,0,0,1|2,0,0]=3 527 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)CCO3 271570a_100010177797_100000729065 [0,0,0,0,0,1|2,0,0]=3 528 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)CNC3 271570a_100010177797_100000702344 [0,0,0,0,0,1|2,0,0]=3 529 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)COC3 271570a_100010177797_100000698232 [0,0,0,0,0,1|2,0,0]=3 530 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)NCC3 271570a_100010177797_100000754641 [0,0,0,0,0,1|2,0,0]=3 531 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)OCC3 271570a_100010177797_100009818566 [0,0,0,0,0,1|2,0,0]=3 532 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)OCO3 271570a_100010177797_100000688060 [0,0,0,0,0,1|3,0,0]=4 533 B17R3.1941 C1=C(OCCC1)c2ccc3c(n2)CCC3 271570a_100010177797_100000046531 [0,0,0,0,0,1|3,0,0]=4 534 B17R3.1941 C1=C(OCCC1)c2ccc3c(n2)CCN3 271570a_100010177797_100009872833 [0,0,0,0,0,1|3,0,0]=4 535 B17R3.1941 C1=C(OCCC1)c2ccc3c(n2)CNC3 271570a_100010177797_100016995040 [0,0,0,0,0,1|3,0,0]=4 536 B17R3.1941 C1=C(OCCC1)c2cnc3c(c2)CCC3 271570a_100010177797_100000693888 [0,0,0,0,0,1|3,0,0]=4 537 B17R3.1941 C1=C(OCCC1)c2cnc3c(c2)CCN3 271570a_100010177797_100009817725 [0,0,0,0,0,1|3,0,0]=4 538 B17R3.1941 C1=C(OCCC1)c2cnc3c(c2)NCC3 271570a_100010177797_100000698607 [0,0,0,0,0,1|3,0,0]=4 539 B17R3.1941 C1=Cc2cc(ccc2C1)C3=CCCCC3 271570a_100000062251_100009814306 [0,0,0,0,0,1|1,0,1]=3 540 B17R3.1941 C1=Cc2cc(ccc2C1)C3=CCCCO3 271570a_100010177797_100009814306 [0,0,0,0,0,1|2,0,1]=4 541 B17R3.1941 C1=Cc2cc(ccc2C1)C3=CCNCC3 271570a_100000731432_100009814306 [0,0,0,0,0,1|2,0,1]=4 542 B17R3.1941 C1=Cc2cc(ccc2C1)C3=CCOCC3 271570a_100000070234_100009814306 [0,0,0,0,0,1|2,0,1]=4 543 B17R3.1941 C1=Cc2cc(ccc2C1)C3=CCSCC3 271570a_100010232141_100009814306 [0,0,0,0,0,1|2,0,1]=4 544 B17R3.1941 C1=Cc2cc(ccc2C1)C3=COCCC3 271570a_100010175576_100009814306 [0,0,0,0,0,1|2,0,1]=4 545 B17R3.1941 C1=Cc2ccc(cc2C1)C3=CCCCC3 271570a_100000062251_200009818231 [0,0,0,0,0,1|1,0,1]=3 546 B17R3.1941 C1=Cc2ccc(cc2C1)C3=CCCCO3 271570a_100010177797_200009818231 [0,0,0,0,0,1|2,0,1]=4 547 B17R3.1941 C1=Cc2ccc(cc2C1)C3=CCNCC3 271570a_100000731432_200009818231 [0,0,0,0,0,1|2,0,1]=4 548 B17R3.1941 C1=Cc2ccc(cc2C1)C3=CCOCC3 271570a_100000070234_200009818231 [0,0,0,0,0,1|2,0,1]=4 549 B17R3.1941 C1=Cc2ccc(cc2C1)C3=CCSCC3 271570a_100010232141_200009818231 [0,0,0,0,0,1|2,0,1]=4 550 B17R3.1941 C1=Cc2ccc(cc2C1)C3=COCCC3 271570a_100010175576_200009818231 [0,0,0,0,0,1|2,0,1]=4 551 B17R3.7252 C1=C(CCCCC1)c2ccc3c(c2)CC3 271570a_200009888920_100009818592 [0,0,0,0,0,1|1,0,0]=2 552 B17R3.8758 C1=CC(CCC1)Sc2ccc3c(c2)CC3 62a_100000751183_100009818592 [0,0,0,0,0,1|1,0,2]=4 553 B17R3.8758 C1=CC(CCC1)Sc2ccc3c(c2)CC3 62a_100009818592_100000751183 [0,0,0,0,0,1|1,0,2]=4 554 B17R3.8758 c1cc2c(cc1CN3CCCOC3)CC2 270004a_100000131196_100010273998 [0,0,0,0,0,1|2,0,1]=4 555 B17R3.8758 c1cc2c(cc1SC3CCCCC3)CC2 62a_100000210327_100009818592 [0,0,0,0,0,1|1,0,2]=4 556 B17R3.8758 c1cc2c(cc1SC3CCCCC3)CC2 62a_100009818592_100000210327 [0,0,0,0,0,1|1,0,2]=4 557 B17R3.8758 c1cc2c(cc1SC3CCCOC3)CC2 62a_100009818592_100000693364 [0,0,0,0,0,1|1,0,2]=4 558 B14R2.68 Brc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000752885 [1,0,1,0,0,0|2,0,0]=4 559 B14R2.68 Cc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000186775 [1,0,1,0,0,0|1,0,0]=3 560 B14R2.68 Cc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000186775 [1,0,1,0,0,0|2,0,0]=4 561 B14R2.68 Cc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000186775 [1,0,1,0,0,0|2,0,0]=4 562 B14R2.68 Cc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000186775 [1,0,1,0,0,0|2,0,0]=4 563 B14R2.68 Cc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000186775 [1,0,1,0,0,0|2,0,0]=4 564 B14R2.68 Cc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000186775 [1,0,1,0,0,0|2,0,0]=4 565 B14R2.68 Cc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000751577 [1,0,1,0,0,0|2,0,0]=4 566 B14R2.68 Cc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100000754016 [1,0,1,0,0,0|2,0,0]=4 567 B14R2.68 Clc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000755918 [1,0,1,0,0,0|2,0,0]=4 568 B14R2.68 Fc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000211213 [1,0,1,0,0,0|2,0,0]=4 569 B14R2.68 Nc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185761 [1,0,1,0,0,0|2,0,0]=4 570 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185759 [1,0,1,0,0,0|2,0,0]=4 571 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_203496583355_100009811967 [1,0,1,0,0,0|2,0,0]=4 572 B14R2.21 Brc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000691529 [1,0,1,0,0,0|2,0,0]=4 573 B14R2.21 C[n+]1cccc(c1)C2=CCCCC2 271570a_100000062251_100009996589 [1,0,1,0,0,0|2,0,0]=4 574 B14R2.21 Cc1cc(ccn1)C2=CCCCC2 271570a_100000062251_100000758586 [1,0,1,0,0,0|2,0,0]=4 575 B14R2.21 Cc1cccc(c1)C2=CCCCC2 271570a_100000062251_100011215228 [1,0,1,0,0,0|1,0,0]=3 576 B14R2.21 Cc1cccc(c1)C2=CCCCO2 271570a_100010177797_100011215228 [1,0,1,0,0,0|2,0,0]=4 577 B14R2.21 Cc1cccc(c1)C2=CCNCC2 271570a_100000731432_100011215228 [1,0,1,0,0,0|2,0,0]=4 578 B14R2.21 Cc1cccc(c1)C2=CCOCC2 271570a_100000070234_100011215228 [1,0,1,0,0,0|2,0,0]=4 579 B14R2.21 Cc1cccc(c1)C2=CCSCC2 271570a_100010232141_100011215228 [1,0,1,0,0,0|2,0,0]=4 580 B14R2.21 Cc1cccc(c1)C2=COCCC2 271570a_100010175576_100011215228 [1,0,1,0,0,0|2,0,0]=4 581 B14R2.21 Cc1cccc(n1)C2=CCCCC2 271570a_100000062251_100000742759 [1,0,1,0,0,0|2,0,0]=4 582 B14R2.21 Cc1ccnc(c1)C2=CCCCC2 271570a_100000062251_100000750283 [1,0,1,0,0,0|2,0,0]=4 583 B14R2.21 Cc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000760492 [1,0,1,0,0,0|2,0,0]=4 584 B14R2.21 Clc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000699651 [1,0,1,0,0,0|2,0,0]=4 585 B14R2.21 Fc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000685547 [1,0,1,0,0,0|2,0,0]=4 586 B14R2.21 Nc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000210019 [1,0,1,0,0,0|2,0,0]=4 587 B14R2.21 Oc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000211634 [1,0,1,0,0,0|2,0,0]=4 588 B14R2.21 [S]c1cccc(c1)C2=CCCCC2 271570a_100000062251_114929384022 [1,0,1,0,0,0|2,0,0]=4 589 B14R2.2557 C=CCCSc1ccc2c(c1)CC2 62a_100000754431_100009818592 [1,0,1,0,0,0|1,0,1]=4 590 B14R2.2557 C=CCCSc1ccc2c(c1)CC2 62a_100009818592_100000754431 [1,0,1,0,0,0|1,0,1]=4 591 B14R2.2557 C=CCNCc1ccc2c(c1)CC2 270004a_100020586998_100010273998 [1,0,1,0,0,0|0,0,1]=3 592 B14R2.2557 C=CCOCc1ccc2c(c1)CC2 34a_100010733339_100015514636 [1,0,1,0,0,0|1,0,1]=4 593 B14R2.2557 C=CCOCc1ccc2c(c1)CC2 7a_100010733339_100015514636 [1,0,1,0,0,0|1,0,1]=4 594 B14R2.2557 CCCC=Cc1ccc2c(c1)CC2 271570a_100016258520_100009818592 [1,0,1,0,0,0|0,0,0]=2 595 B14R2.2557 CCCCSc1ccc2c(c1)CC2 62a_100000210211_100009818592 [1,0,1,0,0,0|1,0,1]=4 596 B14R2.2557 CCCCSc1ccc2c(c1)CC2 62a_100009818592_100000210210 [1,0,1,0,0,0|1,0,1]=4 597 B14R2.2557 CCCNCc1ccc2c(c1)CC2 207a_100020643023_100010273998 [1,0,1,0,0,0|0,0,1]=3 598 B14R2.2557 CCCNCc1ccc2c(c1)CC2 270004a_100020643023_100010273998 [1,0,1,0,0,0|0,0,1]=3 599 B14R2.2557 CCCOCc1ccc2c(c1)CC2 34a_100010733339_100000210303 [1,0,1,0,0,0|1,0,1]=4 600 B14R2.2557 CCCOCc1ccc2c(c1)CC2 7a_100010733339_100000210303 [1,0,1,0,0,0|1,0,1]=4 601 B14R2.2557 CCNN=Cc1ccc2c(c1)CC2 4a_100000756455_100010273998 [1,0,1,0,0,0|1,0,0]=3 602 B14R2.2557 CCOC=Cc1ccc2c(c1)CC2 271570a_100016256518_100009818592 [1,0,1,0,0,0|1,0,0]=3 603 B14R2.2557 CCOCSc1ccc2c(c1)CC2 62a_100000739092_100009818592 [1,0,1,0,0,0|2,0,0]=4 604 B14R2.2557 CCOCSc1ccc2c(c1)CC2 62a_100009818592_100000739092 [1,0,1,0,0,0|2,0,0]=4 605 B14R2.2557 COCC=Cc1ccc2c(c1)CC2 271570a_100016286323_100009818592 [1,0,1,0,0,0|1,0,0]=3 606 B14R2.2557 COCCSc1ccc2c(c1)CC2 62a_100000233755_100009818592 [1,0,1,0,0,0|2,0,0]=4 607 B14R2.2557 COCCSc1ccc2c(c1)CC2 62a_100009818592_100000233755 [1,0,1,0,0,0|2,0,0]=4 608 B14R2.2557 CSCCSc1ccc2c(c1)CC2 62a_100000212216_100009818592 [1,0,1,0,0,0|2,0,0]=4 609 B14R2.2557 CSCCSc1ccc2c(c1)CC2 62a_100009818592_100000751147 [1,0,1,0,0,0|2,0,0]=4 610 B14R2.2557 FCCCSc1ccc2c(c1)CC2 62a_100009818592_100011934791 [1,0,1,0,0,0|2,0,0]=4 611 B14R2.2557 FCCCSc1ccc2c(c1)CC2 62a_100011934791_100009818592 [1,0,1,0,0,0|2,0,0]=4 612 B14R2.2557 FCCOCc1ccc2c(c1)CC2 34a_100010733339_100011217306 [1,0,1,0,0,0|2,0,0]=4 613 B14R2.2557 FCCOCc1ccc2c(c1)CC2 7a_100010733339_100011217306 [1,0,1,0,0,0|2,0,0]=4 614 B14R2.2557 OCCCSc1ccc2c(c1)CC2 62a_100009818592_100011215043 [1,0,1,0,0,0|2,0,0]=4 615 B14R2.2557 OCCCSc1ccc2c(c1)CC2 62a_100011215043_100009818592 [1,0,1,0,0,0|2,0,0]=4 616 B14R2.2557 OCCNCc1ccc2c(c1)CC2 207a_100000210304_100010273998 [1,0,1,0,0,0|1,0,0]=3 617 B14R2.2557 OCCNCc1ccc2c(c1)CC2 270004a_100000210304_100010273998 [1,0,1,0,0,0|1,0,0]=3 618 B14R2.2557 OCCOCc1ccc2c(c1)CC2 34a_100010733339_100000211926 [1,0,1,0,0,0|2,0,0]=4 619 B14R2.2557 OCCOCc1ccc2c(c1)CC2 7a_100010733339_100000211926 [1,0,1,0,0,0|2,0,0]=4 620 B14R2.9949 CCCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210303 [1,0,1,0,0,0|1,0,0]=3 621 B14R2.9949 CCNC(=O)c1ccc2c(c1)CC2 11a_100015525214_100000137882 [1,0,1,0,0,0|1,0,0]=3 622 B14R2.9949 CCNC(=O)c1ccc2c(c1)CC2 240690a_100015525214_100000137882 [1,0,1,0,0,0|1,0,0]=3 623 B14R2.9949 CCNC(=O)c1ccc2c(c1)CC2 527a_100015525214_100000137882 [1,0,1,0,0,0|1,0,0]=3 624 B14R2.9949 CNNC(=O)c1ccc2c(c1)CC2 22a_100016993582_100000137882 [1,0,1,0,0,0|2,0,0]=4 625 B14R2.9949 O=C(CCF)c1ccc2c(c1)CC2 1458a_100000137882_100011217306 [1,0,1,0,0,0|2,0,0]=4 626 B14R2.9949 O=C(CCO)c1ccc2c(c1)CC2 1458a_100000137882_100000211926 [1,0,1,0,0,0|2,0,0]=4 627 B16R2.1 CCc1ccc(cc1)C2=CC(=O)CCC2 271570a_100000723966_100011215824 [0,1,1,0,0,0|1,0,1]=4 628 B16R2.7 C/C=C/c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100016259036 [0,1,1,0,0,0|1,0,1]=4 629 B16R2.7 CC=Cc1ccc(cc1)C2=CCCCC2 271570a_100016259895_100009811967 [0,1,1,0,0,0|1,0,1]=4 630 B16R2.7 CCCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000750032 [0,1,1,0,0,0|1,0,0]=3 631 B16R2.7 CCCc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000750032 [0,1,1,0,0,0|2,0,0]=4 632 B16R2.7 CCCc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000750032 [0,1,1,0,0,0|2,0,0]=4 633 B16R2.7 CCCc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000750032 [0,1,1,0,0,0|2,0,0]=4 634 B16R2.7 CCCc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000750032 [0,1,1,0,0,0|2,0,0]=4 635 B16R2.7 CCCc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000750032 [0,1,1,0,0,0|2,0,0]=4 636 B16R2.7 CCNc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000219632 [0,1,1,0,0,0|1,0,0]=3 637 B16R2.7 CCNc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000219632 [0,1,1,0,0,0|2,0,0]=4 638 B16R2.7 CCNc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000219632 [0,1,1,0,0,0|2,0,0]=4 639 B16R2.7 CCNc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000219632 [0,1,1,0,0,0|2,0,0]=4 640 B16R2.7 CCNc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000219632 [0,1,1,0,0,0|2,0,0]=4 641 B16R2.7 CCNc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000219632 [0,1,1,0,0,0|2,0,0]=4 642 B16R2.7 CCNc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000741496 [0,1,1,0,0,0|2,0,0]=4 643 B16R2.7 CCOc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000169946 [0,1,1,0,0,0|1,0,0]=3 644 B16R2.7 CCOc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000169946 [0,1,1,0,0,0|2,0,0]=4 645 B16R2.7 CCOc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000169946 [0,1,1,0,0,0|2,0,0]=4 646 B16R2.7 CCOc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000169946 [0,1,1,0,0,0|2,0,0]=4 647 B16R2.7 CCOc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000169946 [0,1,1,0,0,0|2,0,0]=4 648 B16R2.7 CCOc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000169946 [0,1,1,0,0,0|2,0,0]=4 649 B16R2.7 CCOc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100011219444 [0,1,1,0,0,0|2,0,0]=4 650 B16R2.7 CCOc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100000753957 [0,1,1,0,0,0|2,0,0]=4 651 B16R2.7 CCSc1ccc(cc1)C2=CCCCC2 271570a_100000062251_200009811893 [0,1,1,0,0,0|1,0,0]=3 652 B16R2.7 CCSc1ccc(cc1)C2=CCCCC2 62a_100000210202_100009811967 [0,1,1,0,0,0|1,0,0]=3 653 B16R2.7 CCSc1ccc(cc1)C2=CCCCC2 62a_100009811967_100000210202 [0,1,1,0,0,0|1,0,0]=3 654 B16R2.7 CCSc1ccc(cc1)C2=CCCCO2 271570a_100010177797_200009811893 [0,1,1,0,0,0|2,0,0]=4 655 B16R2.7 CCSc1ccc(cc1)C2=CCNCC2 271570a_100000731432_200009811893 [0,1,1,0,0,0|2,0,0]=4 656 B16R2.7 CCSc1ccc(cc1)C2=CCNCC2 62a_100000210202_100015357501 [0,1,1,0,0,0|2,0,0]=4 657 B16R2.7 CCSc1ccc(cc1)C2=CCNCC2 62a_100015357501_100000210202 [0,1,1,0,0,0|2,0,0]=4 658 B16R2.7 CCSc1ccc(cc1)C2=CCOCC2 271570a_100000070234_200009811893 [0,1,1,0,0,0|2,0,0]=4 659 B16R2.7 CCSc1ccc(cc1)C2=CCSCC2 271570a_100010232141_200009811893 [0,1,1,0,0,0|2,0,0]=4 660 B16R2.7 CCSc1ccc(cc1)C2=COCCC2 271570a_100010175576_200009811893 [0,1,1,0,0,0|2,0,0]=4 661 B16R2.7 CCSc1ccc(cc1)C2CNCCN2 62a_100000210202_100010163160 [0,1,1,0,0,0|1,0,1]=4 662 B16R2.7 CCSc1ccc(cc1)C2CNCCO2 62a_100000210202_100000745233 [0,1,1,0,0,0|1,0,1]=4 663 B16R2.7 CCSc1ccc(cc1)[C@@H]2CCCNC2 62a_100000210202_106439422950 [0,1,1,0,0,0|0,0,2]=4 664 B16R2.7 CCSc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000690189 [0,1,1,0,0,0|2,0,0]=4 665 B16R2.7 CNCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000180866 [0,1,1,0,0,0|1,0,0]=3 666 B16R2.7 CNCc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000180866 [0,1,1,0,0,0|2,0,0]=4 667 B16R2.7 CNCc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000180866 [0,1,1,0,0,0|2,0,0]=4 668 B16R2.7 CNCc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000180866 [0,1,1,0,0,0|2,0,0]=4 669 B16R2.7 CNCc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000180866 [0,1,1,0,0,0|2,0,0]=4 670 B16R2.7 CNCc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000180866 [0,1,1,0,0,0|2,0,0]=4 671 B16R2.7 CNCc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100000026953 [0,1,1,0,0,0|2,0,0]=4 672 B16R2.7 COCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100011493685 [0,1,1,0,0,0|1,0,0]=3 673 B16R2.7 COCc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100011493685 [0,1,1,0,0,0|2,0,0]=4 674 B16R2.7 COCc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100011493685 [0,1,1,0,0,0|2,0,0]=4 675 B16R2.7 COCc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100011493685 [0,1,1,0,0,0|2,0,0]=4 676 B16R2.7 COCc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100011493685 [0,1,1,0,0,0|2,0,0]=4 677 B16R2.7 COCc1ccc(cc1)C2=COCCC2 271570a_100010175576_100011493685 [0,1,1,0,0,0|2,0,0]=4 678 B16R2.7 CSCc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100000753673 [0,1,1,0,0,0|2,0,0]=4 679 B16R2.7 FCSc1ccc(cc1)C2=CCCCC2 62a_100009811967_100015361967 [0,1,1,0,0,0|2,0,0]=4 680 B16R2.7 FCSc1ccc(cc1)C2=CCCCC2 62a_100015361967_100009811967 [0,1,1,0,0,0|2,0,0]=4 681 B16R2.7 N#CCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100011217881 [0,1,1,0,0,0|1,0,1]=4 682 B16R2.7 NCCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000755846 [0,1,1,0,0,0|1,0,0]=3 683 B16R2.7 NCCc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000755846 [0,1,1,0,0,0|2,0,0]=4 684 B16R2.7 NCCc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000755846 [0,1,1,0,0,0|2,0,0]=4 685 B16R2.7 NCCc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000755846 [0,1,1,0,0,0|2,0,0]=4 686 B16R2.7 NCCc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000755846 [0,1,1,0,0,0|2,0,0]=4 687 B16R2.7 NCCc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000755846 [0,1,1,0,0,0|2,0,0]=4 688 B16R2.7 NNCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100016993955 [0,1,1,0,0,0|2,0,0]=4 689 B16R2.7 O=CCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100011361690 [0,1,1,0,0,0|1,0,1]=4 690 B16R2.7 OCCc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000766406 [0,1,1,0,0,0|1,0,0]=3 691 B16R2.7 OCCc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000766406 [0,1,1,0,0,0|2,0,0]=4 692 B16R2.7 OCCc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000766406 [0,1,1,0,0,0|2,0,0]=4 693 B16R2.7 OCCc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000766406 [0,1,1,0,0,0|2,0,0]=4 694 B16R2.7 OCCc1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000766406 [0,1,1,0,0,0|2,0,0]=4 695 B16R2.7 OCCc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000766406 [0,1,1,0,0,0|2,0,0]=4 696 B16R2.7 OCCc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100012357577 [0,1,1,0,0,0|2,0,0]=4 697 B16R2.7 OCCc1ccc(nc1)C2=CCCCC2 271570a_100000062251_100009880866 [0,1,1,0,0,0|2,0,0]=4 698 B16R2.13 CC1CC=C(CC1)c2ccc(cc2)CF 271570a_100010240233_100010268989 [0,1,1,0,0,0|2,0,0]=4 699 B16R2.13 CC1CC=C(CC1)c2ccc(cc2)CN 271570a_100010240233_100016989417 [0,1,1,0,0,0|2,0,0]=4 700 B16R2.13 CC1CC=C(CC1)c2ccc(cc2)CO 271570a_100010240233_100000690907 [0,1,1,0,0,0|2,0,0]=4 701 B16R2.13 CCc1ccc(cc1)C2=CCC(CC2)C 271570a_100010240233_100011215824 [0,1,1,0,0,0|1,0,0]=3 702 B16R2.13 CCc1ccc(cc1)C2=CCC(CC2)O 271570a_100010254553_100011215824 [0,1,1,0,0,0|1,0,0]=3 703 B16R2.13 CCc1ccc(cn1)C2=CCC(CC2)C 271570a_100010240233_100009820025 [0,1,1,0,0,0|2,0,0]=4 704 B16R2.13 CCc1ccc(cn1)C2=CCC(CC2)O 271570a_100010254553_100009820025 [0,1,1,0,0,0|2,0,0]=4 705 B16R2.13 CCc1ccc(nc1)C2=CCC(CC2)C 271570a_100010240233_100009843584 [0,1,1,0,0,0|2,0,0]=4 706 B16R2.13 CCc1ccc(nc1)C2=CCC(CC2)O 271570a_100010254553_100009843584 [0,1,1,0,0,0|2,0,0]=4 707 B16R2.13 CNc1ccc(cc1)C2=CCC(CC2)C 271570a_100010240233_100000219623 [0,1,1,0,0,0|2,0,0]=4 708 B16R2.13 CNc1ccc(cc1)C2=CCC(CC2)O 271570a_100010254553_100000219623 [0,1,1,0,0,0|2,0,0]=4 709 B16R2.13 COc1ccc(cc1)C2=CCC(CC2)C 271570a_100010240233_100000171711 [0,1,1,0,0,0|2,0,0]=4 