0 B15R2.1428 C#CCSC1OC(=O)c2c1cccc2 62a_100000038162_100009813457 [0,0,0,0,0,0|1,0,3]=4 1 B15R2.1428 C=CCNC1OC(=O)c2c1cccc2 2230a_100020586998_100009813457 [0,0,0,0,0,0|1,0,3]=4 2 B15R2.1428 C=CCSC1OC(=O)c2c1cccc2 62a_100000210623_100009813457 [0,0,0,0,0,0|1,0,3]=4 3 B15R2.1428 CCCCc1nn(c2c1cccc2)C 271570a_100020621405_100009817141 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100000210303_100010208147 [0,0,0,0,0,0|2,0,1]=3 5 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210303 [0,0,0,0,0,0|2,0,1]=3 6 B15R2.1428 CCCSC1OC(=O)c2c1cccc2 62a_100000210303_100009813457 [0,0,0,0,0,0|1,0,1]=2 7 B15R2.1428 CCCSc1nn(c2c1cccc2)C 62a_100000210303_100009817141 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.1428 CCCSc1nn(c2c1cccc2)C 62a_100009817141_100000210303 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.1428 COCSC1CC(=O)c2c1cccc2 62a_100000766300_100010208147 [0,0,0,0,0,0|3,0,1]=4 10 B15R2.1428 COCSC1CC(=O)c2c1cccc2 62a_100010208147_100000766300 [0,0,0,0,0,0|3,0,1]=4 11 B15R2.1428 COCSC1OC(=O)c2c1cccc2 62a_100000766300_100009813457 [0,0,0,0,0,0|2,0,1]=3 12 B15R2.1428 CSCSC1CC(=O)c2c1cccc2 62a_100010208147_100011218213 [0,0,0,0,0,0|3,0,1]=4 13 B15R2.1428 CSCSC1CC(=O)c2c1cccc2 62a_100011218213_100010208147 [0,0,0,0,0,0|3,0,1]=4 14 B15R2.1428 CSCSC1OC(=O)c2c1cccc2 62a_100011218213_100009813457 [0,0,0,0,0,0|2,0,1]=3 15 B15R2.1428 N#CCSC1OC(=O)c2c1cccc2 62a_100011215382_100009813457 [0,0,0,0,0,0|2,0,2]=4 16 B15R2.1428 O=C1CC(c2c1cccc2)NCCO 2230a_100016997473_100010208147 [0,0,0,0,0,0|3,0,1]=4 17 B15R2.1428 O=C1CC(c2c1cccc2)SCCF 62a_100010208147_100011217306 [0,0,0,0,0,0|3,0,1]=4 18 B15R2.1428 O=C1CC(c2c1cccc2)SCCF 62a_100011217306_100010208147 [0,0,0,0,0,0|3,0,1]=4 19 B15R2.1428 O=C1CC(c2c1cccc2)SCCO 62a_100000211926_100010208147 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.1428 O=C1CC(c2c1cccc2)SCCO 62a_100010208147_100000211926 [0,0,0,0,0,0|3,0,1]=4 21 B15R2.1428 O=C1OC(c2c1cccc2)NCCO 2230a_100016997473_100009813457 [0,0,0,0,0,0|2,0,1]=3 22 B15R2.1428 O=C1OC(c2c1cccc2)SCCF 62a_100011217306_100009813457 [0,0,0,0,0,0|2,0,1]=3 23 B15R2.1428 O=C1OC(c2c1cccc2)SCCO 62a_100000211926_100009813457 [0,0,0,0,0,0|2,0,1]=3 24 B15R2.1428 O=CCSC1OC(=O)c2c1cccc2 62a_200015260668_100009813457 [0,0,0,0,0,0|2,0,2]=4 25 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [1,0,0,0,0,0|2,0,1]=4 26 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [1,0,0,0,0,0|2,0,1]=4 27 B14R2.3 CCCCc1n[nH]c2c1cccc2 271570a_100020621405_100000050141 [1,0,0,0,0,0|2,0,1]=4 28 B14R2.3 CCCCc1ncn2c1cccc2 271570a_100020621405_100000688344 [1,0,0,0,0,0|2,0,1]=4 29 B14R2.3 CCCOc1csc2c1cccc2 34a_100000077758_100000210303 [1,0,0,0,0,0|3,0,0]=4 30 B14R2.3 CCCOc1csc2c1cccc2 7a_100000077758_100000210303 [1,0,0,0,0,0|3,0,0]=4 31 B14R2.3 CCCSc1coc2c1cccc2 62a_100000210303_100009812202 [1,0,0,0,0,0|3,0,0]=4 32 B14R2.3 CCCSc1csc2c1cccc2 62a_100000210303_100009813928 [1,0,0,0,0,0|3,0,0]=4 33 B14R2.3 CCCSc1n[nH]c2c1cccc2 62a_100000210303_100000050141 [1,0,0,0,0,0|3,0,0]=4 34 B14R2.3 CCCSc1ncn2c1cccc2 62a_100000210303_100010892795 [1,0,0,0,0,0|3,0,0]=4 35 B14R2.3 CCCSc1noc2c1cccc2 62a_100000210303_200000703156 [1,0,0,0,0,0|3,0,0]=4 36 B14R2.3 CCCSc1noc2c1cccc2 62a_200000703156_100000210303 [1,0,0,0,0,0|3,0,0]=4 37 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [1,0,0,0,0,0|2,0,1]=4 38 B14R2.510 CCNC1OC(=O)c2c1cccc2 2230a_100015525214_100009813457 [1,0,0,0,0,0|1,0,1]=3 39 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100000210202_100010208147 [1,0,0,0,0,0|2,0,1]=4 40 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210202 [1,0,0,0,0,0|2,0,1]=4 41 B14R2.510 CCSC1OC(=O)c2c1cccc2 62a_100000210202_100009813457 [1,0,0,0,0,0|1,0,1]=3 42 B14R2.510 O=C1OC(c2c1cccc2)SCF 62a_100015361967_100009813457 [1,0,0,0,0,0|2,0,1]=4 43 B16R2.6329 C#CCCSC1OC(=O)c2c1cccc2 62a_100000688953_100009813457 [0,1,0,0,0,0|1,0,2]=4 44 B16R2.6329 C/C=C/CSC1OC(=O)c2c1cccc2 62a_100102629194_100009813457 [0,1,0,0,0,0|1,0,2]=4 45 B16R2.6329 C=CCCNC1OC(=O)c2c1cccc2 2230a_100015191253_100009813457 [0,1,0,0,0,0|1,0,2]=4 46 B16R2.6329 C=CCCSC1OC(=O)c2c1cccc2 62a_100000754431_100009813457 [0,1,0,0,0,0|1,0,2]=4 47 B16R2.6329 CC#CCNC1OC(=O)c2c1cccc2 2230a_100000685387_100009813457 [0,1,0,0,0,0|1,0,2]=4 48 B16R2.6329 CC#CCSC1OC(=O)c2c1cccc2 62a_100000748600_100009813457 [0,1,0,0,0,0|1,0,2]=4 49 B16R2.6329 CC=CCSC1OC(=O)c2c1cccc2 62a_100000070051_100009813457 [0,1,0,0,0,0|1,0,2]=4 50 B16R2.6329 CCCC=Cc1nn(c2c1cccc2)C 271570a_100016258520_100009817141 [0,1,0,0,0,0|3,0,0]=4 51 B16R2.6329 CCCCNC1CC(=O)c2c1cccc2 2230a_100000102301_100010208147 [0,1,0,0,0,0|1,0,2]=4 52 B16R2.6329 CCCCNC1CC(=O)c2c1cccc2 7a_106832991798_100010208147 [0,1,0,0,0,0|1,0,2]=4 53 B16R2.6329 CCCCNC1OC(=O)c2c1cccc2 2230a_100000102301_100009813457 [0,1,0,0,0,0|0,0,2]=3 54 B16R2.6329 CCCCOC1CC(=O)c2c1cccc2 7a_100000210227_100010208147 [0,1,0,0,0,0|1,0,2]=4 55 B16R2.6329 CCCCSC1CC(=O)c2c1cccc2 62a_100000210211_100010208147 [0,1,0,0,0,0|1,0,2]=4 56 B16R2.6329 CCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210210 [0,1,0,0,0,0|1,0,2]=4 57 B16R2.6329 CCCCSC1OC(=O)c2c1cccc2 62a_100000210211_100009813457 [0,1,0,0,0,0|0,0,2]=3 58 B16R2.6329 CCOCSC1CC(=O)c2c1cccc2 62a_100000739092_100010208147 [0,1,0,0,0,0|2,0,1]=4 59 B16R2.6329 CCOCSC1CC(=O)c2c1cccc2 62a_100010208147_100000739092 [0,1,0,0,0,0|2,0,1]=4 60 B16R2.6329 CCOCSC1OC(=O)c2c1cccc2 62a_100000739092_100009813457 [0,1,0,0,0,0|1,0,1]=3 61 B16R2.6329 COCCNC1CC(=O)c2c1cccc2 2230a_100000209980_100010208147 [0,1,0,0,0,0|2,0,1]=4 62 B16R2.6329 COCCNC1OC(=O)c2c1cccc2 2230a_100000209980_100009813457 [0,1,0,0,0,0|1,0,1]=3 63 B16R2.6329 COCCSC1CC(=O)c2c1cccc2 62a_100000233755_100010208147 [0,1,0,0,0,0|2,0,1]=4 64 B16R2.6329 COCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000233755 [0,1,0,0,0,0|2,0,1]=4 65 B16R2.6329 COCCSC1OC(=O)c2c1cccc2 62a_100000233755_100009813457 [0,1,0,0,0,0|1,0,1]=3 66 B16R2.6329 CSCCNC1CC(=O)c2c1cccc2 2230a_100020590264_100010208147 [0,1,0,0,0,0|2,0,1]=4 67 B16R2.6329 CSCCNC1OC(=O)c2c1cccc2 2230a_100020590264_100009813457 [0,1,0,0,0,0|1,0,1]=3 68 B16R2.6329 CSCCOC1CC(=O)c2c1cccc2 7a_100000230434_100010208147 [0,1,0,0,0,0|2,0,1]=4 69 B16R2.6329 CSCCSC1CC(=O)c2c1cccc2 62a_100000212216_100010208147 [0,1,0,0,0,0|2,0,1]=4 70 B16R2.6329 CSCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000751147 [0,1,0,0,0,0|2,0,1]=4 71 B16R2.6329 CSCCSC1OC(=O)c2c1cccc2 62a_100000212216_100009813457 [0,1,0,0,0,0|1,0,1]=3 72 B16R2.6329 N#CCCSC1OC(=O)c2c1cccc2 62a_100011215226_100009813457 [0,1,0,0,0,0|1,0,2]=4 73 B16R2.6329 O=C1CC(c2c1cccc2)NCCCF 2230a_100015189416_100010208147 [0,1,0,0,0,0|2,0,1]=4 74 B16R2.6329 O=C1CC(c2c1cccc2)SCCCF 62a_100010208147_100011934791 [0,1,0,0,0,0|2,0,1]=4 75 B16R2.6329 O=C1CC(c2c1cccc2)SCCCF 62a_100011934791_100010208147 [0,1,0,0,0,0|2,0,1]=4 76 B16R2.6329 O=C1CC(c2c1cccc2)SCCCO 62a_100010208147_100011215043 [0,1,0,0,0,0|2,0,1]=4 77 B16R2.6329 O=C1CC(c2c1cccc2)SCCCO 62a_100011215043_100010208147 [0,1,0,0,0,0|2,0,1]=4 78 B16R2.6329 O=C1OC(c2c1cccc2)NCCCF 2230a_100015189416_100009813457 [0,1,0,0,0,0|1,0,1]=3 79 B16R2.6329 O=C1OC(c2c1cccc2)SCCCF 62a_100011934791_100009813457 [0,1,0,0,0,0|1,0,1]=3 80 B16R2.6329 O=C1OC(c2c1cccc2)SCCCO 62a_100011215043_100009813457 [0,1,0,0,0,0|1,0,1]=3 81 B16R2.33556 CC(CO)SC1OC(=O)c2c1cccc2 62a_100012180447_100009813457 [0,1,0,0,0,0|2,0,1]=4 82 B16R2.33556 CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210202 [0,1,0,0,0,0|0,0,1]=2 83 B16R2.33556 CCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210202 [0,1,0,0,0,0|0,0,3]=4 84 B16R2.33556 CCC(C)NC1CC(=O)c2c1cccc2 2230a_100000209981_100010208147 [0,1,0,0,0,0|2,0,1]=4 85 B16R2.33556 CCC(C)NC1OC(=O)c2c1cccc2 2230a_100000209981_100009813457 [0,1,0,0,0,0|1,0,1]=3 86 B16R2.33556 CCC(C)OC1CC(=O)c2c1cccc2 7a_100000210228_100010208147 [0,1,0,0,0,0|2,0,1]=4 87 B16R2.33556 CCC(C)SC1CC(=O)c2c1cccc2 62a_100000758301_100010208147 [0,1,0,0,0,0|2,0,1]=4 88 B16R2.33556 CCC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000758301 [0,1,0,0,0,0|2,0,1]=4 89 B16R2.33556 CCC(C)SC1OC(=O)c2c1cccc2 62a_100000758301_100009813457 [0,1,0,0,0,0|1,0,1]=3 90 B16R2.33556 CNC(=O)C=C1OC(=O)c2c1cccc2 240690a_100102657272_200000693922 [0,1,0,0,0,0|1,0,1]=3 91 B16R2.33556 COC(C)SC1OC(=O)c2c1cccc2 62a_100009879195_100009813457 [0,1,0,0,0,0|2,0,1]=4 92 B16R2.33556 C[C@H](CO)NC1OC(=O)c2c1cccc2 2230a_100000737577_100009813457 [0,1,0,0,0,0|2,0,1]=4 93 B16R2.33556 C[C@H](CO)SC1OC(=O)c2c1cccc2 62a_100016084084_100009813457 [0,1,0,0,0,0|2,0,1]=4 94 B16R2.33556 O=C(C=C1OC(=O)c2c1cccc2)CF 1458a_200000693922_100015361967 [0,1,0,0,0,0|1,0,1]=3 95 B16R2.104522 C=C(C)CSC1OC(=O)c2c1cccc2 62a_100000748629_100009813457 [0,1,0,0,0,0|1,0,2]=4 96 B16R2.104522 CC(C)CNC1CC(=O)c2c1cccc2 2230a_100000210953_100010208147 [0,1,0,0,0,0|2,0,1]=4 97 B16R2.104522 CC(C)CNC1OC(=O)c2c1cccc2 2230a_100000210953_100009813457 [0,1,0,0,0,0|1,0,1]=3 98 B16R2.104522 CC(C)CSC1CC(=O)c2c1cccc2 62a_100000210624_100010208147 [0,1,0,0,0,0|2,0,1]=4 99 B16R2.104522 CC(C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000210760 [0,1,0,0,0,0|2,0,1]=4 100 B16R2.104522 CC(C)CSC1OC(=O)c2c1cccc2 62a_100000210624_100009813457 [0,1,0,0,0,0|1,0,1]=3 101 B16R2.104522 CC(O)CNC1CC(=O)c2c1cccc2 2230a_100000210904_100010208147 [0,1,0,0,0,0|2,0,1]=4 102 B16R2.104522 CC(O)CNC1OC(=O)c2c1cccc2 2230a_100000210904_100009813457 [0,1,0,0,0,0|1,0,1]=3 103 B16R2.104522 CC(O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100011218427 [0,1,0,0,0,0|2,0,1]=4 104 B16R2.104522 CC(O)CSC1CC(=O)c2c1cccc2 62a_100011218427_100010208147 [0,1,0,0,0,0|2,0,1]=4 105 B16R2.104522 CC(O)CSC1OC(=O)c2c1cccc2 62a_100011218427_100009813457 [0,1,0,0,0,0|1,0,1]=3 106 B16R2.104522 C[C@@H](O)CSC1CC(=O)c2c1cccc2 62a_100009817552_100010208147 [0,1,0,0,0,0|2,0,1]=4 107 B16R2.104522 C[C@@H](O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100009817552 [0,1,0,0,0,0|2,0,1]=4 108 B16R2.104522 C[C@@H](O)CSC1OC(=O)c2c1cccc2 62a_100009817552_100009813457 [0,1,0,0,0,0|1,0,1]=3 109 B16R2.104522 O=C1OC(c2c1cccc2)SCC(F)F 62a_100011934356_100009813457 [0,1,0,0,0,0|2,0,1]=4 110 B16R2.154585 CCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000211992_100010208147 [0,1,0,0,0,0|1,0,1]=3 111 B16R2.154585 CCCN(C)C1CC(=O)c2c1cccc2 2230a_100000747261_100010208147 [0,1,0,0,0,0|2,0,1]=4 112 B16R2.154585 CCCN(C)C1CC(=O)c2c1cccc2 269982a_100000747261_100010208147 [0,1,0,0,0,0|2,0,1]=4 113 B16R2.154585 CCCN(C)C1OC(=O)c2c1cccc2 2230a_100000747261_100009813457 [0,1,0,0,0,0|1,0,1]=3 114 B16R2.154585 CCCN(C)C1OC(=O)c2c1cccc2 269982a_100000747261_100009813457 [0,1,0,0,0,0|1,0,1]=3 115 B16R2.154585 CN(CCO)C1OC(=O)c2c1cccc2 2230a_100000210263_100009813457 [0,1,0,0,0,0|2,0,1]=4 116 B16R2.154585 CN(CCO)C1OC(=O)c2c1cccc2 269982a_100000210263_100009813457 [0,1,0,0,0,0|2,0,1]=4 117 B16R2.154585 COCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210968_100010208147 [0,1,0,0,0,0|2,0,1]=4 118 B16R2.154585 CSCC(=O)C1CC(=O)c2c1cccc2 1458a_100000184570_100010208147 [0,1,0,0,0,0|2,0,1]=4 119 B16R2.154585 O=C1CC(c2c1cccc2)C(=O)CCO 1458a_100011216618_100010208147 [0,1,0,0,0,0|2,0,1]=4 120 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [0,0,1,0,0,0|1,0,2]=4 121 B14R1.38 CCCC=NNC(=O)c1ccccc1 4a_100000184135_100000185831 [0,0,1,0,0,0|2,0,0]=3 122 B14R1.38 CCCC=NNC(=O)c1ccccn1 4a_100000184044_100000185831 [0,0,1,0,0,0|3,0,0]=4 123 B14R1.38 CCCC=NNC(=O)c1cccnc1 4a_100000189771_100000185831 [0,0,1,0,0,0|3,0,0]=4 124 B14R1.38 CCCC=NNC(=O)c1ccncc1 4a_100000189768_100000185831 [0,0,1,0,0,0|3,0,0]=4 125 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [0,0,1,0,0,0|1,0,2]=4 126 B14R1.38 CCCCCNC(=O)c1ccccc1 11a_100000209983_100000185807 [0,0,1,0,0,0|1,0,2]=4 127 B14R1.38 CCCCCNC(=O)c1ccccc1 1626a_100000209983_100000185807 [0,0,1,0,0,0|1,0,2]=4 128 B14R1.38 CCCCCNC(=O)c1ccccc1 240690a_100000209983_100000185807 [0,0,1,0,0,0|1,0,2]=4 129 B14R1.38 CCCCCNC(=O)c1ccccc1 527a_100000209983_100000185807 [0,0,1,0,0,0|1,0,2]=4 130 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [0,0,1,0,0,0|2,0,1]=4 131 B14R1.38 