710 B16R2.13 COc1ccc(cc1)C2=CCC(CC2)O 271570a_100010254553_100000171711 [0,1,1,0,0,0|2,0,0]=4 711 B16R2.13 CSc1ccc(cc1)C2=CCC(CC2)C 271570a_100010240233_100011263217 [0,1,1,0,0,0|2,0,0]=4 712 B16R2.13 CSc1ccc(cc1)C2=CCC(CC2)O 271570a_100010254553_100011263217 [0,1,1,0,0,0|2,0,0]=4 713 B16R2.13 NCc1ccc(cc1)C2=CCC(CC2)O 271570a_100010254553_100016989417 [0,1,1,0,0,0|2,0,0]=4 714 B16R2.13 OC1CC=C(CC1)c2ccc(cc2)CF 271570a_100010254553_100010268989 [0,1,1,0,0,0|2,0,0]=4 715 B16R2.13 OCc1ccc(cc1)C2=CCC(CC2)O 271570a_100010254553_100000690907 [0,1,1,0,0,0|2,0,0]=4 716 B16R2.85 C=C(C)c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185454 [0,1,1,0,0,0|1,0,1]=4 717 B16R2.85 C=C(C)c1ccc(cc1)C2=CCCCC2 271570a_100000694244_100009811967 [0,1,1,0,0,0|1,0,1]=4 718 B16R2.85 CC(=O)c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185465 [0,1,1,0,0,0|1,0,1]=4 719 B16R2.85 CC(C)c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000750031 [0,1,1,0,0,0|1,0,0]=3 720 B16R2.85 CC(C)c1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000750031 [0,1,1,0,0,0|2,0,0]=4 721 B16R2.85 CC(C)c1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000750031 [0,1,1,0,0,0|2,0,0]=4 722 B16R2.85 CC(C)c1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000750031 [0,1,1,0,0,0|2,0,0]=4 723 B16R2.85 CC(C)c1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000750031 [0,1,1,0,0,0|2,0,0]=4 724 B16R2.85 CC(C)c1ccc(cc1)C2=COCCC2 271570a_100010175576_100000750031 [0,1,1,0,0,0|2,0,0]=4 725 B16R2.85 CC(C)c1ccc(cn1)C2=CCCCC2 271570a_100000062251_100010255768 [0,1,1,0,0,0|2,0,0]=4 726 B16R2.85 CC(C)c1ccc(nc1)C2=CCCCC2 271570a_100000062251_200009815286 [0,1,1,0,0,0|2,0,0]=4 727 B16R2.85 CC(N)c1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000723930 [0,1,1,0,0,0|2,0,0]=4 728 B16R2.85 CC(O)c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000745893 [0,1,1,0,0,0|1,0,0]=3 729 B16R2.85 CC(O)c1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000745893 [0,1,1,0,0,0|2,0,0]=4 730 B16R2.85 CC(O)c1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000745893 [0,1,1,0,0,0|2,0,0]=4 731 B16R2.85 CC(O)c1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000745893 [0,1,1,0,0,0|2,0,0]=4 732 B16R2.85 CC(O)c1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000745893 [0,1,1,0,0,0|2,0,0]=4 733 B16R2.85 CC(O)c1ccc(cc1)C2=COCCC2 271570a_100010175576_100000745893 [0,1,1,0,0,0|2,0,0]=4 734 B16R2.85 CC(O)c1ccc(cn1)C2=CCCCC2 271570a_100000062251_100012353650 [0,1,1,0,0,0|2,0,0]=4 735 B16R2.85 CC(O)c1ccc(nc1)C2=CCCCC2 271570a_100000062251_200010274204 [0,1,1,0,0,0|2,0,0]=4 736 B16R2.85 CN(C)c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000210421 [0,1,1,0,0,0|2,0,0]=4 737 B16R2.85 CS(=O)c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100009816266 [0,1,1,0,0,0|2,0,0]=4 738 B16R2.85 C[C@@H](N)c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000720352 [0,1,1,0,0,0|1,0,0]=3 739 B16R2.85 C[C@@H](N)c1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000720352 [0,1,1,0,0,0|2,0,0]=4 740 B16R2.85 C[C@@H](N)c1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000720352 [0,1,1,0,0,0|2,0,0]=4 741 B16R2.85 C[C@@H](N)c1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000720352 [0,1,1,0,0,0|2,0,0]=4 742 B16R2.85 C[C@@H](N)c1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000720352 [0,1,1,0,0,0|2,0,0]=4 743 B16R2.85 C[C@@H](N)c1ccc(cc1)C2=COCCC2 271570a_100010175576_100000720352 [0,1,1,0,0,0|2,0,0]=4 744 B16R2.85 C[C@H](N)c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000753911 [0,1,1,0,0,0|1,0,0]=3 745 B16R2.85 C[C@H](N)c1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000753911 [0,1,1,0,0,0|2,0,0]=4 746 B16R2.85 C[C@H](N)c1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000753911 [0,1,1,0,0,0|2,0,0]=4 747 B16R2.85 C[C@H](N)c1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000753911 [0,1,1,0,0,0|2,0,0]=4 748 B16R2.85 C[C@H](N)c1ccc(cc1)C2=CCSCC2 271570a_100010232141_100000753911 [0,1,1,0,0,0|2,0,0]=4 749 B16R2.85 C[C@H](N)c1ccc(cc1)C2=COCCC2 271570a_100010175576_100000753911 [0,1,1,0,0,0|2,0,0]=4 750 B16R2.85 C[C@H](N)c1ccc(nc1)C2=CCCCC2 271570a_100000062251_100015387476 [0,1,1,0,0,0|2,0,0]=4 751 B16R2.85 FC(F)c1ccc(cc1)C2=CCCCC2 271570a_100000062251_100010189923 [0,1,1,0,0,0|2,0,0]=4 752 B16R2.2279 CCc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_200010071577 [0,1,1,0,0,0|1,0,0]=3 753 B16R2.2279 CCc1ccc(cc1F)C2=CCCCO2 271570a_100010177797_200010071577 [0,1,1,0,0,0|2,0,0]=4 754 B16R2.2279 CCc1ccc(cc1F)C2=CCNCC2 271570a_100000731432_200010071577 [0,1,1,0,0,0|2,0,0]=4 755 B16R2.2279 CCc1ccc(cc1F)C2=CCOCC2 271570a_100000070234_200010071577 [0,1,1,0,0,0|2,0,0]=4 756 B16R2.2279 CCc1ccc(cc1F)C2=CCSCC2 271570a_100010232141_200010071577 [0,1,1,0,0,0|2,0,0]=4 757 B16R2.2279 CCc1ccc(cc1F)C2=COCCC2 271570a_100010175576_200010071577 [0,1,1,0,0,0|2,0,0]=4 758 B16R2.2279 CCc1ccc(cc1N)C2=CCCCC2 271570a_100000062251_100012354963 [0,1,1,0,0,0|1,0,0]=3 759 B16R2.2279 CCc1ccc(cc1N)C2=CCCCO2 271570a_100010177797_100012354963 [0,1,1,0,0,0|2,0,0]=4 760 B16R2.2279 CCc1ccc(cc1N)C2=CCNCC2 271570a_100000731432_100012354963 [0,1,1,0,0,0|2,0,0]=4 761 B16R2.2279 CCc1ccc(cc1N)C2=CCOCC2 271570a_100000070234_100012354963 [0,1,1,0,0,0|2,0,0]=4 762 B16R2.2279 CCc1ccc(cc1N)C2=CCSCC2 271570a_100010232141_100012354963 [0,1,1,0,0,0|2,0,0]=4 763 B16R2.2279 CCc1ccc(cc1N)C2=COCCC2 271570a_100010175576_100012354963 [0,1,1,0,0,0|2,0,0]=4 764 B16R2.2279 CNc1ccc(cc1C)C2=CCCCC2 271570a_100000062251_100000221803 [0,1,1,0,0,0|2,0,0]=4 765 B16R2.2279 CNc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_100000743884 [0,1,1,0,0,0|2,0,0]=4 766 B16R2.2279 CNc1ccc(cc1N)C2=CCCCC2 271570a_100000062251_100000741790 [0,1,1,0,0,0|2,0,0]=4 767 B16R2.2279 COc1ccc(cc1Br)C2=CCCCC2 271570a_100000062251_100011249507 [0,1,1,0,0,0|2,0,0]=4 768 B16R2.2279 COc1ccc(cc1C)C2=CCCCC2 271570a_100000062251_100011219705 [0,1,1,0,0,0|2,0,0]=4 769 B16R2.2279 COc1ccc(cc1Cl)C2=CCCCC2 271570a_100000062251_100012355395 [0,1,1,0,0,0|2,0,0]=4 770 B16R2.2279 COc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_100000185480 [0,1,1,0,0,0|2,0,0]=4 771 B16R2.2279 COc1ccc(cc1N)C2=CCCCC2 271570a_100000062251_100000743470 [0,1,1,0,0,0|2,0,0]=4 772 B16R2.2279 COc1ccc(cc1O)C2=CCCCC2 271570a_100000062251_100009816560 [0,1,1,0,0,0|2,0,0]=4 773 B16R2.2279 CSc1ccc(cc1Cl)C2=CCCCC2 271570a_100000062251_206447510565 [0,1,1,0,0,0|2,0,0]=4 774 B16R2.2279 CSc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_100010161220 [0,1,1,0,0,0|2,0,0]=4 775 B16R2.2279 Cc1cc(ccc1CF)C2=CCCCC2 271570a_100000062251_200010711859 [0,1,1,0,0,0|2,0,0]=4 776 B16R2.2279 Cc1cc(ccc1CN)C2=CCCCC2 271570a_100000062251_100000753881 [0,1,1,0,0,0|2,0,0]=4 777 B16R2.2279 Cc1cc(ccc1CO)C2=CCCCC2 271570a_100000062251_100000748258 [0,1,1,0,0,0|2,0,0]=4 778 B16R2.2279 NCc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_100000754580 [0,1,1,0,0,0|2,0,0]=4 779 B16R2.2279 Nc1cc(ccc1CO)C2=CCCCC2 271570a_100000062251_100000718831 [0,1,1,0,0,0|2,0,0]=4 780 B16R2.2279 OCc1ccc(cc1Br)C2=CCCCC2 271570a_100000062251_100010240206 [0,1,1,0,0,0|2,0,0]=4 781 B16R2.2279 OCc1ccc(cc1F)C2=CCCCC2 271570a_100000062251_100011191541 [0,1,1,0,0,0|2,0,0]=4 782 B16R2.2279 OCc1ccc(cc1O)C2=CCCCC2 271570a_100000062251_100000071718 [0,1,1,0,0,0|2,0,0]=4 783 B16R2.2506 CCc1ccc(c(c1)Br)C2=CCCCC2 271570a_100000062251_200009997437 [0,1,1,0,0,0|1,0,0]=3 784 B16R2.2506 CCc1ccc(c(c1)Br)C2=CCCCO2 271570a_100010177797_200009997437 [0,1,1,0,0,0|2,0,0]=4 785 B16R2.2506 CCc1ccc(c(c1)Br)C2=CCNCC2 271570a_100000731432_200009997437 [0,1,1,0,0,0|2,0,0]=4 786 B16R2.2506 CCc1ccc(c(c1)Br)C2=CCOCC2 271570a_100000070234_200009997437 [0,1,1,0,0,0|2,0,0]=4 787 B16R2.2506 CCc1ccc(c(c1)Br)C2=CCSCC2 271570a_100010232141_200009997437 [0,1,1,0,0,0|2,0,0]=4 788 B16R2.2506 CCc1ccc(c(c1)Br)C2=COCCC2 271570a_100010175576_200009997437 [0,1,1,0,0,0|2,0,0]=4 789 B16R2.2506 CCc1ccc(c(c1)F)C2=CCCCC2 271570a_100000062251_200010339503 [0,1,1,0,0,0|1,0,0]=3 790 B16R2.2506 CCc1ccc(c(c1)F)C2=CCCCO2 271570a_100010177797_200010339503 [0,1,1,0,0,0|2,0,0]=4 791 B16R2.2506 CCc1ccc(c(c1)F)C2=CCNCC2 271570a_100000731432_200010339503 [0,1,1,0,0,0|2,0,0]=4 792 B16R2.2506 CCc1ccc(c(c1)F)C2=CCOCC2 271570a_100000070234_200010339503 [0,1,1,0,0,0|2,0,0]=4 793 B16R2.2506 CCc1ccc(c(c1)F)C2=CCSCC2 271570a_100010232141_200010339503 [0,1,1,0,0,0|2,0,0]=4 794 B16R2.2506 CCc1ccc(c(c1)F)C2=COCCC2 271570a_100010175576_200010339503 [0,1,1,0,0,0|2,0,0]=4 795 B16R2.2506 CNc1ccc(c(c1)C)C2=CCCCC2 271570a_100000062251_100102888905 [0,1,1,0,0,0|2,0,0]=4 796 B16R2.2506 CNc1ccc(c(c1)F)C2=CCCCC2 271570a_100000062251_100012285320 [0,1,1,0,0,0|2,0,0]=4 797 B16R2.2506 COc1ccc(c(c1)Br)C2=CCCCC2 271570a_100000062251_100012349170 [0,1,1,0,0,0|2,0,0]=4 798 B16R2.2506 COc1ccc(c(c1)C)C2=CCCCC2 271570a_100000062251_100000759875 [0,1,1,0,0,0|2,0,0]=4 799 B16R2.2506 COc1ccc(c(c1)F)C2=CCCCC2 271570a_100000062251_100000753793 [0,1,1,0,0,0|2,0,0]=4 800 B16R2.2506 COc1ccc(c(c1)N)C2=CCCCC2 271570a_100000062251_100000748021 [0,1,1,0,0,0|2,0,0]=4 801 B16R2.2506 COc1ccc(c(c1)O)C2=CCCCC2 271570a_100000062251_100000719091 [0,1,1,0,0,0|2,0,0]=4 802 B16R2.2506 CSc1ccc(c(c1)F)C2=CCCCC2 271570a_100000062251_100009816902 [0,1,1,0,0,0|2,0,0]=4 803 B16R2.2506 Cc1cc(ccc1C2=CCCCC2)CN 271570a_100000062251_100015205234 [0,1,1,0,0,0|2,0,0]=4 804 B16R2.2506 Cc1cc(ccc1C2=CCCCC2)CO 271570a_100000062251_100000718852 [0,1,1,0,0,0|2,0,0]=4 805 B16R2.2506 NCc1ccc(c(c1)F)C2=CCCCC2 271570a_100000062251_100000755036 [0,1,1,0,0,0|2,0,0]=4 806 B16R2.2506 Nc1cc(ccc1C2=CCCCC2)CO 271570a_100000062251_100012347568 [0,1,1,0,0,0|2,0,0]=4 807 B16R2.2506 OCc1ccc(c(c1)Cl)C2=CCCCC2 271570a_100000062251_100000718186 [0,1,1,0,0,0|2,0,0]=4 808 B16R2.2506 OCc1ccc(c(c1)F)C2=CCCCC2 271570a_100000062251_100011533735 [0,1,1,0,0,0|2,0,0]=4 809 B16R2.2506 OCc1ccc(c(c1)O)C2=CCCCC2 271570a_100000062251_100000049605 [0,1,1,0,0,0|2,0,0]=4 810 B16R2.19 CCc1cc(cc(c1)C2=CCCCC2)N 271570a_100000062251_100010074814 [0,1,1,0,0,0|1,0,0]=3 811 B16R2.19 CCc1cc(cc(c1)C2=CCCCO2)N 271570a_100010177797_100010074814 [0,1,1,0,0,0|2,0,0]=4 812 B16R2.19 CCc1cc(cc(c1)C2=CCNCC2)N 271570a_100000731432_100010074814 [0,1,1,0,0,0|2,0,0]=4 813 B16R2.19 CCc1cc(cc(c1)C2=CCOCC2)N 271570a_100000070234_100010074814 [0,1,1,0,0,0|2,0,0]=4 814 B16R2.19 CCc1cc(cc(c1)C2=CCSCC2)N 271570a_100010232141_100010074814 [0,1,1,0,0,0|2,0,0]=4 815 B16R2.19 CCc1cc(cc(c1)C2=COCCC2)N 271570a_100010175576_100010074814 [0,1,1,0,0,0|2,0,0]=4 816 B16R2.19 CNc1cc(cc(c1)C2=CCCCC2)F 271570a_100000062251_106741647397 [0,1,1,0,0,0|2,0,0]=4 817 B16R2.19 COc1cc(cc(c1)C2=CCCCC2)Br 271570a_100000062251_100010141301 [0,1,1,0,0,0|2,0,0]=4 818 B16R2.19 COc1cc(cc(c1)C2=CCCCC2)C 271570a_100000062251_100010187550 [0,1,1,0,0,0|2,0,0]=4 819 B16R2.19 COc1cc(cc(c1)C2=CCCCC2)Cl 271570a_100000062251_100010147680 [0,1,1,0,0,0|2,0,0]=4 820 B16R2.19 COc1cc(cc(c1)C2=CCCCC2)F 271570a_100000062251_100011934182 [0,1,1,0,0,0|2,0,0]=4 821 B16R2.19 COc1cc(cc(c1)C2=CCCCC2)N 271570a_100000062251_100000750983 [0,1,1,0,0,0|2,0,0]=4 822 B16R2.19 COc1cc(cc(c1)C2=CCCCC2)O 271570a_100000062251_100010068927 [0,1,1,0,0,0|2,0,0]=4 823 B16R2.19 CSc1cc(cc(c1)C2=CCCCC2)C 271570a_100000062251_200010709730 [0,1,1,0,0,0|2,0,0]=4 824 B16R2.19 CSc1cc(cc(c1)C2=CCCCC2)F 271570a_100000062251_200010245467 [0,1,1,0,0,0|2,0,0]=4 825 B16R2.19 Cc1cc(cc(c1)C2=CCCCC2)CO 271570a_100000062251_100000720511 [0,1,1,0,0,0|2,0,0]=4 826 B16R2.19 NCc1cc(cc(c1)C2=CCCCC2)F 271570a_100000062251_100020611034 [0,1,1,0,0,0|2,0,0]=4 827 B16R2.19 OCc1cc(cc(c1)C2=CCCCC2)Br 271570a_100000062251_100009814756 [0,1,1,0,0,0|2,0,0]=4 828 B16R2.19 OCc1cc(cc(c1)C2=CCCCC2)F 271570a_100000062251_100000766897 [0,1,1,0,0,0|2,0,0]=4 829 B16R2.22 CCc1cccc(c1)C2=CC(=O)CCC2 271570a_100000723966_100000684523 [0,1,1,0,0,0|1,0,1]=4 830 B16R2.24 CCc1cccc(c1O)C2=CCCCC2 271570a_100000062251_200010001580 [0,1,1,0,0,0|1,0,0]=3 831 B16R2.24 CCc1cccc(c1O)C2=CCCCO2 271570a_100010177797_200010001580 [0,1,1,0,0,0|2,0,0]=4 832 B16R2.24 CCc1cccc(c1O)C2=CCNCC2 271570a_100000731432_200010001580 [0,1,1,0,0,0|2,0,0]=4 833 B16R2.24 CCc1cccc(c1O)C2=CCOCC2 271570a_100000070234_200010001580 [0,1,1,0,0,0|2,0,0]=4 834 B16R2.24 CCc1cccc(c1O)C2=CCSCC2 271570a_100010232141_200010001580 [0,1,1,0,0,0|2,0,0]=4 835 B16R2.24 CCc1cccc(c1O)C2=COCCC2 271570a_100010175576_200010001580 [0,1,1,0,0,0|2,0,0]=4 836 B16R2.24 CNc1cccc(c1N)C2=CCCCC2 271570a_100000062251_100000695761 [0,1,1,0,0,0|2,0,0]=4 837 B16R2.24 COc1cccc(c1C)C2=CCCCC2 271570a_100000062251_100010002647 [0,1,1,0,0,0|2,0,0]=4 838 B16R2.24 COc1cccc(c1Cl)C2=CCCCC2 271570a_100000062251_100010147677 [0,1,1,0,0,0|2,0,0]=4 839 B16R2.24 COc1cccc(c1F)C2=CCCCC2 271570a_100000062251_100010185846 [0,1,1,0,0,0|2,0,0]=4 840 B16R2.24 COc1cccc(c1N)C2=CCCCC2 271570a_100000062251_100000708083 [0,1,1,0,0,0|2,0,0]=4 841 B16R2.24 COc1cccc(c1O)C2=CCCCC2 271570a_100000062251_100000686866 [0,1,1,0,0,0|2,0,0]=4 842 B16R2.24 Cc1c(cccc1C2=CCCCC2)CN 271570a_100000062251_100000724210 [0,1,1,0,0,0|2,0,0]=4 843 B16R2.24 Cc1c(cccc1C2=CCCCC2)CO 271570a_100000062251_100000694458 [0,1,1,0,0,0|2,0,0]=4 844 B16R2.24 NCc1cccc(c1F)C2=CCCCC2 271570a_100000062251_100015189953 [0,1,1,0,0,0|2,0,0]=4 845 B16R2.24 Nc1c(cccc1C2=CCCCC2)CO 271570a_100000062251_100012349457 [0,1,1,0,0,0|2,0,0]=4 846 B16R2.24 OCc1cccc(c1Br)C2=CCCCC2 271570a_100000062251_100010240205 [0,1,1,0,0,0|2,0,0]=4 847 B16R2.24 OCc1cccc(c1F)C2=CCCCC2 271570a_100000062251_100011935076 [0,1,1,0,0,0|2,0,0]=4 848 B16R2.27 CCc1ccc(c(c1)C2=CCCCC2)F 271570a_100000062251_200010244628 [0,1,1,0,0,0|1,0,0]=3 849 B16R2.27 CCc1ccc(c(c1)C2=CCCCC2)N 271570a_100000062251_100012339725 [0,1,1,0,0,0|1,0,0]=3 850 B16R2.27 CCc1ccc(c(c1)C2=CCCCC2)O 271570a_100000062251_100012339963 [0,1,1,0,0,0|1,0,0]=3 851 B16R2.27 CCc1ccc(c(c1)C2=CCCCO2)F 271570a_100010177797_200010244628 [0,1,1,0,0,0|2,0,0]=4 852 B16R2.27 CCc1ccc(c(c1)C2=CCCCO2)N 271570a_100010177797_100012339725 [0,1,1,0,0,0|2,0,0]=4 853 B16R2.27 CCc1ccc(c(c1)C2=CCCCO2)O 271570a_100010177797_100012339963 [0,1,1,0,0,0|2,0,0]=4 854 B16R2.27 CCc1ccc(c(c1)C2=CCNCC2)F 271570a_100000731432_200010244628 [0,1,1,0,0,0|2,0,0]=4 855 B16R2.27 CCc1ccc(c(c1)C2=CCNCC2)N 271570a_100000731432_100012339725 [0,1,1,0,0,0|2,0,0]=4 856 B16R2.27 CCc1ccc(c(c1)C2=CCNCC2)O 271570a_100000731432_100012339963 [0,1,1,0,0,0|2,0,0]=4 857 B16R2.27 CCc1ccc(c(c1)C2=CCOCC2)F 271570a_100000070234_200010244628 [0,1,1,0,0,0|2,0,0]=4 858 B16R2.27 CCc1ccc(c(c1)C2=CCOCC2)N 271570a_100000070234_100012339725 [0,1,1,0,0,0|2,0,0]=4 859 B16R2.27 CCc1ccc(c(c1)C2=CCOCC2)O 271570a_100000070234_100012339963 [0,1,1,0,0,0|2,0,0]=4 860 B16R2.27 CCc1ccc(c(c1)C2=CCSCC2)F 271570a_100010232141_200010244628 [0,1,1,0,0,0|2,0,0]=4 861 B16R2.27 CCc1ccc(c(c1)C2=CCSCC2)N 271570a_100010232141_100012339725 [0,1,1,0,0,0|2,0,0]=4 862 B16R2.27 CCc1ccc(c(c1)C2=CCSCC2)O 271570a_100010232141_100012339963 [0,1,1,0,0,0|2,0,0]=4 863 B16R2.27 CCc1ccc(c(c1)C2=COCCC2)F 271570a_100010175576_200010244628 [0,1,1,0,0,0|2,0,0]=4 864 B16R2.27 CCc1ccc(c(c1)C2=COCCC2)N 271570a_100010175576_100012339725 [0,1,1,0,0,0|2,0,0]=4 865 B16R2.27 CCc1ccc(c(c1)C2=COCCC2)O 271570a_100010175576_100012339963 [0,1,1,0,0,0|2,0,0]=4 866 B16R2.27 CNc1ccc(c(c1)C2=CCCCC2)C 271570a_100000062251_100000707694 [0,1,1,0,0,0|2,0,0]=4 867 B16R2.27 COc1ccc(c(c1)C2=CCCCC2)Br 271570a_100000062251_100009992028 [0,1,1,0,0,0|2,0,0]=4 868 B16R2.27 COc1ccc(c(c1)C2=CCCCC2)C 271570a_100000062251_100012349166 [0,1,1,0,0,0|2,0,0]=4 869 B16R2.27 COc1ccc(c(c1)C2=CCCCC2)Cl 271570a_100000062251_100011356938 [0,1,1,0,0,0|2,0,0]=4 870 B16R2.27 COc1ccc(c(c1)C2=CCCCC2)F 271570a_100000062251_100000699733 [0,1,1,0,0,0|2,0,0]=4 871 B16R2.27 COc1ccc(c(c1)C2=CCCCC2)N 271570a_100000062251_100015195136 [0,1,1,0,0,0|2,0,0]=4 872 B16R2.27 COc1ccc(c(c1)C2=CCCCC2)O 271570a_100000062251_100000685887 [0,1,1,0,0,0|2,0,0]=4 873 B16R2.27 CSc1ccc(c(c1)C2=CCCCC2)F 271570a_100000062251_200010708804 [0,1,1,0,0,0|2,0,0]=4 874 B16R2.27 Cc1ccc(cc1C2=CCCCC2)CO 271570a_100000062251_100000050133 [0,1,1,0,0,0|2,0,0]=4 875 B16R2.27 NCc1ccc(c(c1)C2=CCCCC2)F 271570a_100000062251_100015193890 [0,1,1,0,0,0|2,0,0]=4 876 B16R2.27 OCc1ccc(c(c1)C2=CCCCC2)F 271570a_100000062251_100000246287 [0,1,1,0,0,0|2,0,0]=4 877 B16R2.27 OCc1ccc(c(c1)C2=CCCCC2)O 271570a_100000062251_100011191544 [0,1,1,0,0,0|2,0,0]=4 878 B16R2.86 C=C(C)c1cccc(c1)C2=CCCCC2 271570a_100000062251_100012123953 [0,1,1,0,0,0|1,0,1]=4 879 B16R2.86 CC(=O)c1cccc(c1)C2=CCCCC2 271570a_100000062251_100000210093 [0,1,1,0,0,0|1,0,1]=4 880 B16R2.86 CC(C)c1cc(ccn1)C2=CCCCC2 271570a_100000062251_100010237922 [0,1,1,0,0,0|2,0,0]=4 881 B16R2.86 CC(C)c1cccc(c1)C2=CCCCC2 271570a_100000062251_100011214899 [0,1,1,0,0,0|1,0,0]=3 882 B16R2.86 CC(C)c1cccc(c1)C2=CCCCO2 271570a_100010177797_100011214899 [0,1,1,0,0,0|2,0,0]=4 883 B16R2.86 CC(C)c1cccc(c1)C2=CCNCC2 271570a_100000731432_100011214899 [0,1,1,0,0,0|2,0,0]=4 884 B16R2.86 CC(C)c1cccc(c1)C2=CCOCC2 271570a_100000070234_100011214899 [0,1,1,0,0,0|2,0,0]=4 885 B16R2.86 CC(C)c1cccc(c1)C2=CCSCC2 271570a_100010232141_100011214899 [0,1,1,0,0,0|2,0,0]=4 886 B16R2.86 CC(C)c1cccc(c1)C2=COCCC2 271570a_100010175576_100011214899 [0,1,1,0,0,0|2,0,0]=4 887 B16R2.86 CC(C)c1cccc(n1)C2=CCCCC2 271570a_100000062251_100012318657 [0,1,1,0,0,0|2,0,0]=4 888 B16R2.86 CC(C)c1ccnc(c1)C2=CCCCC2 271570a_100000062251_100010237925 [0,1,1,0,0,0|2,0,0]=4 889 B16R2.86 CC(C)c1cncc(c1)C2=CCCCC2 271570a_100000062251_200010191214 [0,1,1,0,0,0|2,0,0]=4 890 B16R2.86 CC(N)c1cccc(c1)C2=CCCCC2 271570a_100000062251_100020642005 [0,1,1,0,0,0|1,0,0]=3 891 B16R2.86 CC(N)c1cccc(c1)C2=CCCCO2 271570a_100010177797_100020642005 [0,1,1,0,0,0|2,0,0]=4 892 B16R2.86 CC(N)c1cccc(c1)C2=CCNCC2 271570a_100000731432_100020642005 [0,1,1,0,0,0|2,0,0]=4 893 B16R2.86 CC(N)c1cccc(c1)C2=CCOCC2 271570a_100000070234_100020642005 [0,1,1,0,0,0|2,0,0]=4 894 B16R2.86 CC(N)c1cccc(c1)C2=CCSCC2 271570a_100010232141_100020642005 [0,1,1,0,0,0|2,0,0]=4 895 B16R2.86 CC(N)c1cccc(c1)C2=COCCC2 271570a_100010175576_100020642005 [0,1,1,0,0,0|2,0,0]=4 896 B16R2.86 CC(N)c1cccc(n1)C2=CCCCC2 271570a_100000062251_200010173468 [0,1,1,0,0,0|2,0,0]=4 897 B16R2.86 CC(O)c1cc(ccn1)C2=CCCCC2 271570a_100000062251_100000144657 [0,1,1,0,0,0|2,0,0]=4 898 B16R2.86 CC(O)c1cccc(c1)C2=CCCCC2 271570a_100000062251_100000246457 [0,1,1,0,0,0|1,0,0]=3 899 B16R2.86 CC(O)c1cccc(c1)C2=CCCCO2 271570a_100010177797_100000246457 [0,1,1,0,0,0|2,0,0]=4 900 B16R2.86 CC(O)c1cccc(c1)C2=CCNCC2 271570a_100000731432_100000246457 [0,1,1,0,0,0|2,0,0]=4 901 B16R2.86 CC(O)c1cccc(c1)C2=CCOCC2 271570a_100000070234_100000246457 [0,1,1,0,0,0|2,0,0]=4 902 B16R2.86 CC(O)c1cccc(c1)C2=CCSCC2 271570a_100010232141_100000246457 [0,1,1,0,0,0|2,0,0]=4 903 B16R2.86 CC(O)c1cccc(c1)C2=COCCC2 271570a_100010175576_100000246457 [0,1,1,0,0,0|2,0,0]=4 904 B16R2.86 CC(O)c1cccc(n1)C2=CCCCC2 271570a_100000062251_100009820884 [0,1,1,0,0,0|2,0,0]=4 905 B16R2.86 CC(O)c1cncc(c1)C2=CCCCC2 271570a_100000062251_100012351597 [0,1,1,0,0,0|2,0,0]=4 906 B16R2.86 CN(C)c1cccc(c1)C2=CCCCC2 271570a_100000062251_100011215952 [0,1,1,0,0,0|2,0,0]=4 907 B16R2.86 CS(=O)c1cccc(c1)C2=CCCCC2 271570a_100000062251_100009816267 [0,1,1,0,0,0|2,0,0]=4 908 B16R2.86 C[C@@H](N)c1cncc(c1)C2=CCCCC2 271570a_100000062251_100012350620 [0,1,1,0,0,0|2,0,0]=4 909 B16R2.86 FC(F)c1cccc(c1)C2=CCCCC2 271570a_100000062251_100009892619 [0,1,1,0,0,0|2,0,0]=4 910 B16R2.94 C=CCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100009816576 [0,1,1,0,0,0|1,0,1]=4 911 B16R2.94 CC#Cc1cccc(c1)C2=CCCCC2 271570a_100000062251_200009843338 [0,1,1,0,0,0|1,0,1]=4 912 B16R2.94 CCCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000694964 [0,1,1,0,0,0|1,0,0]=3 913 B16R2.94 CCCc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000694964 [0,1,1,0,0,0|2,0,0]=4 914 B16R2.94 CCCc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000694964 [0,1,1,0,0,0|2,0,0]=4 915 B16R2.94 CCCc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000694964 [0,1,1,0,0,0|2,0,0]=4 916 B16R2.94 CCCc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000694964 [0,1,1,0,0,0|2,0,0]=4 917 B16R2.94 CCCc1cccc(c1)C2=COCCC2 271570a_100010175576_100000694964 [0,1,1,0,0,0|2,0,0]=4 918 B16R2.94 CCNc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000738899 [0,1,1,0,0,0|1,0,0]=3 919 B16R2.94 CCNc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000738899 [0,1,1,0,0,0|2,0,0]=4 920 B16R2.94 CCNc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000738899 [0,1,1,0,0,0|2,0,0]=4 921 B16R2.94 CCNc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000738899 [0,1,1,0,0,0|2,0,0]=4 922 B16R2.94 CCNc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000738899 [0,1,1,0,0,0|2,0,0]=4 923 B16R2.94 CCNc1cccc(c1)C2=COCCC2 271570a_100010175576_100000738899 [0,1,1,0,0,0|2,0,0]=4 924 B16R2.94 CCNc1cccc(n1)C2=CCCCC2 271570a_100000062251_200020678610 [0,1,1,0,0,0|2,0,0]=4 925 B16R2.94 CCOc1cc(ccn1)C2=CCCCC2 271570a_100000062251_100009995528 [0,1,1,0,0,0|2,0,0]=4 926 B16R2.94 CCOc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000170002 [0,1,1,0,0,0|1,0,0]=3 927 B16R2.94 CCOc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000170002 [0,1,1,0,0,0|2,0,0]=4 928 B16R2.94 CCOc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000170002 [0,1,1,0,0,0|2,0,0]=4 929 B16R2.94 CCOc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000170002 [0,1,1,0,0,0|2,0,0]=4 930 B16R2.94 CCOc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000170002 [0,1,1,0,0,0|2,0,0]=4 931 B16R2.94 CCOc1cccc(c1)C2=COCCC2 271570a_100010175576_100000170002 [0,1,1,0,0,0|2,0,0]=4 932 B16R2.94 CCOc1cccc(n1)C2=CCCCC2 271570a_100000062251_100000752924 [0,1,1,0,0,0|2,0,0]=4 933 B16R2.94 CCOc1ccnc(c1)C2=CCCCC2 271570a_100000062251_100011922638 [0,1,1,0,0,0|2,0,0]=4 934 B16R2.94 CCOc1cncc(c1)C2=CCCCC2 271570a_100000062251_100012029586 [0,1,1,0,0,0|2,0,0]=4 935 B16R2.94 CCSc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000703699 [0,1,1,0,0,0|1,0,0]=3 936 B16R2.94 CCSc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000703699 [0,1,1,0,0,0|2,0,0]=4 937 B16R2.94 CCSc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000703699 [0,1,1,0,0,0|2,0,0]=4 938 B16R2.94 CCSc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000703699 [0,1,1,0,0,0|2,0,0]=4 939 B16R2.94 CCSc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000703699 [0,1,1,0,0,0|2,0,0]=4 940 B16R2.94 CCSc1cccc(c1)C2=COCCC2 271570a_100010175576_100000703699 [0,1,1,0,0,0|2,0,0]=4 941 B16R2.94 CNCc1cc(ccn1)C2=CCCCC2 271570a_100000062251_100102954512 [0,1,1,0,0,0|2,0,0]=4 942 B16R2.94 CNCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000187585 [0,1,1,0,0,0|1,0,0]=3 943 B16R2.94 CNCc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000187585 [0,1,1,0,0,0|2,0,0]=4 944 B16R2.94 CNCc1cccc(c1)C2=CCNCC2 271570a_100000731432_100000187585 [0,1,1,0,0,0|2,0,0]=4 945 B16R2.94 CNCc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000187585 [0,1,1,0,0,0|2,0,0]=4 946 B16R2.94 CNCc1cccc(c1)C2=CCSCC2 271570a_100010232141_100000187585 [0,1,1,0,0,0|2,0,0]=4 947 B16R2.94 CNCc1cccc(c1)C2=COCCC2 271570a_100010175576_100000187585 [0,1,1,0,0,0|2,0,0]=4 948 B16R2.94 CNCc1cccc(n1)C2=CCCCC2 271570a_100000062251_106354212997 [0,1,1,0,0,0|2,0,0]=4 949 B16R2.94 CNCc1cncc(c1)C2=CCCCC2 271570a_100000062251_103549770560 [0,1,1,0,0,0|2,0,0]=4 950 B16R2.94 COCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100011493687 [0,1,1,0,0,0|1,0,0]=3 951 B16R2.94 COCc1cccc(c1)C2=CCCCO2 271570a_100010177797_100011493687 [0,1,1,0,0,0|2,0,0]=4 952 B16R2.94 COCc1cccc(c1)C2=CCNCC2 271570a_100000731432_100011493687 [0,1,1,0,0,0|2,0,0]=4 953 B16R2.94 COCc1cccc(c1)C2=CCOCC2 271570a_100000070234_100011493687 [0,1,1,0,0,0|2,0,0]=4 954 B16R2.94 COCc1cccc(c1)C2=CCSCC2 271570a_100010232141_100011493687 [0,1,1,0,0,0|2,0,0]=4 955 B16R2.94 COCc1cccc(c1)C2=COCCC2 271570a_100010175576_100011493687 [0,1,1,0,0,0|2,0,0]=4 956 B16R2.94 N#CCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000034040 [0,1,1,0,0,0|1,0,1]=4 957 B16R2.94 NCCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100011207229 [0,1,1,0,0,0|1,0,0]=3 958 B16R2.94 NCCc1cccc(c1)C2=CCCCO2 271570a_100010177797_100011207229 [0,1,1,0,0,0|2,0,0]=4 959 B16R2.94 NCCc1cccc(c1)C2=CCNCC2 271570a_100000731432_100011207229 [0,1,1,0,0,0|2,0,0]=4 960 B16R2.94 NCCc1cccc(c1)C2=CCOCC2 271570a_100000070234_100011207229 [0,1,1,0,0,0|2,0,0]=4 961 B16R2.94 NCCc1cccc(c1)C2=CCSCC2 271570a_100010232141_100011207229 [0,1,1,0,0,0|2,0,0]=4 962 B16R2.94 NCCc1cccc(c1)C2=COCCC2 271570a_100010175576_100011207229 [0,1,1,0,0,0|2,0,0]=4 963 B16R2.94 NNCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000686200 [0,1,1,0,0,0|2,0,0]=4 964 B16R2.94 O=CCc1cccc(c1)C2=CCCCC2 271570a_100000062251_200000698211 [0,1,1,0,0,0|1,0,1]=4 965 B16R2.94 OCCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100011217444 [0,1,1,0,0,0|1,0,0]=3 966 B16R2.94 OCCc1cccc(c1)C2=CCCCO2 271570a_100010177797_100011217444 [0,1,1,0,0,0|2,0,0]=4 967 B16R2.94 OCCc1cccc(c1)C2=CCNCC2 271570a_100000731432_100011217444 [0,1,1,0,0,0|2,0,0]=4 968 B16R2.94 OCCc1cccc(c1)C2=CCOCC2 271570a_100000070234_100011217444 [0,1,1,0,0,0|2,0,0]=4 969 B16R2.94 OCCc1cccc(c1)C2=CCSCC2 271570a_100010232141_100011217444 [0,1,1,0,0,0|2,0,0]=4 970 B16R2.94 OCCc1cccc(c1)C2=COCCC2 271570a_100010175576_100011217444 [0,1,1,0,0,0|2,0,0]=4 971 B16R2.94 OCCc1cccc(n1)C2=CCCCC2 271570a_100000062251_100010221043 [0,1,1,0,0,0|2,0,0]=4 972 B16R2.175 CC1CC=C(CC1)c2cccc(c2)CF 271570a_100010240233_100010878472 [0,1,1,0,0,0|2,0,0]=4 973 B16R2.175 CC1CC=C(CC1)c2cccc(c2)CN 271570a_100010240233_100000106179 [0,1,1,0,0,0|2,0,0]=4 974 B16R2.175 CC1CC=C(CC1)c2cccc(c2)CO 271570a_100010240233_100000687537 [0,1,1,0,0,0|2,0,0]=4 975 B16R2.175 CCc1cc(ccn1)C2=CCC(CC2)C 271570a_100010240233_100009820011 [0,1,1,0,0,0|2,0,0]=4 976 B16R2.175 CCc1cc(ccn1)C2=CCC(CC2)O 271570a_100010254553_100009820011 [0,1,1,0,0,0|2,0,0]=4 977 B16R2.175 CCc1cccc(c1)C2=CCC(CC2)C 271570a_100010240233_100000684523 [0,1,1,0,0,0|1,0,0]=3 978 B16R2.175 CCc1cccc(c1)C2=CCC(CC2)O 271570a_100010254553_100000684523 [0,1,1,0,0,0|1,0,0]=3 979 B16R2.175 CCc1cccc(n1)C2=CCC(CC2)C 271570a_100010240233_100009856026 [0,1,1,0,0,0|2,0,0]=4 980 B16R2.175 CCc1cccc(n1)C2=CCC(CC2)O 271570a_100010254553_100009856026 [0,1,1,0,0,0|2,0,0]=4 981 B16R2.175 CCc1ccnc(c1)C2=CCC(CC2)C 271570a_100010240233_100009817561 [0,1,1,0,0,0|2,0,0]=4 982 B16R2.175 CCc1ccnc(c1)C2=CCC(CC2)O 271570a_100010254553_100009817561 [0,1,1,0,0,0|2,0,0]=4 983 B16R2.175 CCc1cncc(c1)C2=CCC(CC2)C 271570a_100010240233_200009819073 [0,1,1,0,0,0|2,0,0]=4 984 B16R2.175 CCc1cncc(c1)C2=CCC(CC2)O 271570a_100010254553_200009819073 [0,1,1,0,0,0|2,0,0]=4 985 B16R2.175 CNc1cccc(c1)C2=CCC(CC2)C 271570a_100010240233_100000219648 [0,1,1,0,0,0|2,0,0]=4 986 B16R2.175 CNc1cccc(c1)C2=CCC(CC2)O 271570a_100010254553_100000219648 [0,1,1,0,0,0|2,0,0]=4 987 B16R2.175 COc1cccc(c1)C2=CCC(CC2)C 271570a_100010240233_100000170001 [0,1,1,0,0,0|2,0,0]=4 988 B16R2.175 COc1cccc(c1)C2=CCC(CC2)O 271570a_100010254553_100000170001 [0,1,1,0,0,0|2,0,0]=4 989 B16R2.175 CSc1cccc(c1)C2=CCC(CC2)C 271570a_100010240233_100011215954 [0,1,1,0,0,0|2,0,0]=4 990 B16R2.175 CSc1cccc(c1)C2=CCC(CC2)O 271570a_100010254553_100011215954 [0,1,1,0,0,0|2,0,0]=4 991 B16R2.175 NCc1cccc(c1)C2=CCC(CC2)O 271570a_100010254553_100000106179 [0,1,1,0,0,0|2,0,0]=4 992 B16R2.175 OC1CC=C(CC1)c2cccc(c2)CF 271570a_100010254553_100010878472 [0,1,1,0,0,0|2,0,0]=4 993 B16R2.175 OCc1cccc(c1)C2=CCC(CC2)O 271570a_100010254553_100000687537 [0,1,1,0,0,0|2,0,0]=4 994 B16R2.2321 CCc1cc(ccc1Br)C2=CCCCC2 271570a_100000062251_100010244631 [0,1,1,0,0,0|1,0,0]=3 995 B16R2.2321 CCc1cc(ccc1Br)C2=CCCCO2 271570a_100010177797_100010244631 [0,1,1,0,0,0|2,0,0]=4 996 B16R2.2321 CCc1cc(ccc1Br)C2=CCNCC2 271570a_100000731432_100010244631 [0,1,1,0,0,0|2,0,0]=4 997 B16R2.2321 CCc1cc(ccc1Br)C2=CCOCC2 271570a_100000070234_100010244631 [0,1,1,0,0,0|2,0,0]=4 998 B16R2.2321 CCc1cc(ccc1Br)C2=CCSCC2 271570a_100010232141_100010244631 [0,1,1,0,0,0|2,0,0]=4 999 B16R2.2321 CCc1cc(ccc1Br)C2=COCCC2 271570a_100010175576_100010244631 [0,1,1,0,0,0|2,0,0]=4 1000 B16R2.2321 CCc1cc(ccc1F)C2=CCCCC2 271570a_100000062251_100010244625 [0,1,1,0,0,0|1,0,0]=3 1001 B16R2.2321 CCc1cc(ccc1F)C2=CCCCO2 271570a_100010177797_100010244625 [0,1,1,0,0,0|2,0,0]=4 1002 B16R2.2321 CCc1cc(ccc1F)C2=CCNCC2 271570a_100000731432_100010244625 [0,1,1,0,0,0|2,0,0]=4 1003 B16R2.2321 CCc1cc(ccc1F)C2=CCOCC2 271570a_100000070234_100010244625 [0,1,1,0,0,0|2,0,0]=4 1004 B16R2.2321 CCc1cc(ccc1F)C2=CCSCC2 271570a_100010232141_100010244625 [0,1,1,0,0,0|2,0,0]=4 1005 B16R2.2321 CCc1cc(ccc1F)C2=COCCC2 271570a_100010175576_100010244625 [0,1,1,0,0,0|2,0,0]=4 1006 B16R2.2321 CCc1cc(ccc1N)C2=CCCCC2 271570a_100000062251_100000686106 [0,1,1,0,0,0|1,0,0]=3 1007 B16R2.2321 CCc1cc(ccc1N)C2=CCCCO2 271570a_100010177797_100000686106 [0,1,1,0,0,0|2,0,0]=4 1008 B16R2.2321 CCc1cc(ccc1N)C2=CCNCC2 271570a_100000731432_100000686106 [0,1,1,0,0,0|2,0,0]=4 1009 B16R2.2321 CCc1cc(ccc1N)C2=CCOCC2 271570a_100000070234_100000686106 [0,1,1,0,0,0|2,0,0]=4 1010 B16R2.2321 CCc1cc(ccc1N)C2=CCSCC2 271570a_100010232141_100000686106 [0,1,1,0,0,0|2,0,0]=4 1011 B16R2.2321 CCc1cc(ccc1N)C2=COCCC2 271570a_100010175576_100000686106 [0,1,1,0,0,0|2,0,0]=4 1012 B16R2.2321 CCc1cc(ccc1O)C2=CCCCC2 271570a_100000062251_100012338938 [0,1,1,0,0,0|1,0,0]=3 1013 B16R2.2321 CCc1cc(ccc1O)C2=CCCCO2 271570a_100010177797_100012338938 [0,1,1,0,0,0|2,0,0]=4 1014 B16R2.2321 CCc1cc(ccc1O)C2=CCNCC2 271570a_100000731432_100012338938 [0,1,1,0,0,0|2,0,0]=4 1015 B16R2.2321 CCc1cc(ccc1O)C2=CCOCC2 271570a_100000070234_100012338938 [0,1,1,0,0,0|2,0,0]=4 1016 B16R2.2321 CCc1cc(ccc1O)C2=CCSCC2 271570a_100010232141_100012338938 [0,1,1,0,0,0|2,0,0]=4 1017 B16R2.2321 CCc1cc(ccc1O)C2=COCCC2 271570a_100010175576_100012338938 [0,1,1,0,0,0|2,0,0]=4 1018 B16R2.2321 CCc1nc(ccc1N)C2=CCCCC2 271570a_100000062251_100009871203 [0,1,1,0,0,0|2,0,0]=4 1019 B16R2.2321 CCn1cc(ccc1=O)C2=CCCCC2 271570a_100000062251_100000231005 [0,1,1,0,0,0|2,0,0]=4 1020 B16R2.2321 CNc1cc(ccc1C)C2=CCCCC2 271570a_100000062251_100020629602 [0,1,1,0,0,0|2,0,0]=4 1021 B16R2.2321 CNc1cc(ccc1F)C2=CCCCC2 271570a_100000062251_100011314990 [0,1,1,0,0,0|2,0,0]=4 1022 B16R2.2321 CNc1cc(ccc1N)C2=CCCCC2 271570a_100000062251_100000694363 [0,1,1,0,0,0|2,0,0]=4 1023 B16R2.2321 COc1cc(ccc1Br)C2=CCCCC2 271570a_100000062251_100012353699 [0,1,1,0,0,0|2,0,0]=4 1024 B16R2.2321 COc1cc(ccc1C)C2=CCCCC2 271570a_100000062251_100011830276 [0,1,1,0,0,0|2,0,0]=4 1025 B16R2.2321 COc1cc(ccc1Cl)C2=CCCCC2 271570a_100000062251_100011356853 [0,1,1,0,0,0|2,0,0]=4 1026 B16R2.2321 COc1cc(ccc1F)C2=CCCCC2 271570a_100000062251_100011934186 [0,1,1,0,0,0|2,0,0]=4 1027 B16R2.2321 COc1cc(ccc1N)C2=CCCCC2 271570a_100000062251_100011279103 [0,1,1,0,0,0|2,0,0]=4 1028 B16R2.2321 COc1cc(ccc1O)C2=CCCCC2 271570a_100000062251_100000694246 [0,1,1,0,0,0|2,0,0]=4 1029 B16R2.2321 CSc1cc(ccc1F)C2=CCCCC2 271570a_100000062251_100010341305 [0,1,1,0,0,0|2,0,0]=4 1030 B16R2.2321 Cc1ccc(cc1CO)C2=CCCCC2 271570a_100000062251_100000700630 [0,1,1,0,0,0|2,0,0]=4 1031 B16R2.2321 NCc1cc(ccc1F)C2=CCCCC2 271570a_100000062251_100009815772 [0,1,1,0,0,0|2,0,0]=4 1032 B16R2.2321 NCc1cc(ccc1N)C2=CCCCC2 271570a_100000062251_100012349119 [0,1,1,0,0,0|2,0,0]=4 1033 B16R2.2321 NCc1cc(ccc1O)C2=CCCCC2 271570a_100000062251_100000730032 [0,1,1,0,0,0|2,0,0]=4 1034 B16R2.2321 Nc1ccc(cc1CO)C2=CCCCC2 271570a_100000062251_100012353972 [0,1,1,0,0,0|2,0,0]=4 1035 B16R2.2321 OCc1cc(ccc1Br)C2=CCCCC2 271570a_100000062251_100012359683 [0,1,1,0,0,0|2,0,0]=4 1036 B16R2.2321 OCc1cc(ccc1Cl)C2=CCCCC2 271570a_100000062251_100010128486 [0,1,1,0,0,0|2,0,0]=4 1037 B16R2.2321 OCc1cc(ccc1F)C2=CCCCC2 271570a_100000062251_100000049604 [0,1,1,0,0,0|2,0,0]=4 1038 B16R2.2321 OCc1cc(ccc1O)C2=CCCCC2 271570a_100000062251_100000184703 [0,1,1,0,0,0|2,0,0]=4 1039 B16R2.309 Cc1cc(c(=O)[nH]c1C)C2=CCCCC2 271570a_100000062251_100010064231 [0,1,1,0,0,0|2,0,0]=4 1040 B16R2.309 Cc1cc(c(cc1Br)C)C2=CCCCC2 271570a_100000062251_100011356911 [0,1,1,0,0,0|2,0,0]=4 1041 B16R2.309 Cc1cc(c(cc1Br)C2=CCCCC2)Br 271570a_100000062251_100012929169 [0,1,1,0,0,0|2,0,0]=4 1042 B16R2.309 Cc1cc(c(cc1Br)C2=CCCCC2)F 271570a_100000062251_100011068846 [0,1,1,0,0,0|2,0,0]=4 1043 B16R2.309 Cc1cc(c(cc1Br)Cl)C2=CCCCC2 271570a_100000062251_100010259621 [0,1,1,0,0,0|2,0,0]=4 1044 B16R2.309 Cc1cc(c(cc1Br)F)C2=CCCCC2 271570a_100000062251_200009814772 [0,1,1,0,0,0|2,0,0]=4 1045 B16R2.309 Cc1cc(c(cc1Br)N)C2=CCCCC2 271570a_100000062251_200015600912 [0,1,1,0,0,0|2,0,0]=4 1046 B16R2.309 Cc1cc(c(cc1C)C2=CCCCC2)C 271570a_100000062251_100000759388 [0,1,1,0,0,0|1,0,0]=3 1047 B16R2.309 Cc1cc(c(cc1C)C2=CCCCC2)F 271570a_100000062251_100010197417 [0,1,1,0,0,0|1,0,0]=3 1048 B16R2.309 Cc1cc(c(cc1C)C2=CCCCC2)N 271570a_100000062251_100012337760 [0,1,1,0,0,0|1,0,0]=3 1049 B16R2.309 Cc1cc(c(cc1C)C2=CCCCC2)O 271570a_100000062251_100009814663 [0,1,1,0,0,0|1,0,0]=3 1050 B16R2.309 Cc1cc(c(cc1C)C2=CCCCO2)C 271570a_100010177797_100000759388 [0,1,1,0,0,0|2,0,0]=4 1051 B16R2.309 Cc1cc(c(cc1C)C2=CCCCO2)F 271570a_100010177797_100010197417 [0,1,1,0,0,0|2,0,0]=4 1052 B16R2.309 Cc1cc(c(cc1C)C2=CCCCO2)N 271570a_100010177797_100012337760 [0,1,1,0,0,0|2,0,0]=4 1053 B16R2.309 Cc1cc(c(cc1C)C2=CCCCO2)O 271570a_100010177797_100009814663 [0,1,1,0,0,0|2,0,0]=4 1054 B16R2.309 Cc1cc(c(cc1C)C2=CCNCC2)C 271570a_100000731432_100000759388 [0,1,1,0,0,0|2,0,0]=4 1055 B16R2.309 Cc1cc(c(cc1C)C2=CCNCC2)F 271570a_100000731432_100010197417 [0,1,1,0,0,0|2,0,0]=4 1056 B16R2.309 Cc1cc(c(cc1C)C2=CCNCC2)N 271570a_100000731432_100012337760 [0,1,1,0,0,0|2,0,0]=4 1057 B16R2.309 Cc1cc(c(cc1C)C2=CCNCC2)O 271570a_100000731432_100009814663 [0,1,1,0,0,0|2,0,0]=4 1058 B16R2.309 Cc1cc(c(cc1C)C2=CCOCC2)C 271570a_100000070234_100000759388 [0,1,1,0,0,0|2,0,0]=4 1059 B16R2.309 Cc1cc(c(cc1C)C2=CCOCC2)F 271570a_100000070234_100010197417 [0,1,1,0,0,0|2,0,0]=4 1060 B16R2.309 Cc1cc(c(cc1C)C2=CCOCC2)N 271570a_100000070234_100012337760 [0,1,1,0,0,0|2,0,0]=4 1061 B16R2.309 Cc1cc(c(cc1C)C2=CCOCC2)O 271570a_100000070234_100009814663 [0,1,1,0,0,0|2,0,0]=4 1062 B16R2.309 Cc1cc(c(cc1C)C2=CCSCC2)C 271570a_100010232141_100000759388 [0,1,1,0,0,0|2,0,0]=4 1063 B16R2.309 Cc1cc(c(cc1C)C2=CCSCC2)F 271570a_100010232141_100010197417 [0,1,1,0,0,0|2,0,0]=4 1064 B16R2.309 Cc1cc(c(cc1C)C2=CCSCC2)N 271570a_100010232141_100012337760 [0,1,1,0,0,0|2,0,0]=4 1065 B16R2.309 Cc1cc(c(cc1C)C2=CCSCC2)O 271570a_100010232141_100009814663 [0,1,1,0,0,0|2,0,0]=4 1066 B16R2.309 Cc1cc(c(cc1C)C2=COCCC2)C 271570a_100010175576_100000759388 [0,1,1,0,0,0|2,0,0]=4 1067 B16R2.309 Cc1cc(c(cc1C)C2=COCCC2)F 271570a_100010175576_100010197417 [0,1,1,0,0,0|2,0,0]=4 1068 B16R2.309 Cc1cc(c(cc1C)C2=COCCC2)N 271570a_100010175576_100012337760 [0,1,1,0,0,0|2,0,0]=4 1069 B16R2.309 Cc1cc(c(cc1C)C2=COCCC2)O 271570a_100010175576_100009814663 [0,1,1,0,0,0|2,0,0]=4 1070 B16R2.309 Cc1cc(c(cc1Cl)C)C2=CCCCC2 271570a_100000062251_100012357408 [0,1,1,0,0,0|2,0,0]=4 1071 B16R2.309 Cc1cc(c(cc1F)Br)C2=CCCCC2 271570a_100000062251_200009814773 [0,1,1,0,0,0|2,0,0]=4 1072 B16R2.309 Cc1cc(c(cc1F)C)C2=CCCCC2 271570a_100000062251_100010212296 [0,1,1,0,0,0|2,0,0]=4 1073 B16R2.309 Cc1cc(c(cc1F)C2=CCCCC2)Br 271570a_100000062251_200009814774 [0,1,1,0,0,0|2,0,0]=4 1074 B16R2.309 Cc1cc(c(cc1F)C2=CCCCC2)F 271570a_100000062251_100011219510 [0,1,1,0,0,0|2,0,0]=4 1075 B16R2.309 Cc1cc(c(cc1F)C2=CCCCC2)N 271570a_100000062251_100010233353 [0,1,1,0,0,0|2,0,0]=4 1076 B16R2.309 Cc1cc(c(cc1F)F)C2=CCCCC2 271570a_100000062251_100000692463 [0,1,1,0,0,0|2,0,0]=4 1077 B16R2.309 Cc1cc(c(cc1F)N)C2=CCCCC2 271570a_100000062251_100011218008 [0,1,1,0,0,0|2,0,0]=4 1078 B16R2.309 Cc1cc(c(cc1N)C)C2=CCCCC2 271570a_100000062251_100011934712 [0,1,1,0,0,0|2,0,0]=4 1079 B16R2.309 Cc1cc(c(cc1N)C2=CCCCC2)C 271570a_100000062251_100000703630 [0,1,1,0,0,0|2,0,0]=4 1080 B16R2.309 Cc1cc(c(cc1N)C2=CCCCC2)F 271570a_100000062251_100000717900 [0,1,1,0,0,0|2,0,0]=4 1081 B16R2.309 Cc1cc(c(cc1N)F)C2=CCCCC2 271570a_100000062251_100000695870 [0,1,1,0,0,0|2,0,0]=4 1082 B16R2.309 Cc1cc(c(cc1N)N)C2=CCCCC2 271570a_100000062251_200013038441 [0,1,1,0,0,0|2,0,0]=4 1083 B16R2.309 Cc1cc(c(cc1O)C)C2=CCCCC2 271570a_100000062251_100000698207 [0,1,1,0,0,0|2,0,0]=4 1084 B16R2.309 Cc1cc(c(cc1O)C2=CCCCC2)F 271570a_100000062251_100014242602 [0,1,1,0,0,0|2,0,0]=4 1085 B16R2.309 Cc1cc(c(nc1C)N)C2=CCCCC2 271570a_100000062251_100009990238 [0,1,1,0,0,0|2,0,0]=4 1086 B16R2.311 Cc1c(ccc(c1C)C2=CCCCC2)Br 271570a_100000062251_200010185626 [0,1,1,0,0,0|2,0,0]=4 1087 B16R2.311 Cc1c(ccc(c1C)C2=CCCCC2)F 271570a_100000062251_100009816033 [0,1,1,0,0,0|2,0,0]=4 1088 B16R2.311 Cc1c(ccc(c1C)C2=CCCCC2)N 271570a_100000062251_100009816967 [0,1,1,0,0,0|2,0,0]=4 1089 B16R2.311 Cc1c(ccc(c1C)C2=CCCCC2)O 271570a_100000062251_100012353674 [0,1,1,0,0,0|2,0,0]=4 1090 B16R2.311 Cc1c(ccc(c1Cl)C2=CCCCC2)Br 271570a_100000062251_100055076181 [0,1,1,0,0,0|2,0,0]=4 1091 B16R2.311 Cc1c(ccc(c1Cl)C2=CCCCC2)Cl 271570a_100000062251_100010730154 [0,1,1,0,0,0|2,0,0]=4 1092 B16R2.311 Cc1c(ccc(c1F)C2=CCCCC2)F 271570a_100000062251_100009815987 [0,1,1,0,0,0|2,0,0]=4 1093 B16R2.311 Cc1c(ccc(c1F)C2=CCCCC2)N 271570a_100000062251_100010208198 [0,1,1,0,0,0|2,0,0]=4 1094 B16R2.311 Cc1c(ccc(c1F)C2=CCCCC2)O 271570a_100000062251_100010390934 [0,1,1,0,0,0|2,0,0]=4 1095 B16R2.311 Cc1c(ccc(c1N)C2=CCCCC2)F 271570a_100000062251_100011009917 [0,1,1,0,0,0|2,0,0]=4 1096 B16R2.311 Cc1c(ccc(c1O)C2=CCCCC2)F 271570a_100000062251_200010391124 [0,1,1,0,0,0|2,0,0]=4 1097 B16R2.311 Cc1ccc(c(c1C)F)C2=CCCCC2 271570a_100000062251_200015555822 [0,1,1,0,0,0|1,0,0]=3 1098 B16R2.311 Cc1ccc(c(c1C)F)C2=CCCCO2 271570a_100010177797_200015555822 [0,1,1,0,0,0|2,0,0]=4 1099 B16R2.311 Cc1ccc(c(c1C)F)C2=CCNCC2 271570a_100000731432_200015555822 [0,1,1,0,0,0|2,0,0]=4 1100 B16R2.311 Cc1ccc(c(c1C)F)C2=CCOCC2 271570a_100000070234_200015555822 [0,1,1,0,0,0|2,0,0]=4 1101 B16R2.311 Cc1ccc(c(c1C)F)C2=CCSCC2 271570a_100010232141_200015555822 [0,1,1,0,0,0|2,0,0]=4 1102 B16R2.311 Cc1ccc(c(c1C)F)C2=COCCC2 271570a_100010175576_200015555822 [0,1,1,0,0,0|2,0,0]=4 1103 B16R2.311 Cc1ccc(c(c1F)F)C2=CCCCC2 271570a_100000062251_100012766498 [0,1,1,0,0,0|2,0,0]=4 1104 B16R2.311 Cc1ccc(c(c1F)O)C2=CCCCC2 271570a_100000062251_100000722096 [0,1,1,0,0,0|2,0,0]=4 1105 B16R2.311 Cc1ccc(c(c1N)C)C2=CCCCC2 271570a_100000062251_200010074581 [0,1,1,0,0,0|2,0,0]=4 1106 B16R2.2864 Cc1cc(ccc1Br)C2=CCC(CC2)C 271570a_100010240233_100009813585 [0,1,1,0,0,0|2,0,0]=4 1107 B16R2.2864 Cc1cc(ccc1Br)C2=CCC(CC2)O 271570a_100010254553_100009813585 [0,1,1,0,0,0|2,0,0]=4 1108 B16R2.2864 Cc1cc(ccc1Cl)C2=CCC(CC2)C 271570a_100010240233_100000049509 [0,1,1,0,0,0|2,0,0]=4 1109 B16R2.2864 Cc1cc(ccc1Cl)C2=CCC(CC2)O 271570a_100010254553_100000049509 [0,1,1,0,0,0|2,0,0]=4 1110 B16R2.2864 Cc1cc(ccc1F)C2=CCC(CC2)C 271570a_100010240233_100011218330 [0,1,1,0,0,0|2,0,0]=4 1111 B16R2.2864 Cc1cc(ccc1F)C2=CCC(CC2)O 271570a_100010254553_100011218330 [0,1,1,0,0,0|2,0,0]=4 1112 B16R2.2864 Cc1cc(ccc1N)C2=CCC(CC2)C 271570a_100010240233_100000211769 [0,1,1,0,0,0|2,0,0]=4 1113 B16R2.2864 Cc1cc(ccc1N)C2=CCC(CC2)O 271570a_100010254553_100000211769 [0,1,1,0,0,0|2,0,0]=4 1114 B16R2.2864 Cc1cc(ccc1O)C2=CCC(CC2)C 271570a_100010240233_100000186361 [0,1,1,0,0,0|2,0,0]=4 1115 B16R2.2864 Cc1cc(ccc1O)C2=CCC(CC2)O 271570a_100010254553_100000186361 [0,1,1,0,0,0|2,0,0]=4 1116 B16R2.2864 Cc1cc(cnc1C)C2=CCC(CC2)C 271570a_100010240233_100000697892 [0,1,1,0,0,0|2,0,0]=4 1117 B16R2.2864 Cc1cc(cnc1C)C2=CCC(CC2)O 271570a_100010254553_100000697892 [0,1,1,0,0,0|2,0,0]=4 1118 B16R2.2864 Cc1ccc(cc1Br)C2=CCC(CC2)C 271570a_100010240233_100011847877 [0,1,1,0,0,0|2,0,0]=4 1119 B16R2.2864 Cc1ccc(cc1Br)C2=CCC(CC2)O 271570a_100010254553_100011847877 [0,1,1,0,0,0|2,0,0]=4 1120 B16R2.2864 Cc1ccc(cc1C)C2=CCC(CC2)C 271570a_100010240233_100011215607 [0,1,1,0,0,0|1,0,0]=3 1121 B16R2.2864 Cc1ccc(cc1C)C2=CCC(CC2)O 271570a_100010254553_100011215607 [0,1,1,0,0,0|1,0,0]=3 1122 B16R2.2864 Cc1ccc(cc1Cl)C2=CCC(CC2)C 271570a_100010240233_100011216363 [0,1,1,0,0,0|2,0,0]=4 1123 B16R2.2864 Cc1ccc(cc1Cl)C2=CCC(CC2)O 271570a_100010254553_100011216363 [0,1,1,0,0,0|2,0,0]=4 1124 B16R2.2864 Cc1ccc(cc1F)C2=CCC(CC2)C 271570a_100010240233_100000720648 [0,1,1,0,0,0|2,0,0]=4 1125 B16R2.2864 Cc1ccc(cc1F)C2=CCC(CC2)O 271570a_100010254553_100000720648 [0,1,1,0,0,0|2,0,0]=4 1126 B16R2.2864 Cc1ccc(cc1N)C2=CCC(CC2)C 271570a_100010240233_100000761890 [0,1,1,0,0,0|2,0,0]=4 1127 B16R2.2864 Cc1ccc(cc1N)C2=CCC(CC2)O 271570a_100010254553_100000761890 [0,1,1,0,0,0|2,0,0]=4 1128 B16R2.2864 Cc1ccc(cc1O)C2=CCC(CC2)C 271570a_100010240233_100000766334 [0,1,1,0,0,0|2,0,0]=4 1129 B16R2.2864 Cc1ccc(cc1O)C2=CCC(CC2)O 271570a_100010254553_100000766334 [0,1,1,0,0,0|2,0,0]=4 1130 B16R2.2864 Cc1ccc(nc1C)C2=CCC(CC2)C 271570a_100010240233_100000103781 [0,1,1,0,0,0|2,0,0]=4 1131 B16R2.2864 Cc1ccc(nc1C)C2=CCC(CC2)O 271570a_100010254553_100000103781 [0,1,1,0,0,0|2,0,0]=4 1132 B16R2.2864 Cc1cnc(cc1C)C2=CCC(CC2)C 271570a_100010240233_100009850809 [0,1,1,0,0,0|2,0,0]=4 1133 B16R2.2864 Cc1cnc(cc1C)C2=CCC(CC2)O 271570a_100010254553_100009850809 [0,1,1,0,0,0|2,0,0]=4 1134 B16R2.2917 Cc1ccc(cc1C)C2=CC(=O)CCC2 271570a_100000723966_100011215607 [0,1,1,0,0,0|1,0,1]=4 1135 B16R2.22304 Cc1c(cc(cc1Br)C2=CCCCC2)Br 271570a_100000062251_100011099977 [0,1,1,0,0,0|2,0,0]=4 1136 B16R2.22304 Cc1c(cc(cc1F)C2=CCCCC2)F 271570a_100000062251_100009814309 [0,1,1,0,0,0|2,0,0]=4 1137 B16R2.22304 Cc1c(cc(cc1F)C2=CCCCC2)N 271570a_100000062251_100009813729 [0,1,1,0,0,0|2,0,0]=4 1138 B16R2.22304 Cc1cc(cc(c1C)C)C2=CCCCC2 271570a_100000062251_200011015895 [0,1,1,0,0,0|1,0,0]=3 1139 B16R2.22304 Cc1cc(cc(c1C)C)C2=CCCCO2 271570a_100010177797_200011015895 [0,1,1,0,0,0|2,0,0]=4 1140 B16R2.22304 Cc1cc(cc(c1C)C)C2=CCNCC2 271570a_100000731432_200011015895 [0,1,1,0,0,0|2,0,0]=4 1141 B16R2.22304 Cc1cc(cc(c1C)C)C2=CCOCC2 271570a_100000070234_200011015895 [0,1,1,0,0,0|2,0,0]=4 1142 B16R2.22304 Cc1cc(cc(c1C)C)C2=CCSCC2 271570a_100010232141_200011015895 [0,1,1,0,0,0|2,0,0]=4 1143 B16R2.22304 Cc1cc(cc(c1C)C)C2=COCCC2 271570a_100010175576_200011015895 [0,1,1,0,0,0|2,0,0]=4 1144 B16R2.22304 Cc1cc(cc(c1F)C)C2=CCCCC2 271570a_100000062251_100009814169 [0,1,1,0,0,0|2,0,0]=4 1145 B16R2.22304 Cc1cc(cc(c1F)F)C2=CCCCC2 271570a_100000062251_200011068660 [0,1,1,0,0,0|2,0,0]=4 1146 B16R2.22304 Cc1cc(cc(c1F)N)C2=CCCCC2 271570a_100000062251_100010381932 [0,1,1,0,0,0|2,0,0]=4 1147 B16R2.22304 Cc1cc(cc(c1N)C)C2=CCCCC2 271570a_100000062251_100000737279 [0,1,1,0,0,0|2,0,0]=4 1148 B16R2.22304 Cc1cc(cc(c1N)F)C2=CCCCC2 271570a_100000062251_100000709789 [0,1,1,0,0,0|2,0,0]=4 1149 B16R2.22304 Cc1cc(cc(c1N)N)C2=CCCCC2 271570a_100000062251_100000688557 [0,1,1,0,0,0|2,0,0]=4 1150 B16R2.22304 Cc1cc(cc(c1N)O)C2=CCCCC2 271570a_100000062251_100010371313 [0,1,1,0,0,0|2,0,0]=4 1151 B16R2.22304 Cc1cc(cc(c1O)Br)C2=CCCCC2 271570a_100000062251_100010982682 [0,1,1,0,0,0|2,0,0]=4 1152 B16R2.22304 Cc1cc(cc(c1O)C)C2=CCCCC2 271570a_100000062251_100000187306 [0,1,1,0,0,0|2,0,0]=4 1153 B16R2.22304 Cc1cc(cc(c1O)Cl)C2=CCCCC2 271570a_100000062251_200015900153 [0,1,1,0,0,0|2,0,0]=4 1154 B16R2.22304 Cc1cc(cc(c1O)N)C2=CCCCC2 271570a_100000062251_100011825904 [0,1,1,0,0,0|2,0,0]=4 1155 B16R2.5668 CC/C=C\CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100103147603 [0,1,1,0,0,0|2,0,0]=4 1156 B16R2.5668 CCC#CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100009813939 [0,1,1,0,0,0|2,0,0]=4 1157 B16R2.5668 CCCCCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210326 [0,1,1,0,0,0|2,0,0]=4 1158 B16R2.5668 CCCCNC(=O)c1ccc2c(c1)CC2 11a_100000102301_100000137882 [0,1,1,0,0,0|2,0,0]=4 1159 B16R2.5668 CCCCNC(=O)c1ccc2c(c1)CC2 1626a_100000102301_100000137882 [0,1,1,0,0,0|2,0,0]=4 1160 B16R2.5668 CCCCNC(=O)c1ccc2c(c1)CC2 240690a_100000102301_100000137882 [0,1,1,0,0,0|2,0,0]=4 1161 B16R2.5668 CCCCNC(=O)c1ccc2c(c1)CC2 527a_100000102301_100000137882 [0,1,1,0,0,0|2,0,0]=4 1162 B16R2.5668 CCCNNC(=O)c1ccc2c(c1)CC2 22a_100000740057_100000137882 [0,1,1,0,0,0|2,0,0]=4 1163 B16R2.5668 CCOCCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100011215890 [0,1,1,0,0,0|2,0,0]=4 1164 B16R2.5668 CCSCCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000757381 [0,1,1,0,0,0|2,0,0]=4 1165 B16R2.5668 COCCCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000740836 [0,1,1,0,0,0|2,0,0]=4 1166 B16R2.5668 O=C(CCCCF)c1ccc2c(c1)CC2 1458a_100000137882_100000729493 [0,1,1,0,0,0|2,0,0]=4 1167 B16R2.5668 O=C(CCCCO)c1ccc2c(c1)CC2 1458a_100000137882_100000210776 [0,1,1,0,0,0|2,0,0]=4 1168 B16R2.5668 O=C(NNCCO)c1ccc2c(c1)CC2 22a_100000210001_100000137882 [0,1,1,0,0,0|2,0,0]=4 1169 B16R2.29356 CCC(=O)CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000747405 [0,1,1,0,0,0|2,0,0]=4 1170 B16R2.29356 CCC(C)CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000748023 [0,1,1,0,0,0|2,0,0]=4 1171 B16R2.29356 CCC(O)CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100011218378 [0,1,1,0,0,0|2,0,0]=4 1172 B16R2.29356 CC[C@H](C)CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100009816398 [0,1,1,0,0,0|2,0,0]=4 1173 B16R2.52284 CC(C)CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210312 [0,1,1,0,0,0|2,0,0]=4 1174 B16R2.52284 CC(C)NNC(=O)c1ccc2c(c1)CC2 22a_100000741168_100000137882 [0,1,1,0,0,0|2,0,0]=4 1175 B16R2.52284 CC(O)CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100012276601 [0,1,1,0,0,0|2,0,0]=4 1176 B16R2.52397 CCCC(C)C(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000766640 [0,1,1,0,0,0|2,0,0]=4 1177 B16R2.4238 C=CCCCCSc1ccc2c(c1)CC2 62a_100009818592_100011215482 [0,1,1,0,0,0|2,0,0]=4 1178 B16R2.4238 C=CCCCCSc1ccc2c(c1)CC2 62a_100011215482_100009818592 [0,1,1,0,0,0|2,0,0]=4 1179 B16R2.4238 CCCCCC=Cc1ccc2c(c1)CC2 271570a_100000062253_100009818592 [0,1,1,0,0,0|1,0,0]=3 1180 B16R2.4238 CCCCNN=Cc1ccc2c(c1)CC2 4a_100025702795_100010273998 [0,1,1,0,0,0|1,0,1]=4 1181 B16R2.4238 N#CCCNN=Cc1ccc2c(c1)CC2 4a_100000229987_100010273998 [0,1,1,0,0,0|1,0,1]=4 1182 B16R2.4238 O=CCCCCSc1ccc2c(c1)CC2 62a_100000139335_100009818592 [0,1,1,0,0,0|2,0,0]=4 1183 B16R2.4238 O=CCCCCSc1ccc2c(c1)CC2 62a_100009818592_100000139335 [0,1,1,0,0,0|2,0,0]=4 1184 B16R2.4754 CCCCC(=Cc1ccc2c(c1)CC2)Br 271570a_206741709834_100009818592 [0,1,1,0,0,0|1,0,0]=3 1185 B16R2.27248 CC(=O)OCC=Cc1ccc2c(c1)CC2 271570a_200000047263_100009818592 [0,1,1,0,0,0|2,0,0]=4 1186 B16R2.27248 CC(O)CNN=Cc1ccc2c(c1)CC2 4a_200000730056_100010273998 [0,1,1,0,0,0|1,0,1]=4 1187 B16R2.27248 CN(C)CCCSc1ccc2c(c1)CC2 62a_100009818592_100000757444 [0,1,1,0,0,0|1,0,1]=4 1188 B16R2.27248 CN(C)CCNCc1ccc2c(c1)CC2 207a_100000210585_100010273998 [0,1,1,0,0,0|1,0,1]=4 1189 B16R2.27248 CN(C)CCNCc1ccc2c(c1)CC2 270004a_100000210585_100010273998 [0,1,1,0,0,0|1,0,1]=4 1190 B16R2.27248 CN(C)CCOCc1ccc2c(c1)CC2 7a_100010733339_100000755713 [0,1,1,0,0,0|1,0,1]=4 1191 B16R2.35314 CCC(C)NN=Cc1ccc2c(c1)CC2 4a_100000718999_100010273998 [0,1,1,0,0,0|1,0,1]=4 1192 B16R3.2035 Brc1cc([nH]n1)c2ccc3c(c2)CC3 271570a_100160486115_100160470719 [0,1,0,0,1,0|1,0,1]=4 1193 B16R3.2035 Cc1cc(n[nH]1)c2ccc3c(c2)CC3 271570a_100009872134_100009818592 [0,1,0,0,1,0|1,0,1]=4 1194 B16R3.2035 Cc1cc(n[nH]1)c2ccc3c(c2)CC3 271570a_100160486115_100015199547 [0,1,0,0,1,0|1,0,1]=4 1195 B16R3.2035 Cn1cc(cn1)c2ccc3c(c2)CC3 271570a_100000685319_100009818592 [0,1,0,0,1,0|1,0,1]=4 1196 B16R3.2035 Cn1cc(cn1)c2ccc3c(c2)CC3 271570a_100160486115_100000748075 [0,1,0,0,1,0|1,0,1]=4 1197 B16R3.2035 Cn1ccc(c1)c2ccc3c(c2)CC3 271570a_100010172022_100009818592 [0,1,0,0,1,0|0,0,2]=4 1198 B16R3.2035 Cn1ccc(n1)c2ccc3c(c2)CC3 271570a_100012348833_100009818592 [0,1,0,0,1,0|1,0,1]=4 1199 B16R3.2035 Cn1ccc(n1)c2ccc3c(c2)CC3 271570a_100160486115_100000752436 [0,1,0,0,1,0|1,0,1]=4 1200 B16R3.2035 Cn1ncc(n1)c2ccc3c(c2)CC3 271570a_100160486115_100000733932 [0,1,0,0,1,0|2,0,0]=4 1201 B16R3.2035 Nc1cc(n[nH]1)c2ccc3c(c2)CC3 271570a_100160486115_100009822546 [0,1,0,0,1,0|1,0,1]=4 1202 B16R3.2035 O=C1C=C(CC1)c2ccc3c(c2)CC3 271570a_100010737933_100009818592 [0,1,0,0,1,0|0,0,1]=3 1203 B16R3.2383 Brc1c[nH]nc1c2ccc3c(c2)CC3 271570a_100160486115_100015839836 [0,1,0,0,1,0|1,0,1]=4 1204 B16R3.2383 Brc1n[nH]cc1c2ccc3c(c2)CC3 271570a_100160486115_100011012988 [0,1,0,0,1,0|1,0,1]=4 1205 B16R3.2383 Cc1c[nH]nc1c2ccc3c(c2)CC3 271570a_100102527747_100009818592 [0,1,0,0,1,0|1,0,1]=4 1206 B16R3.2383 Cc1c[nH]nc1c2ccc3c(c2)CC3 271570a_100160486115_100009871783 [0,1,0,0,1,0|1,0,1]=4 1207 B16R3.2383 Cc1n[nH]cc1c2ccc3c(c2)CC3 271570a_100000069033_100009818592 [0,1,0,0,1,0|1,0,1]=4 1208 B16R3.2383 Cc1n[nH]cc1c2ccc3c(c2)CC3 271570a_100160486115_100011912673 [0,1,0,0,1,0|1,0,1]=4 1209 B16R3.2383 Clc1nc[nH]c1c2ccc3c(c2)CC3 271570a_100160486115_100010200774 [0,1,0,0,1,0|1,0,1]=4 1210 B16R3.2383 Cn1cccc1c2ccc3c(c2)CC3 271570a_100000068268_100009818592 [0,1,0,0,1,0|0,0,2]=4 1211 B16R3.2383 Cn1cncc1c2ccc3c(c2)CC3 271570a_100009892668_100009818592 [0,1,0,0,1,0|1,0,1]=4 1212 B16R3.2383 Cn1cncc1c2ccc3c(c2)CC3 271570a_100160486115_100009814087 [0,1,0,0,1,0|1,0,1]=4 1213 B16R3.2383 Cn1nccc1c2ccc3c(c2)CC3 271570a_100000707534_100009818592 [0,1,0,0,1,0|1,0,1]=4 1214 B16R3.2383 Cn1nccc1c2ccc3c(c2)CC3 271570a_100160486115_100000688441 [0,1,0,0,1,0|1,0,1]=4 1215 B16R3.2383 Fc1n[nH]cc1c2ccc3c(c2)CC3 271570a_100160486115_100015597042 [0,1,0,0,1,0|1,0,1]=4 1216 B16R3.2383 Nc1c[nH]nc1c2ccc3c(c2)CC3 271570a_100160486115_100010894806 [0,1,0,0,1,0|1,0,1]=4 1217 B16R3.2383 Nc1n[nH]cc1c2ccc3c(c2)CC3 271570a_100160486115_100000717100 [0,1,0,0,1,0|1,0,1]=4 1218 B18R3.151 NC1Cc2ccc(cc2C1)C3=CCCCC3 271570a_100000062251_100015193702 [0,1,0,0,0,1|1,0,0]=3 1219 B18R3.151 NC1Cc2ccc(cc2C1)C3=CCCCO3 271570a_100010177797_100015193702 [0,1,0,0,0,1|2,0,0]=4 1220 B18R3.151 NC1Cc2ccc(cc2C1)C3=CCNCC3 271570a_100000731432_100015193702 [0,1,0,0,0,1|2,0,0]=4 1221 B18R3.151 NC1Cc2ccc(cc2C1)C3=CCOCC3 271570a_100000070234_100015193702 [0,1,0,0,0,1|2,0,0]=4 1222 B18R3.151 NC1Cc2ccc(cc2C1)C3=CCSCC3 271570a_100010232141_100015193702 [0,1,0,0,0,1|2,0,0]=4 1223 B18R3.151 NC1Cc2ccc(cc2C1)C3=COCCC3 271570a_100010175576_100015193702 [0,1,0,0,0,1|2,0,0]=4 1224 B18R3.151 O=C1Cc2cc(ccc2N1)C3=CCCCC3 271570a_100000062251_100000754858 [0,1,0,0,0,1|1,0,1]=4 1225 B18R3.151 O=C1Cc2ccc(cc2C1)C3=CCCCC3 271570a_100000062251_100010185598 [0,1,0,0,0,1|1,0,0]=3 1226 B18R3.151 O=C1Cc2ccc(cc2C1)C3=CCCCO3 271570a_100010177797_100010185598 [0,1,0,0,0,1|2,0,0]=4 1227 B18R3.151 O=C1Cc2ccc(cc2C1)C3=CCNCC3 271570a_100000731432_100010185598 [0,1,0,0,0,1|2,0,0]=4 1228 B18R3.151 O=C1Cc2ccc(cc2C1)C3=CCOCC3 271570a_100000070234_100010185598 [0,1,0,0,0,1|2,0,0]=4 1229 B18R3.151 O=C1Cc2ccc(cc2C1)C3=CCSCC3 271570a_100010232141_100010185598 [0,1,0,0,0,1|2,0,0]=4 1230 B18R3.151 O=C1Cc2ccc(cc2C1)C3=COCCC3 271570a_100010175576_100010185598 [0,1,0,0,0,1|2,0,0]=4 1231 B18R3.151 O=C1Cc2ccc(cc2N1)C3=CCCCC3 271570a_100000062251_100000760487 [0,1,0,0,0,1|1,0,1]=4 1232 B18R3.151 OC1Cc2ccc(cc2C1)C3=CCCCC3 271570a_100000062251_100010161096 [0,1,0,0,0,1|1,0,0]=3 1233 B18R3.151 OC1Cc2ccc(cc2C1)C3=CCCCO3 271570a_100010177797_100010161096 [0,1,0,0,0,1|2,0,0]=4 1234 B18R3.151 OC1Cc2ccc(cc2C1)C3=CCNCC3 271570a_100000731432_100010161096 [0,1,0,0,0,1|2,0,0]=4 1235 B18R3.151 OC1Cc2ccc(cc2C1)C3=CCOCC3 271570a_100000070234_100010161096 [0,1,0,0,0,1|2,0,0]=4 1236 B18R3.151 OC1Cc2ccc(cc2C1)C3=CCSCC3 271570a_100010232141_100010161096 [0,1,0,0,0,1|2,0,0]=4 1237 B18R3.151 OC1Cc2ccc(cc2C1)C3=COCCC3 271570a_100010175576_100010161096 [0,1,0,0,0,1|2,0,0]=4 1238 B18R3.171 Fc1cc2c(cc1C3=CCCCC3)CCN2 271570a_100000062251_100012771920 [0,1,0,0,0,1|1,0,0]=3 1239 B18R3.171 Fc1cc2c(cc1C3=CCCCO3)CCN2 271570a_100010177797_100012771920 [0,1,0,0,0,1|2,0,0]=4 1240 B18R3.171 Fc1cc2c(cc1C3=CCNCC3)CCN2 271570a_100000731432_100012771920 [0,1,0,0,0,1|2,0,0]=4 1241 B18R3.171 Fc1cc2c(cc1C3=CCOCC3)CCN2 271570a_100000070234_100012771920 [0,1,0,0,0,1|2,0,0]=4 1242 B18R3.171 Fc1cc2c(cc1C3=CCSCC3)CCN2 271570a_100010232141_100012771920 [0,1,0,0,0,1|2,0,0]=4 1243 B18R3.171 Fc1cc2c(cc1C3=COCCC3)CCN2 271570a_100010175576_100012771920 [0,1,0,0,0,1|2,0,0]=4 1244 B18R3.171 Nc1cc2c(cc1C3=CCCCC3)OCO2 271570a_100000062251_100012557033 [0,1,0,0,0,1|2,0,0]=4 1245 B18R3.171 Oc1cc2c(cc1C3=CCCCC3)CCC2 271570a_100000062251_200010659162 [0,1,0,0,0,1|1,0,0]=3 1246 B18R3.171 Oc1cc2c(cc1C3=CCCCC3)OCO2 271570a_100000062251_100010290809 [0,1,0,0,0,1|2,0,0]=4 1247 B18R3.171 Oc1cc2c(cc1C3=CCCCO3)CCC2 271570a_100010177797_200010659162 [0,1,0,0,0,1|2,0,0]=4 1248 B18R3.171 Oc1cc2c(cc1C3=CCNCC3)CCC2 271570a_100000731432_200010659162 [0,1,0,0,0,1|2,0,0]=4 1249 B18R3.171 Oc1cc2c(cc1C3=CCOCC3)CCC2 271570a_100000070234_200010659162 [0,1,0,0,0,1|2,0,0]=4 1250 B18R3.171 Oc1cc2c(cc1C3=CCSCC3)CCC2 271570a_100010232141_200010659162 [0,1,0,0,0,1|2,0,0]=4 1251 B18R3.171 Oc1cc2c(cc1C3=COCCC3)CCC2 271570a_100010175576_200010659162 [0,1,0,0,0,1|2,0,0]=4 1252 B18R3.2972 CC1CC=C(CC1)c2cc3c(cn2)CCN3 271570a_100010240233_100020639910 [0,1,0,0,0,1|2,0,0]=4 1253 B18R3.2972 CC1CC=C(CC1)c2cc3c(cn2)CNC3 271570a_100010240233_100020645637 [0,1,0,0,0,1|2,0,0]=4 1254 B18R3.2972 CC1CC=C(CC1)c2cc3c(cn2)NCC3 271570a_100010240233_100009884275 [0,1,0,0,0,1|2,0,0]=4 1255 B18R3.2972 CC1CC=C(CC1)c2cc3c(cn2)OCC3 271570a_100010240233_102495363667 [0,1,0,0,0,1|2,0,0]=4 1256 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)C=CC3 271570a_100010240233_100009814306 [0,1,0,0,0,1|1,0,1]=4 