CCCCNNC(=O)c1ccccc1 22a_100025702795_100000185807 [0,0,1,0,0,0|2,0,1]=4 132 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [0,0,1,0,0,0|2,0,1]=4 133 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [0,0,1,0,0,0|2,0,1]=4 134 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [0,0,1,0,0,0|2,0,1]=4 135 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [0,0,1,0,0,0|2,0,1]=4 136 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [0,0,1,0,0,0|2,0,1]=4 137 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000210303_100000750707 [0,0,1,0,0,0|2,0,1]=4 138 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000750707_100000210303 [0,0,1,0,0,0|2,0,1]=4 139 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000073877_100000210303 [0,0,1,0,0,0|1,0,1]=3 140 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000210303_100000073877 [0,0,1,0,0,0|1,0,1]=3 141 B14R1.38 CCOCCOC(=O)c1ccccc1 34a_100121572206_100009812718 [0,0,1,0,0,0|1,0,2]=4 142 B14R1.38 CCOCCOC(=O)c1ccccc1 7a_100000025465_100000210202 [0,0,1,0,0,0|1,0,2]=4 143 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100000210202_100009812718 [0,0,1,0,0,0|1,0,2]=4 144 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210202 [0,0,1,0,0,0|1,0,2]=4 145 B14R1.38 CNCCCOC(=O)c1ccccc1 34a_100102657272_200009892979 [0,0,1,0,0,0|1,0,2]=4 146 B14R1.38 CNCCCOC(=O)c1ccccc1 7a_106832991635_200009892979 [0,0,1,0,0,0|1,0,2]=4 147 B14R1.38 COCCCOC(=O)c1ccccc1 34a_100138415774_200009892979 [0,0,1,0,0,0|1,0,2]=4 148 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000073877_100000766300 [0,0,1,0,0,0|2,0,1]=4 149 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000766300_100000073877 [0,0,1,0,0,0|2,0,1]=4 150 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200000210301_200009892979 [0,0,1,0,0,0|1,0,2]=4 151 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200009892979_200000210301 [0,0,1,0,0,0|1,0,2]=4 152 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100000073877_100011218213 [0,0,1,0,0,0|2,0,1]=4 153 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100011218213_100000073877 [0,0,1,0,0,0|2,0,1]=4 154 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100000073877_100011217306 [0,0,1,0,0,0|2,0,1]=4 155 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100011217306_100000073877 [0,0,1,0,0,0|2,0,1]=4 156 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000073877_100000211926 [0,0,1,0,0,0|2,0,1]=4 157 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000211926_100000073877 [0,0,1,0,0,0|2,0,1]=4 158 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200009892979_200025704644 [0,0,1,0,0,0|1,0,2]=4 159 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200025704644_200009892979 [0,0,1,0,0,0|1,0,2]=4 160 B14R1.171 CCCCN(CC=O)c1ccccc1 2230a_100000211623_200015260668 [0,0,1,0,0,0|2,0,1]=4 161 B14R1.171 CCCCN(CC=O)c1ccccc1 269982a_100000211623_200015260668 [0,0,1,0,0,0|2,0,1]=4 162 B14R1.171 CCCCN(CC=O)c1ccccc1 34a_100000211623_200009817547 [0,0,1,0,0,0|2,0,1]=4 163 B14R1.903 CCCC=Cc1ccccc1B(O)O 271570a_100016258520_100000693059 [0,0,1,0,0,0|1,0,1]=3 164 B14R1.903 CCCC=Cc1ccccc1C(=O)C 271570a_100016258520_100000751169 [0,0,1,0,0,0|1,0,0]=2 165 B14R1.903 CCCC=Cc1ccccc1C(=O)N 271570a_100016258520_100000162227 [0,0,1,0,0,0|1,0,0]=2 166 B14R1.903 CCCC=Cc1ccccc1C(C)C 271570a_100016258520_100011218076 [0,0,1,0,0,0|2,0,1]=4 167 B14R1.903 CCCC=Cc1ccccc1C(C)N 271570a_100016258520_100000181357 [0,0,1,0,0,0|2,0,1]=4 168 B14R1.903 CCCC=Cc1ccccc1C(C)O 271570a_100016258520_100000702211 [0,0,1,0,0,0|1,0,1]=3 169 B14R1.903 CCCC=Cc1ccccc1C(F)F 271570a_100016258520_100010169824 [0,0,1,0,0,0|2,0,1]=4 170 B14R1.903 CCCC=Cc1ccccc1N(C)C 271570a_100016258520_100011290883 [0,0,1,0,0,0|3,0,0]=4 171 B14R1.903 CCCC=Cc1ccccc1S(=O)C 271570a_100016258520_100000734199 [0,0,1,0,0,0|2,0,0]=3 172 B14R1.903 CCCC=Cc1cccnc1C(=O)C 271570a_100016258520_100012348690 [0,0,1,0,0,0|2,0,0]=3 173 B14R1.903 CCCC=Cc1cccnc1C(=O)N 271570a_100016258520_200012359670 [0,0,1,0,0,0|2,0,0]=3 174 B14R1.903 CCCC=Cc1cccnc1[C@H](C)O 271570a_100016258520_100013325542 [0,0,1,0,0,0|2,0,1]=4 175 B14R1.903 CCCC=Cc1ccncc1C(=O)C 271570a_100016258520_100160469449 [0,0,1,0,0,0|2,0,0]=3 176 B14R1.903 CCCC=Cc1ccncc1C(=O)N 271570a_100016258520_100000697804 [0,0,1,0,0,0|2,0,0]=3 177 B14R1.903 CCCC=Cc1cnccc1B(O)O 271570a_100016258520_200010176179 [0,0,1,0,0,0|2,0,1]=4 178 B14R1.903 CCCC=Cc1cnccc1C(=O)C 271570a_100016258520_100009993184 [0,0,1,0,0,0|2,0,0]=3 179 B14R1.903 CCCC=Cc1cnccc1C(=O)N 271570a_100016258520_100010205435 [0,0,1,0,0,0|2,0,0]=3 180 B14R1.903 CCCC=Cc1ncccc1B(O)O 271570a_100016258520_100009815992 [0,0,1,0,0,0|2,0,1]=4 181 B14R1.903 CCCC=Cc1ncccc1C(=O)C 271570a_100016258520_100000753718 [0,0,1,0,0,0|2,0,0]=3 182 B14R1.903 CCCC=Cc1ncccc1C(=O)N 271570a_100016258520_100000162199 [0,0,1,0,0,0|2,0,0]=3 183 B14R1.903 CCCC=Cc1ncccc1C(C)O 271570a_100016258520_100009865335 [0,0,1,0,0,0|2,0,1]=4 184 B14R1.903 CCCC=Cc1nccnc1C(=O)C 271570a_100016258520_100000099859 [0,0,1,0,0,0|3,0,0]=4 185 B14R1.903 CCCC=Cc1nccnc1C(=O)N 271570a_100016258520_100000094861 [0,0,1,0,0,0|3,0,0]=4 186 B14R1.903 CCCCNc1ccccc1C(=O)N 34a_100000185089_100000210210 [0,0,1,0,0,0|2,0,1]=4 187 B14R1.903 CCCCOc1ccccc1C(=O)C 1458a_100000215687_200000210301 [0,0,1,0,0,0|2,0,1]=4 188 B14R1.903 CCCCOc1ccccc1C(=O)N 34a_100000192804_100000210210 [0,0,1,0,0,0|2,0,1]=4 189 B14R1.903 CCCCOc1ccccc1C(=O)N 7a_100000192804_100000210211 [0,0,1,0,0,0|2,0,1]=4 190 B14R1.903 CCCCOc1ccccc1C(=O)[13CH3] 1458a_100000215687_200025704644 [0,0,1,0,0,0|2,0,1]=4 191 B14R1.903 CCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210211 [0,0,1,0,0,0|1,0,2]=4 192 B14R1.903 CCCCSc1ccccc1C(=O)C 1458a_200000217314_200000210301 [0,0,1,0,0,0|2,0,1]=4 193 B14R1.903 CCCCSc1ccccc1C(=O)C 62a_100000751169_100000210210 [0,0,1,0,0,0|2,0,1]=4 194 B14R1.903 CCCCSc1ccccc1C(=O)N 62a_100000162227_100000210210 [0,0,1,0,0,0|2,0,1]=4 195 B14R1.903 CCCCSc1ccccc1C(=O)N 62a_100000210211_100000162227 [0,0,1,0,0,0|2,0,1]=4 196 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_100000210211_100000734275 [0,0,1,0,0,0|1,0,1]=3 197 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_202125556159_100000210210 [0,0,1,0,0,0|1,0,1]=3 198 B14R1.903 CCCCSc1ccccc1C(=O)[13CH3] 1458a_200000217314_200025704644 [0,0,1,0,0,0|2,0,1]=4 199 B14R1.903 CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210207 [0,0,1,0,0,0|1,0,1]=3 200 B14R1.903 CCOC=Cc1ccccc1B(O)O 271570a_100016256518_100000693059 [0,0,1,0,0,0|2,0,1]=4 201 B14R1.903 CCOC=Cc1ccccc1C(=O)C 271570a_100016256518_100000751169 [0,0,1,0,0,0|2,0,0]=3 202 B14R1.903 CCOC=Cc1ccccc1C(=O)N 271570a_100016256518_100000162227 [0,0,1,0,0,0|2,0,0]=3 203 B14R1.903 CCOC=Cc1ccccc1C(C)O 271570a_100016256518_100000702211 [0,0,1,0,0,0|2,0,1]=4 204 B14R1.903 CCOC=Cc1ccccc1S(=O)C 271570a_100016256518_100000734199 [0,0,1,0,0,0|3,0,0]=4 205 B14R1.903 CCOC=Cc1cccnc1C(=O)C 271570a_100016256518_100012348690 [0,0,1,0,0,0|3,0,0]=4 206 B14R1.903 CCOC=Cc1cccnc1C(=O)N 271570a_100016256518_200012359670 [0,0,1,0,0,0|3,0,0]=4 207 B14R1.903 CCOC=Cc1ccncc1C(=O)C 271570a_100016256518_100160469449 [0,0,1,0,0,0|3,0,0]=4 208 B14R1.903 CCOC=Cc1ccncc1C(=O)N 271570a_100016256518_100000697804 [0,0,1,0,0,0|3,0,0]=4 209 B14R1.903 CCOC=Cc1cnccc1C(=O)C 271570a_100016256518_100009993184 [0,0,1,0,0,0|3,0,0]=4 210 B14R1.903 CCOC=Cc1cnccc1C(=O)N 271570a_100016256518_100010205435 [0,0,1,0,0,0|3,0,0]=4 211 B14R1.903 CCOC=Cc1ncccc1C(=O)C 271570a_100016256518_100000753718 [0,0,1,0,0,0|3,0,0]=4 212 B14R1.903 CCOC=Cc1ncccc1C(=O)N 271570a_100016256518_100000162199 [0,0,1,0,0,0|3,0,0]=4 213 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_100000739092_100000734275 [0,0,1,0,0,0|2,0,1]=4 214 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_202125556159_100000739092 [0,0,1,0,0,0|2,0,1]=4 215 B14R1.903 COCC=Cc1ccccc1B(O)O 271570a_100016286323_100000693059 [0,0,1,0,0,0|2,0,1]=4 216 B14R1.903 COCC=Cc1ccccc1C(=O)C 271570a_100016286323_100000751169 [0,0,1,0,0,0|2,0,0]=3 217 B14R1.903 COCC=Cc1ccccc1C(=O)N 271570a_100016286323_100000162227 [0,0,1,0,0,0|2,0,0]=3 218 B14R1.903 COCC=Cc1ccccc1C(C)O 271570a_100016286323_100000702211 [0,0,1,0,0,0|2,0,1]=4 219 B14R1.903 COCC=Cc1ccccc1S(=O)C 271570a_100016286323_100000734199 [0,0,1,0,0,0|3,0,0]=4 220 B14R1.903 COCC=Cc1cccnc1C(=O)C 271570a_100016286323_100012348690 [0,0,1,0,0,0|3,0,0]=4 221 B14R1.903 COCC=Cc1cccnc1C(=O)N 271570a_100016286323_200012359670 [0,0,1,0,0,0|3,0,0]=4 222 B14R1.903 COCC=Cc1ccncc1C(=O)C 271570a_100016286323_100160469449 [0,0,1,0,0,0|3,0,0]=4 223 B14R1.903 COCC=Cc1ccncc1C(=O)N 271570a_100016286323_100000697804 [0,0,1,0,0,0|3,0,0]=4 224 B14R1.903 COCC=Cc1cnccc1C(=O)C 271570a_100016286323_100009993184 [0,0,1,0,0,0|3,0,0]=4 225 B14R1.903 COCC=Cc1cnccc1C(=O)N 271570a_100016286323_100010205435 [0,0,1,0,0,0|3,0,0]=4 226 B14R1.903 COCC=Cc1ncccc1C(=O)C 271570a_100016286323_100000753718 [0,0,1,0,0,0|3,0,0]=4 227 B14R1.903 COCC=Cc1ncccc1C(=O)N 271570a_100016286323_100000162199 [0,0,1,0,0,0|3,0,0]=4 228 B14R1.903 COCCSc1ccccc1C(=O)O 62a_100000233755_100000734275 [0,0,1,0,0,0|2,0,1]=4 229 B14R1.903 COCCSc1ccccc1C(=O)O 62a_202125556159_100000233755 [0,0,1,0,0,0|2,0,1]=4 230 B14R1.903 COCNCc1ccccc1C(=O)O 269956a_100015183376_100000766300 [0,0,1,0,0,0|2,0,1]=4 231 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_100000212216_100000734275 [0,0,1,0,0,0|2,0,1]=4 232 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_202125556159_100000751147 [0,0,1,0,0,0|2,0,1]=4 233 B14R1.903 CSCNCc1ccccc1C(=O)O 269956a_100015183376_100011218213 [0,0,1,0,0,0|2,0,1]=4 234 B14R1.903 O=C(O)c1ccccc1CNCCF 269956a_100015183376_100011217306 [0,0,1,0,0,0|2,0,1]=4 235 B14R1.903 O=C(O)c1ccccc1CNCCO 269956a_100015183376_100000211926 [0,0,1,0,0,0|2,0,1]=4 236 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_100011934791_100000734275 [0,0,1,0,0,0|2,0,1]=4 237 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_202125556159_100011934791 [0,0,1,0,0,0|2,0,1]=4 238 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_100011215043_100000734275 [0,0,1,0,0,0|2,0,1]=4 239 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_202125556159_100011215043 [0,0,1,0,0,0|2,0,1]=4 240 B14R1.939 C=Cc1ccccc1C(=O)CCCC 1458a_100011830265_100000210211 [0,0,1,0,0,0|1,0,2]=4 241 B14R1.939 C=Cc1ccccc1C(=O)NCCC 1626a_100020643023_100011830265 [0,0,1,0,0,0|2,0,1]=4 242 B14R1.939 C=Cc1ccccc1C(=O)NCCC 271570a_100011290941_200000152266 [0,0,1,0,0,0|2,0,1]=4 243 B14R1.939 CCCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210211 [0,0,1,0,0,0|1,0,2]=4 244 B14R1.939 CCCNC(=O)c1ccccc1I=O 1626a_100020643023_100000032414 [0,0,1,0,0,0|2,0,1]=4 245 B14R1.939 CCCNC(=O)c1ccccc1I=O 240690a_100020643023_100000032414 [0,0,1,0,0,0|2,0,1]=4 246 B14R1.939 CCCNC(=O)c1ccccc1I=O 527a_100020643023_100000032414 [0,0,1,0,0,0|2,0,1]=4 247 B16R3.52766 O=C1CC(c2c1cccc2)N3CCC3 269982a_100000754969_100010208147 [0,0,0,1,0,0|2,0,1]=4 248 B16R3.52766 O=C1OC(c2c1cccc2)N3CCC3 269982a_100000754969_100009813457 [0,0,0,1,0,0|1,0,1]=3 249 B16R3.52767 O=C1CC(c2c1cccc2)SC3CC3 62a_100010208147_100000211595 [0,0,0,1,0,0|2,0,1]=4 250 B16R2.1054 CCCCc1cc(=O)c2ccccc2[nH]1 271570a_100020621405_100000090176 [0,0,0,0,0,1|1,0,1]=3 251 B16R2.1054 CCCCc1cc(=O)n2ccccc2n1 271570a_100020621405_100000707704 [0,0,0,0,0,1|2,0,1]=4 252 B16R2.1054 CCCCc1cc(c2ccccc2c1)N 271570a_100020621405_100010171453 [0,0,0,0,0,1|2,0,1]=4 253 B16R2.1054 CCCCc1cc(c2ccccc2c1)O 271570a_100020621405_100010089979 [0,0,0,0,0,1|1,0,2]=4 254 B16R2.1054 CCCCc1cc(c2ccccc2n1)C 271570a_100020621405_100012354972 [0,0,0,0,0,1|2,0,1]=4 255 B16R2.1054 CCCCc1cc(c2ccccc2n1)N 271570a_100020621405_100010197925 [0,0,0,0,0,1|2,0,1]=4 256 B16R2.1054 CCCCc1cc2ccccc2c(n1)N 271570a_100020621405_100009957331 [0,0,0,0,0,1|2,0,1]=4 257 B16R2.1054 CCCCc1nc(c2ccccc2n1)C 271570a_100020621405_100000046098 [0,0,0,0,0,1|2,0,1]=4 258 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210303 [0,0,0,0,0,1|3,0,0]=4 259 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210303 [0,0,0,0,0,1|3,0,0]=4 260 B16R2.1054 CCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210303 [0,0,0,0,0,1|3,0,0]=4 261 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210303 [0,0,0,0,0,1|3,0,0]=4 262 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210303 [0,0,0,0,0,1|3,0,0]=4 263 B16R2.1054 CCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210303_100000090176 [0,0,0,0,0,1|2,0,0]=3 264 B16R2.1054 CCCSc1cc(=O)n2ccccc2n1 62a_100000210303_100000707704 [0,0,0,0,0,1|3,0,0]=4 265 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100000210303_100010171453 [0,0,0,0,0,1|3,0,0]=4 266 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210303 [0,0,0,0,0,1|3,0,0]=4 267 B16R2.1054 CCCSc1cc(c2ccccc2c1)O 62a_100000210303_100010089979 [0,0,0,0,0,1|2,0,1]=4 268 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100000210303_100000184993 [0,0,0,0,0,1|3,0,0]=4 269 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210303 [0,0,0,0,0,1|3,0,0]=4 270 B16R2.1054 CCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210303 [0,0,0,0,0,1|3,0,0]=4 271 B16R2.1054 CCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210303_200015811170 [0,0,0,0,0,1|2,0,0]=3 272 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100000210303_100009957331 [0,0,0,0,0,1|3,0,0]=4 273 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210303 [0,0,0,0,0,1|3,0,0]=4 274 B16R2.1054 CCCSc1nc(c2ccccc2n1)C 62a_100000046098_100000210303 [0,0,0,0,0,1|3,0,0]=4 275 B16R2.1054 CCCSc1nc(c2ccccc2n1)C 62a_100000210303_100000046098 [0,0,0,0,0,1|3,0,0]=4 276 B16R2.1054 CCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210303 [0,0,0,0,0,1|3,0,0]=4 277 B16R2.1054 CCCSc1nc(c2ccccc2n1)O 62a_100000210303_100000187174 [0,0,0,0,0,1|2,0,1]=4 278 B16R2.1054 CCNCc1nc2ccccc2c(=O)[nH]1 2230a_100015525214_100000182789 [0,0,0,0,0,1|2,0,1]=4 279 B16R2.1054 COCSc1cc(=O)c2ccccc2[nH]1 62a_100000766300_100000090176 [0,0,0,0,0,1|3,0,0]=4 280 B16R2.1054 COCSc1cc2ccccc2c(=O)[nH]1 62a_100000766300_200015811170 [0,0,0,0,0,1|3,0,0]=4 281 B16R2.1054 CSCSc1cc(=O)c2ccccc2[nH]1 62a_100011218213_100000090176 [0,0,0,0,0,1|3,0,0]=4 282 B16R2.1054 CSCSc1cc2ccccc2c(=O)[nH]1 62a_100011218213_200015811170 [0,0,0,0,0,1|3,0,0]=4 283 B16R2.1054 O=c1[nH]c(cc2c1cccc2)SCCF 62a_100011217306_200015811170 [0,0,0,0,0,1|3,0,0]=4 284 B16R2.1054 O=c1[nH]c(cc2c1cccc2)SCCO 62a_100000211926_200015811170 [0,0,0,0,0,1|3,0,0]=4 285 B16R2.1054 O=c1cc([nH]c2c1cccc2)SCCF 62a_100011217306_100000090176 [0,0,0,0,0,1|3,0,0]=4 286 B16R2.1054 O=c1cc([nH]c2c1cccc2)SCCO 62a_100000211926_100000090176 [0,0,0,0,0,1|3,0,0]=4 287 B16R2.12192 CCCCc1c[nH]c(=O)c2c1ccnc2 271570a_100020621405_100010090797 [0,0,0,0,0,1|2,0,1]=4 288 B16R2.12192 CCCCc1ccc(c2c1cccc2)Br 271570a_100020621405_100012339872 [0,0,0,0,0,1|2,0,1]=4 289 B16R2.12192 CCCCc1ccc(c2c1cccc2)C 271570a_100020621405_100011215156 [0,0,0,0,0,1|2,0,1]=4 290 B16R2.12192 CCCCc1ccc(c2c1cccc2)F 271570a_100020621405_100011218216 [0,0,0,0,0,1|2,0,1]=4 291 B16R2.12192 CCCCc1ccc(c2c1cccc2)N 271570a_100020621405_100000766797 [0,0,0,0,0,1|2,0,1]=4 292 B16R2.12192 CCCCc1ccc(c2c1cccc2)O 271570a_100020621405_100000186334 [0,0,0,0,0,1|1,0,2]=4 293 B16R2.12192 CCCCc1cnc(c2c1cccc2)C 271570a_100020621405_100010239772 [0,0,0,0,0,1|2,0,1]=4 294 B16R2.12192 CCCCc1cnc(c2c1cccc2)N 271570a_100020621405_100010158575 [0,0,0,0,0,1|2,0,1]=4 295 B16R2.12192 CCCCc1cnc(c2c1cccc2)O 271570a_100020621405_100009816523 [0,0,0,0,0,1|1,0,2]=4 296 B16R2.12192 CCCCc1n[nH]c(=O)c2c1cccc2 271570a_100020621405_100010235092 [0,0,0,0,0,1|1,0,1]=3 297 B16R2.12192 CCCCc1n[nH]c(=O)c2c1cccn2 271570a_100020621405_100021647086 [0,0,0,0,0,1|2,0,1]=4 298 B16R2.12192 CCCCc1n[nH]c(=O)c2c1nccc2 271570a_100020621405_200021304518 [0,0,0,0,0,1|2,0,1]=4 299 B16R2.12192 CCCCc1ncc(c2c1cccc2)C 271570a_100020621405_100000112005 [0,0,0,0,0,1|2,0,1]=4 300 B16R2.12192 CCCCc1ncc(c2c1cccc2)N 271570a_100020621405_200009868590 [0,0,0,0,0,1|2,0,1]=4 301 B16R2.12192 CCCCc1ncc(c2c1cccc2)O 271570a_100020621405_100000067196 [0,0,0,0,0,1|1,0,2]=4 302 B16R2.12192 CCCCc1nnc(c2c1cccc2)C 271570a_100020621405_100000189618 [0,0,0,0,0,1|2,0,1]=4 303 B16R2.12192 CCCNc1ccc(c2c1cccc2)Br 34a_100000766797_100000210303 [0,0,0,0,0,1|3,0,0]=4 304 B16R2.12192 CCCNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000210303 [0,0,0,0,0,1|3,0,0]=4 305 B16R2.12192 CCCNc1ccc(c2c1cccc2)F 34a_100011988692_100000210303 [0,0,0,0,0,1|3,0,0]=4 306 B16R2.12192 CCCNc1ccc(c2c1cccc2)O 34a_100000705857_100000210303 [0,0,0,0,0,1|2,0,1]=4 307 B16R2.12192 CCCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000210303 [0,0,0,0,0,1|2,0,1]=4 308 B16R2.12192 CCCOc1ccc(c2c1cccc2)Br 34a_100000186334_100000210303 [0,0,0,0,0,1|3,0,0]=4 309 B16R2.12192 CCCOc1ccc(c2c1cccc2)Br 7a_100000186334_100000210303 [0,0,0,0,0,1|3,0,0]=4 310 B16R2.12192 CCCOc1ccc(c2c1cccc2)C 34a_100000074455_100000210303 [0,0,0,0,0,1|3,0,0]=4 311 B16R2.12192 CCCOc1ccc(c2c1cccc2)C 7a_100000074455_100000210303 [0,0,0,0,0,1|3,0,0]=4 312 B16R2.12192 CCCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100000210303 [0,0,0,0,0,1|3,0,0]=4 313 B16R2.12192 CCCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100000210303 [0,0,0,0,0,1|3,0,0]=4 314 B16R2.12192 CCCOc1ccc(c2c1cccc2)F 34a_100000100223_100000210303 [0,0,0,0,0,1|3,0,0]=4 315 B16R2.12192 CCCOc1ccc(c2c1cccc2)F 7a_100000100223_100000210303 [0,0,0,0,0,1|3,0,0]=4 316 B16R2.12192 CCCOc1ccc(c2c1cccc2)N 34a_100000705857_100000210303 [0,0,0,0,0,1|3,0,0]=4 317 B16R2.12192 CCCOc1ccc(c2c1cccc2)N 7a_100000705857_100000210303 [0,0,0,0,0,1|3,0,0]=4 318 B16R2.12192 CCCOc1cnc(c2c1cccc2)Cl 34a_100000067196_100000210303 [0,0,0,0,0,1|3,0,0]=4 319 B16R2.12192 CCCOc1cnc(c2c1cccc2)Cl 7a_100000067196_100000210303 [0,0,0,0,0,1|3,0,0]=4 320 B16R2.12192 CCCOc1nnc(c2c1cccc2)C 34a_100000183092_100000210303 [0,0,0,0,0,1|3,0,0]=4 321 B16R2.12192 CCCSc1c[nH]c(=O)c2c1ccnc2 62a_100000210303_100010090797 [0,0,0,0,0,1|3,0,0]=4 322 B16R2.12192 CCCSc1c[nH]c(=O)c2c1nccc2 62a_100000210303_100009998689 [0,0,0,0,0,1|3,0,0]=4 323 B16R2.12192 CCCSc1ccc(c2c1cccc2)Br 62a_100000210303_100012339872 [0,0,0,0,0,1|3,0,0]=4 324 B16R2.12192 CCCSc1ccc(c2c1cccc2)Br 62a_100012339872_100000210303 [0,0,0,0,0,1|3,0,0]=4 325 B16R2.12192 CCCSc1ccc(c2c1cccc2)C 62a_100000210303_100011215156 [0,0,0,0,0,1|3,0,0]=4 326 B16R2.12192 CCCSc1ccc(c2c1cccc2)C 62a_100011215156_100000210303 [0,0,0,0,0,1|3,0,0]=4 327 B16R2.12192 CCCSc1ccc(c2c1cccc2)F 62a_100000210303_100011218216 [0,0,0,0,0,1|3,0,0]=4 328 B16R2.12192 CCCSc1ccc(c2c1cccc2)F 62a_100011218216_100000210303 [0,0,0,0,0,1|3,0,0]=4 329 B16R2.12192 CCCSc1ccc(c2c1cccc2)N 62a_100000766797_100000210303 [0,0,0,0,0,1|3,0,0]=4 330 B16R2.12192 CCCSc1ccc(c2c1cccc2)O 62a_100000210303_100000186334 [0,0,0,0,0,1|2,0,1]=4 331 B16R2.12192 CCCSc1cnc(c2c1cccc2)C 62a_100000210303_100010239772 [0,0,0,0,0,1|3,0,0]=4 332 B16R2.12192 CCCSc1cnc(c2c1cccc2)C 62a_100010239772_100000210303 [0,0,0,0,0,1|3,0,0]=4 333 B16R2.12192 CCCSc1cnc(c2c1cccc2)N 62a_100000210303_100010158575 [0,0,0,0,0,1|3,0,0]=4 334 B16R2.12192 CCCSc1cnc(c2c1cccc2)N 62a_100010158575_100000210303 [0,0,0,0,0,1|3,0,0]=4 335 B16R2.12192 CCCSc1cnc(c2c1cccc2)O 62a_100000210303_100009816523 [0,0,0,0,0,1|2,0,1]=4 336 B16R2.12192 CCCSc1n[nH]c(=O)c2c1cccc2 62a_100000210303_100010235092 [0,0,0,0,0,1|2,0,0]=3 337 B16R2.12192 CCCSc1n[nH]c(=O)c2c1cccn2 62a_100000210303_100021647086 [0,0,0,0,0,1|3,0,0]=4 338 B16R2.12192 CCCSc1n[nH]c(=O)c2c1nccc2 62a_100000210303_200021304518 [0,0,0,0,0,1|3,0,0]=4 339 B16R2.12192 CCCSc1ncc(c2c1cccc2)C 62a_100000210303_100000112005 [0,0,0,0,0,1|3,0,0]=4 340 B16R2.12192 CCCSc1ncc(c2c1cccc2)N 62a_100000210303_200009868590 [0,0,0,0,0,1|3,0,0]=4 341 B16R2.12192 CCCSc1ncc(c2c1cccc2)O 62a_100000210303_100000067196 [0,0,0,0,0,1|2,0,1]=4 342 B16R2.12192 CCCSc1nnc(c2c1cccc2)C 62a_100000210303_100000189618 [0,0,0,0,0,1|3,0,0]=4 343 B16R2.12192 CCNCc1c[nH]c(=O)c2c1cccc2 270004a_100015525214_100009868339 [0,0,0,0,0,1|2,0,1]=4 344 B16R2.12192 CCNN=C1CNC(=O)c2c1cccc2 4a_100000756455_100009878905 [0,0,0,0,0,1|3,0,0]=4 345 B16R2.12192 CCNN=C1COC(=O)c2c1cccc2 4a_100000756455_200010632819 [0,0,0,0,0,1|2,0,0]=3 346 B16R2.12192 COCSc1n[nH]c(=O)c2c1cccc2 62a_100000766300_100010235092 [0,0,0,0,0,1|3,0,0]=4 347 B16R2.12192 CSCSc1n[nH]c(=O)c2c1cccc2 62a_100011218213_100010235092 [0,0,0,0,0,1|3,0,0]=4 348 B16R2.12192 O=c1[nH]nc(c2c1cccc2)SCCF 62a_100011217306_100010235092 [0,0,0,0,0,1|3,0,0]=4 349 B16R2.12192 O=c1[nH]nc(c2c1cccc2)SCCO 62a_100000211926_100010235092 [0,0,0,0,0,1|3,0,0]=4 350 B16R2.12202 CCCCc1cc(=O)[nH]c2c1cccc2 271570a_100020621405_100000075698 [0,0,0,0,0,1|1,0,1]=3 351 B16R2.12202 CCCCc1cc(=O)[nH]c2c1cccn2 271570a_100020621405_100010499609 [0,0,0,0,0,1|2,0,1]=4 352 B16R2.12202 CCCCc1cc(cc2c1cccc2)N 271570a_100020621405_100010089974 [0,0,0,0,0,1|2,0,1]=4 353 B16R2.12202 CCCCc1cc(cc2c1cccc2)O 271570a_100020621405_100010001680 [0,0,0,0,0,1|1,0,2]=4 354 B16R2.12202 CCCCc1cc(nc2c1cccc2)C 271570a_100020621405_100000764982 [0,0,0,0,0,1|2,0,1]=4 355 B16R2.12202 CCCCc1nc(cc2c1cccc2)C 271570a_100020621405_100000698243 [0,0,0,0,0,1|2,0,1]=4 356 B16R2.12202 CCCCc1nc(cc2c1cccc2)N 271570a_100020621405_100009814382 [0,0,0,0,0,1|2,0,1]=4 357 B16R2.12202 CCCCc1nc(nc2c1cccc2)C 271570a_100020621405_100000230251 [0,0,0,0,0,1|2,0,1]=4 358 B16R2.12202 CCCNc1cc(cc2c1cccc2)Br 34a_100010171453_100000210303 [0,0,0,0,0,1|3,0,0]=4 359 B16R2.12202 CCCOc1cc(cc2c1cccc2)Br 34a_100010089979_100000210303 [0,0,0,0,0,1|3,0,0]=4 360 B16R2.12202 CCCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000210303 [0,0,0,0,0,1|3,0,0]=4 361 B16R2.12202 CCCOc1cc(nc2c1cccc2)C 34a_100000698765_100000210303 [0,0,0,0,0,1|3,0,0]=4 362 B16R2.12202 CCCSc1cc(=O)[nH]c2c1cccc2 62a_100000210303_100000075698 [0,0,0,0,0,1|2,0,0]=3 363 B16R2.12202 CCCSc1cc(=O)[nH]c2c1cccn2 62a_100000210303_100010499609 [0,0,0,0,0,1|3,0,0]=4 364 B16R2.12202 CCCSc1cc(cc2c1cccc2)N 62a_100000210303_100010089974 [0,0,0,0,0,1|3,0,0]=4 365 B16R2.12202 CCCSc1cc(cc2c1cccc2)N 62a_100010089974_100000210303 [0,0,0,0,0,1|3,0,0]=4 366 B16R2.12202 CCCSc1cc(cc2c1cccc2)O 62a_100000210303_100010001680 [0,0,0,0,0,1|2,0,1]=4 367 B16R2.12202 CCCSc1cc(nc2c1cccc2)C 62a_100000210303_100000735862 [0,0,0,0,0,1|3,0,0]=4 368 B16R2.12202 CCCSc1cc(nc2c1cccc2)C 62a_100000764982_100000210303 [0,0,0,0,0,1|3,0,0]=4 369 B16R2.12202 CCCSc1nc(cc2c1cccc2)C 62a_100000210303_100000698243 [0,0,0,0,0,1|3,0,0]=4 370 B16R2.12202 CCCSc1nc(cc2c1cccc2)N 62a_100000210303_100009814382 [0,0,0,0,0,1|3,0,0]=4 371 B16R2.12202 CCCSc1nc(cc2c1cccc2)N 62a_100009814382_100000210303 [0,0,0,0,0,1|3,0,0]=4 372 B16R2.12202 CCCSc1nc(nc2c1cccc2)C 62a_100000210303_100000230251 [0,0,0,0,0,1|3,0,0]=4 373 B16R2.12202 CCCSc1nc(nc2c1cccc2)C 62a_100000230251_100000210303 [0,0,0,0,0,1|3,0,0]=4 374 B16R2.12202 CCNN=C1CC(=O)Oc2c1cccc2 4a_100000756455_100000047318 [0,0,0,0,0,1|3,0,0]=4 375 B16R2.12202 COCSc1cc(=O)[nH]c2c1cccc2 62a_100000766300_100000075698 [0,0,0,0,0,1|3,0,0]=4 376 B16R2.12202 CSCSc1cc(=O)[nH]c2c1cccc2 62a_100011218213_100000075698 [0,0,0,0,0,1|3,0,0]=4 377 B16R2.12202 O=c1cc(c2ccccc2[nH]1)NCCO 27a_100000210304_100000075698 [0,0,0,0,0,1|3,0,0]=4 378 B16R2.12202 O=c1cc(c2ccccc2[nH]1)SCCF 62a_100011217306_100000075698 [0,0,0,0,0,1|3,0,0]=4 379 B16R2.12202 O=c1cc(c2ccccc2[nH]1)SCCO 62a_100000211926_100000075698 [0,0,0,0,0,1|3,0,0]=4 380 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [1,0,1,0,0,0|1,0,0]=3 381 B13R1.24 CCC=NNC(=O)c1ccccc1 4a_100000184135_100000210100 [1,0,1,0,0,0|2,0,0]=4 382 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [1,0,1,0,0,0|0,0,2]=4 383 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [1,0,1,0,0,0|1,0,1]=4 384 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [1,0,1,0,0,0|1,0,1]=4 385 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [1,0,1,0,0,0|1,0,1]=4 386 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [1,0,1,0,0,0|1,0,1]=4 387 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [1,0,1,0,0,0|2,0,0]=4 388 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [1,0,1,0,0,0|1,0,1]=4 389 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [1,0,1,0,0,0|1,0,1]=4 390 