1257 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)CC=C3 271570a_100010240233_200009818231 [0,1,0,0,0,1|1,0,1]=4 1258 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)CCC3 271570a_100010240233_100000745594 [0,1,0,0,0,1|1,0,0]=3 1259 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)CCN3 271570a_100010240233_100000026929 [0,1,0,0,0,1|1,0,0]=3 1260 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)CCO3 271570a_100010240233_100000729065 [0,1,0,0,0,1|1,0,0]=3 1261 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)CNC3 271570a_100010240233_100000702344 [0,1,0,0,0,1|1,0,0]=3 1262 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)COC3 271570a_100010240233_100000698232 [0,1,0,0,0,1|1,0,0]=3 1263 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)NCC3 271570a_100010240233_100000754641 [0,1,0,0,0,1|1,0,0]=3 1264 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)OCC3 271570a_100010240233_100009818566 [0,1,0,0,0,1|1,0,0]=3 1265 B18R3.2972 CC1CC=C(CC1)c2ccc3c(c2)OCO3 271570a_100010240233_100000688060 [0,1,0,0,0,1|2,0,0]=4 1266 B18R3.2972 CC1CC=C(CC1)c2ccc3c(n2)CCC3 271570a_100010240233_100000046531 [0,1,0,0,0,1|2,0,0]=4 1267 B18R3.2972 CC1CC=C(CC1)c2ccc3c(n2)CCN3 271570a_100010240233_100009872833 [0,1,0,0,0,1|2,0,0]=4 1268 B18R3.2972 CC1CC=C(CC1)c2ccc3c(n2)CNC3 271570a_100010240233_100016995040 [0,1,0,0,0,1|2,0,0]=4 1269 B18R3.2972 CC1CC=C(CC1)c2cnc3c(c2)CCC3 271570a_100010240233_100000693888 [0,1,0,0,0,1|2,0,0]=4 1270 B18R3.2972 CC1CC=C(CC1)c2cnc3c(c2)CCN3 271570a_100010240233_100009817725 [0,1,0,0,0,1|2,0,0]=4 1271 B18R3.2972 CC1CC=C(CC1)c2cnc3c(c2)NCC3 271570a_100010240233_100000698607 [0,1,0,0,0,1|2,0,0]=4 1272 B18R3.2972 OC1CC=C(CC1)c2cc3c(cn2)CCN3 271570a_100010254553_100020639910 [0,1,0,0,0,1|2,0,0]=4 1273 B18R3.2972 OC1CC=C(CC1)c2cc3c(cn2)CNC3 271570a_100010254553_100020645637 [0,1,0,0,0,1|2,0,0]=4 1274 B18R3.2972 OC1CC=C(CC1)c2cc3c(cn2)NCC3 271570a_100010254553_100009884275 [0,1,0,0,0,1|2,0,0]=4 1275 B18R3.2972 OC1CC=C(CC1)c2cc3c(cn2)OCC3 271570a_100010254553_102495363667 [0,1,0,0,0,1|2,0,0]=4 1276 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)C=CC3 271570a_100010254553_100009814306 [0,1,0,0,0,1|1,0,1]=4 1277 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)CC=C3 271570a_100010254553_200009818231 [0,1,0,0,0,1|1,0,1]=4 1278 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)CCC3 271570a_100010254553_100000745594 [0,1,0,0,0,1|1,0,0]=3 1279 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)CCN3 271570a_100010254553_100000026929 [0,1,0,0,0,1|1,0,0]=3 1280 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)CCO3 271570a_100010254553_100000729065 [0,1,0,0,0,1|1,0,0]=3 1281 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)CNC3 271570a_100010254553_100000702344 [0,1,0,0,0,1|1,0,0]=3 1282 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)COC3 271570a_100010254553_100000698232 [0,1,0,0,0,1|1,0,0]=3 1283 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)NCC3 271570a_100010254553_100000754641 [0,1,0,0,0,1|1,0,0]=3 1284 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)OCC3 271570a_100010254553_100009818566 [0,1,0,0,0,1|1,0,0]=3 1285 B18R3.2972 OC1CC=C(CC1)c2ccc3c(c2)OCO3 271570a_100010254553_100000688060 [0,1,0,0,0,1|2,0,0]=4 1286 B18R3.2972 OC1CC=C(CC1)c2ccc3c(n2)CCC3 271570a_100010254553_100000046531 [0,1,0,0,0,1|2,0,0]=4 1287 B18R3.2972 OC1CC=C(CC1)c2ccc3c(n2)CCN3 271570a_100010254553_100009872833 [0,1,0,0,0,1|2,0,0]=4 1288 B18R3.2972 OC1CC=C(CC1)c2ccc3c(n2)CNC3 271570a_100010254553_100016995040 [0,1,0,0,0,1|2,0,0]=4 1289 B18R3.2972 OC1CC=C(CC1)c2cnc3c(c2)CCC3 271570a_100010254553_100000693888 [0,1,0,0,0,1|2,0,0]=4 1290 B18R3.2972 OC1CC=C(CC1)c2cnc3c(c2)CCN3 271570a_100010254553_100009817725 [0,1,0,0,0,1|2,0,0]=4 1291 B18R3.2972 OC1CC=C(CC1)c2cnc3c(c2)NCC3 271570a_100010254553_100000698607 [0,1,0,0,0,1|2,0,0]=4 1292 B18R3.3026 O=C1C=C(CCC1)c2ccc3c(c2)CCC3 271570a_100000723966_100000745594 [0,1,0,0,0,1|1,0,1]=4 1293 B18R3.3026 O=C1C=C(CCC1)c2ccc3c(c2)CCN3 271570a_100000723966_100000026929 [0,1,0,0,0,1|1,0,1]=4 1294 B18R3.3026 O=C1C=C(CCC1)c2ccc3c(c2)CCO3 271570a_100000723966_100000729065 [0,1,0,0,0,1|1,0,1]=4 1295 B18R3.3026 O=C1C=C(CCC1)c2ccc3c(c2)CNC3 271570a_100000723966_100000702344 [0,1,0,0,0,1|1,0,1]=4 1296 B18R3.3026 O=C1C=C(CCC1)c2ccc3c(c2)COC3 271570a_100000723966_100000698232 [0,1,0,0,0,1|1,0,1]=4 1297 B18R3.3026 O=C1C=C(CCC1)c2ccc3c(c2)NCC3 271570a_100000723966_100000754641 [0,1,0,0,0,1|1,0,1]=4 1298 B18R3.3026 O=C1C=C(CCC1)c2ccc3c(c2)OCC3 271570a_100000723966_100009818566 [0,1,0,0,0,1|1,0,1]=4 1299 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100009815432 [0,1,0,0,0,1|1,0,0]=3 1300 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCCCO3 271570a_100010177797_100009815432 [0,1,0,0,0,1|2,0,0]=4 1301 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCNCC3 271570a_100000731432_100009815432 [0,1,0,0,0,1|2,0,0]=4 1302 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCOCC3 271570a_100000070234_100009815432 [0,1,0,0,0,1|2,0,0]=4 1303 B18R3.4180 CN1CCc2c1ccc(c2)C3=CCSCC3 271570a_100010232141_100009815432 [0,1,0,0,0,1|2,0,0]=4 1304 B18R3.4180 CN1CCc2c1ccc(c2)C3=COCCC3 271570a_100010175576_100009815432 [0,1,0,0,0,1|2,0,0]=4 1305 B18R3.4180 CN1CCc2c1ncc(c2)C3=CCCCC3 271570a_100000062251_200010383199 [0,1,0,0,0,1|2,0,0]=4 1306 B18R3.4180 NC1CCc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100000744021 [0,1,0,0,0,1|1,0,0]=3 1307 B18R3.4180 NC1CCc2c1ccc(c2)C3=CCCCO3 271570a_100010177797_100000744021 [0,1,0,0,0,1|2,0,0]=4 1308 B18R3.4180 NC1CCc2c1ccc(c2)C3=CCNCC3 271570a_100000731432_100000744021 [0,1,0,0,0,1|2,0,0]=4 1309 B18R3.4180 NC1CCc2c1ccc(c2)C3=CCOCC3 271570a_100000070234_100000744021 [0,1,0,0,0,1|2,0,0]=4 1310 B18R3.4180 NC1CCc2c1ccc(c2)C3=CCSCC3 271570a_100010232141_100000744021 [0,1,0,0,0,1|2,0,0]=4 1311 B18R3.4180 NC1CCc2c1ccc(c2)C3=COCCC3 271570a_100010175576_100000744021 [0,1,0,0,0,1|2,0,0]=4 1312 B18R3.4180 NC1COc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100020628175 [0,1,0,0,0,1|1,0,0]=3 1313 B18R3.4180 NC1COc2c1ccc(c2)C3=CCCCO3 271570a_100010177797_100020628175 [0,1,0,0,0,1|2,0,0]=4 1314 B18R3.4180 NC1COc2c1ccc(c2)C3=CCNCC3 271570a_100000731432_100020628175 [0,1,0,0,0,1|2,0,0]=4 1315 B18R3.4180 NC1COc2c1ccc(c2)C3=CCOCC3 271570a_100000070234_100020628175 [0,1,0,0,0,1|2,0,0]=4 1316 B18R3.4180 NC1COc2c1ccc(c2)C3=CCSCC3 271570a_100010232141_100020628175 [0,1,0,0,0,1|2,0,0]=4 1317 B18R3.4180 NC1COc2c1ccc(c2)C3=COCCC3 271570a_100010175576_100020628175 [0,1,0,0,0,1|2,0,0]=4 1318 B18R3.4180 O=C1CCc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100000737041 [0,1,0,0,0,1|1,0,0]=3 1319 B18R3.4180 O=C1CCc2c1ccc(c2)C3=CCCCO3 271570a_100010177797_100000737041 [0,1,0,0,0,1|2,0,0]=4 1320 B18R3.4180 O=C1CCc2c1ccc(c2)C3=CCNCC3 271570a_100000731432_100000737041 [0,1,0,0,0,1|2,0,0]=4 1321 B18R3.4180 O=C1CCc2c1ccc(c2)C3=CCOCC3 271570a_100000070234_100000737041 [0,1,0,0,0,1|2,0,0]=4 1322 B18R3.4180 O=C1CCc2c1ccc(c2)C3=CCSCC3 271570a_100010232141_100000737041 [0,1,0,0,0,1|2,0,0]=4 1323 B18R3.4180 O=C1CCc2c1ccc(c2)C3=COCCC3 271570a_100010175576_100000737041 [0,1,0,0,0,1|2,0,0]=4 1324 B18R3.4180 O=C1COc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100000686717 [0,1,0,0,0,1|1,0,1]=4 1325 B18R3.4180 O=C1NCc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100000692135 [0,1,0,0,0,1|1,0,1]=4 1326 B18R3.4180 O=C1OCc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100009816608 [0,1,0,0,0,1|1,0,1]=4 1327 B18R3.4180 OC1CCc2c1ccc(c2)C3=CCCCC3 271570a_100000062251_100000747877 [0,1,0,0,0,1|1,0,0]=3 1328 B18R3.4180 OC1CCc2c1ccc(c2)C3=CCCCO3 271570a_100010177797_100000747877 [0,1,0,0,0,1|2,0,0]=4 1329 B18R3.4180 OC1CCc2c1ccc(c2)C3=CCNCC3 271570a_100000731432_100000747877 [0,1,0,0,0,1|2,0,0]=4 1330 B18R3.4180 OC1CCc2c1ccc(c2)C3=CCOCC3 271570a_100000070234_100000747877 [0,1,0,0,0,1|2,0,0]=4 1331 B18R3.4180 OC1CCc2c1ccc(c2)C3=CCSCC3 271570a_100010232141_100000747877 [0,1,0,0,0,1|2,0,0]=4 1332 B18R3.4180 OC1CCc2c1ccc(c2)C3=COCCC3 271570a_100010175576_100000747877 [0,1,0,0,0,1|2,0,0]=4 1333 B18R3.4323 Cc1c(ccc2c1OCO2)C3=CCCCC3 271570a_100000062251_100010335860 [0,1,0,0,0,1|2,0,0]=4 1334 B18R3.4323 Fc1c(ccc2c1CCN2)C3=CCCCC3 271570a_100000062251_100011013764 [0,1,0,0,0,1|1,0,0]=3 1335 B18R3.4323 Fc1c(ccc2c1CCN2)C3=CCCCO3 271570a_100010177797_100011013764 [0,1,0,0,0,1|2,0,0]=4 1336 B18R3.4323 Fc1c(ccc2c1CCN2)C3=CCNCC3 271570a_100000731432_100011013764 [0,1,0,0,0,1|2,0,0]=4 1337 B18R3.4323 Fc1c(ccc2c1CCN2)C3=CCOCC3 271570a_100000070234_100011013764 [0,1,0,0,0,1|2,0,0]=4 1338 B18R3.4323 Fc1c(ccc2c1CCN2)C3=CCSCC3 271570a_100010232141_100011013764 [0,1,0,0,0,1|2,0,0]=4 1339 B18R3.4323 Fc1c(ccc2c1CCN2)C3=COCCC3 271570a_100010175576_100011013764 [0,1,0,0,0,1|2,0,0]=4 1340 B18R3.4323 Fc1c(ccc2c1OCO2)C3=CCCCC3 271570a_100000062251_100010223184 [0,1,0,0,0,1|2,0,0]=4 1341 B18R3.4323 Nc1c(ccc2c1CCC2)C3=CCCCC3 271570a_100000062251_202495424074 [0,1,0,0,0,1|1,0,0]=3 1342 B18R3.4323 Nc1c(ccc2c1CCC2)C3=CCCCO3 271570a_100010177797_202495424074 [0,1,0,0,0,1|2,0,0]=4 1343 B18R3.4323 Nc1c(ccc2c1CCC2)C3=CCNCC3 271570a_100000731432_202495424074 [0,1,0,0,0,1|2,0,0]=4 1344 B18R3.4323 Nc1c(ccc2c1CCC2)C3=CCOCC3 271570a_100000070234_202495424074 [0,1,0,0,0,1|2,0,0]=4 1345 B18R3.4323 Nc1c(ccc2c1CCC2)C3=CCSCC3 271570a_100010232141_202495424074 [0,1,0,0,0,1|2,0,0]=4 1346 B18R3.4323 Nc1c(ccc2c1CCC2)C3=COCCC3 271570a_100010175576_202495424074 [0,1,0,0,0,1|2,0,0]=4 1347 B18R3.4323 Oc1c(ccc2c1CCC2)C3=CCCCC3 271570a_100000062251_100010662108 [0,1,0,0,0,1|1,0,0]=3 1348 B18R3.4323 Oc1c(ccc2c1CCC2)C3=CCCCO3 271570a_100010177797_100010662108 [0,1,0,0,0,1|2,0,0]=4 1349 B18R3.4323 Oc1c(ccc2c1CCC2)C3=CCNCC3 271570a_100000731432_100010662108 [0,1,0,0,0,1|2,0,0]=4 1350 B18R3.4323 Oc1c(ccc2c1CCC2)C3=CCOCC3 271570a_100000070234_100010662108 [0,1,0,0,0,1|2,0,0]=4 1351 B18R3.4323 Oc1c(ccc2c1CCC2)C3=CCSCC3 271570a_100010232141_100010662108 [0,1,0,0,0,1|2,0,0]=4 1352 B18R3.4323 Oc1c(ccc2c1CCC2)C3=COCCC3 271570a_100010175576_100010662108 [0,1,0,0,0,1|2,0,0]=4 1353 B18R3.53542 NC1CCc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100011435097 [0,1,0,0,0,1|1,0,0]=3 1354 B18R3.53542 NC1CCc2c1cc(cc2)C3=CCCCO3 271570a_100010177797_100011435097 [0,1,0,0,0,1|2,0,0]=4 1355 B18R3.53542 NC1CCc2c1cc(cc2)C3=CCNCC3 271570a_100000731432_100011435097 [0,1,0,0,0,1|2,0,0]=4 1356 B18R3.53542 NC1CCc2c1cc(cc2)C3=CCOCC3 271570a_100000070234_100011435097 [0,1,0,0,0,1|2,0,0]=4 1357 B18R3.53542 NC1CCc2c1cc(cc2)C3=CCSCC3 271570a_100010232141_100011435097 [0,1,0,0,0,1|2,0,0]=4 1358 B18R3.53542 NC1CCc2c1cc(cc2)C3=COCCC3 271570a_100010175576_100011435097 [0,1,0,0,0,1|2,0,0]=4 1359 B18R3.53542 O=C1CCc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100000759401 [0,1,0,0,0,1|1,0,0]=3 1360 B18R3.53542 O=C1CCc2c1cc(cc2)C3=CCCCO3 271570a_100010177797_100000759401 [0,1,0,0,0,1|2,0,0]=4 1361 B18R3.53542 O=C1CCc2c1cc(cc2)C3=CCNCC3 271570a_100000731432_100000759401 [0,1,0,0,0,1|2,0,0]=4 1362 B18R3.53542 O=C1CCc2c1cc(cc2)C3=CCOCC3 271570a_100000070234_100000759401 [0,1,0,0,0,1|2,0,0]=4 1363 B18R3.53542 O=C1CCc2c1cc(cc2)C3=CCSCC3 271570a_100010232141_100000759401 [0,1,0,0,0,1|2,0,0]=4 1364 B18R3.53542 O=C1CCc2c1cc(cc2)C3=COCCC3 271570a_100010175576_100000759401 [0,1,0,0,0,1|2,0,0]=4 1365 B18R3.53542 O=C1CCc2c1cc(cn2)C3=CCCCC3 271570a_100000062251_100010174022 [0,1,0,0,0,1|2,0,0]=4 1366 B18R3.53542 O=C1CCc2c1nc(cc2)C3=CCCCC3 271570a_100000062251_100000701527 [0,1,0,0,0,1|2,0,0]=4 1367 B18R3.53542 O=C1COc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100000752586 [0,1,0,0,0,1|1,0,1]=4 1368 B18R3.53542 O=C1NCc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100010171230 [0,1,0,0,0,1|1,0,1]=4 1369 B18R3.53542 O=C1OCc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100000693025 [0,1,0,0,0,1|1,0,1]=4 1370 B18R3.53542 OC1CCc2c1cc(cc2)C3=CCCCC3 271570a_100000062251_100011836024 [0,1,0,0,0,1|1,0,0]=3 1371 B18R3.53542 OC1CCc2c1cc(cc2)C3=CCCCO3 271570a_100010177797_100011836024 [0,1,0,0,0,1|2,0,0]=4 1372 B18R3.53542 OC1CCc2c1cc(cc2)C3=CCNCC3 271570a_100000731432_100011836024 [0,1,0,0,0,1|2,0,0]=4 1373 B18R3.53542 OC1CCc2c1cc(cc2)C3=CCOCC3 271570a_100000070234_100011836024 [0,1,0,0,0,1|2,0,0]=4 1374 B18R3.53542 OC1CCc2c1cc(cc2)C3=CCSCC3 271570a_100010232141_100011836024 [0,1,0,0,0,1|2,0,0]=4 1375 B18R3.53542 OC1CCc2c1cc(cc2)C3=COCCC3 271570a_100010175576_100011836024 [0,1,0,0,0,1|2,0,0]=4 1376 B18R3.6537 O=C1CCCCC1Sc2ccc3c(c2)CC3 62a_100000204591_100009818592 [0,1,0,0,0,1|1,0,1]=4 1377 B18R3.6537 O=C1CCCCC1Sc2ccc3c(c2)CC3 62a_100009818592_100000204591 [0,1,0,0,0,1|1,0,1]=4 1378 B18R3.6537 O=C1CCOCC1Sc2ccc3c(c2)CC3 62a_100009818592_100012180262 [0,1,0,0,0,1|1,0,1]=4 1379 B18R3.6537 O=C1CCOCC1Sc2ccc3c(c2)CC3 62a_100012180262_100009818592 [0,1,0,0,0,1|1,0,1]=4 1380 B18R3.80 CCC1CC=C(CC1)c2ccc3c(c2)CC3 271570a_200010144120_100009818592 [0,2,0,0,0,0|1,0,0]=3 1381 B18R3.80 COC1CC=C(CC1)c2ccc3c(c2)CC3 271570a_100010144119_100009818592 [0,2,0,0,0,0|1,0,0]=3 1382 B18R3.80 N#CC1CC=C(CC1)c2ccc3c(c2)CC3 271570a_100010254552_100009818592 [0,2,0,0,0,0|1,0,0]=3 1383 B18R3.474680 CC1(CC=C(CC1)c2ccc3c(c2)CC3)C 271570a_100000069032_100009818592 [0,2,0,0,0,0|1,0,0]=3 1384 B18R3.474680 FC1(CC=C(CC1)c2ccc3c(c2)CC3)F 271570a_100010243660_100009818592 [0,2,0,0,0,0|1,0,0]=3 1385 B14R1.776 C=CCNCCc1ccc(cc1)CC 2230a_100025712186_100000210623 [0,0,2,0,0,0|0,0,2]=4 1386 B14R1.776 C=CCNCCc1ccc(cc1)CC 34a_100025712186_100015514636 [0,0,2,0,0,0|0,0,2]=4 1387 B14R1.776 CCCCC=Cc1ccc(cc1)CC 271570a_100016275911_100011215824 [0,0,2,0,0,0|1,0,0]=3 1388 B14R1.776 CCCCC=Cc1ccc(cc1)CF 271570a_100016275911_100010268989 [0,0,2,0,0,0|2,0,0]=4 1389 B14R1.776 CCCCC=Cc1ccc(cc1)CN 271570a_100016275911_100016989417 [0,0,2,0,0,0|2,0,0]=4 1390 B14R1.776 CCCCC=Cc1ccc(cc1)CO 271570a_100016275911_100000690907 [0,0,2,0,0,0|2,0,0]=4 1391 B14R1.776 CCCCC=Cc1ccc(cc1)NC 271570a_100016275911_100000219623 [0,0,2,0,0,0|2,0,0]=4 1392 B14R1.776 CCCCC=Cc1ccc(cc1)OC 271570a_100016275911_100000171711 [0,0,2,0,0,0|2,0,0]=4 1393 B14R1.776 CCCCC=Cc1ccc(cc1)SC 271570a_100016275911_100011263217 [0,0,2,0,0,0|2,0,0]=4 1394 B14R1.776 CCCCC=Cc1ccc(cn1)CC 271570a_100016275911_100009843584 [0,0,2,0,0,0|2,0,0]=4 1395 B14R1.776 CCCCC=Cc1ccc(nc1)CC 271570a_100016275911_100009820025 [0,0,2,0,0,0|2,0,0]=4 1396 B14R1.776 CCCNCCc1ccc(cc1)CC 2230a_100025712186_100000210303 [0,0,2,0,0,0|0,0,2]=4 1397 B14R1.776 CCCNCCc1ccc(cc1)CC 34a_100025712186_100000210303 [0,0,2,0,0,0|0,0,2]=4 1398 B14R1.776 CCCNN=Cc1ccc(cc1)CC 4a_100000740057_100000211036 [0,0,2,0,0,0|1,0,1]=4 1399 B14R1.776 CCc1ccc(cc1)C=NNCCO 4a_100000210001_100000211036 [0,0,2,0,0,0|2,0,0]=4 1400 B14R1.776 CCc1ccc(cc1)CCNCCF 2230a_100025712186_100011217306 [0,0,2,0,0,0|1,0,1]=4 1401 B14R1.776 CCc1ccc(cc1)CCNCCF 34a_100025712186_100011217306 [0,0,2,0,0,0|1,0,1]=4 1402 B14R1.776 CCc1ccc(cc1)CCNCCO 2230a_100025712186_100000211926 [0,0,2,0,0,0|1,0,1]=4 1403 B14R1.776 CCc1ccc(cc1)CCNCCO 34a_100025712186_100000211926 [0,0,2,0,0,0|1,0,1]=4 1404 B14R1.926 CCCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210211 [0,0,2,0,0,0|2,0,0]=4 1405 B14R1.926 CCNCC(=O)c1ccc(cc1)CC 2230a_100015525214_100000689809 [0,0,2,0,0,0|1,0,0]=3 1406 B14R1.926 CCNCC(=O)c1ccc(cc1)OC 2230a_100015525214_100000212054 [0,0,2,0,0,0|2,0,0]=4 1407 B14R1.926 CCNCC(=O)c1ccc(cc1)SC 2230a_100015525214_100011216809 [0,0,2,0,0,0|2,0,0]=4 1408 B14R1.926 CCNN=C(C)c1ccc(cc1)CC 4a_100000756455_100000211630 [0,0,2,0,0,0|1,0,1]=4 1409 B14R1.926 CCNNC(=O)c1ccc(cc1)CC 22a_100000756455_100000211226 [0,0,2,0,0,0|2,0,0]=4 1410 B14R1.926 CCSCC(=O)c1ccc(cc1)CC 62a_100000210202_100000689809 [0,0,2,0,0,0|2,0,0]=4 1411 B14R1.926 CCSCC(=O)c1ccc(cc1)CC 62a_100000689809_100000210202 [0,0,2,0,0,0|2,0,0]=4 1412 B14R1.228 CCCCC=Cc1cc(ccn1)CC 271570a_100016275911_100009817561 [0,0,2,0,0,0|2,0,0]=4 1413 B14R1.228 CCCCC=Cc1cccc(c1)CC 271570a_100016275911_100000684523 [0,0,2,0,0,0|1,0,0]=3 1414 B14R1.228 CCCCC=Cc1cccc(c1)CF 271570a_100016275911_100010878472 [0,0,2,0,0,0|2,0,0]=4 1415 B14R1.228 CCCCC=Cc1cccc(c1)CN 271570a_100016275911_100000106179 [0,0,2,0,0,0|2,0,0]=4 1416 B14R1.228 CCCCC=Cc1cccc(c1)CO 271570a_100016275911_100000687537 [0,0,2,0,0,0|2,0,0]=4 1417 B14R1.228 CCCCC=Cc1cccc(c1)NC 271570a_100016275911_100000219648 [0,0,2,0,0,0|2,0,0]=4 1418 B14R1.228 CCCCC=Cc1cccc(c1)OC 271570a_100016275911_100000170001 [0,0,2,0,0,0|2,0,0]=4 1419 B14R1.228 CCCCC=Cc1cccc(c1)SC 271570a_100016275911_100011215954 [0,0,2,0,0,0|2,0,0]=4 1420 B14R1.228 CCCCC=Cc1cccc(n1)CC 271570a_100016275911_100009856026 [0,0,2,0,0,0|2,0,0]=4 1421 B14R1.228 CCCCC=Cc1ccnc(c1)CC 271570a_100016275911_100009820011 [0,0,2,0,0,0|2,0,0]=4 1422 B14R1.228 CCCCC=Cc1cncc(c1)CC 271570a_100016275911_200009819073 [0,0,2,0,0,0|2,0,0]=4 1423 B14R1.228 CCCNN=Cc1cccc(c1)CC 4a_100000740057_100011999841 [0,0,2,0,0,0|1,0,1]=4 1424 B14R1.228 CCc1cccc(c1)C=NNCCO 4a_100000210001_100011999841 [0,0,2,0,0,0|2,0,0]=4 1425 B14R1.934 CCCCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210211 [0,0,2,0,0,0|2,0,0]=4 1426 B14R1.934 CCNN=C(C)c1cccc(c1)CC 4a_100000756455_100011220055 [0,0,2,0,0,0|1,0,1]=4 1427 B14R1.934 CCNNC(=O)c1cccc(c1)CC 22a_100000756455_100011933908 [0,0,2,0,0,0|2,0,0]=4 1428 B14R1.232 C=CCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000210623 [0,0,2,0,0,0|0,0,2]=4 1429 B14R1.232 C=CCNCCc1ccc(c(c1)C)C 34a_100020591374_100015514636 [0,0,2,0,0,0|0,0,2]=4 1430 B14R1.232 CCCCC=Cc1cc(c(cn1)C)C 271570a_100016275911_100009850809 [0,0,2,0,0,0|2,0,0]=4 1431 B14R1.232 CCCCC=Cc1ccc(c(c1)Br)C 271570a_100016275911_100011847877 [0,0,2,0,0,0|2,0,0]=4 1432 B14R1.232 CCCCC=Cc1ccc(c(c1)C)Br 271570a_100016275911_100009813585 [0,0,2,0,0,0|2,0,0]=4 1433 B14R1.232 CCCCC=Cc1ccc(c(c1)C)C 271570a_100016275911_100011215607 [0,0,2,0,0,0|1,0,0]=3 1434 B14R1.232 CCCCC=Cc1ccc(c(c1)C)Cl 271570a_100016275911_100000049509 [0,0,2,0,0,0|2,0,0]=4 1435 B14R1.232 CCCCC=Cc1ccc(c(c1)C)F 271570a_100016275911_100011218330 [0,0,2,0,0,0|2,0,0]=4 1436 B14R1.232 CCCCC=Cc1ccc(c(c1)C)N 271570a_100016275911_100000211769 [0,0,2,0,0,0|2,0,0]=4 1437 B14R1.232 CCCCC=Cc1ccc(c(c1)C)O 271570a_100016275911_100000186361 [0,0,2,0,0,0|2,0,0]=4 1438 B14R1.232 CCCCC=Cc1ccc(c(c1)Cl)C 271570a_100016275911_100011216363 [0,0,2,0,0,0|2,0,0]=4 1439 B14R1.232 CCCCC=Cc1ccc(c(c1)F)C 271570a_100016275911_100000720648 [0,0,2,0,0,0|2,0,0]=4 1440 B14R1.232 CCCCC=Cc1ccc(c(c1)N)C 271570a_100016275911_100000761890 [0,0,2,0,0,0|2,0,0]=4 1441 B14R1.232 CCCCC=Cc1ccc(c(c1)O)C 271570a_100016275911_100000766334 [0,0,2,0,0,0|2,0,0]=4 1442 B14R1.232 CCCCC=Cc1ccc(c(n1)C)C 271570a_100016275911_100000103781 [0,0,2,0,0,0|2,0,0]=4 1443 B14R1.232 CCCCC=Cc1cnc(c(c1)C)C 271570a_100016275911_100000697892 [0,0,2,0,0,0|2,0,0]=4 1444 B14R1.232 CCCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000210303 [0,0,2,0,0,0|0,0,2]=4 1445 B14R1.232 CCCNCCc1ccc(c(c1)C)C 34a_100020591374_100000210303 [0,0,2,0,0,0|0,0,2]=4 1446 B14R1.232 CCCNN=Cc1ccc(c(c1)C)C 4a_100000740057_100000229942 [0,0,2,0,0,0|1,0,1]=4 1447 B14R1.232 CNCCCOc1ccc(c(c1)C)C 2230a_106832991635_100000737685 [0,0,2,0,0,0|1,0,1]=4 1448 B14R1.232 CNCCCOc1ccc(c(c1)C)C 34a_100102657272_100000737685 [0,0,2,0,0,0|1,0,1]=4 1449 B14R1.232 CNCCCOc1ccc(c(c1)C)C 7a_106832991635_100000737685 [0,0,2,0,0,0|1,0,1]=4 1450 B14R1.232 Cc1ccc(cc1C)C=NNCCO 4a_100000210001_100000229942 [0,0,2,0,0,0|2,0,0]=4 1451 B14R1.232 Cc1ccc(cc1C)CCNCCF 2230a_100020591374_100011217306 [0,0,2,0,0,0|1,0,1]=4 1452 B14R1.232 Cc1ccc(cc1C)CCNCCF 34a_100020591374_100011217306 [0,0,2,0,0,0|1,0,1]=4 1453 B14R1.232 Cc1ccc(cc1C)CCNCCO 2230a_100020591374_100000211926 [0,0,2,0,0,0|1,0,1]=4 1454 B14R1.232 Cc1ccc(cc1C)CCNCCO 34a_100020591374_100000211926 [0,0,2,0,0,0|1,0,1]=4 1455 B14R1.941 CCCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210211 [0,0,2,0,0,0|2,0,0]=4 1456 B14R1.941 CCNCC(=O)c1ccc(c(c1)Br)C 2230a_100015525214_100012346676 [0,0,2,0,0,0|2,0,0]=4 1457 B14R1.941 CCNCC(=O)c1ccc(c(c1)C)C 2230a_100015525214_100000183365 [0,0,2,0,0,0|1,0,0]=3 1458 B14R1.941 CCNCC(=O)c1ccc(c(c1)F)C 2230a_100015525214_100011219196 [0,0,2,0,0,0|2,0,0]=4 1459 B14R1.941 CCNN=C(C)c1ccc(c(c1)C)C 4a_100000756455_100000210971 [0,0,2,0,0,0|1,0,1]=4 1460 B14R1.941 CCNNC(=O)c1ccc(c(c1)C)C 22a_100000756455_100000210898 [0,0,2,0,0,0|2,0,0]=4 1461 B14R1.941 CCSCC(=O)c1ccc(c(c1)C)C 62a_100000183365_100000210202 [0,0,2,0,0,0|2,0,0]=4 1462 B14R1.941 CCSCC(=O)c1ccc(c(c1)C)C 62a_100000210202_100000183365 [0,0,2,0,0,0|2,0,0]=4 1463 B16R3.4765 O=C(c1ccc2c(c1)CC2)C3CCC3 1458a_100000137882_100000749161 [0,0,1,1,0,0|2,0,0]=4 1464 B16R3.66125 O=C(CC1CC1)c2ccc3c(c2)CC3 1458a_100000137882_100000742324 [0,0,1,1,0,0|2,0,0]=4 1465 B16R3.5960 C(=C1CCCC1)c2ccc3c(c2)CC3 271570a_100010378317_100009818592 [0,0,1,1,0,0|1,0,0]=3 1466 B16R3.12027 C(=NNC1CC1)c2ccc3c(c2)CC3 4a_100000701032_100010273998 [0,0,1,1,0,0|1,0,1]=4 1467 B14R2.1 C=Cc1ccc(cc1)C2=CCCC2 271570a_100011290941_200010223205 [0,0,1,0,1,0|0,0,2]=4 1468 B14R2.1 CCc1ccc(cc1)C2=CCCC2 271570a_100000089523_100011215824 [0,0,1,0,1,0|0,0,0]=2 1469 B14R2.1 CCc1ccc(cc1)C2=CCOC2 271570a_100009872500_100011215824 [0,0,1,0,1,0|1,0,0]=3 1470 B14R2.1 CCc1ccc(cc1)C2=COCC2 271570a_100000118173_100011215824 [0,0,1,0,1,0|1,0,0]=3 1471 B14R2.1 CCc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100011215824 [0,0,1,0,1,0|0,0,2]=4 1472 B14R2.1 CCc1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100011215824 [0,0,1,0,1,0|1,0,1]=4 1473 B14R2.1 CCc1ccc(cc1)c2cc[nH]n2 271570a_100000767149_100000062575 [0,0,1,0,1,0|1,0,1]=4 1474 B14R2.1 CCc1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100011215824 [0,0,1,0,1,0|1,0,1]=4 1475 B14R2.1 CCc1ccc(cc1)c2cn[nH]c2 271570a_100000767149_100000238712 [0,0,1,0,1,0|1,0,1]=4 1476 B14R2.1 CCc1ccc(cn1)C2=CCCC2 271570a_100000089523_100009820025 [0,0,1,0,1,0|1,0,0]=3 1477 B14R2.1 CCc1ccc(cn1)C2=CCOC2 271570a_100009872500_100009820025 [0,0,1,0,1,0|2,0,0]=4 1478 B14R2.1 CCc1ccc(cn1)C2=COCC2 271570a_100000118173_100009820025 [0,0,1,0,1,0|2,0,0]=4 1479 B14R2.1 CCc1ccc(nc1)C2=CCCC2 271570a_100000089523_100009843584 [0,0,1,0,1,0|1,0,0]=3 1480 B14R2.1 CCc1ccc(nc1)C2=CCOC2 271570a_100009872500_100009843584 [0,0,1,0,1,0|2,0,0]=4 1481 B14R2.1 CCc1ccc(nc1)C2=COCC2 271570a_100000118173_100009843584 [0,0,1,0,1,0|2,0,0]=4 1482 B14R2.1 CCc1cnc(nc1)C2=CCCC2 271570a_100000089523_100000033099 [0,0,1,0,1,0|2,0,0]=4 1483 B14R2.1 CNc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000219623 [0,0,1,0,1,0|1,0,0]=3 1484 B14R2.1 CNc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000219623 [0,0,1,0,1,0|2,0,0]=4 1485 B14R2.1 CNc1ccc(cc1)C2=COCC2 271570a_100000118173_100000219623 [0,0,1,0,1,0|2,0,0]=4 1486 B14R2.1 CNc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000741341 [0,0,1,0,1,0|2,0,0]=4 1487 B14R2.1 CNc1ccc(nc1)C2=CCCC2 271570a_100000089523_100000764248 [0,0,1,0,1,0|2,0,0]=4 1488 B14R2.1 COc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000171711 [0,0,1,0,1,0|1,0,0]=3 1489 B14R2.1 COc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000171711 [0,0,1,0,1,0|2,0,0]=4 1490 B14R2.1 COc1ccc(cc1)C2=COCC2 271570a_100000118173_100000171711 [0,0,1,0,1,0|2,0,0]=4 1491 B14R2.1 COc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000047065 [0,0,1,0,1,0|2,0,0]=4 1492 B14R2.1 COc1ccc(nc1)C2=CCCC2 271570a_100000089523_100000755202 [0,0,1,0,1,0|2,0,0]=4 1493 B14R2.1 CSc1ccc(cc1)C2=CCCC2 271570a_100000089523_100011263217 [0,0,1,0,1,0|1,0,0]=3 1494 B14R2.1 CSc1ccc(cc1)C2=CCCC2 62a_200000210301_200010223205 [0,0,1,0,1,0|1,0,0]=3 1495 B14R2.1 CSc1ccc(cc1)C2=CCCC2 62a_200010223205_200000210301 [0,0,1,0,1,0|1,0,0]=3 1496 B14R2.1 CSc1ccc(cc1)C2=CCOC2 271570a_100009872500_100011263217 [0,0,1,0,1,0|2,0,0]=4 1497 B14R2.1 CSc1ccc(cc1)C2=COCC2 271570a_100000118173_100011263217 [0,0,1,0,1,0|2,0,0]=4 1498 B14R2.1 CSc1ccc(cn1)C2=CCCC2 271570a_100000089523_100011408404 [0,0,1,0,1,0|2,0,0]=4 1499 B14R2.1 CSc1ccc(nc1)C2=CCCC2 271570a_100000089523_100009820866 [0,0,1,0,1,0|2,0,0]=4 1500 B14R2.1 FCc1ccc(cc1)C2=CCCC2 271570a_100000089523_100010268989 [0,0,1,0,1,0|1,0,0]=3 1501 B14R2.1 FCc1ccc(cc1)C2=CCOC2 271570a_100009872500_100010268989 [0,0,1,0,1,0|2,0,0]=4 1502 B14R2.1 FCc1ccc(cc1)C2=COCC2 271570a_100000118173_100010268989 [0,0,1,0,1,0|2,0,0]=4 1503 B14R2.1 N#Cc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000179745 [0,0,1,0,1,0|1,0,1]=4 1504 B14R2.1 NCc1ccc(cc1)C2=CCCC2 271570a_100000089523_100016989417 [0,0,1,0,1,0|1,0,0]=3 1505 B14R2.1 NCc1ccc(cc1)C2=CCOC2 271570a_100009872500_100016989417 [0,0,1,0,1,0|2,0,0]=4 1506 B14R2.1 NCc1ccc(cc1)C2=COCC2 271570a_100000118173_100016989417 [0,0,1,0,1,0|2,0,0]=4 1507 B14R2.1 NCc1ccc(cn1)C2=CCCC2 271570a_100000089523_100015188789 [0,0,1,0,1,0|2,0,0]=4 1508 B14R2.1 NCc1ccc(nc1)C2=CCCC2 271570a_100000089523_100009817727 [0,0,1,0,1,0|2,0,0]=4 1509 B14R2.1 NNc1ccc(cc1)C2=CCCC2 271570a_100000089523_100016988836 [0,0,1,0,1,0|2,0,0]=4 1510 B14R2.1 O=Cc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000186029 [0,0,1,0,1,0|1,0,1]=4 1511 B14R2.1 OCc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000690907 [0,0,1,0,1,0|1,0,0]=3 1512 B14R2.1 OCc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000690907 [0,0,1,0,1,0|2,0,0]=4 1513 B14R2.1 OCc1ccc(cc1)C2=COCC2 271570a_100000118173_100000690907 [0,0,1,0,1,0|2,0,0]=4 1514 B14R2.1 OCc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000754261 [0,0,1,0,1,0|2,0,0]=4 1515 B14R2.1 OCc1ccc(nc1)C2=CCCC2 271570a_100000089523_100009816760 [0,0,1,0,1,0|2,0,0]=4 1516 B14R2.1 [13CH3]Sc1ccc(cc1)C2=CCCC2 62a_200010223205_200025704644 [0,0,1,0,1,0|1,0,0]=3 1517 B14R2.1 [13CH3]Sc1ccc(cc1)C2=CCCC2 62a_200025704644_200010223205 [0,0,1,0,1,0|1,0,0]=3 1518 B14R2.8 CCc1cc(cs1)C2=CCCCC2 271570a_100000062251_100009846239 [0,0,1,0,1,0|2,0,0]=4 1519 B14R2.8 CCc1ccc(s1)C2=CCCCC2 271570a_100000062251_100009844052 [0,0,1,0,1,0|2,0,0]=4 1520 B14R2.10 C=Cc1cccc(c1)C2=CCCC2 271570a_100011290941_200010203063 [0,0,1,0,1,0|0,0,2]=4 1521 B14R2.10 CCc1cc(ccn1)C2=CCCC2 271570a_100000089523_100009820011 [0,0,1,0,1,0|1,0,0]=3 1522 B14R2.10 CCc1cc(ccn1)C2=CCOC2 271570a_100009872500_100009820011 [0,0,1,0,1,0|2,0,0]=4 1523 B14R2.10 CCc1cc(ccn1)C2=COCC2 271570a_100000118173_100009820011 [0,0,1,0,1,0|2,0,0]=4 1524 B14R2.10 CCc1cc(ncn1)C2=CCCC2 271570a_100000089523_100000744278 [0,0,1,0,1,0|2,0,0]=4 1525 B14R2.10 CCc1cccc(c1)C2=CCCC2 271570a_100000089523_100000684523 [0,0,1,0,1,0|0,0,0]=2 1526 B14R2.10 CCc1cccc(c1)C2=CCOC2 271570a_100009872500_100000684523 [0,0,1,0,1,0|1,0,0]=3 1527 B14R2.10 CCc1cccc(c1)C2=COCC2 271570a_100000118173_100000684523 [0,0,1,0,1,0|1,0,0]=3 1528 B14R2.10 CCc1cccc(c1)c2cc[nH]c2 271570a_100000102155_100000684523 [0,0,1,0,1,0|0,0,2]=4 1529 B14R2.10 CCc1cccc(c1)c2cc[nH]n2 271570a_100000062414_100000684523 [0,0,1,0,1,0|1,0,1]=4 1530 B14R2.10 CCc1cccc(c1)c2cc[nH]n2 271570a_100012343334_100000062575 [0,0,1,0,1,0|1,0,1]=4 1531 B14R2.10 CCc1cccc(c1)c2cn[nH]c2 271570a_100000041997_100000684523 [0,0,1,0,1,0|1,0,1]=4 1532 B14R2.10 CCc1cccc(c1)c2cn[nH]c2 271570a_100012343334_100000238712 [0,0,1,0,1,0|1,0,1]=4 1533 B14R2.10 CCc1cccc(n1)C2=CCCC2 271570a_100000089523_100009856026 [0,0,1,0,1,0|1,0,0]=3 1534 B14R2.10 CCc1cccc(n1)C2=CCOC2 271570a_100009872500_100009856026 [0,0,1,0,1,0|2,0,0]=4 1535 B14R2.10 CCc1cccc(n1)C2=COCC2 271570a_100000118173_100009856026 [0,0,1,0,1,0|2,0,0]=4 1536 B14R2.10 CCc1ccnc(c1)C2=CCCC2 271570a_100000089523_100009817561 [0,0,1,0,1,0|1,0,0]=3 1537 B14R2.10 CCc1ccnc(c1)C2=CCOC2 271570a_100009872500_100009817561 [0,0,1,0,1,0|2,0,0]=4 1538 B14R2.10 CCc1ccnc(c1)C2=COCC2 271570a_100000118173_100009817561 [0,0,1,0,1,0|2,0,0]=4 1539 B14R2.10 CCc1ccnc(n1)C2=CCCC2 271570a_100000089523_100000100215 [0,0,1,0,1,0|2,0,0]=4 1540 B14R2.10 CCc1cncc(c1)C2=CCCC2 271570a_100000089523_200009819073 [0,0,1,0,1,0|1,0,0]=3 1541 B14R2.10 CCc1cncc(c1)C2=CCOC2 271570a_100009872500_200009819073 [0,0,1,0,1,0|2,0,0]=4 1542 B14R2.10 CCc1cncc(c1)C2=COCC2 271570a_100000118173_200009819073 [0,0,1,0,1,0|2,0,0]=4 1543 B14R2.10 CNc1cc(ccn1)C2=CCCC2 271570a_100000089523_100009819592 [0,0,1,0,1,0|2,0,0]=4 1544 B14R2.10 CNc1cccc(c1)C2=CCCC2 271570a_100000089523_100000219648 [0,0,1,0,1,0|1,0,0]=3 1545 B14R2.10 CNc1cccc(c1)C2=CCOC2 271570a_100009872500_100000219648 [0,0,1,0,1,0|2,0,0]=4 1546 B14R2.10 CNc1cccc(c1)C2=COCC2 271570a_100000118173_100000219648 [0,0,1,0,1,0|2,0,0]=4 1547 B14R2.10 CNc1cccc(n1)C2=CCCC2 271570a_100000089523_100000703281 [0,0,1,0,1,0|2,0,0]=4 1548 B14R2.10 CNc1ccnc(c1)C2=CCCC2 271570a_100000089523_100009869472 [0,0,1,0,1,0|2,0,0]=4 1549 B14R2.10 CNc1cncc(c1)C2=CCCC2 271570a_100000089523_100012184536 [0,0,1,0,1,0|2,0,0]=4 1550 B14R2.10 COc1cc(ccn1)C2=CCCC2 271570a_100000089523_100000117307 [0,0,1,0,1,0|2,0,0]=4 1551 B14R2.10 COc1cccc(c1)C2=CCCC2 271570a_100000089523_100000170001 [0,0,1,0,1,0|1,0,0]=3 1552 B14R2.10 COc1cccc(c1)C2=CCOC2 271570a_100009872500_100000170001 [0,0,1,0,1,0|2,0,0]=4 1553 B14R2.10 COc1cccc(c1)C2=COCC2 271570a_100000118173_100000170001 [0,0,1,0,1,0|2,0,0]=4 1554 B14R2.10 COc1cccc(n1)C2=CCCC2 271570a_100000089523_100000760917 [0,0,1,0,1,0|2,0,0]=4 1555 B14R2.10 COc1ccnc(c1)C2=CCCC2 271570a_100000089523_100011216251 [0,0,1,0,1,0|2,0,0]=4 1556 B14R2.10 COc1cncc(c1)C2=CCCC2 271570a_100000089523_100000684773 [0,0,1,0,1,0|2,0,0]=4 1557 B14R2.10 CSc1cccc(c1)C2=CCCC2 271570a_100000089523_100011215954 [0,0,1,0,1,0|1,0,0]=3 1558 B14R2.10 CSc1cccc(c1)C2=CCCC2 62a_200000210301_200010203063 [0,0,1,0,1,0|1,0,0]=3 1559 B14R2.10 CSc1cccc(c1)C2=CCCC2 62a_200010203063_200000210301 [0,0,1,0,1,0|1,0,0]=3 1560 B14R2.10 CSc1cccc(c1)C2=CCOC2 271570a_100009872500_100011215954 [0,0,1,0,1,0|2,0,0]=4 1561 B14R2.10 CSc1cccc(c1)C2=COCC2 271570a_100000118173_100011215954 [0,0,1,0,1,0|2,0,0]=4 1562 B14R2.10 CSc1cccc(n1)C2=CCCC2 271570a_100000089523_100011960944 [0,0,1,0,1,0|2,0,0]=4 1563 B14R2.10 CSc1ccnc(c1)C2=CCCC2 271570a_100000089523_100010883326 [0,0,1,0,1,0|2,0,0]=4 1564 B14R2.10 CSc1cncc(c1)C2=CCCC2 271570a_100000089523_100009816972 [0,0,1,0,1,0|2,0,0]=4 1565 B14R2.10 FCc1cccc(c1)C2=CCCC2 271570a_100000089523_100010878472 [0,0,1,0,1,0|1,0,0]=3 1566 B14R2.10 FCc1cccc(c1)C2=CCOC2 271570a_100009872500_100010878472 [0,0,1,0,1,0|2,0,0]=4 1567 B14R2.10 FCc1cccc(c1)C2=COCC2 271570a_100000118173_100010878472 [0,0,1,0,1,0|2,0,0]=4 1568 B14R2.10 N#Cc1cccc(c1)C2=CCCC2 271570a_100000089523_100000189340 [0,0,1,0,1,0|1,0,1]=4 1569 B14R2.10 NCc1cc(ccn1)C2=CCCC2 271570a_100000089523_100000085674 [0,0,1,0,1,0|2,0,0]=4 1570 B14R2.10 NCc1cccc(c1)C2=CCCC2 271570a_100000089523_100000106179 [0,0,1,0,1,0|1,0,0]=3 1571 B14R2.10 NCc1cccc(c1)C2=CCOC2 271570a_100009872500_100000106179 [0,0,1,0,1,0|2,0,0]=4 1572 B14R2.10 NCc1cccc(c1)C2=COCC2 271570a_100000118173_100000106179 [0,0,1,0,1,0|2,0,0]=4 1573 B14R2.10 NCc1cccc(n1)C2=CCCC2 271570a_100000089523_100016990191 [0,0,1,0,1,0|2,0,0]=4 1574 B14R2.10 NCc1cncc(c1)C2=CCCC2 271570a_100000089523_100011249555 [0,0,1,0,1,0|2,0,0]=4 1575 B14R2.10 NNc1cccc(c1)C2=CCCC2 271570a_100000089523_100000217339 [0,0,1,0,1,0|2,0,0]=4 1576 B14R2.10 O=Cc1cccc(c1)C2=CCCC2 271570a_100000089523_100000014684 [0,0,1,0,1,0|1,0,1]=4 1577 B14R2.10 OCc1cc(ccn1)C2=CCCC2 271570a_100000089523_100009819072 [0,0,1,0,1,0|2,0,0]=4 1578 B14R2.10 OCc1cccc(c1)C2=CCCC2 271570a_100000089523_100000687537 [0,0,1,0,1,0|1,0,0]=3 1579 B14R2.10 OCc1cccc(c1)C2=CCOC2 271570a_100009872500_100000687537 [0,0,1,0,1,0|2,0,0]=4 1580 B14R2.10 OCc1cccc(c1)C2=COCC2 271570a_100000118173_100000687537 [0,0,1,0,1,0|2,0,0]=4 1581 B14R2.10 OCc1cccc(n1)C2=CCCC2 271570a_100000089523_100000694195 [0,0,1,0,1,0|2,0,0]=4 1582 B14R2.10 OCc1ccnc(c1)C2=CCCC2 271570a_100000089523_100009814636 [0,0,1,0,1,0|2,0,0]=4 1583 B14R2.10 OCc1cncc(c1)C2=CCCC2 271570a_100000089523_100011259137 [0,0,1,0,1,0|2,0,0]=4 1584 B14R2.10 [13CH3]Sc1cccc(c1)C2=CCCC2 62a_200010203063_200025704644 [0,0,1,0,1,0|1,0,0]=3 1585 B14R2.10 [13CH3]Sc1cccc(c1)C2=CCCC2 62a_200025704644_200010203063 [0,0,1,0,1,0|1,0,0]=3 1586 B14R2.14 CCc1ccsc1C2=CCCCC2 271570a_100000062251_200009875468 [0,0,1,0,1,0|2,0,0]=4 1587 B14R2.14 CCc1cscc1C2=CCCCC2 271570a_100000062251_100011068457 [0,0,1,0,1,0|2,0,0]=4 1588 B14R2.70 Brc1ccc(cc1Br)C2=CCCC2 271570a_100000089523_100012356285 [0,0,1,0,1,0|2,0,0]=4 1589 B14R2.70 Cc1cc(ccc1Br)C2=CCCC2 271570a_100000089523_100009813585 [0,0,1,0,1,0|1,0,0]=3 1590 B14R2.70 Cc1cc(ccc1Br)C2=CCOC2 271570a_100009872500_100009813585 [0,0,1,0,1,0|2,0,0]=4 1591 B14R2.70 Cc1cc(ccc1Br)C2=COCC2 271570a_100000118173_100009813585 [0,0,1,0,1,0|2,0,0]=4 1592 B14R2.70 Cc1cc(ccc1Cl)C2=CCCC2 271570a_100000089523_100000049509 [0,0,1,0,1,0|1,0,0]=3 1593 B14R2.70 Cc1cc(ccc1Cl)C2=CCOC2 271570a_100009872500_100000049509 [0,0,1,0,1,0|2,0,0]=4 1594 B14R2.70 Cc1cc(ccc1Cl)C2=COCC2 271570a_100000118173_100000049509 [0,0,1,0,1,0|2,0,0]=4 1595 B14R2.70 Cc1cc(ccc1F)C2=CCCC2 271570a_100000089523_100011218330 [0,0,1,0,1,0|1,0,0]=3 1596 B14R2.70 Cc1cc(ccc1F)C2=CCOC2 271570a_100009872500_100011218330 [0,0,1,0,1,0|2,0,0]=4 1597 B14R2.70 Cc1cc(ccc1F)C2=COCC2 271570a_100000118173_100011218330 [0,0,1,0,1,0|2,0,0]=4 1598 B14R2.70 Cc1cc(ccc1N)C2=CCCC2 271570a_100000089523_100000211769 [0,0,1,0,1,0|1,0,0]=3 1599 B14R2.70 Cc1cc(ccc1N)C2=CCOC2 271570a_100009872500_100000211769 [0,0,1,0,1,0|2,0,0]=4 1600 B14R2.70 Cc1cc(ccc1N)C2=COCC2 271570a_100000118173_100000211769 [0,0,1,0,1,0|2,0,0]=4 1601 B14R2.70 Cc1cc(ccc1O)C2=CCCC2 271570a_100000089523_100000186361 [0,0,1,0,1,0|1,0,0]=3 1602 B14R2.70 Cc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100000186361 [0,0,1,0,1,0|2,0,0]=4 1603 B14R2.70 Cc1cc(ccc1O)C2=COCC2 271570a_100000118173_100000186361 [0,0,1,0,1,0|2,0,0]=4 1604 B14R2.70 Cc1cc(cnc1Br)C2=CCCC2 271570a_100000089523_100009816107 [0,0,1,0,1,0|2,0,0]=4 1605 B14R2.70 Cc1cc(cnc1C)C2=CCCC2 271570a_100000089523_100000697892 [0,0,1,0,1,0|1,0,0]=3 1606 B14R2.70 Cc1cc(cnc1C)C2=CCOC2 271570a_100009872500_100000697892 [0,0,1,0,1,0|2,0,0]=4 1607 B14R2.70 Cc1cc(cnc1C)C2=COCC2 271570a_100000118173_100000697892 [0,0,1,0,1,0|2,0,0]=4 1608 B14R2.70 Cc1cc(cnc1Cl)C2=CCCC2 271570a_100000089523_100009922867 [0,0,1,0,1,0|2,0,0]=4 1609 B14R2.70 Cc1cc(cnc1F)C2=CCCC2 271570a_100000089523_100000709442 [0,0,1,0,1,0|2,0,0]=4 1610 B14R2.70 Cc1cc(cnc1N)C2=CCCC2 271570a_100000089523_100000186686 [0,0,1,0,1,0|2,0,0]=4 1611 B14R2.70 Cc1cc(cnc1O)C2=CCCC2 271570a_100000089523_100000685391 [0,0,1,0,1,0|2,0,0]=4 1612 B14R2.70 Cc1cc(ncc1Br)C2=CCCC2 271570a_100000089523_100012356354 [0,0,1,0,1,0|2,0,0]=4 1613 B14R2.70 Cc1cc(ncc1F)C2=CCCC2 271570a_100000089523_100009818257 [0,0,1,0,1,0|2,0,0]=4 1614 B14R2.70 Cc1cc(ncc1N)C2=CCCC2 271570a_100000089523_100000765520 [0,0,1,0,1,0|2,0,0]=4 1615 B14R2.70 Cc1cc(ncc1O)C2=CCCC2 271570a_100000089523_100000692680 [0,0,1,0,1,0|2,0,0]=4 1616 B14R2.70 Cc1ccc(c[n+]1[O-])C2=CCCC2 271570a_100000089523_100000703231 [0,0,1,0,1,0|2,0,0]=4 1617 B14R2.70 Cc1ccc(cc1Br)C2=CCCC2 271570a_100000089523_100011847877 [0,0,1,0,1,0|1,0,0]=3 1618 B14R2.70 Cc1ccc(cc1Br)C2=CCOC2 271570a_100009872500_100011847877 [0,0,1,0,1,0|2,0,0]=4 1619 B14R2.70 Cc1ccc(cc1Br)C2=COCC2 271570a_100000118173_100011847877 [0,0,1,0,1,0|2,0,0]=4 1620 B14R2.70 Cc1ccc(cc1C)C2=CCCC2 271570a_100000089523_100011215607 [0,0,1,0,1,0|0,0,0]=2 1621 B14R2.70 Cc1ccc(cc1C)C2=CCOC2 271570a_100009872500_100011215607 [0,0,1,0,1,0|1,0,0]=3 1622 B14R2.70 Cc1ccc(cc1C)C2=COCC2 271570a_100000118173_100011215607 [0,0,1,0,1,0|1,0,0]=3 1623 B14R2.70 Cc1ccc(cc1C)c2cc[nH]c2 271570a_100000102155_100011215607 [0,0,1,0,1,0|0,0,2]=4 1624 B14R2.70 Cc1ccc(cc1C)c2cc[nH]n2 271570a_100000062414_100011215607 [0,0,1,0,1,0|1,0,1]=4 1625 B14R2.70 Cc1ccc(cc1C)c2cc[nH]n2 271570a_100011217131_100000062575 [0,0,1,0,1,0|1,0,1]=4 1626 B14R2.70 Cc1ccc(cc1C)c2cn[nH]c2 271570a_100000041997_100011215607 [0,0,1,0,1,0|1,0,1]=4 1627 B14R2.70 Cc1ccc(cc1C)c2cn[nH]c2 271570a_100011217131_100000238712 [0,0,1,0,1,0|1,0,1]=4 1628 B14R2.70 Cc1ccc(cc1Cl)C2=CCCC2 271570a_100000089523_100011216363 [0,0,1,0,1,0|1,0,0]=3 1629 B14R2.70 Cc1ccc(cc1Cl)C2=CCOC2 271570a_100009872500_100011216363 [0,0,1,0,1,0|2,0,0]=4 1630 B14R2.70 Cc1ccc(cc1Cl)C2=COCC2 271570a_100000118173_100011216363 [0,0,1,0,1,0|2,0,0]=4 1631 B14R2.70 Cc1ccc(cc1F)C2=CCCC2 271570a_100000089523_100000720648 [0,0,1,0,1,0|1,0,0]=3 1632 B14R2.70 Cc1ccc(cc1F)C2=CCOC2 271570a_100009872500_100000720648 [0,0,1,0,1,0|2,0,0]=4 1633 B14R2.70 Cc1ccc(cc1F)C2=COCC2 271570a_100000118173_100000720648 [0,0,1,0,1,0|2,0,0]=4 1634 B14R2.70 Cc1ccc(cc1N)C2=CCCC2 271570a_100000089523_100000761890 [0,0,1,0,1,0|1,0,0]=3 1635 B14R2.70 Cc1ccc(cc1N)C2=CCOC2 271570a_100009872500_100000761890 [0,0,1,0,1,0|2,0,0]=4 1636 B14R2.70 Cc1ccc(cc1N)C2=COCC2 271570a_100000118173_100000761890 [0,0,1,0,1,0|2,0,0]=4 1637 B14R2.70 Cc1ccc(cc1O)C2=CCCC2 271570a_100000089523_100000766334 [0,0,1,0,1,0|1,0,0]=3 1638 B14R2.70 Cc1ccc(cc1O)C2=CCOC2 271570a_100009872500_100000766334 [0,0,1,0,1,0|2,0,0]=4 1639 B14R2.70 Cc1ccc(cc1O)C2=COCC2 271570a_100000118173_100000766334 [0,0,1,0,1,0|2,0,0]=4 1640 B14R2.70 Cc1ccc(nc1C)C2=CCCC2 271570a_100000089523_100000103781 [0,0,1,0,1,0|1,0,0]=3 1641 B14R2.70 Cc1ccc(nc1C)C2=CCOC2 271570a_100009872500_100000103781 [0,0,1,0,1,0|2,0,0]=4 1642 B14R2.70 Cc1ccc(nc1C)C2=COCC2 271570a_100000118173_100000103781 [0,0,1,0,1,0|2,0,0]=4 1643 B14R2.70 Cc1ccc(nc1N)C2=CCCC2 271570a_100000089523_100009857032 [0,0,1,0,1,0|2,0,0]=4 1644 B14R2.70 Cc1cnc(cc1C)C2=CCCC2 271570a_100000089523_100009850809 [0,0,1,0,1,0|1,0,0]=3 1645 B14R2.70 Cc1cnc(cc1C)C2=CCOC2 271570a_100009872500_100009850809 [0,0,1,0,1,0|2,0,0]=4 1646 B14R2.70 Cc1cnc(cc1C)C2=COCC2 271570a_100000118173_100009850809 [0,0,1,0,1,0|2,0,0]=4 1647 B14R2.70 Cc1cnc(cc1F)C2=CCCC2 271570a_100000089523_100009841206 [0,0,1,0,1,0|2,0,0]=4 1648 B14R2.70 Cc1cnc(cc1N)C2=CCCC2 271570a_100000089523_100000690170 [0,0,1,0,1,0|2,0,0]=4 1649 B14R2.70 Cc1cnc(cc1O)C2=CCCC2 271570a_100000089523_100000704368 [0,0,1,0,1,0|2,0,0]=4 1650 B14R2.70 Cc1nc(ccc1Br)C2=CCCC2 271570a_100000089523_100012360386 [0,0,1,0,1,0|2,0,0]=4 1651 B14R2.70 Cc1nc(ccc1F)C2=CCCC2 271570a_100000089523_100009814307 [0,0,1,0,1,0|2,0,0]=4 1652 B14R2.70 Cc1nc(ccc1N)C2=CCCC2 271570a_100000089523_100000760127 [0,0,1,0,1,0|2,0,0]=4 1653 B14R2.70 Cc1nc(ccc1O)C2=CCCC2 271570a_100000089523_100010233687 [0,0,1,0,1,0|2,0,0]=4 1654 B14R2.70 Cc1ncc(cc1F)C2=CCCC2 271570a_100000089523_100009845756 [0,0,1,0,1,0|2,0,0]=4 1655 B14R2.70 Cc1ncc(cc1N)C2=CCCC2 271570a_100000089523_100011999542 [0,0,1,0,1,0|2,0,0]=4 1656 B14R2.70 Cc1ncc(cc1O)C2=CCCC2 271570a_100000089523_100009864810 [0,0,1,0,1,0|2,0,0]=4 1657 B14R2.70 Cc1ncc(nc1C)C2=CCCC2 271570a_100000089523_100009878948 [0,0,1,0,1,0|2,0,0]=4 1658 B14R2.70 Clc1cc(ccc1Br)C2=CCCC2 271570a_100000089523_100012047281 [0,0,1,0,1,0|2,0,0]=4 1659 B14R2.70 Clc1ccc(cc1Br)C2=CCCC2 271570a_100000089523_100012353702 [0,0,1,0,1,0|2,0,0]=4 1660 B14R2.70 Clc1ccc(cc1Cl)C2=CCCC2 271570a_100000089523_100011214914 [0,0,1,0,1,0|2,0,0]=4 1661 B14R2.70 Cn1cc(ccc1=O)C2=CCCC2 271570a_100000089523_100011245003 [0,0,1,0,1,0|2,0,0]=4 1662 B14R2.70 Cn1ccc(cc1=O)C2=CCCC2 271570a_100000089523_100009820031 [0,0,1,0,1,0|2,0,0]=4 1663 B14R2.70 Fc1cc(ccc1Br)C2=CCCC2 271570a_100000089523_100000685389 [0,0,1,0,1,0|2,0,0]=4 1664 B14R2.70 Fc1cc(ccc1Cl)C2=CCCC2 271570a_100000089523_100011216805 [0,0,1,0,1,0|2,0,0]=4 1665 B14R2.70 Fc1ccc(cc1Br)C2=CCCC2 271570a_100000089523_100012047266 [0,0,1,0,1,0|2,0,0]=4 1666 B14R2.70 Fc1ccc(cc1Cl)C2=CCCC2 271570a_100000089523_100011215976 [0,0,1,0,1,0|2,0,0]=4 1667 B14R2.70 Fc1ccc(cc1F)C2=CCCC2 271570a_100000089523_100000750028 [0,0,1,0,1,0|2,0,0]=4 1668 B14R2.70 Nc1cc(ccc1Br)C2=CCCC2 271570a_100000089523_100000750456 [0,0,1,0,1,0|2,0,0]=4 1669 B14R2.70 Nc1cc(ccc1Cl)C2=CCCC2 271570a_100000089523_200000761891 [0,0,1,0,1,0|2,0,0]=4 1670 B14R2.70 Nc1cc(ccc1F)C2=CCCC2 271570a_100000089523_100000740924 [0,0,1,0,1,0|2,0,0]=4 1671 B14R2.70 Nc1cc(ccc1O)C2=CCCC2 271570a_100000089523_100000752626 [0,0,1,0,1,0|2,0,0]=4 1672 B14R2.70 Nc1ccc(cc1Br)C2=CCCC2 271570a_100000089523_100000750455 [0,0,1,0,1,0|2,0,0]=4 1673 B14R2.70 Nc1ccc(cc1Cl)C2=CCCC2 271570a_100000089523_100011218065 [0,0,1,0,1,0|2,0,0]=4 1674 B14R2.70 Nc1ccc(cc1F)C2=CCCC2 271570a_100000089523_100011215594 [0,0,1,0,1,0|2,0,0]=4 1675 B14R2.70 Nc1ccc(cc1N)C2=CCCC2 271570a_100000089523_100000741789 [0,0,1,0,1,0|2,0,0]=4 1676 B14R2.70 Nc1ccc(cc1O)C2=CCCC2 271570a_100000089523_100000739049 [0,0,1,0,1,0|2,0,0]=4 1677 B14R2.70 Oc1cc(ccc1Br)C2=CCCC2 271570a_100000089523_100012356990 [0,0,1,0,1,0|2,0,0]=4 1678 B14R2.70 Oc1cc(ccc1Cl)C2=CCCC2 271570a_100000089523_100011356854 [0,0,1,0,1,0|2,0,0]=4 1679 B14R2.70 Oc1cc(ccc1F)C2=CCCC2 271570a_100000089523_100000686035 [0,0,1,0,1,0|2,0,0]=4 1680 B14R2.70 Oc1ccc(cc1Br)C2=CCCC2 271570a_100000089523_100012361655 [0,0,1,0,1,0|2,0,0]=4 1681 B14R2.70 Oc1ccc(cc1Cl)C2=CCCC2 271570a_100000089523_100012360047 [0,0,1,0,1,0|2,0,0]=4 1682 B14R2.70 Oc1ccc(cc1F)C2=CCCC2 271570a_100000089523_100000185481 [0,0,1,0,1,0|2,0,0]=4 1683 B14R2.70 Oc1ccc(cc1O)C2=CCCC2 271570a_100000089523_100009813601 [0,0,1,0,1,0|2,0,0]=4 1684 B14R2.260 Cc1cc(sc1C)C2=CCCCC2 271570a_100000062251_100009850898 [0,0,1,0,1,0|2,0,0]=4 1685 B14R2.4514 Cc1scc(c1C)C2=CCCCC2 271570a_100000062251_100009820295 [0,0,1,0,1,0|2,0,0]=4 1686 B16R2.3080 CCc1ccc(cc1)C2=CCCCCC2 271570a_200009888920_100011215824 [0,0,1,0,0,1|1,0,0]=3 1687 B16R2.3080 CCc1ccc(cn1)C2=CCCCCC2 271570a_200009888920_100009820025 [0,0,1,0,0,1|2,0,0]=4 1688 B16R2.3080 CCc1ccc(nc1)C2=CCCCCC2 271570a_200009888920_100009843584 [0,0,1,0,0,1|2,0,0]=4 1689 B16R2.3080 CNc1ccc(cc1)C2=CCCCCC2 271570a_200009888920_100000219623 [0,0,1,0,0,1|2,0,0]=4 1690 B16R2.3080 COc1ccc(cc1)C2=CCCCCC2 271570a_200009888920_100000171711 [0,0,1,0,0,1|2,0,0]=4 1691 B16R2.3080 CSc1ccc(cc1)C2=CCCCCC2 271570a_200009888920_100011263217 [0,0,1,0,0,1|2,0,0]=4 1692 B16R2.3080 FCc1ccc(cc1)C2=CCCCCC2 271570a_200009888920_100010268989 [0,0,1,0,0,1|2,0,0]=4 1693 B16R2.3080 NCc1ccc(cc1)C2=CCCCCC2 271570a_200009888920_100016989417 [0,0,1,0,0,1|2,0,0]=4 1694 B16R2.3080 OCc1ccc(cc1)C2=CCCCCC2 271570a_200009888920_100000690907 [0,0,1,0,0,1|2,0,0]=4 1695 B16R2.7399 CCc1cc(ccn1)C2=CCCCCC2 271570a_200009888920_100009820011 [0,0,1,0,0,1|2,0,0]=4 1696 B16R2.7399 CCc1cccc(c1)C2=CCCCCC2 271570a_200009888920_100000684523 [0,0,1,0,0,1|1,0,0]=3 1697 B16R2.7399 CCc1cccc(n1)C2=CCCCCC2 271570a_200009888920_100009856026 [0,0,1,0,0,1|2,0,0]=4 1698 B16R2.7399 CCc1ccnc(c1)C2=CCCCCC2 271570a_200009888920_100009817561 [0,0,1,0,0,1|2,0,0]=4 1699 B16R2.7399 CCc1cncc(c1)C2=CCCCCC2 271570a_200009888920_200009819073 [0,0,1,0,0,1|2,0,0]=4 1700 B16R2.7399 CNc1cccc(c1)C2=CCCCCC2 271570a_200009888920_100000219648 [0,0,1,0,0,1|2,0,0]=4 1701 B16R2.7399 COc1cccc(c1)C2=CCCCCC2 271570a_200009888920_100000170001 [0,0,1,0,0,1|2,0,0]=4 1702 B16R2.7399 CSc1cccc(c1)C2=CCCCCC2 271570a_200009888920_100011215954 [0,0,1,0,0,1|2,0,0]=4 1703 B16R2.7399 FCc1cccc(c1)C2=CCCCCC2 271570a_200009888920_100010878472 [0,0,1,0,0,1|2,0,0]=4 1704 B16R2.7399 NCc1cccc(c1)C2=CCCCCC2 271570a_200009888920_100000106179 [0,0,1,0,0,1|2,0,0]=4 1705 B16R2.7399 OCc1cccc(c1)C2=CCCCCC2 271570a_200009888920_100000687537 [0,0,1,0,0,1|2,0,0]=4 1706 B16R2.33213 Cc1cc(ccc1Br)C2=CCCCCC2 271570a_200009888920_100009813585 [0,0,1,0,0,1|2,0,0]=4 1707 B16R2.33213 Cc1cc(ccc1Cl)C2=CCCCCC2 271570a_200009888920_100000049509 [0,0,1,0,0,1|2,0,0]=4 1708 B16R2.33213 Cc1cc(ccc1F)C2=CCCCCC2 271570a_200009888920_100011218330 [0,0,1,0,0,1|2,0,0]=4 1709 B16R2.33213 Cc1cc(ccc1N)C2=CCCCCC2 271570a_200009888920_100000211769 [0,0,1,0,0,1|2,0,0]=4 1710 B16R2.33213 Cc1cc(ccc1O)C2=CCCCCC2 271570a_200009888920_100000186361 [0,0,1,0,0,1|2,0,0]=4 1711 B16R2.33213 Cc1cc(cnc1C)C2=CCCCCC2 271570a_200009888920_100000697892 [0,0,1,0,0,1|2,0,0]=4 1712 B16R2.33213 Cc1ccc(cc1Br)C2=CCCCCC2 271570a_200009888920_100011847877 [0,0,1,0,0,1|2,0,0]=4 1713 B16R2.33213 Cc1ccc(cc1C)C2=CCCCCC2 271570a_200009888920_100011215607 [0,0,1,0,0,1|1,0,0]=3 1714 B16R2.33213 Cc1ccc(cc1Cl)C2=CCCCCC2 271570a_200009888920_100011216363 [0,0,1,0,0,1|2,0,0]=4 1715 B16R2.33213 Cc1ccc(cc1F)C2=CCCCCC2 271570a_200009888920_100000720648 [0,0,1,0,0,1|2,0,0]=4 1716 B16R2.33213 Cc1ccc(cc1N)C2=CCCCCC2 271570a_200009888920_100000761890 [0,0,1,0,0,1|2,0,0]=4 1717 B16R2.33213 Cc1ccc(cc1O)C2=CCCCCC2 271570a_200009888920_100000766334 [0,0,1,0,0,1|2,0,0]=4 1718 B16R2.33213 Cc1ccc(nc1C)C2=CCCCCC2 271570a_200009888920_100000103781 [0,0,1,0,0,1|2,0,0]=4 1719 B16R2.33213 Cc1cnc(cc1C)C2=CCCCCC2 271570a_200009888920_100009850809 [0,0,1,0,0,1|2,0,0]=4 1720 B16R2.2122 CCCCC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_100000210211 [0,0,1,0,0,1|2,0,0]=4 1721 B16R2.2122 CCCCC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_100000210211 [0,0,1,0,0,1|2,0,0]=4 1722 B16R2.2122 CCNCC(=O)c1ccc2c(c1)CCO2 2230a_100015525214_100000241338 [0,0,1,0,0,1|1,0,0]=3 1723 B16R2.2122 CCNN=C(C)c1ccc2c(c1)CCC2 4a_100000756455_100000203790 [0,0,1,0,0,1|1,0,1]=4 1724 B16R2.2122 CCNN=C(C)c1ccc2c(c1)CCN2 4a_100000756455_100011202903 [0,0,1,0,0,1|1,0,1]=4 1725 B16R2.2122 CCNN=C(C)c1ccc2c(c1)CCO2 4a_100000756455_100000241315 [0,0,1,0,0,1|1,0,1]=4 1726 B16R2.2122 CCNN=C(C)c1ccc2c(c1)OCC2 4a_100000756455_100000143635 [0,0,1,0,0,1|1,0,1]=4 1727 B16R2.2122 CCNNC(=O)c1ccc2c(c1)CCC2 22a_100000756455_100000195560 [0,0,1,0,0,1|2,0,0]=4 1728 B16R2.2122 CCNNC(=O)c1ccc2c(c1)CCO2 22a_100000756455_100011207309 [0,0,1,0,0,1|2,0,0]=4 1729 B16R2.2122 CCOCC(=O)c1ccc2c(c1)CCO2 34a_100121572206_100000241338 [0,0,1,0,0,1|2,0,0]=4 1730 B16R2.2122 CCSCC(=O)c1ccc2c(c1)CCO2 62a_100000210202_100000241338 [0,0,1,0,0,1|2,0,0]=4 1731 B16R2.2122 CCSCC(=O)c1ccc2c(c1)CCO2 62a_100000241338_100000210202 [0,0,1,0,0,1|2,0,0]=4 1732 B16R2.3136 C=CCNCCc1ccc2c(c1)CCO2 2230a_100020586998_100000763274 [0,0,1,0,0,1|0,0,2]=4 1733 B16R2.3136 CCCCC=Cc1cc2c(cn1)CCN2 271570a_100016275911_100020639910 [0,0,1,0,0,1|2,0,0]=4 1734 B16R2.3136 CCCCC=Cc1cc2c(cn1)CNC2 271570a_100016275911_100020645637 [0,0,1,0,0,1|2,0,0]=4 1735 B16R2.3136 CCCCC=Cc1cc2c(cn1)NCC2 271570a_100016275911_100009884275 [0,0,1,0,0,1|2,0,0]=4 1736 B16R2.3136 CCCCC=Cc1cc2c(cn1)OCC2 271570a_100016275911_102495363667 [0,0,1,0,0,1|2,0,0]=4 1737 B16R2.3136 CCCCC=Cc1ccc2c(c1)C=CC2 271570a_100016275911_100009814306 [0,0,1,0,0,1|1,0,1]=4 1738 B16R2.3136 CCCCC=Cc1ccc2c(c1)CC=C2 271570a_100016275911_200009818231 [0,0,1,0,0,1|1,0,1]=4 1739 B16R2.3136 CCCCC=Cc1ccc2c(c1)CCC2 271570a_100016275911_100000745594 [0,0,1,0,0,1|1,0,0]=3 1740 B16R2.3136 CCCCC=Cc1ccc2c(c1)CCN2 271570a_100016275911_100000026929 [0,0,1,0,0,1|1,0,0]=3 1741 B16R2.3136 CCCCC=Cc1ccc2c(c1)CCO2 271570a_100016275911_100000729065 [0,0,1,0,0,1|1,0,0]=3 1742 B16R2.3136 CCCCC=Cc1ccc2c(c1)CNC2 271570a_100016275911_100000702344 [0,0,1,0,0,1|1,0,0]=3 1743 B16R2.3136 CCCCC=Cc1ccc2c(c1)COC2 271570a_100016275911_100000698232 [0,0,1,0,0,1|1,0,0]=3 1744 B16R2.3136 CCCCC=Cc1ccc2c(c1)NCC2 271570a_100016275911_100000754641 [0,0,1,0,0,1|1,0,0]=3 1745 B16R2.3136 CCCCC=Cc1ccc2c(c1)OCC2 271570a_100016275911_100009818566 [0,0,1,0,0,1|1,0,0]=3 1746 B16R2.3136 CCCCC=Cc1ccc2c(c1)OCO2 271570a_100016275911_100000688060 [0,0,1,0,0,1|2,0,0]=4 1747 B16R2.3136 CCCCC=Cc1ccc2c(n1)CCC2 271570a_100016275911_100000046531 [0,0,1,0,0,1|2,0,0]=4 1748 B16R2.3136 CCCCC=Cc1ccc2c(n1)CCN2 271570a_100016275911_100009872833 [0,0,1,0,0,1|2,0,0]=4 1749 B16R2.3136 CCCCC=Cc1ccc2c(n1)CNC2 271570a_100016275911_100016995040 [0,0,1,0,0,1|2,0,0]=4 1750 B16R2.3136 CCCCC=Cc1cnc2c(c1)CCC2 271570a_100016275911_100000693888 [0,0,1,0,0,1|2,0,0]=4 1751 B16R2.3136 CCCCC=Cc1cnc2c(c1)CCN2 271570a_100016275911_100009817725 [0,0,1,0,0,1|2,0,0]=4 1752 B16R2.3136 CCCCC=Cc1cnc2c(c1)NCC2 271570a_100016275911_100000698607 [0,0,1,0,0,1|2,0,0]=4 1753 B16R2.3136 CCCNN=Cc1ccc2c(c1)CCC2 4a_100000740057_100000765347 [0,0,1,0,0,1|1,0,1]=4 1754 B16R2.3136 CCCNN=Cc1ccc2c(c1)CCO2 4a_100000740057_100011218456 [0,0,1,0,0,1|1,0,1]=4 1755 B16R2.3136 FCCNCCc1ccc2c(c1)CCO2 34a_100000724931_100000763274 [0,0,1,0,0,1|1,0,1]=4 1756 B16R2.3136 OCCNCCc1ccc2c(c1)CCO2 2230a_100016997473_100000763274 [0,0,1,0,0,1|1,0,1]=4 1757 B16R2.3136 OCCNCCc1ccc2c(c1)CCO2 34a_100016990907_100000763274 [0,0,1,0,0,1|1,0,1]=4 1758 B16R2.3136 OCCNN=Cc1ccc2c(c1)CCC2 4a_100000210001_100000765347 [0,0,1,0,0,1|2,0,0]=4 1759 B16R2.3136 OCCNN=Cc1ccc2c(c1)CCO2 4a_100000210001_100011218456 [0,0,1,0,0,1|2,0,0]=4 1760 B16R3.1779 C1=C(CCC1)c2cc3c(cn2)CCN3 271570a_100000089523_100020639910 [0,0,0,0,1,1|1,0,0]=3 1761 B16R3.1779 C1=C(CCC1)c2cc3c(cn2)CNC3 271570a_100000089523_100020645637 [0,0,0,0,1,1|1,0,0]=3 1762 B16R3.1779 C1=C(CCC1)c2cc3c(cn2)NCC3 271570a_100000089523_100009884275 [0,0,0,0,1,1|1,0,0]=3 1763 B16R3.1779 C1=C(CCC1)c2cc3c(cn2)OCC3 271570a_100000089523_102495363667 [0,0,0,0,1,1|1,0,0]=3 1764 B16R3.1779 C1=C(CCC1)c2ccc3[nH]ccc3c2 271570a_100000089523_100000211741 [0,0,0,0,1,1|0,0,2]=4 1765 B16R3.1779 C1=C(CCC1)c2ccc3[nH]cnc3c2 271570a_100000089523_100011265325 [0,0,0,0,1,1|1,0,1]=4 1766 B16R3.1779 C1=C(CCC1)c2ccc3[nH]ncc3c2 271570a_100000089523_100000049815 [0,0,0,0,1,1|1,0,1]=4 1767 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)CCC3 271570a_100000089523_100000745594 [0,0,0,0,1,1|0,0,0]=2 1768 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)CCN3 271570a_100000089523_100000026929 [0,0,0,0,1,1|0,0,0]=2 1769 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)CCO3 271570a_100000089523_100000729065 [0,0,0,0,1,1|0,0,0]=2 1770 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)CNC3 271570a_100000089523_100000702344 [0,0,0,0,1,1|0,0,0]=2 1771 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)COC3 271570a_100000089523_100000698232 [0,0,0,0,1,1|0,0,0]=2 1772 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)NCC3 271570a_100000089523_100000754641 [0,0,0,0,1,1|0,0,0]=2 1773 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)OCC3 271570a_100000089523_100009818566 [0,0,0,0,1,1|0,0,0]=2 1774 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)OCO3 271570a_100000089523_100000688060 [0,0,0,0,1,1|1,0,0]=3 1775 B16R3.1779 C1=C(CCC1)c2ccc3c(n2)CCC3 271570a_100000089523_100000046531 [0,0,0,0,1,1|1,0,0]=3 1776 B16R3.1779 C1=C(CCC1)c2ccc3c(n2)CCN3 271570a_100000089523_100009872833 [0,0,0,0,1,1|1,0,0]=3 1777 B16R3.1779 C1=C(CCC1)c2ccc3c(n2)CNC3 271570a_100000089523_100016995040 [0,0,0,0,1,1|1,0,0]=3 1778 B16R3.1779 C1=C(CCC1)c2ccc3cc[nH]c3c2 271570a_100000089523_100000743809 [0,0,0,0,1,1|0,0,2]=4 1779 B16R3.1779 C1=C(CCC1)c2ccc3ccoc3c2 271570a_100000089523_100000759542 [0,0,0,0,1,1|0,0,2]=4 1780 B16R3.1779 C1=C(CCC1)c2ccc3ccsc3c2 271570a_100000089523_100009888917 [0,0,0,0,1,1|0,0,2]=4 1781 B16R3.1779 C1=C(CCC1)c2ccc3cn[nH]c3c2 271570a_100000089523_100000049514 [0,0,0,0,1,1|1,0,1]=4 1782 B16R3.1779 C1=C(CCC1)c2ccc3cnoc3c2 271570a_100000089523_100009817722 [0,0,0,0,1,1|1,0,1]=4 1783 B16R3.1779 C1=C(CCC1)c2ccc3cscc3c2 271570a_100000089523_200010760811 [0,0,0,0,1,1|0,0,2]=4 1784 B16R3.1779 C1=C(CCC1)c2ccc3csnc3c2 271570a_100000089523_100010170880 [0,0,0,0,1,1|1,0,1]=4 1785 B16R3.1779 C1=C(CCC1)c2ccc3ncoc3c2 271570a_100000089523_100009817590 [0,0,0,0,1,1|1,0,1]=4 1786 B16R3.1779 C1=C(CCC1)c2ccc3ncsc3c2 271570a_100000089523_100009816678 [0,0,0,0,1,1|1,0,1]=4 1787 B16R3.1779 C1=C(CCC1)c2ccc3nn[nH]c3c2 271570a_100000089523_100009817464 [0,0,0,0,1,1|2,0,0]=4 1788 B16R3.1779 C1=C(CCC1)c2ccc3nonc3c2 271570a_100000089523_100009814275 [0,0,0,0,1,1|2,0,0]=4 1789 B16R3.1779 C1=C(CCC1)c2ccc3nsnc3c2 271570a_100000089523_100009814274 [0,0,0,0,1,1|2,0,0]=4 1790 B16R3.1779 C1=C(CCC1)c2ccc3occc3c2 271570a_100000089523_100012343831 [0,0,0,0,1,1|0,0,2]=4 1791 B16R3.1779 C1=C(CCC1)c2ccc3ocnc3c2 271570a_100000089523_100009816175 [0,0,0,0,1,1|1,0,1]=4 1792 B16R3.1779 C1=C(CCC1)c2ccc3oncc3c2 271570a_100000089523_100009817723 [0,0,0,0,1,1|1,0,1]=4 1793 B16R3.1779 C1=C(CCC1)c2ccc3sccc3c2 271570a_100000089523_100009814439 [0,0,0,0,1,1|0,0,2]=4 1794 B16R3.1779 C1=C(CCC1)c2ccc3scnc3c2 271570a_100000089523_100010005895 [0,0,0,0,1,1|1,0,1]=4 1795 B16R3.1779 C1=C(CCC1)c2cnc3c(c2)CCC3 271570a_100000089523_100000693888 [0,0,0,0,1,1|1,0,0]=3 1796 B16R3.1779 C1=C(CCC1)c2cnc3c(c2)CCN3 271570a_100000089523_100009817725 [0,0,0,0,1,1|1,0,0]=3 1797 B16R3.1779 C1=C(CCC1)c2cnc3c(c2)NCC3 271570a_100000089523_100000698607 [0,0,0,0,1,1|1,0,0]=3 1798 B16R3.1779 C1=C(CCC1)c2ncc3c(n2)CCC3 271570a_100000089523_100009881048 [0,0,0,0,1,1|2,0,0]=4 1799 B16R3.1779 C1=C(CCO1)c2cc3c(cn2)CCN3 271570a_100000118173_100020639910 [0,0,0,0,1,1|2,0,0]=4 1800 B16R3.1779 C1=C(CCO1)c2cc3c(cn2)CNC3 271570a_100000118173_100020645637 [0,0,0,0,1,1|2,0,0]=4 1801 B16R3.1779 C1=C(CCO1)c2cc3c(cn2)NCC3 271570a_100000118173_100009884275 [0,0,0,0,1,1|2,0,0]=4 1802 B16R3.1779 C1=C(CCO1)c2cc3c(cn2)OCC3 271570a_100000118173_102495363667 [0,0,0,0,1,1|2,0,0]=4 1803 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)CCC3 271570a_100000118173_100000745594 [0,0,0,0,1,1|1,0,0]=3 1804 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)CCN3 271570a_100000118173_100000026929 [0,0,0,0,1,1|1,0,0]=3 1805 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)CCO3 271570a_100000118173_100000729065 [0,0,0,0,1,1|1,0,0]=3 1806 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)CNC3 271570a_100000118173_100000702344 [0,0,0,0,1,1|1,0,0]=3 1807 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)COC3 271570a_100000118173_100000698232 [0,0,0,0,1,1|1,0,0]=3 1808 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)NCC3 