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [1,0,1,0,0,0|1,0,1]=4 391 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [1,0,1,0,0,0|1,0,1]=4 392 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [1,0,1,0,0,0|1,0,1]=4 393 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [1,0,1,0,0,0|1,0,1]=4 394 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [1,0,1,0,0,0|1,0,1]=4 395 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [1,0,1,0,0,0|1,0,1]=4 396 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [1,0,1,0,0,0|1,0,1]=4 397 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [1,0,1,0,0,0|1,0,1]=4 398 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [1,0,1,0,0,0|1,0,1]=4 399 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [1,0,1,0,0,0|1,0,1]=4 400 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [1,0,1,0,0,0|1,0,1]=4 401 B13R1.398 CCCN(CC=O)c1ccccc1 2230a_200011218496_200015260668 [1,0,1,0,0,0|2,0,0]=4 402 B13R1.398 CCCN(CC=O)c1ccccc1 269982a_200011218496_200015260668 [1,0,1,0,0,0|2,0,0]=4 403 B13R1.398 CCCN(CC=O)c1ccccc1 34a_200011218496_200009817547 [1,0,1,0,0,0|2,0,0]=4 404 B13R1.84 CCCC=Cc1ccccc1C#N 271570a_100016258520_100000188569 [1,0,1,0,0,0|1,0,1]=4 405 B13R1.84 CCCC=Cc1ccccc1C=O 271570a_100016258520_100000211189 [1,0,1,0,0,0|0,0,0]=2 406 B13R1.84 CCCC=Cc1ccccc1CC 271570a_100016258520_100011215823 [1,0,1,0,0,0|1,0,1]=4 407 B13R1.84 CCCC=Cc1ccccc1CN 271570a_100016258520_100000689332 [1,0,1,0,0,0|1,0,1]=4 408 B13R1.84 CCCC=Cc1ccccc1CO 271570a_100016258520_100000187465 [1,0,1,0,0,0|0,0,1]=3 409 B13R1.84 CCCC=Cc1ccccc1NC 271570a_100016258520_100020606079 [1,0,1,0,0,0|2,0,0]=4 410 B13R1.84 CCCC=Cc1ccccc1NN 271570a_100016258520_100000241748 [1,0,1,0,0,0|2,0,0]=4 411 B13R1.84 CCCC=Cc1ccccc1OC 271570a_100016258520_100000174000 [1,0,1,0,0,0|2,0,0]=4 412 B13R1.84 CCCC=Cc1ccccc1SC 271570a_100016258520_100011217816 [1,0,1,0,0,0|2,0,0]=4 413 B13R1.84 CCCC=Cc1cccnc1C=O 271570a_100016258520_100011934733 [1,0,1,0,0,0|1,0,0]=3 414 B13R1.84 CCCC=Cc1cccnc1CO 271570a_100016258520_100011996772 [1,0,1,0,0,0|1,0,1]=4 415 B13R1.84 CCCC=Cc1ccncc1C=O 271570a_100016258520_100000050567 [1,0,1,0,0,0|1,0,0]=3 416 B13R1.84 CCCC=Cc1ccncc1CO 271570a_100016258520_100000117392 [1,0,1,0,0,0|1,0,1]=4 417 B13R1.84 CCCC=Cc1cnccc1C=O 271570a_100016258520_100011934409 [1,0,1,0,0,0|1,0,0]=3 418 B13R1.84 CCCC=Cc1cnccc1CO 271570a_100016258520_100009873359 [1,0,1,0,0,0|1,0,1]=4 419 B13R1.84 CCCC=Cc1ncccc1C=O 271570a_100016258520_100009816751 [1,0,1,0,0,0|1,0,0]=3 420 B13R1.84 CCCC=Cc1ncccc1CO 271570a_100016258520_100000748726 [1,0,1,0,0,0|1,0,1]=4 421 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210073_100000210210 [1,0,1,0,0,0|1,0,1]=4 422 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210211_100000210073 [1,0,1,0,0,0|1,0,1]=4 423 B13R1.84 CCCOCc1ccccc1C=O 34a_100000210258_200009853537 [1,0,1,0,0,0|1,0,1]=4 424 B13R1.84 CCCSCc1ccccc1C=O 62a_100000210303_200009853537 [1,0,1,0,0,0|1,0,1]=4 425 B13R1.84 CCCSCc1ccccc1C=O 62a_200009853537_100000210303 [1,0,1,0,0,0|1,0,1]=4 426 B13R1.84 CCOC=Cc1ccccc1C=O 271570a_100016256518_100000211189 [1,0,1,0,0,0|1,0,0]=3 427 B13R1.84 CCOC=Cc1ccccc1CO 271570a_100016256518_100000187465 [1,0,1,0,0,0|1,0,1]=4 428 B13R1.84 CCOC=Cc1cccnc1C=O 271570a_100016256518_100011934733 [1,0,1,0,0,0|2,0,0]=4 429 B13R1.84 CCOC=Cc1ccncc1C=O 271570a_100016256518_100000050567 [1,0,1,0,0,0|2,0,0]=4 430 B13R1.84 CCOC=Cc1cnccc1C=O 271570a_100016256518_100011934409 [1,0,1,0,0,0|2,0,0]=4 431 B13R1.84 CCOC=Cc1ncccc1C=O 271570a_100016256518_100009816751 [1,0,1,0,0,0|2,0,0]=4 432 B13R1.84 COCC=Cc1ccccc1C=O 271570a_100016286323_100000211189 [1,0,1,0,0,0|1,0,0]=3 433 B13R1.84 COCC=Cc1ccccc1CO 271570a_100016286323_100000187465 [1,0,1,0,0,0|1,0,1]=4 434 B13R1.84 COCC=Cc1cccnc1C=O 271570a_100016286323_100011934733 [1,0,1,0,0,0|2,0,0]=4 435 B13R1.84 COCC=Cc1ccncc1C=O 271570a_100016286323_100000050567 [1,0,1,0,0,0|2,0,0]=4 436 B13R1.84 COCC=Cc1cnccc1C=O 271570a_100016286323_100011934409 [1,0,1,0,0,0|2,0,0]=4 437 B13R1.84 COCC=Cc1ncccc1C=O 271570a_100016286323_100009816751 [1,0,1,0,0,0|2,0,0]=4 438 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [1,0,1,0,0,0|1,0,1]=4 439 B13R1.572 CCCCc1ccccc1C(=O)N 271570a_100020621405_100000162227 [1,0,1,0,0,0|1,0,1]=4 440 B13R1.572 CCCNc1ccccc1C(=O)N 34a_100000185089_100000210303 [1,0,1,0,0,0|2,0,0]=4 441 B13R1.572 CCCOc1ccccc1C(=O)C 1458a_100000215688_200000210301 [1,0,1,0,0,0|2,0,0]=4 442 B13R1.572 CCCOc1ccccc1C(=O)N 34a_100000192804_100000210303 [1,0,1,0,0,0|2,0,0]=4 443 B13R1.572 CCCOc1ccccc1C(=O)N 7a_100000192804_100000210303 [1,0,1,0,0,0|2,0,0]=4 444 B13R1.572 CCCOc1ccccc1C(=O)[13CH3] 1458a_100000215688_200025704644 [1,0,1,0,0,0|2,0,0]=4 445 B13R1.572 CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210303 [1,0,1,0,0,0|1,0,1]=4 446 B13R1.572 CCCSc1ccccc1C(=O)C 1458a_100000217225_200000210301 [1,0,1,0,0,0|2,0,0]=4 447 B13R1.572 CCCSc1ccccc1C(=O)C 62a_100000751169_100000210303 [1,0,1,0,0,0|2,0,0]=4 448 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000162227_100000210303 [1,0,1,0,0,0|2,0,0]=4 449 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000210303_100000162227 [1,0,1,0,0,0|2,0,0]=4 450 B13R1.572 CCCSc1ccccc1C(=O)O 62a_100000210303_100000734275 [1,0,1,0,0,0|1,0,0]=3 451 B13R1.572 CCCSc1ccccc1C(=O)O 62a_202125556159_100000210303 [1,0,1,0,0,0|1,0,0]=3 452 B13R1.572 CCCSc1ccccc1C(=O)[13CH3] 1458a_100000217225_200025704644 [1,0,1,0,0,0|2,0,0]=4 453 B13R1.572 CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210202 [1,0,1,0,0,0|1,0,1]=4 454 B13R1.572 COCSc1ccccc1C(=O)O 62a_100000766300_100000734275 [1,0,1,0,0,0|2,0,0]=4 455 B13R1.572 COCSc1ccccc1C(=O)O 62a_202125556159_100000766300 [1,0,1,0,0,0|2,0,0]=4 456 B13R1.572 CSCSc1ccccc1C(=O)O 62a_100011218213_100000734275 [1,0,1,0,0,0|2,0,0]=4 457 B13R1.572 CSCSc1ccccc1C(=O)O 62a_202125556159_100011218213 [1,0,1,0,0,0|2,0,0]=4 458 B13R1.572 O=C(O)c1ccccc1SCCF 62a_100011217306_100000734275 [1,0,1,0,0,0|2,0,0]=4 459 B13R1.572 O=C(O)c1ccccc1SCCF 62a_202125556159_100011217306 [1,0,1,0,0,0|2,0,0]=4 460 B13R1.572 O=C(O)c1ccccc1SCCO 62a_100000211926_100000734275 [1,0,1,0,0,0|2,0,0]=4 461 B13R1.572 O=C(O)c1ccccc1SCCO 62a_202125556159_100000211926 [1,0,1,0,0,0|2,0,0]=4 462 B13R1.464 C=Cc1ccccc1C(=O)CCC 1458a_100011830265_100000210303 [1,0,1,0,0,0|1,0,1]=4 463 B13R1.464 CCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210303 [1,0,1,0,0,0|1,0,1]=4 464 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [2,0,0,0,0,0|1,0,1]=4 465 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [2,0,0,0,0,0|1,0,1]=4 466 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [2,0,0,0,0,0|1,0,1]=4 467 B15R1.30 CCCC=NNC(=O)c1ccc(cc1)Br 4a_100000183614_100000185831 [0,1,1,0,0,0|2,0,0]=4 468 B15R1.30 CCCC=NNC(=O)c1ccc(cc1)C 4a_100000189790_100000185831 [0,1,1,0,0,0|2,0,0]=4 469 B15R1.30 CCCC=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_100000185831 [0,1,1,0,0,0|2,0,0]=4 470 B15R1.30 CCCC=NNC(=O)c1ccc(cc1)F 4a_100000182866_100000185831 [0,1,1,0,0,0|2,0,0]=4 471 B15R1.30 CCCC=NNC(=O)c1ccc(cc1)I 4a_100000189773_100000185831 [0,1,1,0,0,0|2,0,0]=4 472 B15R1.31 CCCC=NNC(=O)c1cccc(c1)Br 4a_100000189783_100000185831 [0,1,1,0,0,0|2,0,0]=4 473 B15R1.31 CCCC=NNC(=O)c1cccc(c1)C 4a_100000189845_100000185831 [0,1,1,0,0,0|2,0,0]=4 474 B15R1.31 CCCC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_100000185831 [0,1,1,0,0,0|2,0,0]=4 475 B15R1.31 CCCC=NNC(=O)c1cccc(c1)F 4a_100000189798_100000185831 [0,1,1,0,0,0|2,0,0]=4 476 B15R1.31 CCCC=NNC(=O)c1cccc(c1)I 4a_100000186306_100000185831 [0,1,1,0,0,0|2,0,0]=4 477 B15R1.89 CCCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000211909 [0,1,1,0,0,0|2,0,0]=4 478 B15R1.89 CCCC(=O)CCC(=O)c1ccccc1 1458a_100000211992_100000750707 [0,1,1,0,0,0|1,0,1]=4 479 B15R1.89 CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210303 [0,1,1,0,0,0|1,0,1]=4 480 B15R1.89 CCCC(=O)COC(=O)c1ccccc1 1458a_100000211992_100000073877 [0,1,1,0,0,0|0,0,1]=3 481 B15R1.89 CCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000211992 [0,1,1,0,0,0|2,0,0]=4 482 B15R1.89 CCCC(=O)NNC(=O)c1ccccc1 22a_100000189770_100000185807 [0,1,1,0,0,0|2,0,0]=4 483 B15R1.89 CCCC(=O)OCC(=O)c1ccccc1 1458a_100000185807_100000034017 [0,1,1,0,0,0|2,0,0]=4 484 B15R1.89 CCCN(C)COC(=O)c1ccccc1 269982a_100000747261_100000073877 [0,1,1,0,0,0|1,0,1]=4 485 B15R1.89 COCC(=O)COC(=O)c1ccccc1 1458a_100000210968_100000073877 [0,1,1,0,0,0|1,0,1]=4 486 B15R1.89 CSCC(=O)COC(=O)c1ccccc1 1458a_100000184570_100000073877 [0,1,1,0,0,0|1,0,1]=4 487 B15R1.89 O=C(CCO)COC(=O)c1ccccc1 1458a_100011216618_100000073877 [0,1,1,0,0,0|1,0,1]=4 488 B15R1.115 CCC=CC(=O)CC(=O)c1ccccc1 1458a_100000212282_100000211460 [0,1,1,0,0,0|1,0,1]=4 489 B15R1.115 CCCCC(=O)CC(=O)c1ccccc1 1458a_100000210183_100000211460 [0,1,1,0,0,0|1,0,1]=4 490 B15R1.115 CCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183358 [0,1,1,0,0,0|2,0,0]=4 491 B15R1.115 CCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200011215008 [0,1,1,0,0,0|2,0,0]=4 492 B15R1.138 CCC/C=C/COC(C)c1ccccc1 34a_100016278788_100000211855 [0,1,1,0,0,0|1,0,1]=4 493 B15R1.138 CCC/C=C/COC(C)c1ccccc1 7a_100016278788_100000230085 [0,1,1,0,0,0|1,0,1]=4 494 B15R1.138 CCC=CC=NNC(=O)c1ccccc1 4a_100000184135_100011216943 [0,1,1,0,0,0|1,0,1]=4 495 B15R1.138 CCCCC=NNC(=O)c1ccccc1 4a_100000184135_100000210104 [0,1,1,0,0,0|1,0,1]=4 496 B15R1.138 CCCCCOCC(=O)c1ccccc1 7a_100000210253_100000211460 [0,1,1,0,0,0|0,0,2]=4 497 B15R1.138 CCCCNCOC(=O)c1ccccc1 7a_106832991798_100000073877 [0,1,1,0,0,0|0,0,2]=4 498 B15R1.138 CCCCOCOC(=O)c1ccccc1 7a_100000210227_100000073877 [0,1,1,0,0,0|0,0,2]=4 499 B15R1.138 CCCCSCOC(=O)c1ccccc1 62a_100000073877_100000210210 [0,1,1,0,0,0|0,0,2]=4 500 B15R1.138 CCCCSCOC(=O)c1ccccc1 62a_100000210211_100000073877 [0,1,1,0,0,0|0,0,2]=4 501 B15R1.138 CCCOCCOC(=O)c1ccccc1 34a_100000210258_100009812718 [0,1,1,0,0,0|0,0,2]=4 502 B15R1.138 CCCOCCOC(=O)c1ccccc1 7a_100000025465_100000210303 [0,1,1,0,0,0|0,0,2]=4 503 B15R1.138 CCCSCCOC(=O)c1ccccc1 62a_100000210303_100009812718 [0,1,1,0,0,0|0,0,2]=4 504 B15R1.138 CCCSCCOC(=O)c1ccccc1 62a_100009812718_100000210303 [0,1,1,0,0,0|0,0,2]=4 505 B15R1.138 CCOCCCOC(=O)c1ccccc1 34a_100121572206_200009892979 [0,1,1,0,0,0|0,0,2]=4 506 B15R1.138 CCOCSCOC(=O)c1ccccc1 62a_100000073877_100000739092 [0,1,1,0,0,0|1,0,1]=4 507 B15R1.138 CCOCSCOC(=O)c1ccccc1 62a_100000739092_100000073877 [0,1,1,0,0,0|1,0,1]=4 508 B15R1.138 CCSCCCOC(=O)c1ccccc1 62a_100000210202_200009892979 [0,1,1,0,0,0|0,0,2]=4 509 B15R1.138 CCSCCCOC(=O)c1ccccc1 62a_200009892979_100000210202 [0,1,1,0,0,0|0,0,2]=4 510 B15R1.138 CNCCCCOC(=O)c1ccccc1 34a_100102657272_100000039408 [0,1,1,0,0,0|0,0,2]=4 511 B15R1.138 CNCCCCOC(=O)c1ccccc1 7a_106832991635_100000039408 [0,1,1,0,0,0|0,0,2]=4 512 B15R1.138 COCCCCOC(=O)c1ccccc1 34a_100138415774_100000039408 [0,1,1,0,0,0|0,0,2]=4 513 B15R1.138 COCCSCOC(=O)c1ccccc1 62a_100000073877_100000233755 [0,1,1,0,0,0|1,0,1]=4 514 B15R1.138 COCCSCOC(=O)c1ccccc1 62a_100000233755_100000073877 [0,1,1,0,0,0|1,0,1]=4 515 B15R1.138 CSCCC=NNC(=O)c1ccccc1 4a_100000184135_100000210997 [0,1,1,0,0,0|2,0,0]=4 516 B15R1.138 CSCCCCOC(=O)c1ccccc1 62a_100000039408_200000210301 [0,1,1,0,0,0|0,0,2]=4 517 B15R1.138 CSCCCCOC(=O)c1ccccc1 62a_200000210301_100000039408 [0,1,1,0,0,0|0,0,2]=4 518 B15R1.138 CSCCOCOC(=O)c1ccccc1 7a_100000230434_100000073877 [0,1,1,0,0,0|1,0,1]=4 519 B15R1.138 CSCCSCOC(=O)c1ccccc1 62a_100000073877_100000751147 [0,1,1,0,0,0|1,0,1]=4 520 B15R1.138 CSCCSCOC(=O)c1ccccc1 62a_100000212216_100000073877 [0,1,1,0,0,0|1,0,1]=4 521 B15R1.138 O=C(OCSCCCF)c1ccccc1 62a_100000073877_100011934791 [0,1,1,0,0,0|1,0,1]=4 522 B15R1.138 O=C(OCSCCCF)c1ccccc1 62a_100011934791_100000073877 [0,1,1,0,0,0|1,0,1]=4 523 B15R1.138 O=C(OCSCCCO)c1ccccc1 62a_100000073877_100011215043 [0,1,1,0,0,0|1,0,1]=4 524 B15R1.138 O=C(OCSCCCO)c1ccccc1 62a_100011215043_100000073877 [0,1,1,0,0,0|1,0,1]=4 525 B15R1.138 [13CH3]SCCCCOC(=O)c1ccccc1 62a_100000039408_200025704644 [0,1,1,0,0,0|0,0,2]=4 526 B15R1.138 [13CH3]SCCCCOC(=O)c1ccccc1 62a_200025704644_100000039408 [0,1,1,0,0,0|0,0,2]=4 527 B15R1.497 CC(C)CC=NNC(=O)c1ccccc1 4a_100000184135_100000185833 [0,1,1,0,0,0|2,0,0]=4 528 B15R1.497 CC(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000210760 [0,1,1,0,0,0|1,0,1]=4 529 B15R1.497 CC(C)CSCOC(=O)c1ccccc1 62a_100000210624_100000073877 [0,1,1,0,0,0|1,0,1]=4 530 B15R1.497 CC(O)CSCOC(=O)c1ccccc1 62a_100000073877_100011218427 [0,1,1,0,0,0|1,0,1]=4 531 B15R1.497 CC(O)CSCOC(=O)c1ccccc1 62a_100011218427_100000073877 [0,1,1,0,0,0|1,0,1]=4 532 B15R1.497 C[C@@H](O)CSCOC(=O)c1ccccc1 62a_100000073877_100009817552 [0,1,1,0,0,0|1,0,1]=4 533 B15R1.497 C[C@@H](O)CSCOC(=O)c1ccccc1 62a_100009817552_100000073877 [0,1,1,0,0,0|1,0,1]=4 534 B15R1.959 CCC(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000243153 [0,1,1,0,0,0|2,0,0]=4 535 B15R1.959 CCC(C)OCOC(=O)c1ccccc1 7a_100000210228_100000073877 [0,1,1,0,0,0|1,0,1]=4 536 B15R1.959 CCC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000758301 [0,1,1,0,0,0|1,0,1]=4 537 B15R1.959 CCC(C)SCOC(=O)c1ccccc1 62a_100000758301_100000073877 [0,1,1,0,0,0|1,0,1]=4 538 B15R1.3965 CCCC=NNC(=O)c1ccccc1Br 4a_100000183644_100000185831 [0,1,1,0,0,0|2,0,0]=4 539 B15R1.3965 CCCC=NNC(=O)c1ccccc1C 4a_100000181371_100000185831 [0,1,1,0,0,0|2,0,0]=4 540 B15R1.3965 CCCC=NNC(=O)c1ccccc1Cl 4a_100000186534_100000185831 [0,1,1,0,0,0|2,0,0]=4 541 B15R1.3965 CCCC=NNC(=O)c1ccccc1F 4a_100000183521_100000185831 [0,1,1,0,0,0|2,0,0]=4 542 B15R1.3965 CCCC=NNC(=O)c1ccccc1I 4a_100000190081_100000185831 [0,1,1,0,0,0|2,0,0]=4 543 B15R1.3913 CCCCC(OCC=O)c1ccccc1 34a_100000698411_200009817547 [0,1,1,0,0,0|0,0,2]=4 544 B15R1.3913 CCCCC(OCC=O)c1ccccc1 7a_100000698411_200015260668 [0,1,1,0,0,0|0,0,2]=4 545 B15R1.241 CC/C=C\CSc1ccccc1C(=O)O 62a_100103147603_100000734275 [0,1,1,0,0,0|0,0,2]=4 546 B15R1.241 CC/C=C\CSc1ccccc1C(=O)O 62a_202125556159_100103147603 [0,1,1,0,0,0|0,0,2]=4 547 B15R1.241 CCCCC=Cc1ccccc1B(O)O 271570a_100016275911_100000693059 [0,1,1,0,0,0|1,0,1]=4 548 B15R1.241 CCCCC=Cc1ccccc1C(=O)C 271570a_100016275911_100000751169 [0,1,1,0,0,0|1,0,0]=3 549 B15R1.241 CCCCC=Cc1ccccc1C(=O)N 271570a_100016275911_100000162227 [0,1,1,0,0,0|1,0,0]=3 550 B15R1.241 CCCCC=Cc1ccccc1C(C)O 271570a_100016275911_100000702211 [0,1,1,0,0,0|1,0,1]=4 551 B15R1.241 CCCCC=Cc1ccccc1S(=O)C 271570a_100016275911_100000734199 [0,1,1,0,0,0|2,0,0]=4 552 B15R1.241 CCCCC=Cc1cccnc1C(=O)C 271570a_100016275911_100012348690 [0,1,1,0,0,0|2,0,0]=4 553 B15R1.241 CCCCC=Cc1cccnc1C(=O)N 271570a_100016275911_200012359670 [0,1,1,0,0,0|2,0,0]=4 554 B15R1.241 CCCCC=Cc1ccncc1C(=O)C 271570a_100016275911_100160469449 [0,1,1,0,0,0|2,0,0]=4 555 B15R1.241 CCCCC=Cc1ccncc1C(=O)N 271570a_100016275911_100000697804 [0,1,1,0,0,0|2,0,0]=4 556 B15R1.241 CCCCC=Cc1cnccc1C(=O)C 271570a_100016275911_100009993184 [0,1,1,0,0,0|2,0,0]=4 557 B15R1.241 CCCCC=Cc1cnccc1C(=O)N 271570a_100016275911_100010205435 [0,1,1,0,0,0|2,0,0]=4 558 B15R1.241 CCCCC=Cc1ncccc1C(=O)C 271570a_100016275911_100000753718 [0,1,1,0,0,0|2,0,0]=4 559 B15R1.241 CCCCC=Cc1ncccc1C(=O)N 271570a_100016275911_100000162199 [0,1,1,0,0,0|2,0,0]=4 560 B15R1.241 CCCCCSc1ccccc1C(=O)O 62a_100000210326_100000734275 [0,1,1,0,0,0|0,0,2]=4 561 B15R1.241 CCCCCSc1ccccc1C(=O)O 62a_202125556159_100000210326 [0,1,1,0,0,0|0,0,2]=4 562 B15R1.241 CCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210211 [0,1,1,0,0,0|0,0,2]=4 563 B15R1.241 CCOCCSc1ccccc1C(=O)O 62a_100000210147_100000734275 [0,1,1,0,0,0|1,0,1]=4 564 B15R1.241 CCOCCSc1ccccc1C(=O)O 62a_202125556159_100011215890 [0,1,1,0,0,0|1,0,1]=4 565 B15R1.241 CCOCNCc1ccccc1C(=O)O 269956a_100015183376_100000739092 [0,1,1,0,0,0|1,0,1]=4 566 B15R1.241 CCSCCSc1ccccc1C(=O)O 62a_100000757381_100000734275 [0,1,1,0,0,0|1,0,1]=4 567 B15R1.241 CCSCCSc1ccccc1C(=O)O 62a_202125556159_100000757381 [0,1,1,0,0,0|1,0,1]=4 568 B15R1.241 COCCCSc1ccccc1C(=O)O 62a_100000709357_100000734275 [0,1,1,0,0,0|1,0,1]=4 569 B15R1.241 COCCCSc1ccccc1C(=O)O 62a_202125556159_100000709357 [0,1,1,0,0,0|1,0,1]=4 570 B15R1.241 COCCNCc1ccccc1C(=O)O 269956a_100015183376_100000233755 [0,1,1,0,0,0|1,0,1]=4 571 B15R1.241 CSCCNCc1ccccc1C(=O)O 269956a_100015183376_100000212216 [0,1,1,0,0,0|1,0,1]=4 572 B15R1.241 O=C(O)c1ccccc1CNCCCF 269956a_100015183376_100011934791 [0,1,1,0,0,0|1,0,1]=4 573 B15R1.241 O=C(O)c1ccccc1CNCCCO 269956a_100015183376_100011215043 [0,1,1,0,0,0|1,0,1]=4 574 B15R1.241 O=C(O)c1ccccc1SCCCCF 62a_100000729493_100000734275 [0,1,1,0,0,0|1,0,1]=4 575 B15R1.241 O=C(O)c1ccccc1SCCCCF 62a_202125556159_100000729493 [0,1,1,0,0,0|1,0,1]=4 576 B15R1.241 O=C(O)c1ccccc1SCCCCO 62a_100000210776_100000734275 [0,1,1,0,0,0|1,0,1]=4 577 B15R1.241 O=C(O)c1ccccc1SCCCCO 62a_202125556159_100000210776 [0,1,1,0,0,0|1,0,1]=4 578 B15R1.559 CCCC=Cc1ccc(cc1B(O)O)C 271570a_100016258520_200010883979 [0,1,1,0,0,0|1,0,1]=4 579 B15R1.559 CCCC=Cc1ccc(cc1B(O)O)F 271570a_100016258520_200009816908 [0,1,1,0,0,0|1,0,1]=4 580 B15R1.559 CCCC=Cc1ccc(cc1C(=O)C)Br 271570a_100016258520_100012349576 [0,1,1,0,0,0|1,0,0]=3 581 B15R1.559 CCCC=Cc1ccc(cc1C(=O)C)C 271570a_100016258520_100012361225 [0,1,1,0,0,0|1,0,0]=3 582 B15R1.559 CCCC=Cc1ccc(cc1C(=O)C)F 271570a_100016258520_100012353695 [0,1,1,0,0,0|1,0,0]=3 583 B15R1.559 CCCC=Cc1ccc(cc1C(=O)C)N 271570a_100016258520_100012349454 [0,1,1,0,0,0|1,0,0]=3 584 B15R1.559 CCCC=Cc1ccc(cc1C(=O)N)Br 271570a_100016258520_200000162314 [0,1,1,0,0,0|1,0,0]=3 585 B15R1.559 CCCC=Cc1ccc(cc1C(=O)N)C 271570a_100016258520_200012349609 [0,1,1,0,0,0|1,0,0]=3 586 B15R1.559 CCCC=Cc1ccc(cc1C(=O)N)F 271570a_100016258520_100000206434 [0,1,1,0,0,0|1,0,0]=3 587 B15R1.559 CCCC=Cc1ccc(cc1C(=O)N)N 271570a_100016258520_100015186447 [0,1,1,0,0,0|1,0,0]=3 588 B15R1.559 CCCC=Cc1ccc(cc1[C@H](C)O)F 271570a_100016258520_100134768474 [0,1,1,0,0,0|1,0,1]=4 589 B15R1.559 CCCC=Cc1ncc(cc1C(=O)C)F 271570a_100016258520_100000118324 [0,1,1,0,0,0|2,0,0]=4 590 B15R1.559 CCCC=Cc1ncc(cc1C(=O)N)F 271570a_100016258520_100012183597 [0,1,1,0,0,0|2,0,0]=4 591 B15R1.559 CCCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210210 [0,1,1,0,0,0|1,0,1]=4 592 B15R1.559 CCOC=Cc1ccc(cc1C(=O)C)Br 271570a_100016256518_100012349576 [0,1,1,0,0,0|2,0,0]=4 593 B15R1.559 CCOC=Cc1ccc(cc1C(=O)C)C 271570a_100016256518_100012361225 [0,1,1,0,0,0|2,0,0]=4 594 B15R1.559 CCOC=Cc1ccc(cc1C(=O)C)F 271570a_100016256518_100012353695 [0,1,1,0,0,0|2,0,0]=4 595 B15R1.559 CCOC=Cc1ccc(cc1C(=O)C)N 271570a_100016256518_100012349454 [0,1,1,0,0,0|2,0,0]=4 596 B15R1.559 CCOC=Cc1ccc(cc1C(=O)N)Br 271570a_100016256518_200000162314 [0,1,1,0,0,0|2,0,0]=4 597 B15R1.559 CCOC=Cc1ccc(cc1C(=O)N)C 271570a_100016256518_200012349609 [0,1,1,0,0,0|2,0,0]=4 598 B15R1.559 CCOC=Cc1ccc(cc1C(=O)N)F 271570a_100016256518_100000206434 [0,1,1,0,0,0|2,0,0]=4 599 B15R1.559 CCOC=Cc1ccc(cc1C(=O)N)N 271570a_100016256518_100015186447 [0,1,1,0,0,0|2,0,0]=4 600 B15R1.559 COCC=Cc1ccc(cc1C(=O)C)Br 271570a_100016286323_100012349576 [0,1,1,0,0,0|2,0,0]=4 601 B15R1.559 COCC=Cc1ccc(cc1C(=O)C)C 271570a_100016286323_100012361225 [0,1,1,0,0,0|2,0,0]=4 602 B15R1.559 COCC=Cc1ccc(cc1C(=O)C)F 271570a_100016286323_100012353695 [0,1,1,0,0,0|2,0,0]=4 603 B15R1.559 COCC=Cc1ccc(cc1C(=O)C)N 271570a_100016286323_100012349454 [0,1,1,0,0,0|2,0,0]=4 604 B15R1.559 COCC=Cc1ccc(cc1C(=O)N)Br 271570a_100016286323_200000162314 [0,1,1,0,0,0|2,0,0]=4 605 B15R1.559 COCC=Cc1ccc(cc1C(=O)N)C 271570a_100016286323_200012349609 [0,1,1,0,0,0|2,0,0]=4 606 B15R1.559 COCC=Cc1ccc(cc1C(=O)N)F 271570a_100016286323_100000206434 [0,1,1,0,0,0|2,0,0]=4 607 B15R1.559 COCC=Cc1ccc(cc1C(=O)N)N 271570a_100016286323_100015186447 [0,1,1,0,0,0|2,0,0]=4 608 B15R1.1108 CCC(C)CSc1ccccc1C(=O)O 62a_100000748023_100000734275 [0,1,1,0,0,0|1,0,1]=4 609 B15R1.1108 CCC(C)CSc1ccccc1C(=O)O 62a_202125556159_100000748023 [0,1,1,0,0,0|1,0,1]=4 610 B15R1.1108 CCC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100000758301 [0,1,1,0,0,0|1,0,1]=4 611 B15R1.1108 CCC(O)CSc1ccccc1C(=O)O 62a_100011218378_100000734275 [0,1,1,0,0,0|1,0,1]=4 612 B15R1.1108 CCC(O)CSc1ccccc1C(=O)O 62a_202125556159_100011218378 [0,1,1,0,0,0|1,0,1]=4 613 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)O 62a_100009816398_100000734275 [0,1,1,0,0,0|1,0,1]=4 614 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)O 62a_202125556159_100009816398 [0,1,1,0,0,0|1,0,1]=4 615 B15R1.1159 CCCC=Cc1cc(ccc1B(O)O)C 271570a_100016258520_200011068827 [0,1,1,0,0,0|1,0,1]=4 616 B15R1.1159 CCCC=Cc1cc(ccc1B(O)O)F 271570a_100016258520_100010175514 [0,1,1,0,0,0|1,0,1]=4 617 B15R1.1159 CCCC=Cc1cc(ccc1C(=O)C)C 271570a_100016258520_100012353930 [0,1,1,0,0,0|1,0,0]=3 618 B15R1.1159 CCCC=Cc1cc(ccc1C(=O)C)F 271570a_100016258520_100000686192 [0,1,1,0,0,0|1,0,0]=3 619 B15R1.1159 CCCC=Cc1cc(ccc1C(=O)C)O 271570a_100016258520_100012340537 [0,1,1,0,0,0|1,0,0]=3 620 B15R1.1159 CCCC=Cc1cc(ccc1C(=O)N)Br 271570a_100016258520_100009815748 [0,1,1,0,0,0|1,0,0]=3 621 B15R1.1159 CCCC=Cc1cc(ccc1C(=O)N)F 271570a_100016258520_100000206404 [0,1,1,0,0,0|1,0,0]=3 622 B15R1.1159 CCCC=Cc1nc(ccc1C(=O)N)C 271570a_100016258520_100000041523 [0,1,1,0,0,0|2,0,0]=4 623 B15R1.1159 CCOC=Cc1cc(ccc1C(=O)C)C 271570a_100016256518_100012353930 [0,1,1,0,0,0|2,0,0]=4 624 B15R1.1159 CCOC=Cc1cc(ccc1C(=O)C)F 271570a_100016256518_100000686192 [0,1,1,0,0,0|2,0,0]=4 625 B15R1.1159 CCOC=Cc1cc(ccc1C(=O)C)O 271570a_100016256518_100012340537 [0,1,1,0,0,0|2,0,0]=4 626 B15R1.1159 CCOC=Cc1cc(ccc1C(=O)N)Br 271570a_100016256518_100009815748 [0,1,1,0,0,0|2,0,0]=4 627 B15R1.1159 CCOC=Cc1cc(ccc1C(=O)N)F 271570a_100016256518_100000206404 [0,1,1,0,0,0|2,0,0]=4 628 B15R1.1159 COCC=Cc1cc(ccc1C(=O)C)C 271570a_100016286323_100012353930 [0,1,1,0,0,0|2,0,0]=4 629 B15R1.1159 COCC=Cc1cc(ccc1C(=O)C)F 271570a_100016286323_100000686192 [0,1,1,0,0,0|2,0,0]=4 630 B15R1.1159 COCC=Cc1cc(ccc1C(=O)C)O 271570a_100016286323_100012340537 [0,1,1,0,0,0|2,0,0]=4 631 B15R1.1159 COCC=Cc1cc(ccc1C(=O)N)Br 271570a_100016286323_100009815748 [0,1,1,0,0,0|2,0,0]=4 632 B15R1.1159 COCC=Cc1cc(ccc1C(=O)N)F 271570a_100016286323_100000206404 [0,1,1,0,0,0|2,0,0]=4 633 B15R1.1190 CCCC=Cc1ccccc1C(C)(C)O 271570a_100016258520_100011346021 [0,1,1,0,0,0|1,0,1]=4 634 B15R1.1190 CCCC=Cc1ccccc1S(=O)(=O)C 271570a_100016258520_100000751929 [0,1,1,0,0,0|1,0,1]=4 635 B15R1.1190 CCCC=Cc1ccccc1S(=O)(=O)N 271570a_100016258520_100000735520 [0,1,1,0,0,0|1,0,1]=4 636 B15R1.1191 CCCC=Cc1ccccc1C(=O)NC 271570a_100016258520_100000155073 [0,1,1,0,0,0|1,0,0]=3 637 B15R1.1191 CCCC=Cc1ccccc1C(=O)NN 271570a_100016258520_100000190081 [0,1,1,0,0,0|1,0,0]=3 638 B15R1.1191 CCCC=Cc1ccccc1C(=O)OC 271570a_100016258520_100000148710 [0,1,1,0,0,0|0,0,0]=2 639 B15R1.1191 CCCC=Cc1ccccc1C(O)CN 271570a_100016258520_100011236429 [0,1,1,0,0,0|1,0,1]=4 640 B15R1.1191 CCCC=Cc1ccccc1[C@H](N)CO 271570a_100016258520_100161155918 [0,1,1,0,0,0|1,0,1]=4 641 B15R1.1191 CCCC=Cc1cccnc1C(=O)OC 271570a_100016258520_100011935214 [0,1,1,0,0,0|1,0,0]=3 642 B15R1.1191 CCCC=Cc1ccncc1C(=O)OC 271570a_100016258520_100020629055 [0,1,1,0,0,0|1,0,0]=3 643 B15R1.1191 CCCC=Cc1cnccc1C(=O)OC 271570a_100016258520_100010008606 [0,1,1,0,0,0|1,0,0]=3 644 B15R1.1191 CCCC=Cc1cncnc1C(=O)OC 271570a_100016258520_100012360100 [0,1,1,0,0,0|2,0,0]=4 645 B15R1.1191 CCCC=Cc1ncccc1C(=O)NC 271570a_100016258520_100000159833 [0,1,1,0,0,0|2,0,0]=4 646 B15R1.1191 CCCC=Cc1ncccc1C(=O)OC 271570a_100016258520_100000150852 [0,1,1,0,0,0|1,0,0]=3 647 B15R1.1191 CCCC=Cc1nccnc1C(=O)OC 271570a_100016258520_100000688410 [0,1,1,0,0,0|2,0,0]=4 648 B15R1.1191 CCCC=Cc1ncncc1C(=O)OC 271570a_100016258520_100000726419 [0,1,1,0,0,0|2,0,0]=4 649 B15R1.1191 CCCCOc1ccccc1C(=O)NO 34a_100000188472_100000210210 [0,1,1,0,0,0|1,0,1]=4 650 B15R1.1191 CCCCOc1ccccc1C(=O)OC 7a_100000150335_100000210211 [0,1,1,0,0,0|1,0,1]=4 651 B15R1.1191 CCCCSc1ccccc1C(=O)OC 62a_100000148710_100000210210 [0,1,1,0,0,0|1,0,1]=4 652 B15R1.1191 CCCCSc1ccccc1C(=O)OC 62a_100000210211_100000148710 [0,1,1,0,0,0|1,0,1]=4 653 B15R1.1191 CCCCSc1ccccc1C(=O)O[Na] 62a_100000210211_114855342371 [0,1,1,0,0,0|1,0,1]=4 654 B15R1.1191 CCCOCc1ccccc1C(=O)OC 34a_100000210258_100000744672 [0,1,1,0,0,0|1,0,1]=4 655 B15R1.1191 CCCSCc1ccccc1C(=O)OC 62a_100000210303_100000744672 [0,1,1,0,0,0|1,0,1]=4 656 B15R1.1191 CCCSCc1ccccc1C(=O)OC 62a_100000744672_100000210303 [0,1,1,0,0,0|1,0,1]=4 657 B15R1.1191 CCNN=Cc1ccccc1C(=O)OC 4a_100000756455_100000006219 [0,1,1,0,0,0|2,0,0]=4 658 B15R1.1191 CCOC=Cc1ccccc1C(=O)NC 271570a_100016256518_100000155073 [0,1,1,0,0,0|2,0,0]=4 659 B15R1.1191 CCOC=Cc1ccccc1C(=O)NN 271570a_100016256518_100000190081 [0,1,1,0,0,0|2,0,0]=4 660 B15R1.1191 CCOC=Cc1ccccc1C(=O)OC 271570a_100016256518_100000148710 [0,1,1,0,0,0|1,0,0]=3 661 B15R1.1191 CCOC=Cc1cccnc1C(=O)OC 271570a_100016256518_100011935214 [0,1,1,0,0,0|2,0,0]=4 662 B15R1.1191 CCOC=Cc1ccncc1C(=O)OC 271570a_100016256518_100020629055 [0,1,1,0,0,0|2,0,0]=4 663 B15R1.1191 CCOC=Cc1cnccc1C(=O)OC 271570a_100016256518_100010008606 [0,1,1,0,0,0|2,0,0]=4 664 B15R1.1191 CCOC=Cc1ncccc1C(=O)OC 271570a_100016256518_100000150852 [0,1,1,0,0,0|2,0,0]=4 665 B15R1.1191 CNC(=O)c1ccccc1C=CCOC 271570a_100016286323_100000155073 [0,1,1,0,0,0|2,0,0]=4 666 B15R1.1191 COCC=Cc1ccccc1C(=O)NN 271570a_100016286323_100000190081 [0,1,1,0,0,0|2,0,0]=4 667 B15R1.1191 COCC=Cc1ccccc1C(=O)OC 271570a_100016286323_100000148710 [0,1,1,0,0,0|1,0,0]=3 668 B15R1.1191 COCC=Cc1cccnc1C(=O)OC 271570a_100016286323_100011935214 [0,1,1,0,0,0|2,0,0]=4 669 B15R1.1191 COCC=Cc1ccncc1C(=O)OC 271570a_100016286323_100020629055 [0,1,1,0,0,0|2,0,0]=4 670 B15R1.1191 COCC=Cc1cnccc1C(=O)OC 271570a_100016286323_100010008606 [0,1,1,0,0,0|2,0,0]=4 671 B15R1.1191 COCC=Cc1ncccc1C(=O)OC 271570a_100016286323_100000150852 [0,1,1,0,0,0|2,0,0]=4 672 B15R1.1239 CCCCN(C)c1ccccc1C(=O)O 269956a_100000183030_200000210301 [0,1,1,0,0,0|1,0,1]=4 673 B15R1.1239 CCCCN([13CH3])c1ccccc1C(=O)O 269956a_100000183030_200025704644 [0,1,1,0,0,0|1,0,1]=4 674 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)C 1458a_100011208156_200000210301 [0,1,1,0,0,0|2,0,0]=4 675 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000211992 [0,1,1,0,0,0|2,0,0]=4 676 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000211992 [0,1,1,0,0,0|2,0,0]=4 677 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000211992 [0,1,1,0,0,0|2,0,0]=4 678 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100011208156_200025704644 [0,1,1,0,0,0|2,0,0]=4 679 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_100000766640_100000734275 [0,1,1,0,0,0|1,0,1]=4 680 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000766640 [0,1,1,0,0,0|1,0,1]=4 681 B15R1.3990 CCCC=Cc1c(cccc1C(=O)C)F 271570a_100016258520_100012362612 [0,1,1,0,0,0|1,0,0]=3 682 B15R1.3990 CCCC=Cc1c(cccc1C(=O)N)C 271570a_100016258520_200011409216 [0,1,1,0,0,0|1,0,0]=3 683 B15R1.3990 CCCC=Cc1c(cccc1C(=O)N)F 271570a_100016258520_200012351544 [0,1,1,0,0,0|1,0,0]=3 684 B15R1.3990 CCOC=Cc1c(cccc1C(=O)C)F 271570a_100016256518_100012362612 [0,1,1,0,0,0|2,0,0]=4 685 B15R1.3990 CCOC=Cc1c(cccc1C(=O)N)C 271570a_100016256518_200011409216 [0,1,1,0,0,0|2,0,0]=4 686 B15R1.3990 CCOC=Cc1c(cccc1C(=O)N)F 271570a_100016256518_200012351544 [0,1,1,0,0,0|2,0,0]=4 687 B15R1.3990 COCC=Cc1c(cccc1C(=O)C)F 271570a_100016286323_100012362612 [0,1,1,0,0,0|2,0,0]=4 688 B15R1.3990 COCC=Cc1c(cccc1C(=O)N)C 271570a_100016286323_200011409216 [0,1,1,0,0,0|2,0,0]=4 689 B15R1.3990 COCC=Cc1c(cccc1C(=O)N)F 271570a_100016286323_200012351544 [0,1,1,0,0,0|2,0,0]=4 690 B15R1.4455 CCCC=Cc1cccc(c1C(=O)C)F 271570a_100016258520_100012351873 [0,1,1,0,0,0|1,0,0]=3 691 B15R1.4455 CCCC=Cc1cccc(c1C(=O)C)O 271570a_100016258520_100010174959 [0,1,1,0,0,0|1,0,0]=3 692 B15R1.4455 CCCC=Cc1cccc(c1C(=O)N)Cl 271570a_100016258520_100010147686 [0,1,1,0,0,0|1,0,0]=3 693 B15R1.4455 CCCC=Cc1cccc(c1C(=O)N)F 271570a_100016258520_100011219063 [0,1,1,0,0,0|1,0,0]=3 694 B15R1.4455 CCCC=Cc1cccc(c1C(C)O)F 271570a_100016258520_100013085324 [0,1,1,0,0,0|1,0,1]=4 695 B15R1.4455 CCCC=Cc1cncc(c1C(=O)N)F 271570a_100016258520_100010271514 [0,1,1,0,0,0|2,0,0]=4 696 B15R1.4455 CCCC=Cc1nccc(c1C(=O)C)N 271570a_100016258520_200010729368 [0,1,1,0,0,0|2,0,0]=4 697 B15R1.4455 CCOC=Cc1cccc(c1C(=O)C)F 271570a_100016256518_100012351873 [0,1,1,0,0,0|2,0,0]=4 698 B15R1.4455 CCOC=Cc1cccc(c1C(=O)C)O 271570a_100016256518_100010174959 [0,1,1,0,0,0|2,0,0]=4 699 B15R1.4455 CCOC=Cc1cccc(c1C(=O)N)Cl 271570a_100016256518_100010147686 [0,1,1,0,0,0|2,0,0]=4 700 B15R1.4455 CCOC=Cc1cccc(c1C(=O)N)F 271570a_100016256518_100011219063 [0,1,1,0,0,0|2,0,0]=4 701 B15R1.4455 COCC=Cc1cccc(c1C(=O)C)F 271570a_100016286323_100012351873 [0,1,1,0,0,0|2,0,0]=4 702 B15R1.4455 COCC=Cc1cccc(c1C(=O)C)O 271570a_100016286323_100010174959 [0,1,1,0,0,0|2,0,0]=4 703 B15R1.4455 COCC=Cc1cccc(c1C(=O)N)Cl 271570a_100016286323_100010147686 [0,1,1,0,0,0|2,0,0]=4 704 B15R1.4455 COCC=Cc1cccc(c1C(=O)N)F 271570a_100016286323_100011219063 [0,1,1,0,0,0|2,0,0]=4 705 B15R1.8882 CC(=O)c1ccccc1C=CCC(C)C 271570a_100016259101_100000751169 [0,1,1,0,0,0|1,0,0]=3 706 B15R1.8882 CC(=O)c1cccnc1C=CCC(C)C 271570a_100016259101_100000753718 [0,1,1,0,0,0|2,0,0]=4 707 B15R1.8882 CC(=O)c1ccncc1C=CCC(C)C 271570a_100016259101_100009993184 [0,1,1,0,0,0|2,0,0]=4 708 B15R1.8882 CC(=O)c1cnccc1C=CCC(C)C 271570a_100016259101_100160469449 [0,1,1,0,0,0|2,0,0]=4 709 B15R1.8882 CC(=O)c1ncccc1C=CCC(C)C 271570a_100016259101_100012348690 [0,1,1,0,0,0|2,0,0]=4 710 B15R1.8882 CC(C)CC=Cc1ccccc1B(O)O 271570a_100016259101_100000693059 [0,1,1,0,0,0|1,0,1]=4 711 B15R1.8882 CC(C)CC=Cc1ccccc1C(=O)N 271570a_100016259101_100000162227 [0,1,1,0,0,0|1,0,0]=3 712 B15R1.8882 CC(C)CC=Cc1ccccc1C(C)O 271570a_100016259101_100000702211 [0,1,1,0,0,0|1,0,1]=4 713 B15R1.8882 CC(C)CC=Cc1ccccc1S(=O)C 271570a_100016259101_100000734199 [0,1,1,0,0,0|2,0,0]=4 714 B15R1.8882 CC(C)CC=Cc1cccnc1C(=O)N 271570a_100016259101_200012359670 [0,1,1,0,0,0|2,0,0]=4 715 B15R1.8882 CC(C)CC=Cc1ccncc1C(=O)N 271570a_100016259101_100000697804 [0,1,1,0,0,0|2,0,0]=4 716 B15R1.8882 CC(C)CC=Cc1cnccc1C(=O)N 271570a_100016259101_100010205435 [0,1,1,0,0,0|2,0,0]=4 717 B15R1.8882 CC(C)CC=Cc1ncccc1C(=O)N 271570a_100016259101_100000162199 [0,1,1,0,0,0|2,0,0]=4 718 B15R1.8882 CC(C)CCSc1ccccc1C(=O)O 62a_100000210312_100000734275 [0,1,1,0,0,0|1,0,1]=4 719 B15R1.8882 CC(C)CCSc1ccccc1C(=O)O 62a_202125556159_100000210312 [0,1,1,0,0,0|1,0,1]=4 720 B15R1.8882 CC(C)CNCc1ccccc1C(=O)O 269956a_100015183376_100000210760 [0,1,1,0,0,0|1,0,1]=4 721 B15R1.8882 CC(O)CCSc1ccccc1C(=O)O 62a_100012276601_100000734275 [0,1,1,0,0,0|1,0,1]=4 722 B15R1.8882 CC(O)CCSc1ccccc1C(=O)O 62a_202125556159_100012276601 [0,1,1,0,0,0|1,0,1]=4 723 B15R1.8882 CC(O)CNCc1ccccc1C(=O)O 269956a_100015183376_100011218427 [0,1,1,0,0,0|1,0,1]=4 724 B15R1.8882 C[C@@H](O)CNCc1ccccc1C(=O)O 269956a_100015183376_100009817552 [0,1,1,0,0,0|1,0,1]=4 725 B15R2.5 CCCC=Cc1coc2c1cccc2 271570a_100016258520_100009812202 [1,1,0,0,0,0|2,0,0]=4 726 B15R2.5 CCCC=Cc1csc2c1cccc2 271570a_100016258520_100009813928 [1,1,0,0,0,0|2,0,0]=4 727 B15R2.5 CCCC=Cc1n[nH]c2c1cccc2 271570a_100016258520_100000050141 [1,1,0,0,0,0|2,0,0]=4 728 B15R2.5 CCCC=Cc1ncn2c1cccc2 271570a_100016258520_100000688344 [1,1,0,0,0,0|2,0,0]=4 729 B15R2.73 CCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210303 [1,1,0,0,0,0|1,0,1]=4 730 B15R2.73 CCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210303 [1,1,0,0,0,0|1,0,1]=4 731 B15R2.23388 CCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210414_100010208147 [1,1,0,0,0,0|1,0,1]=4 732 B15R2.23388 CCN(C)C1OC(=O)c2c1cccc2 2230a_100000225621_100009813457 [1,1,0,0,0,0|1,0,1]=4 733 B15R2.23388 CCN(C)C1OC(=O)c2c1cccc2 269982a_100000225621_100009813457 [1,1,0,0,0,0|1,0,1]=4 734 B15R2.53147 CC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200000210301 [1,1,0,0,0,0|0,0,1]=3 735 B15R2.53147 CC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200000210301 [1,1,0,0,0,0|0,0,2]=4 736 B15R2.53147 CC(C)NC1OC(=O)c2c1cccc2 2230a_100138425928_100009813457 [1,1,0,0,0,0|1,0,1]=4 737 B15R2.53147 CC(C)SC1OC(=O)c2c1cccc2 62a_100000210206_100009813457 [1,1,0,0,0,0|1,0,1]=4 738 B15R2.53147 [13CH3]C(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200025704644 [1,1,0,0,0,0|0,0,1]=3 739 B15R2.53147 [13CH3]C(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200025704644 [1,1,0,0,0,0|0,0,2]=4 740 B17R2.12072 CCCC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016258520_100000090176 [0,1,0,0,0,1|1,0,0]=3 741 B17R2.12072 CCCC=Cc1cc(=O)n2ccccc2n1 271570a_100016258520_100000707704 [0,1,0,0,0,1|2,0,0]=4 742 B17R2.12072 CCCC=Cc1cc(c2ccccc2c1)N 271570a_100016258520_100010171453 [0,1,0,0,0,1|2,0,0]=4 743 B17R2.12072 CCCC=Cc1cc(c2ccccc2c1)O 271570a_100016258520_100010089979 [0,1,0,0,0,1|1,0,1]=4 744 B17R2.12072 CCCC=Cc1cc(c2ccccc2n1)C 271570a_100016258520_100012354972 [0,1,0,0,0,1|2,0,0]=4 745 B17R2.12072 CCCC=Cc1cc(c2ccccc2n1)N 271570a_100016258520_100010197925 [0,1,0,0,0,1|2,0,0]=4 746 B17R2.12072 CCCC=Cc1cc2ccccc2c(n1)N 271570a_100016258520_100009957331 [0,1,0,0,0,1|2,0,0]=4 747 B17R2.12072 CCCC=Cc1nc(c2ccccc2n1)C 271570a_100016258520_100000046098 [0,1,0,0,0,1|2,0,0]=4 748 B17R2.12072 CCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210211_100000090176 [0,1,0,0,0,1|1,0,1]=4 749 B17R2.12072 CCCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210211_200015811170 [0,1,0,0,0,1|1,0,1]=4 750 B17R2.12072 CCOC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016256518_100000090176 [0,1,0,0,0,1|1,0,1]=4 751 B17R2.12072 CCOCSc1cc(=O)c2ccccc2[nH]1 62a_100000739092_100000090176 [0,1,0,0,0,1|2,0,0]=4 752 B17R2.12072 CCOCSc1cc2ccccc2c(=O)[nH]1 62a_100000739092_200015811170 [0,1,0,0,0,1|2,0,0]=4 753 B17R2.12072 COCC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016286323_100000090176 [0,1,0,0,0,1|1,0,1]=4 754 B17R2.12072 COCCSc1cc(=O)c2ccccc2[nH]1 62a_100000233755_100000090176 [0,1,0,0,0,1|2,0,0]=4 755 B17R2.12072 COCCSc1cc2ccccc2c(=O)[nH]1 62a_100000233755_200015811170 [0,1,0,0,0,1|2,0,0]=4 756 B17R2.12072 CSCCSc1cc(=O)c2ccccc2[nH]1 62a_100000212216_100000090176 [0,1,0,0,0,1|2,0,0]=4 757 B17R2.12072 CSCCSc1cc2ccccc2c(=O)[nH]1 62a_100000212216_200015811170 [0,1,0,0,0,1|2,0,0]=4 758 B17R2.12072 O=c1[nH]c(cc2c1cccc2)SCCCF 62a_100011934791_200015811170 [0,1,0,0,0,1|2,0,0]=4 759 B17R2.12072 O=c1[nH]c(cc2c1cccc2)SCCCO 62a_100011215043_200015811170 [0,1,0,0,0,1|2,0,0]=4 760 B17R2.12072 O=c1cc([nH]c2c1cccc2)SCCCF 62a_100011934791_100000090176 [0,1,0,0,0,1|2,0,0]=4 761 B17R2.12072 O=c1cc([nH]c2c1cccc2)SCCCO 62a_100011215043_100000090176 [0,1,0,0,0,1|2,0,0]=4 762 B17R2.40403 CC(C)C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016257149_100000090176 [0,1,0,0,0,1|1,0,1]=4 763 B17R2.40403 CC(C)CSc1cc(=O)c2ccccc2[nH]1 62a_100000210624_100000090176 [0,1,0,0,0,1|2,0,0]=4 764 B17R2.40403 CC(C)CSc1cc2ccccc2c(=O)[nH]1 62a_100000210624_200015811170 [0,1,0,0,0,1|2,0,0]=4 765 B17R2.40403 CC(O)C=Cc1cc(=O)c2ccccc2[nH]1 271570a_200011019289_100000090176 [0,1,0,0,0,1|1,0,1]=4 766 B17R2.40403 CC(O)CSc1cc(=O)c2ccccc2[nH]1 62a_100011218427_100000090176 [0,1,0,0,0,1|2,0,0]=4 767 B17R2.40403 CC(O)CSc1cc2ccccc2c(=O)[nH]1 62a_100011218427_200015811170 [0,1,0,0,0,1|2,0,0]=4 768 B17R2.40403 C[C@@H](O)CSc1cc(=O)c2ccccc2[nH]1 62a_100009817552_100000090176 [0,1,0,0,0,1|2,0,0]=4 769 B17R2.40403 C[C@@H](O)CSc1cc2ccccc2c(=O)[nH]1 62a_100009817552_200015811170 [0,1,0,0,0,1|2,0,0]=4 770 B17R2.56354 CCCCc1nc2ccccc2c(=O)n1C 271570a_100020621405_200000215938 [0,1,0,0,0,1|1,0,1]=4 771 B17R2.56354 CCCSc1nc2ccccc2c(=O)n1C 62a_100000210303_200000215938 [0,1,0,0,0,1|2,0,0]=4 772 B17R2.57534 CCC(C)Sc1cc(=O)c2ccccc2[nH]1 62a_100000758301_100000090176 [0,1,0,0,0,1|2,0,0]=4 773 B17R2.57534 CCC(C)Sc1cc2ccccc2c(=O)[nH]1 62a_100000758301_200015811170 [0,1,0,0,0,1|2,0,0]=4 774 B17R2.12118 CCCC=Cc1c[nH]c(=O)c2c1ccnc2 271570a_100016258520_100010090797 [0,1,0,0,0,1|2,0,0]=4 775 B17R2.12118 CCCC=Cc1ccc(c2c1cccc2)Br 271570a_100016258520_100012339872 [0,1,0,0,0,1|2,0,0]=4 776 B17R2.12118 CCCC=Cc1ccc(c2c1cccc2)C 271570a_100016258520_100011215156 [0,1,0,0,0,1|2,0,0]=4 777 B17R2.12118 CCCC=Cc1ccc(c2c1cccc2)F 271570a_100016258520_100011218216 [0,1,0,0,0,1|2,0,0]=4 778 B17R2.12118 CCCC=Cc1ccc(c2c1cccc2)N 271570a_100016258520_100000766797 [0,1,0,0,0,1|2,0,0]=4 779 B17R2.12118 CCCC=Cc1ccc(c2c1cccc2)O 271570a_100016258520_100000186334 [0,1,0,0,0,1|1,0,1]=4 