271570a_100000118173_100000754641 [0,0,0,0,1,1|1,0,0]=3 1809 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)OCC3 271570a_100000118173_100009818566 [0,0,0,0,1,1|1,0,0]=3 1810 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)OCO3 271570a_100000118173_100000688060 [0,0,0,0,1,1|2,0,0]=4 1811 B16R3.1779 C1=C(CCO1)c2ccc3c(n2)CCC3 271570a_100000118173_100000046531 [0,0,0,0,1,1|2,0,0]=4 1812 B16R3.1779 C1=C(CCO1)c2ccc3c(n2)CCN3 271570a_100000118173_100009872833 [0,0,0,0,1,1|2,0,0]=4 1813 B16R3.1779 C1=C(CCO1)c2ccc3c(n2)CNC3 271570a_100000118173_100016995040 [0,0,0,0,1,1|2,0,0]=4 1814 B16R3.1779 C1=C(CCO1)c2cnc3c(c2)CCC3 271570a_100000118173_100000693888 [0,0,0,0,1,1|2,0,0]=4 1815 B16R3.1779 C1=C(CCO1)c2cnc3c(c2)CCN3 271570a_100000118173_100009817725 [0,0,0,0,1,1|2,0,0]=4 1816 B16R3.1779 C1=C(CCO1)c2cnc3c(c2)NCC3 271570a_100000118173_100000698607 [0,0,0,0,1,1|2,0,0]=4 1817 B16R3.1779 C1=C(COC1)c2cc3c(cn2)CCN3 271570a_100009872500_100020639910 [0,0,0,0,1,1|2,0,0]=4 1818 B16R3.1779 C1=C(COC1)c2cc3c(cn2)CNC3 271570a_100009872500_100020645637 [0,0,0,0,1,1|2,0,0]=4 1819 B16R3.1779 C1=C(COC1)c2cc3c(cn2)NCC3 271570a_100009872500_100009884275 [0,0,0,0,1,1|2,0,0]=4 1820 B16R3.1779 C1=C(COC1)c2cc3c(cn2)OCC3 271570a_100009872500_102495363667 [0,0,0,0,1,1|2,0,0]=4 1821 B16R3.1779 C1=C(COC1)c2ccc3c(c2)CCC3 271570a_100009872500_100000745594 [0,0,0,0,1,1|1,0,0]=3 1822 B16R3.1779 C1=C(COC1)c2ccc3c(c2)CCN3 271570a_100009872500_100000026929 [0,0,0,0,1,1|1,0,0]=3 1823 B16R3.1779 C1=C(COC1)c2ccc3c(c2)CCO3 271570a_100009872500_100000729065 [0,0,0,0,1,1|1,0,0]=3 1824 B16R3.1779 C1=C(COC1)c2ccc3c(c2)CNC3 271570a_100009872500_100000702344 [0,0,0,0,1,1|1,0,0]=3 1825 B16R3.1779 C1=C(COC1)c2ccc3c(c2)COC3 271570a_100009872500_100000698232 [0,0,0,0,1,1|1,0,0]=3 1826 B16R3.1779 C1=C(COC1)c2ccc3c(c2)NCC3 271570a_100009872500_100000754641 [0,0,0,0,1,1|1,0,0]=3 1827 B16R3.1779 C1=C(COC1)c2ccc3c(c2)OCC3 271570a_100009872500_100009818566 [0,0,0,0,1,1|1,0,0]=3 1828 B16R3.1779 C1=C(COC1)c2ccc3c(c2)OCO3 271570a_100009872500_100000688060 [0,0,0,0,1,1|2,0,0]=4 1829 B16R3.1779 C1=C(COC1)c2ccc3c(n2)CCC3 271570a_100009872500_100000046531 [0,0,0,0,1,1|2,0,0]=4 1830 B16R3.1779 C1=C(COC1)c2ccc3c(n2)CCN3 271570a_100009872500_100009872833 [0,0,0,0,1,1|2,0,0]=4 1831 B16R3.1779 C1=C(COC1)c2ccc3c(n2)CNC3 271570a_100009872500_100016995040 [0,0,0,0,1,1|2,0,0]=4 1832 B16R3.1779 C1=C(COC1)c2cnc3c(c2)CCC3 271570a_100009872500_100000693888 [0,0,0,0,1,1|2,0,0]=4 1833 B16R3.1779 C1=C(COC1)c2cnc3c(c2)CCN3 271570a_100009872500_100009817725 [0,0,0,0,1,1|2,0,0]=4 1834 B16R3.1779 C1=C(COC1)c2cnc3c(c2)NCC3 271570a_100009872500_100000698607 [0,0,0,0,1,1|2,0,0]=4 1835 B16R3.1779 C1=Cc2cc(ccc2C1)C3=CCCC3 271570a_100000089523_100009814306 [0,0,0,0,1,1|0,0,1]=3 1836 B16R3.1779 C1=Cc2cc(ccc2C1)C3=CCOC3 271570a_100009872500_100009814306 [0,0,0,0,1,1|1,0,1]=4 1837 B16R3.1779 C1=Cc2cc(ccc2C1)C3=COCC3 271570a_100000118173_100009814306 [0,0,0,0,1,1|1,0,1]=4 1838 B16R3.1779 C1=Cc2ccc(cc2C1)C3=CCCC3 271570a_100000089523_200009818231 [0,0,0,0,1,1|0,0,1]=3 1839 B16R3.1779 C1=Cc2ccc(cc2C1)C3=CCOC3 271570a_100009872500_200009818231 [0,0,0,0,1,1|1,0,1]=4 1840 B16R3.1779 C1=Cc2ccc(cc2C1)C3=COCC3 271570a_100000118173_200009818231 [0,0,0,0,1,1|1,0,1]=4 1841 B16R3.1779 c1cc(c[nH]1)c2ccc3c(c2)CCC3 271570a_100000102155_100000745594 [0,0,0,0,1,1|0,0,2]=4 1842 B16R3.1779 c1cc(c[nH]1)c2ccc3c(c2)CCN3 271570a_100000102155_100000026929 [0,0,0,0,1,1|0,0,2]=4 1843 B16R3.1779 c1cc(c[nH]1)c2ccc3c(c2)CCO3 271570a_100000102155_100000729065 [0,0,0,0,1,1|0,0,2]=4 1844 B16R3.1779 c1cc(c[nH]1)c2ccc3c(c2)CNC3 271570a_100000102155_100000702344 [0,0,0,0,1,1|0,0,2]=4 1845 B16R3.1779 c1cc(c[nH]1)c2ccc3c(c2)COC3 271570a_100000102155_100000698232 [0,0,0,0,1,1|0,0,2]=4 1846 B16R3.1779 c1cc(c[nH]1)c2ccc3c(c2)NCC3 271570a_100000102155_100000754641 [0,0,0,0,1,1|0,0,2]=4 1847 B16R3.1779 c1cc(c[nH]1)c2ccc3c(c2)OCC3 271570a_100000102155_100009818566 [0,0,0,0,1,1|0,0,2]=4 1848 B16R3.1779 c1cc(n[nH]1)c2ccc3c(c2)CCC3 271570a_100000062414_100000745594 [0,0,0,0,1,1|1,0,1]=4 1849 B16R3.1779 c1cc(n[nH]1)c2ccc3c(c2)CCN3 271570a_100000062414_100000026929 [0,0,0,0,1,1|1,0,1]=4 1850 B16R3.1779 c1cc(n[nH]1)c2ccc3c(c2)CCO3 271570a_100000062414_100000729065 [0,0,0,0,1,1|1,0,1]=4 1851 B16R3.1779 c1cc(n[nH]1)c2ccc3c(c2)CCO3 271570a_100011216065_100000062575 [0,0,0,0,1,1|1,0,1]=4 1852 B16R3.1779 c1cc(n[nH]1)c2ccc3c(c2)CNC3 271570a_100000062414_100000702344 [0,0,0,0,1,1|1,0,1]=4 1853 B16R3.1779 c1cc(n[nH]1)c2ccc3c(c2)COC3 271570a_100000062414_100000698232 [0,0,0,0,1,1|1,0,1]=4 1854 B16R3.1779 c1cc(n[nH]1)c2ccc3c(c2)NCC3 271570a_100000062414_100000754641 [0,0,0,0,1,1|1,0,1]=4 1855 B16R3.1779 c1cc(n[nH]1)c2ccc3c(c2)OCC3 271570a_100000062414_100009818566 [0,0,0,0,1,1|1,0,1]=4 1856 B16R3.1779 c1cc(n[nH]1)c2ccc3c(c2)OCC3 271570a_100010232071_100000062575 [0,0,0,0,1,1|1,0,1]=4 1857 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)CCC2 271570a_100000041997_100000745594 [0,0,0,0,1,1|1,0,1]=4 1858 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)CCN2 271570a_100000041997_100000026929 [0,0,0,0,1,1|1,0,1]=4 1859 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)CCO2 271570a_100000041997_100000729065 [0,0,0,0,1,1|1,0,1]=4 1860 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)CCO2 271570a_100011216065_100000238712 [0,0,0,0,1,1|1,0,1]=4 1861 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)CNC2 271570a_100000041997_100000702344 [0,0,0,0,1,1|1,0,1]=4 1862 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)COC2 271570a_100000041997_100000698232 [0,0,0,0,1,1|1,0,1]=4 1863 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)NCC2 271570a_100000041997_100000754641 [0,0,0,0,1,1|1,0,1]=4 1864 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)OCC2 271570a_100000041997_100009818566 [0,0,0,0,1,1|1,0,1]=4 1865 B16R3.1779 c1cc2c(cc1c3cn[nH]c3)OCC2 271570a_100010232071_100000238712 [0,0,0,0,1,1|1,0,1]=4 1866 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)CCCC3 271570a_100000062251_100011221367 [0,0,0,0,0,2|1,0,0]=3 1867 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)CCCN3 271570a_100000062251_100016994925 [0,0,0,0,0,2|1,0,0]=3 1868 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)CCCO3 271570a_100000062251_100011393166 [0,0,0,0,0,2|1,0,0]=3 1869 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)CCNC3 271570a_100000062251_100000686056 [0,0,0,0,0,2|1,0,0]=3 1870 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)CNCC3 271570a_100000062251_100015189961 [0,0,0,0,0,2|1,0,0]=3 1871 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)COCC3 271570a_100000062251_100010128096 [0,0,0,0,0,2|1,0,0]=3 1872 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)NCCC3 271570a_100000062251_100010196366 [0,0,0,0,0,2|1,0,0]=3 1873 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)NCCO3 271570a_100000062251_100000708519 [0,0,0,0,0,2|1,0,0]=3 1874 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)NCCS3 271570a_100000062251_100013243616 [0,0,0,0,0,2|1,0,0]=3 1875 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)OCCC3 271570a_100000062251_100010700467 [0,0,0,0,0,2|1,0,0]=3 1876 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)OCCN3 271570a_100000062251_100012355470 [0,0,0,0,0,2|1,0,0]=3 1877 B18R3.2123 C1=C(CCCC1)c2ccc3c(c2)OCCO3 271570a_100000062251_100000184379 [0,0,0,0,0,2|1,0,0]=3 1878 B18R3.2123 C1=C(CCCC1)c2ccc3c(n2)CCCC3 271570a_100000062251_100000046135 [0,0,0,0,0,2|2,0,0]=4 1879 B18R3.2123 C1=C(CCCC1)c2ccc3c(n2)CCCN3 271570a_100000062251_100010277722 [0,0,0,0,0,2|2,0,0]=4 1880 B18R3.2123 C1=C(CCCC1)c2ccc3c(n2)CCNC3 271570a_100000062251_100015190003 [0,0,0,0,0,2|2,0,0]=4 1881 B18R3.2123 C1=C(CCCC1)c2ccc3c(n2)NCCC3 271570a_100000062251_100009952728 [0,0,0,0,0,2|2,0,0]=4 1882 B18R3.2123 C1=C(CCCC1)c2ccc3c(n2)NCCO3 271570a_100000062251_100010209492 [0,0,0,0,0,2|2,0,0]=4 1883 B18R3.2123 C1=C(CCCC1)c2cnc3c(c2)CCCC3 271570a_100000062251_100010236098 [0,0,0,0,0,2|2,0,0]=4 1884 B18R3.2123 C1=C(CCCC1)c2cnc3c(c2)CCCO3 271570a_100000062251_100010109689 [0,0,0,0,0,2|2,0,0]=4 1885 B18R3.2123 C1=C(CCCC1)c2cnc3c(c2)NCCO3 271570a_100000062251_100000700286 [0,0,0,0,0,2|2,0,0]=4 1886 B18R3.2123 C1=C(CCCC1)c2cnc3c(c2)OCCN3 271570a_100000062251_100009816924 [0,0,0,0,0,2|2,0,0]=4 1887 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)CCCC3 271570a_100010175576_100011221367 [0,0,0,0,0,2|2,0,0]=4 1888 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)CCCN3 271570a_100010175576_100016994925 [0,0,0,0,0,2|2,0,0]=4 1889 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)CCCO3 271570a_100010175576_100011393166 [0,0,0,0,0,2|2,0,0]=4 1890 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)CCNC3 271570a_100010175576_100000686056 [0,0,0,0,0,2|2,0,0]=4 1891 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)CNCC3 271570a_100010175576_100015189961 [0,0,0,0,0,2|2,0,0]=4 1892 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)COCC3 271570a_100010175576_100010128096 [0,0,0,0,0,2|2,0,0]=4 1893 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)NCCC3 271570a_100010175576_100010196366 [0,0,0,0,0,2|2,0,0]=4 1894 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)NCCO3 271570a_100010175576_100000708519 [0,0,0,0,0,2|2,0,0]=4 1895 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)NCCS3 271570a_100010175576_100013243616 [0,0,0,0,0,2|2,0,0]=4 1896 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)OCCC3 271570a_100010175576_100010700467 [0,0,0,0,0,2|2,0,0]=4 1897 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)OCCN3 271570a_100010175576_100012355470 [0,0,0,0,0,2|2,0,0]=4 1898 B18R3.2123 C1=C(CCCO1)c2ccc3c(c2)OCCO3 271570a_100010175576_100000184379 [0,0,0,0,0,2|2,0,0]=4 1899 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)CCCC3 271570a_100000731432_100011221367 [0,0,0,0,0,2|2,0,0]=4 1900 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)CCCN3 271570a_100000731432_100016994925 [0,0,0,0,0,2|2,0,0]=4 1901 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)CCCO3 271570a_100000731432_100011393166 [0,0,0,0,0,2|2,0,0]=4 1902 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)CCNC3 271570a_100000731432_100000686056 [0,0,0,0,0,2|2,0,0]=4 1903 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)CNCC3 271570a_100000731432_100015189961 [0,0,0,0,0,2|2,0,0]=4 1904 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)COCC3 271570a_100000731432_100010128096 [0,0,0,0,0,2|2,0,0]=4 1905 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)NCCC3 271570a_100000731432_100010196366 [0,0,0,0,0,2|2,0,0]=4 1906 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)NCCO3 271570a_100000731432_100000708519 [0,0,0,0,0,2|2,0,0]=4 1907 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)NCCS3 271570a_100000731432_100013243616 [0,0,0,0,0,2|2,0,0]=4 1908 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)OCCC3 271570a_100000731432_100010700467 [0,0,0,0,0,2|2,0,0]=4 1909 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)OCCN3 271570a_100000731432_100012355470 [0,0,0,0,0,2|2,0,0]=4 1910 B18R3.2123 C1=C(CCNC1)c2ccc3c(c2)OCCO3 271570a_100000731432_100000184379 [0,0,0,0,0,2|2,0,0]=4 1911 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)CCCC3 271570a_100000070234_100011221367 [0,0,0,0,0,2|2,0,0]=4 1912 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)CCCN3 271570a_100000070234_100016994925 [0,0,0,0,0,2|2,0,0]=4 1913 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)CCCO3 271570a_100000070234_100011393166 [0,0,0,0,0,2|2,0,0]=4 1914 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)CCNC3 271570a_100000070234_100000686056 [0,0,0,0,0,2|2,0,0]=4 1915 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)CNCC3 271570a_100000070234_100015189961 [0,0,0,0,0,2|2,0,0]=4 1916 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)COCC3 271570a_100000070234_100010128096 [0,0,0,0,0,2|2,0,0]=4 1917 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)NCCC3 271570a_100000070234_100010196366 [0,0,0,0,0,2|2,0,0]=4 1918 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)NCCO3 271570a_100000070234_100000708519 [0,0,0,0,0,2|2,0,0]=4 1919 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)NCCS3 271570a_100000070234_100013243616 [0,0,0,0,0,2|2,0,0]=4 1920 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)OCCC3 271570a_100000070234_100010700467 [0,0,0,0,0,2|2,0,0]=4 1921 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)OCCN3 271570a_100000070234_100012355470 [0,0,0,0,0,2|2,0,0]=4 1922 B18R3.2123 C1=C(CCOC1)c2ccc3c(c2)OCCO3 271570a_100000070234_100000184379 [0,0,0,0,0,2|2,0,0]=4 1923 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)CCCC3 271570a_100010232141_100011221367 [0,0,0,0,0,2|2,0,0]=4 1924 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)CCCN3 271570a_100010232141_100016994925 [0,0,0,0,0,2|2,0,0]=4 1925 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)CCCO3 271570a_100010232141_100011393166 [0,0,0,0,0,2|2,0,0]=4 1926 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)CCNC3 271570a_100010232141_100000686056 [0,0,0,0,0,2|2,0,0]=4 1927 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)CNCC3 271570a_100010232141_100015189961 [0,0,0,0,0,2|2,0,0]=4 1928 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)COCC3 271570a_100010232141_100010128096 [0,0,0,0,0,2|2,0,0]=4 1929 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)NCCC3 271570a_100010232141_100010196366 [0,0,0,0,0,2|2,0,0]=4 1930 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)NCCO3 271570a_100010232141_100000708519 [0,0,0,0,0,2|2,0,0]=4 1931 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)NCCS3 271570a_100010232141_100013243616 [0,0,0,0,0,2|2,0,0]=4 1932 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)OCCC3 271570a_100010232141_100010700467 [0,0,0,0,0,2|2,0,0]=4 1933 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)OCCN3 271570a_100010232141_100012355470 [0,0,0,0,0,2|2,0,0]=4 1934 B18R3.2123 C1=C(CCSC1)c2ccc3c(c2)OCCO3 271570a_100010232141_100000184379 [0,0,0,0,0,2|2,0,0]=4 1935 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)CCCC3 271570a_100010177797_100011221367 [0,0,0,0,0,2|2,0,0]=4 1936 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)CCCN3 271570a_100010177797_100016994925 [0,0,0,0,0,2|2,0,0]=4 1937 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)CCCO3 271570a_100010177797_100011393166 [0,0,0,0,0,2|2,0,0]=4 1938 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)CCNC3 271570a_100010177797_100000686056 [0,0,0,0,0,2|2,0,0]=4 1939 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)CNCC3 271570a_100010177797_100015189961 [0,0,0,0,0,2|2,0,0]=4 1940 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)COCC3 271570a_100010177797_100010128096 [0,0,0,0,0,2|2,0,0]=4 1941 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)NCCC3 271570a_100010177797_100010196366 [0,0,0,0,0,2|2,0,0]=4 1942 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)NCCO3 271570a_100010177797_100000708519 [0,0,0,0,0,2|2,0,0]=4 1943 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)NCCS3 271570a_100010177797_100013243616 [0,0,0,0,0,2|2,0,0]=4 1944 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)OCCC3 271570a_100010177797_100010700467 [0,0,0,0,0,2|2,0,0]=4 1945 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)OCCN3 271570a_100010177797_100012355470 [0,0,0,0,0,2|2,0,0]=4 1946 B18R3.2123 C1=C(OCCC1)c2ccc3c(c2)OCCO3 271570a_100010177797_100000184379 [0,0,0,0,0,2|2,0,0]=4 1947 B18R3.10316 C1=C(CCCCC1)c2cc3c(cn2)CCN3 271570a_200009888920_100020639910 [0,0,0,0,0,2|2,0,0]=4 1948 B18R3.10316 C1=C(CCCCC1)c2cc3c(cn2)CNC3 271570a_200009888920_100020645637 [0,0,0,0,0,2|2,0,0]=4 1949 B18R3.10316 C1=C(CCCCC1)c2cc3c(cn2)NCC3 271570a_200009888920_100009884275 [0,0,0,0,0,2|2,0,0]=4 1950 B18R3.10316 C1=C(CCCCC1)c2cc3c(cn2)OCC3 271570a_200009888920_102495363667 [0,0,0,0,0,2|2,0,0]=4 1951 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)CCC3 271570a_200009888920_100000745594 [0,0,0,0,0,2|1,0,0]=3 1952 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)CCN3 271570a_200009888920_100000026929 [0,0,0,0,0,2|1,0,0]=3 1953 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)CCO3 271570a_200009888920_100000729065 [0,0,0,0,0,2|1,0,0]=3 1954 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)CNC3 271570a_200009888920_100000702344 [0,0,0,0,0,2|1,0,0]=3 1955 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)COC3 271570a_200009888920_100000698232 [0,0,0,0,0,2|1,0,0]=3 1956 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)NCC3 271570a_200009888920_100000754641 [0,0,0,0,0,2|1,0,0]=3 1957 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)OCC3 271570a_200009888920_100009818566 [0,0,0,0,0,2|1,0,0]=3 1958 B18R3.10316 C1=C(CCCCC1)c2ccc3c(c2)OCO3 271570a_200009888920_100000688060 [0,0,0,0,0,2|2,0,0]=4 1959 B18R3.10316 C1=C(CCCCC1)c2ccc3c(n2)CCC3 271570a_200009888920_100000046531 [0,0,0,0,0,2|2,0,0]=4 1960 B18R3.10316 C1=C(CCCCC1)c2ccc3c(n2)CCN3 271570a_200009888920_100009872833 [0,0,0,0,0,2|2,0,0]=4 1961 B18R3.10316 C1=C(CCCCC1)c2ccc3c(n2)CNC3 271570a_200009888920_100016995040 [0,0,0,0,0,2|2,0,0]=4 1962 B18R3.10316 C1=C(CCCCC1)c2cnc3c(c2)CCC3 271570a_200009888920_100000693888 [0,0,0,0,0,2|2,0,0]=4 1963 B18R3.10316 C1=C(CCCCC1)c2cnc3c(c2)CCN3 271570a_200009888920_100009817725 [0,0,0,0,0,2|2,0,0]=4 1964 B18R3.10316 C1=C(CCCCC1)c2cnc3c(c2)NCC3 271570a_200009888920_100000698607 [0,0,0,0,0,2|2,0,0]=4 1965 B18R3.10316 C1=Cc2cc(ccc2C1)C3=CCCCCC3 271570a_200009888920_100009814306 [0,0,0,0,0,2|1,0,1]=4 1966 B18R3.10316 C1=Cc2ccc(cc2C1)C3=CCCCCC3 271570a_200009888920_200009818231 [0,0,0,0,0,2|1,0,1]=4 1967 B18R3.12822 C(=Cc1ccc2c(c1)CC2)C3=CCCCC3 271570a_100000069214_100009818592 [0,0,0,0,0,2|1,0,0]=3