780 B17R2.12118 CCCC=Cc1cnc(c2c1cccc2)C 271570a_100016258520_100010239772 [0,1,0,0,0,1|2,0,0]=4 781 B17R2.12118 CCCC=Cc1cnc(c2c1cccc2)N 271570a_100016258520_100010158575 [0,1,0,0,0,1|2,0,0]=4 782 B17R2.12118 CCCC=Cc1cnc(c2c1cccc2)O 271570a_100016258520_100009816523 [0,1,0,0,0,1|1,0,1]=4 783 B17R2.12118 CCCC=Cc1n[nH]c(=O)c2c1cccc2 271570a_100016258520_100010235092 [0,1,0,0,0,1|1,0,0]=3 784 B17R2.12118 CCCC=Cc1n[nH]c(=O)c2c1cccn2 271570a_100016258520_100021647086 [0,1,0,0,0,1|2,0,0]=4 785 B17R2.12118 CCCC=Cc1n[nH]c(=O)c2c1nccc2 271570a_100016258520_200021304518 [0,1,0,0,0,1|2,0,0]=4 786 B17R2.12118 CCCC=Cc1ncc(c2c1cccc2)C 271570a_100016258520_100000112005 [0,1,0,0,0,1|2,0,0]=4 787 B17R2.12118 CCCC=Cc1ncc(c2c1cccc2)N 271570a_100016258520_200009868590 [0,1,0,0,0,1|2,0,0]=4 788 B17R2.12118 CCCC=Cc1ncc(c2c1cccc2)O 271570a_100016258520_100000067196 [0,1,0,0,0,1|1,0,1]=4 789 B17R2.12118 CCCC=Cc1nnc(c2c1cccc2)C 271570a_100016258520_100000189618 [0,1,0,0,0,1|2,0,0]=4 790 B17R2.12118 CCCCSc1n[nH]c(=O)c2c1cccc2 62a_100000210211_100010235092 [0,1,0,0,0,1|1,0,1]=4 791 B17R2.12118 CCCNCc1c[nH]c(=O)c2c1cccc2 270004a_100020643023_100009868339 [0,1,0,0,0,1|1,0,1]=4 792 B17R2.12118 CCCNN=C1CNC(=O)c2c1cccc2 4a_100000740057_100009878905 [0,1,0,0,0,1|2,0,0]=4 793 B17R2.12118 CCCNN=C1COC(=O)c2c1cccc2 4a_100000740057_200010632819 [0,1,0,0,0,1|1,0,0]=3 794 B17R2.12118 CCNN=Cc1c[nH]c(=O)c2c1cccc2 4a_100000756455_100009868339 [0,1,0,0,0,1|2,0,0]=4 795 B17R2.12118 CCOC=Cc1n[nH]c(=O)c2c1cccc2 271570a_100016256518_100010235092 [0,1,0,0,0,1|1,0,1]=4 796 B17R2.12118 CCOCSc1n[nH]c(=O)c2c1cccc2 62a_100000739092_100010235092 [0,1,0,0,0,1|2,0,0]=4 797 B17R2.12118 COCC=Cc1n[nH]c(=O)c2c1cccc2 271570a_100016286323_100010235092 [0,1,0,0,0,1|1,0,1]=4 798 B17R2.12118 COCCSc1n[nH]c(=O)c2c1cccc2 62a_100000233755_100010235092 [0,1,0,0,0,1|2,0,0]=4 799 B17R2.12118 CSCCSc1n[nH]c(=O)c2c1cccc2 62a_100000212216_100010235092 [0,1,0,0,0,1|2,0,0]=4 800 B17R2.12118 O=C1OCC(=NNCCO)c2c1cccc2 4a_100000210001_200010632819 [0,1,0,0,0,1|2,0,0]=4 801 B17R2.12118 O=c1[nH]nc(c2c1cccc2)SCCCF 62a_100011934791_100010235092 [0,1,0,0,0,1|2,0,0]=4 802 B17R2.12118 O=c1[nH]nc(c2c1cccc2)SCCCO 62a_100011215043_100010235092 [0,1,0,0,0,1|2,0,0]=4 803 B17R2.39629 CC(C)C=Cc1n[nH]c(=O)c2c1cccc2 271570a_100016257149_100010235092 [0,1,0,0,0,1|1,0,1]=4 804 B17R2.39629 CC(C)CSc1n[nH]c(=O)c2c1cccc2 62a_100000210624_100010235092 [0,1,0,0,0,1|2,0,0]=4 805 B17R2.39629 CC(C)NN=C1COC(=O)c2c1cccc2 4a_100000741168_200010632819 [0,1,0,0,0,1|2,0,0]=4 806 B17R2.39629 CC(O)C=Cc1n[nH]c(=O)c2c1cccc2 271570a_200011019289_100010235092 [0,1,0,0,0,1|1,0,1]=4 807 B17R2.39629 CC(O)CSc1n[nH]c(=O)c2c1cccc2 62a_100011218427_100010235092 [0,1,0,0,0,1|2,0,0]=4 808 B17R2.39629 C[C@@H](O)CSc1n[nH]c(=O)c2c1cccc2 62a_100009817552_100010235092 [0,1,0,0,0,1|2,0,0]=4 809 B17R2.50010 CCCC(=O)c1ccc(c2c1cccc2)Br 1458a_100012047197_100000210303 [0,1,0,0,0,1|2,0,0]=4 810 B17R2.50010 CCCC(=O)c1ccc(c2c1cccc2)C 1458a_100011217726_100000210303 [0,1,0,0,0,1|2,0,0]=4 811 B17R2.50010 CCCC(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_100000210303 [0,1,0,0,0,1|2,0,0]=4 812 B17R2.50010 CCCC(=O)c1ccc(c2c1cccc2)F 1458a_100000186238_100000210303 [0,1,0,0,0,1|2,0,0]=4 813 B17R2.153014 CCCCc1cn(c(=O)c2c1cccc2)C 271570a_100020621405_100000239302 [0,1,0,0,0,1|1,0,1]=4 814 B17R2.153014 CCCSc1cn(c(=O)c2c1cccc2)C 62a_100000210303_100000239302 [0,1,0,0,0,1|2,0,0]=4 815 B17R2.153014 CCCSc1cn(c(=O)c2c1cccc2)C 62a_100000239302_100000210303 [0,1,0,0,0,1|2,0,0]=4 816 B17R2.345884 CCCCc1c[nH]c(=O)c2c1cc(cc2)F 271570a_100020621405_100010191626 [0,1,0,0,0,1|1,0,1]=4 817 B17R2.345884 CCCSc1c[nH]c(=O)c2c1cc(cc2)F 62a_100000210303_100010191626 [0,1,0,0,0,1|2,0,0]=4 818 B17R2.345886 CCCCc1ccc(c2c1cccc2)C=O 271570a_100020621405_100012359940 [0,1,0,0,0,1|1,0,1]=4 819 B17R2.345886 CCCSc1ccc(c2c1cccc2)C=O 62a_100012359940_100000210303 [0,1,0,0,0,1|2,0,0]=4 820 B17R2.451963 CCC(C)Sc1n[nH]c(=O)c2c1cccc2 62a_100000758301_100010235092 [0,1,0,0,0,1|2,0,0]=4 821 B17R2.5014 CC(C)C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016257149_100000075698 [0,1,0,0,0,1|1,0,1]=4 822 B17R2.5014 CC(C)CNc1cc(=O)[nH]c2c1cccc2 27a_100000210953_100000075698 [0,1,0,0,0,1|2,0,0]=4 823 B17R2.5014 CC(C)CSc1cc(=O)[nH]c2c1cccc2 62a_100000210624_100000075698 [0,1,0,0,0,1|2,0,0]=4 824 B17R2.5014 CC(O)C=Cc1cc(=O)[nH]c2c1cccc2 271570a_200011019289_100000075698 [0,1,0,0,0,1|1,0,1]=4 825 B17R2.5014 CC(O)CNc1cc(=O)[nH]c2c1cccc2 27a_100000210904_100000075698 [0,1,0,0,0,1|2,0,0]=4 826 B17R2.5014 CC(O)CSc1cc(=O)[nH]c2c1cccc2 62a_100011218427_100000075698 [0,1,0,0,0,1|2,0,0]=4 827 B17R2.5014 C[C@@H](O)CSc1cc(=O)[nH]c2c1cccc2 62a_100009817552_100000075698 [0,1,0,0,0,1|2,0,0]=4 828 B17R2.12128 CCCC=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016258520_100000075698 [0,1,0,0,0,1|1,0,0]=3 829 B17R2.12128 CCCC=Cc1cc(=O)[nH]c2c1cccn2 271570a_100016258520_100010499609 [0,1,0,0,0,1|2,0,0]=4 830 B17R2.12128 CCCC=Cc1cc(cc2c1cccc2)N 271570a_100016258520_100010089974 [0,1,0,0,0,1|2,0,0]=4 831 B17R2.12128 CCCC=Cc1cc(cc2c1cccc2)O 271570a_100016258520_100010001680 [0,1,0,0,0,1|1,0,1]=4 832 B17R2.12128 CCCC=Cc1cc(nc2c1cccc2)C 271570a_100016258520_100000764982 [0,1,0,0,0,1|2,0,0]=4 833 B17R2.12128 CCCC=Cc1nc(cc2c1cccc2)C 271570a_100016258520_100000698243 [0,1,0,0,0,1|2,0,0]=4 834 B17R2.12128 CCCC=Cc1nc(cc2c1cccc2)N 271570a_100016258520_100009814382 [0,1,0,0,0,1|2,0,0]=4 835 B17R2.12128 CCCC=Cc1nc(nc2c1cccc2)C 271570a_100016258520_100000230251 [0,1,0,0,0,1|2,0,0]=4 836 B17R2.12128 CCCCNc1cc(=O)[nH]c2c1cccc2 27a_100000102301_100000075698 [0,1,0,0,0,1|1,0,1]=4 837 B17R2.12128 CCCCSc1cc(=O)[nH]c2c1cccc2 62a_100000210211_100000075698 [0,1,0,0,0,1|1,0,1]=4 838 B17R2.12128 CCCNN=C1CC(=O)Oc2c1cccc2 4a_100000740057_100000047318 [0,1,0,0,0,1|2,0,0]=4 839 B17R2.12128 CCOC=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016256518_100000075698 [0,1,0,0,0,1|1,0,1]=4 840 B17R2.12128 CCOCSc1cc(=O)[nH]c2c1cccc2 62a_100000739092_100000075698 [0,1,0,0,0,1|2,0,0]=4 841 B17R2.12128 COCC=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016286323_100000075698 [0,1,0,0,0,1|1,0,1]=4 842 B17R2.12128 COCCNc1cc(=O)[nH]c2c1cccc2 27a_100000209980_100000075698 [0,1,0,0,0,1|2,0,0]=4 843 B17R2.12128 COCCSc1cc(=O)[nH]c2c1cccc2 62a_100000233755_100000075698 [0,1,0,0,0,1|2,0,0]=4 844 B17R2.12128 CSCCNc1cc(=O)[nH]c2c1cccc2 27a_100020590264_100000075698 [0,1,0,0,0,1|2,0,0]=4 845 B17R2.12128 CSCCSc1cc(=O)[nH]c2c1cccc2 62a_100000212216_100000075698 [0,1,0,0,0,1|2,0,0]=4 846 B17R2.12128 O=c1cc(c2ccccc2[nH]1)NCCCF 27a_100015189416_100000075698 [0,1,0,0,0,1|2,0,0]=4 847 B17R2.12128 O=c1cc(c2ccccc2[nH]1)NCCCO 27a_100000182051_100000075698 [0,1,0,0,0,1|2,0,0]=4 848 B17R2.12128 O=c1cc(c2ccccc2[nH]1)SCCCF 62a_100011934791_100000075698 [0,1,0,0,0,1|2,0,0]=4 849 B17R2.12128 O=c1cc(c2ccccc2[nH]1)SCCCO 62a_100011215043_100000075698 [0,1,0,0,0,1|2,0,0]=4 850 B17R2.50020 CCCC(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_100000210303 [0,1,0,0,0,1|2,0,0]=4 851 B17R2.50020 CCCC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_100000210303 [0,1,0,0,0,1|1,0,1]=4 852 B17R2.50020 CCCN(C)c1cc(=O)[nH]c2c1cccc2 27a_100000747261_100000075698 [0,1,0,0,0,1|2,0,0]=4 853 B17R2.339149 CCCOc1cc(=O)oc2c1ccc(c2)Br 7a_100010062223_100000210303 [0,1,0,0,0,1|2,0,0]=4 854 B17R2.339149 CCCOc1cc(=O)oc2c1ccc(c2)F 7a_100009876825_100000210303 [0,1,0,0,0,1|2,0,0]=4 855 B17R2.451970 CCC(C)Sc1cc(=O)[nH]c2c1cccc2 62a_100000758301_100000075698 [0,1,0,0,0,1|2,0,0]=4 856 B17R2.1073232 CCCOc1cc(=O)oc2c1cc(cc2)Br 7a_100009814091_100000210303 [0,1,0,0,0,1|2,0,0]=4 857 B17R2.1073232 CCCOc1cc(=O)oc2c1cc(cc2)C 7a_100000008869_100000210303 [0,1,0,0,0,1|2,0,0]=4 858 B17R2.1073232 CCCOc1cc(=O)oc2c1cc(cc2)Cl 7a_100000038020_100000210303 [0,1,0,0,0,1|2,0,0]=4 859 B17R2.1073232 CCCOc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_100000210303 [0,1,0,0,0,1|2,0,0]=4 860 B17R2.1073232 CCCOc1cc(=O)oc2c1cc(cc2)F 7a_100000038269_100000210303 [0,1,0,0,0,1|2,0,0]=4 861 B17R2.19030 C#CCCCSC1OC(=O)c2c1cccc2 62a_100011215417_100009813457 [0,2,0,0,0,0|1,0,1]=4 862 B17R2.19030 C=CCCCNC1OC(=O)c2c1cccc2 2230a_100000700776_100009813457 [0,2,0,0,0,0|1,0,1]=4 863 B17R2.19030 C=CCCCSC1OC(=O)c2c1cccc2 62a_100011713584_100009813457 [0,2,0,0,0,0|1,0,1]=4 864 B17R2.19030 CC/C=C\CSC1OC(=O)c2c1cccc2 62a_100103147603_100009813457 [0,2,0,0,0,0|0,0,2]=4 865 B17R2.19030 CCC#CCSC1OC(=O)c2c1cccc2 62a_100009813939_100009813457 [0,2,0,0,0,0|1,0,1]=4 866 B17R2.19030 CCCCCNC1OC(=O)c2c1cccc2 2230a_100000209983_100009813457 [0,2,0,0,0,0|0,0,2]=4 867 B17R2.19030 CCCCCSC1OC(=O)c2c1cccc2 62a_100000210326_100009813457 [0,2,0,0,0,0|0,0,2]=4 868 B17R2.19030 CCOCCNC1OC(=O)c2c1cccc2 2230a_102516460346_100009813457 [0,2,0,0,0,0|0,0,2]=4 869 B17R2.19030 CCOCCSC1OC(=O)c2c1cccc2 62a_100000210147_100009813457 [0,2,0,0,0,0|0,0,2]=4 870 B17R2.19030 CCSCCNC1OC(=O)c2c1cccc2 2230a_100000106463_100009813457 [0,2,0,0,0,0|0,0,2]=4 871 B17R2.19030 CCSCCSC1OC(=O)c2c1cccc2 62a_100000757381_100009813457 [0,2,0,0,0,0|0,0,2]=4 872 B17R2.19030 COCCCSC1OC(=O)c2c1cccc2 62a_100000709357_100009813457 [0,2,0,0,0,0|0,0,2]=4 873 B17R2.19030 CSCCCNC1OC(=O)c2c1cccc2 2230a_100000749238_100009813457 [0,2,0,0,0,0|0,0,2]=4 874 B17R2.19030 N#CCCCSC1OC(=O)c2c1cccc2 62a_100000687738_100009813457 [0,2,0,0,0,0|1,0,1]=4 875 B17R2.19030 O=C1OC(c2c1cccc2)NCCCCO 2230a_100000750430_100009813457 [0,2,0,0,0,0|0,0,2]=4 876 B17R2.19030 O=C1OC(c2c1cccc2)SCCCCF 62a_100000729493_100009813457 [0,2,0,0,0,0|0,0,2]=4 877 B17R2.19030 O=C1OC(c2c1cccc2)SCCCCO 62a_100000210776_100009813457 [0,2,0,0,0,0|0,0,2]=4 878 B17R2.19030 O=CCCCSC1OC(=O)c2c1cccc2 62a_200011292268_100009813457 [0,2,0,0,0,0|1,0,1]=4 879 B17R2.49523 C#CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000184674 [0,2,0,0,0,0|0,0,2]=4 880 B17R2.49523 C=CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210623 [0,2,0,0,0,0|0,0,2]=4 881 B17R2.49523 CC(CCO)SC1OC(=O)c2c1cccc2 62a_100009893172_100009813457 [0,2,0,0,0,0|1,0,1]=4 882 B17R2.49523 CCCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210303 [0,2,0,0,0,0|0,0,0]=2 883 B17R2.49523 CCCC(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_100000210303 [0,2,0,0,0,0|1,0,1]=4 884 B17R2.49523 CCCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210303 [0,2,0,0,0,0|0,0,1]=3 885 B17R2.49523 CCCC(=O)NC1NC(=O)c2c1cccc2 1626a_100016086272_100000211992 [0,2,0,0,0,0|1,0,1]=4 886 B17R2.49523 CCCC(=O)NC1NC(=O)c2c1cccc2 240690a_100016086272_100000211992 [0,2,0,0,0,0|1,0,1]=4 887 B17R2.49523 CCCC(=O)NC1NC(=O)c2c1cccc2 527a_100016086272_100000211992 [0,2,0,0,0,0|1,0,1]=4 888 B17R2.49523 CCCC(C)NC1OC(=O)c2c1cccc2 2230a_100000741246_100009813457 [0,2,0,0,0,0|0,0,2]=4 889 B17R2.49523 CCCC(C)SC1OC(=O)c2c1cccc2 62a_100000766640_100009813457 [0,2,0,0,0,0|0,0,2]=4 890 B17R2.49523 CCNC(=O)C=C1OC(=O)c2c1cccc2 240690a_100015525214_200000693922 [0,2,0,0,0,0|0,0,1]=3 891 B17R2.49523 CCNC(=O)CC1OC(=O)c2c1cccc2 11a_100015525214_100000185305 [0,2,0,0,0,0|1,0,1]=4 892 B17R2.49523 CCNC(=O)CC1OC(=O)c2c1cccc2 240690a_100015525214_100000185305 [0,2,0,0,0,0|1,0,1]=4 893 B17R2.49523 CCNC(=O)CC1OC(=O)c2c1cccc2 527a_100015525214_100000185305 [0,2,0,0,0,0|1,0,1]=4 894 B17R2.49523 CNNC(=O)C=C1OC(=O)c2c1cccc2 22a_100016993582_200000693922 [0,2,0,0,0,0|1,0,1]=4 895 B17R2.49523 COCC(C)SC1OC(=O)c2c1cccc2 62a_100000765312_100009813457 [0,2,0,0,0,0|1,0,1]=4 896 B17R2.49523 COC[C@@H](C)NC1OC(=O)c2c1cccc2 2230a_100000764878_100009813457 [0,2,0,0,0,0|1,0,1]=4 897 B17R2.49523 C[C@H](CCO)NC1OC(=O)c2c1cccc2 2230a_100000706166_100009813457 [0,2,0,0,0,0|1,0,1]=4 898 B17R2.49523 N#CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100011214920 [0,2,0,0,0,0|0,0,2]=4 899 B17R2.49523 O=C(C=C1OC(=O)c2c1cccc2)CCF 1458a_200000693922_100011217306 [0,2,0,0,0,0|0,0,1]=3 900 B17R2.49523 O=C(C=C1OC(=O)c2c1cccc2)CCO 1458a_200000693922_100000211926 [0,2,0,0,0,0|0,0,1]=3 901 B17R2.49523 O=C(CCF)CC1OC(=O)c2c1cccc2 1458a_100000185305_100011217306 [0,2,0,0,0,0|1,0,1]=4 902 B17R2.49523 O=C(CCO)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000211926 [0,2,0,0,0,0|1,0,1]=4 903 B17R2.78537 C=C(C)CCSC1OC(=O)c2c1cccc2 62a_100000730704_100009813457 [0,2,0,0,0,0|1,0,1]=4 904 B17R2.78537 CC(=O)CCSC1OC(=O)c2c1cccc2 62a_100000053229_100009813457 [0,2,0,0,0,0|1,0,1]=4 905 B17R2.78537 CC(C)CCSC1OC(=O)c2c1cccc2 62a_100000210312_100009813457 [0,2,0,0,0,0|0,0,2]=4 906 B17R2.78537 CC(C)OCSC1OC(=O)c2c1cccc2 62a_100000709892_100009813457 [0,2,0,0,0,0|1,0,1]=4 907 B17R2.78537 CC(O)CCNC1OC(=O)c2c1cccc2 2230a_200000755665_100009813457 [0,2,0,0,0,0|0,0,2]=4 908 B17R2.78537 CC(O)CCSC1OC(=O)c2c1cccc2 62a_100012276601_100009813457 [0,2,0,0,0,0|0,0,2]=4 909 B17R2.87547 CCC(=O)CSC1OC(=O)c2c1cccc2 62a_100000747405_100009813457 [0,2,0,0,0,0|1,0,1]=4 910 B17R2.87547 CCC(C)CNC1OC(=O)c2c1cccc2 2230a_100020588543_100009813457 [0,2,0,0,0,0|0,0,2]=4 911 B17R2.87547 CCC(C)CSC1OC(=O)c2c1cccc2 62a_100000748023_100009813457 [0,2,0,0,0,0|0,0,2]=4 912 B17R2.87547 CCC(O)CNC1OC(=O)c2c1cccc2 2230a_100011218483_100009813457 [0,2,0,0,0,0|0,0,2]=4 913 B17R2.87547 CCC(O)CSC1OC(=O)c2c1cccc2 62a_100011218378_100009813457 [0,2,0,0,0,0|0,0,2]=4 914 B17R2.87547 CC[C@H](C)CSC1OC(=O)c2c1cccc2 62a_100009816398_100009813457 [0,2,0,0,0,0|0,0,2]=4 915 B17R2.87547 CO[C@H](C)CNC1OC(=O)c2c1cccc2 2230a_100020591295_100009813457 [0,2,0,0,0,0|1,0,1]=4 916 B17R2.87547 C[C@@H](CO)CSC1OC(=O)c2c1cccc2 62a_100000059175_100009813457 [0,2,0,0,0,0|1,0,1]=4 917 B17R2.87547 O=C1OC(c2c1cccc2)NC[C@H](O)CO 2230a_100020644852_100009813457 [0,2,0,0,0,0|1,0,1]=4 918 B17R2.87547 O=C1OC(c2c1cccc2)SCC(O)CO 62a_100011219619_100009813457 [0,2,0,0,0,0|1,0,1]=4 919 B17R2.87547 O=C1OC(c2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100009813457 [0,2,0,0,0,0|1,0,1]=4 920 B17R2.87547 O=C1OC(c2c1cccc2)SC[C@@H](O)CO 62a_100009815848_100009813457 [0,2,0,0,0,0|1,0,1]=4 921 B17R2.159317 CCCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210183_100010208147 [0,2,0,0,0,0|1,0,1]=4 922 B17R2.159317 CCCCN(C)C1OC(=O)c2c1cccc2 2230a_100000207549_100009813457 [0,2,0,0,0,0|0,0,2]=4 923 B17R2.159317 CCCCN(C)C1OC(=O)c2c1cccc2 269982a_100000207549_100009813457 [0,2,0,0,0,0|0,0,2]=4 924 B17R2.159317 CCOCC(=O)C1CC(=O)c2c1cccc2 1458a_100000211967_100010208147 [0,2,0,0,0,0|1,0,1]=4 925 B17R2.159317 CCSCC(=O)C1CC(=O)c2c1cccc2 1458a_100000230394_100010208147 [0,2,0,0,0,0|1,0,1]=4 926 B17R2.159317 CN(CCCO)C1OC(=O)c2c1cccc2 2230a_100000213112_100009813457 [0,2,0,0,0,0|1,0,1]=4 927 B17R2.159317 CN(CCCO)C1OC(=O)c2c1cccc2 269982a_100000213112_100009813457 [0,2,0,0,0,0|1,0,1]=4 928 B17R2.159317 COCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000749529_100010208147 [0,2,0,0,0,0|1,0,1]=4 929 B17R2.159317 COCCN(C)C1OC(=O)c2c1cccc2 2230a_100000743101_100009813457 [0,2,0,0,0,0|1,0,1]=4 930 B17R2.159317 COCCN(C)C1OC(=O)c2c1cccc2 269982a_100000743101_100009813457 [0,2,0,0,0,0|1,0,1]=4 931 B17R2.159317 CSCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000174002_100010208147 [0,2,0,0,0,0|1,0,1]=4 932 B17R2.159317 CSCCN(C)C1OC(=O)c2c1cccc2 2230a_100000686725_100009813457 [0,2,0,0,0,0|1,0,1]=4 933 B17R2.159317 CSCCN(C)C1OC(=O)c2c1cccc2 269982a_100000686725_100009813457 [0,2,0,0,0,0|1,0,1]=4 934 B17R2.35876 CCC(C)(C)NC1OC(=O)c2c1cccc2 2230a_100000211385_100009813457 [0,2,0,0,0,0|1,0,1]=4 935 B17R2.35876 CCC(C)(C)SC1OC(=O)c2c1cccc2 62a_100000032637_100009813457 [0,2,0,0,0,0|1,0,1]=4 936 B17R2.43624 CCC(CC)NC1OC(=O)c2c1cccc2 2230a_100000199018_100009813457 [0,2,0,0,0,0|1,0,1]=4 937 B17R2.43624 CCC(CC)SC1OC(=O)c2c1cccc2 62a_100000210505_100009813457 [0,2,0,0,0,0|1,0,1]=4 938 B17R2.43624 CC[C@@H](CO)NC1OC(=O)c2c1cccc2 2230a_100000709445_100009813457 [0,2,0,0,0,0|1,0,1]=4 939 B17R2.78536 CC(C)C(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210206 [0,2,0,0,0,0|0,0,1]=3 940 B17R2.78536 CC(C)C(C)NC1OC(=O)c2c1cccc2 2230a_100000211541_100009813457 [0,2,0,0,0,0|1,0,1]=4 941 B17R2.78536 CN(C)C(=O)C=C1OC(=O)c2c1cccc2 240690a_100102631434_200000693922 [0,2,0,0,0,0|1,0,1]=4 942 B17R2.447214 CCC(C)C(=O)C1CC(=O)c2c1cccc2 1458a_100011192722_100010208147 [0,2,0,0,0,0|1,0,1]=4 943 B17R2.447214 CCC(C)N(C)C1OC(=O)c2c1cccc2 2230a_100000741768_100009813457 [0,2,0,0,0,0|1,0,1]=4 944 B17R2.447214 CCC(C)N(C)C1OC(=O)c2c1cccc2 269982a_100000741768_100009813457 [0,2,0,0,0,0|1,0,1]=4 945 B17R2.447214 CCC(O)C(=O)C1CC(=O)c2c1cccc2 1458a_100011196387_100010208147 [0,2,0,0,0,0|1,0,1]=4 946 B17R2.78535 CC(C)CC(=O)C1CC(=O)c2c1cccc2 1458a_100000210554_100010208147 [0,2,0,0,0,0|1,0,1]=4 947 B17R2.78535 CC(C)CN(C)C1OC(=O)c2c1cccc2 2230a_100000747067_100009813457 [0,2,0,0,0,0|1,0,1]=4 948 B17R2.78535 CC(C)CN(C)C1OC(=O)c2c1cccc2 269982a_100000747067_100009813457 [0,2,0,0,0,0|1,0,1]=4 949 B17R2.78535 CC(O)CN(C)C1OC(=O)c2c1cccc2 2230a_100000227577_100009813457 [0,2,0,0,0,0|1,0,1]=4 950 B17R2.78535 CC(O)CN(C)C1OC(=O)c2c1cccc2 269982a_100000227577_100009813457 [0,2,0,0,0,0|1,0,1]=4 951 B17R2.78535 C[C@@H](O)CC(=O)C1CC(=O)c2c1cccc2 1458a_100011933948_100010208147 [0,2,0,0,0,0|1,0,1]=4 952 B17R2.814993 CC(C)(C)CNC1OC(=O)c2c1cccc2 2230a_100000743828_100009813457 [0,2,0,0,0,0|1,0,1]=4 953 B17R2.814993 CC(C)(C)CSC1OC(=O)c2c1cccc2 62a_100011219605_100009813457 [0,2,0,0,0,0|1,0,1]=4 954 B17R2.814993 CC(C)(F)CNC1OC(=O)c2c1cccc2 2230a_100020643315_100009813457 [0,2,0,0,0,0|1,0,1]=4 955 B17R2.814993 CC(C)(F)CSC1OC(=O)c2c1cccc2 62a_100011997219_100009813457 [0,2,0,0,0,0|1,0,1]=4 956 B17R2.814993 CC(C)(O)CNC1OC(=O)c2c1cccc2 2230a_100000751335_100009813457 [0,2,0,0,0,0|1,0,1]=4 957 B17R2.814993 CC(C)(O)CSC1OC(=O)c2c1cccc2 62a_100000764493_100009813457 [0,2,0,0,0,0|1,0,1]=4 958 B17R2.445734 CCCN(CC)C1OC(=O)c2c1cccc2 2230a_100000226822_100009813457 [0,2,0,0,0,0|1,0,1]=4 959 B17R2.445734 CCCN(CC)C1OC(=O)c2c1cccc2 269982a_100000226822_100009813457 [0,2,0,0,0,0|1,0,1]=4 960 B15R2.66 CCCc1ccc(s1)c2ccccc2 271570a_100011218836_100010157708 [0,0,1,1,0,0|1,1,0]=4 961 B15R2.66 CCCc1noc(n1)c2ccccc2 270196a_100011193412_100000185807 [0,0,1,1,0,0|2,0,0]=4 962 B15R2.66 CCSc1coc(n1)c2ccccc2 62a_100000210202_100010163736 [0,0,1,1,0,0|2,0,0]=4 963 B15R2.66 CCSc1coc(n1)c2ccccc2 62a_100010163736_100000210202 [0,0,1,1,0,0|2,0,0]=4 964 B15R2.66 CNCc1coc(n1)c2ccccc2 207a_100102657272_100000051037 [0,0,1,1,0,0|2,0,0]=4 965 B15R2.66 CNCc1coc(n1)c2ccccc2 2230a_106832991635_100000181476 [0,0,1,1,0,0|2,0,0]=4 966 B15R2.66 CNCc1coc(n1)c2ccccc2 270004a_106832991635_100000051037 [0,0,1,1,0,0|2,0,0]=4 967 B15R2.66 CNCc1coc(n1)c2ccccc2 34a_100102657272_100000181476 [0,0,1,1,0,0|2,0,0]=4 968 B15R2.66 CNCc1coc(n1)c2ccccc2 7a_106832991635_100000181476 [0,0,1,1,0,0|2,0,0]=4 969 B15R2.66 COCc1coc(n1)c2ccccc2 34a_100138415774_100000181476 [0,0,1,1,0,0|2,0,0]=4 970 B15R2.66 CSCc1coc(n1)c2ccccc2 62a_100000181476_200000210301 [0,0,1,1,0,0|2,0,0]=4 971 B15R2.66 CSCc1coc(n1)c2ccccc2 62a_200000210301_100000181476 [0,0,1,1,0,0|2,0,0]=4 972 B15R2.66 [13CH3]SCc1coc(n1)c2ccccc2 62a_100000181476_200025704644 [0,0,1,1,0,0|2,0,0]=4 973 B15R2.66 [13CH3]SCc1coc(n1)c2ccccc2 62a_200025704644_100000181476 [0,0,1,1,0,0|2,0,0]=4 974 B15R2.2226 O=C(c1ccccc1)C2C=CCCC2 1458a_100000185807_100000751183 [0,0,1,1,0,0|1,0,0]=3 975 B15R2.4382 CNCc1c[nH]c(=O)c2c1cccc2 270004a_106832991635_100009868339 [0,0,1,1,0,0|2,0,0]=4 976 B15R2.16439 O=C(NN=C1CCC1)c2ccccc2 4a_100000184135_100000241760 [0,0,1,1,0,0|2,0,0]=4 977 B15R2.16439 O=C(OCN1CCC1)c2ccccc2 269982a_100000754969_100000073877 [0,0,1,1,0,0|1,0,1]=4 978 B15R2.16442 O=C(NN=CC1CC1)c2ccccc2 4a_100000184135_100000741477 [0,0,1,1,0,0|2,0,0]=4 979 B15R2.16442 O=C(OCSC1CC1)c2ccccc2 62a_100000073877_100000211595 [0,0,1,1,0,0|1,0,1]=4 980 B15R2.886 CCSc1cc(c2ccccc2c1)O 62a_100000210202_100010089979 [0,0,1,1,0,0|2,0,0]=4 981 B15R2.886 CCSc1cc2ccccc2c(=O)[nH]1 62a_100000210202_200015811170 [0,0,1,1,0,0|2,0,0]=4 982 B15R2.1221 CC(=O)c1ccccc1C2=CCCC2 271570a_100000089523_100000751169 [0,0,1,1,0,0|1,0,0]=3 983 B15R2.1221 CC(=O)c1ccccc1C2=CCOC2 271570a_100009872500_100000751169 [0,0,1,1,0,0|2,0,0]=4 984 B15R2.1221 CC(=O)c1ccccc1C2=COCC2 271570a_100000118173_100000751169 [0,0,1,1,0,0|2,0,0]=4 985 B15R2.1221 CC(=O)c1cccnc1C2=CCCC2 271570a_100000089523_100000753718 [0,0,1,1,0,0|2,0,0]=4 986 B15R2.1221 CC(=O)c1ccncc1C2=CCCC2 271570a_100000089523_100009993184 [0,0,1,1,0,0|2,0,0]=4 987 B15R2.1221 CC(=O)c1cnccc1C2=CCCC2 271570a_100000089523_100160469449 [0,0,1,1,0,0|2,0,0]=4 988 B15R2.1221 CC(=O)c1ncccc1C2=CCCC2 271570a_100000089523_100012348690 [0,0,1,1,0,0|2,0,0]=4 989 B15R2.1221 CC(O)c1ccccc1C2=CCCC2 271570a_100000089523_100000702211 [0,0,1,1,0,0|1,0,1]=4 990 B15R2.1221 CS(=O)c1ccccc1C2=CCCC2 271570a_100000089523_100000734199 [0,0,1,1,0,0|2,0,0]=4 991 B15R2.1221 NC(=O)c1ccccc1C2=CCCC2 271570a_100000089523_100000162227 [0,0,1,1,0,0|1,0,0]=3 992 B15R2.1221 NC(=O)c1ccccc1C2=CCOC2 271570a_100009872500_100000162227 [0,0,1,1,0,0|2,0,0]=4 993 B15R2.1221 NC(=O)c1ccccc1C2=COCC2 271570a_100000118173_100000162227 [0,0,1,1,0,0|2,0,0]=4 994 B15R2.1221 NC(=O)c1cccnc1C2=CCCC2 271570a_100000089523_100000162199 [0,0,1,1,0,0|2,0,0]=4 995 B15R2.1221 NC(=O)c1ccncc1C2=CCCC2 271570a_100000089523_100010205435 [0,0,1,1,0,0|2,0,0]=4 996 B15R2.1221 NC(=O)c1cnccc1C2=CCCC2 271570a_100000089523_100000697804 [0,0,1,1,0,0|2,0,0]=4 997 B15R2.1221 NC(=O)c1ncccc1C2=CCCC2 271570a_100000089523_200012359670 [0,0,1,1,0,0|2,0,0]=4 998 B15R2.1221 OB(O)c1ccccc1C2=CCCC2 271570a_100000089523_100000693059 [0,0,1,1,0,0|1,0,1]=4 999 B15R2.16319 CC(=O)c1ccccc1C=CC2CC2 271570a_100102526188_100000751169 [0,0,1,1,0,0|1,0,0]=3 1000 B15R2.16319 CC(=O)c1cccnc1C=CC2CC2 271570a_100102526188_100000753718 [0,0,1,1,0,0|2,0,0]=4 1001 B15R2.16319 CC(=O)c1ccncc1C=CC2CC2 271570a_100102526188_100009993184 [0,0,1,1,0,0|2,0,0]=4 1002 B15R2.16319 CC(=O)c1cnccc1C=CC2CC2 271570a_100102526188_100160469449 [0,0,1,1,0,0|2,0,0]=4 1003 B15R2.16319 CC(=O)c1ncccc1C=CC2CC2 271570a_100102526188_100012348690 [0,0,1,1,0,0|2,0,0]=4 1004 B15R2.16319 CC(O)c1ccccc1C=CC2CC2 271570a_100102526188_100000702211 [0,0,1,1,0,0|1,0,1]=4 1005 B15R2.16319 CS(=O)c1ccccc1C=CC2CC2 271570a_100102526188_100000734199 [0,0,1,1,0,0|2,0,0]=4 1006 B15R2.16319 NC(=O)c1ccccc1C=CC2CC2 271570a_100102526188_100000162227 [0,0,1,1,0,0|1,0,0]=3 1007 B15R2.16319 NC(=O)c1cccnc1C=CC2CC2 271570a_100102526188_100000162199 [0,0,1,1,0,0|2,0,0]=4 1008 B15R2.16319 NC(=O)c1ccncc1C=CC2CC2 271570a_100102526188_100010205435 [0,0,1,1,0,0|2,0,0]=4 1009 B15R2.16319 NC(=O)c1cnccc1C=CC2CC2 271570a_100102526188_100000697804 [0,0,1,1,0,0|2,0,0]=4 1010 B15R2.16319 NC(=O)c1ncccc1C=CC2CC2 271570a_100102526188_200012359670 [0,0,1,1,0,0|2,0,0]=4 1011 B15R2.16319 O=C(O)c1ccccc1CNC2CC2 269956a_100015183376_100000211595 [0,0,1,1,0,0|1,0,1]=4 1012 B15R2.16319 O=C(O)c1ccccc1SCC2CC2 62a_100000756562_100000734275 [0,0,1,1,0,0|1,0,1]=4 1013 B15R2.16319 O=C(O)c1ccccc1SCC2CC2 62a_202125556159_100000742324 [0,0,1,1,0,0|1,0,1]=4 1014 B15R2.16319 OB(O)c1ccccc1C=CC2CC2 271570a_100102526188_100000693059 [0,0,1,1,0,0|1,0,1]=4 1015 B15R2.16320 O=C(O)c1ccccc1SC2CCC2 62a_202125556159_100000749161 [0,0,1,1,0,0|1,0,1]=4 1016 B15R2.2189 Cc1ccc(o1)c2ccccc2C=O 271570a_100000061910_100000211189 [0,0,1,1,0,0|0,0,2]=4 1017 B15R2.2220 CCNc1ccc2ccccc2c1O 34a_100000007060_100000210202 [0,0,1,1,0,0|2,0,0]=4 1018 B15R2.2220 CCOc1ccc2ccccc2c1O 271570a_203496583355_200000173018 [0,0,1,1,0,0|2,0,0]=4 1019 B15R2.2220 CCSc1ccc2ccccc2c1O 62a_100000210202_100009996032 [0,0,1,1,0,0|2,0,0]=4 1020 B15R2.2220 COCc1ccc2ccccc2c1O 271570a_203496583355_200009813570 [0,0,1,1,0,0|2,0,0]=4 1021 B17R3.4692 O=c1cc(c2ccccc2[nH]1)N3CCC3 27a_100000754969_100000075698 [0,0,0,1,0,1|2,0,0]=4 1022 B17R3.4693 O=c1cc(c2ccccc2[nH]1)NC3CC3 27a_100000212008_100000075698 [0,0,0,1,0,1|2,0,0]=4 1023 B17R3.7829 O=C1OC(c2c1cccc2)N3CCCC3 2230a_100000188435_100009813457 [0,1,0,1,0,0|0,0,2]=4 1024 B17R3.7829 O=C1OC(c2c1cccc2)N3CCCC3 269982a_100000188435_100009813457 [0,1,0,1,0,0|0,0,2]=4 1025 B17R3.7829 O=C1OC(c2c1cccc2)N3CCSC3 2230a_100011215254_100009813457 [0,1,0,1,0,0|1,0,1]=4 1026 B17R3.7829 O=C1OC(c2c1cccc2)N3CCSC3 269982a_100011215254_100009813457 [0,1,0,1,0,0|1,0,1]=4 1027 B17R3.60848 CC1CCN1C2OC(=O)c3c2cccc3 269982a_100000755817_100009813457 [0,1,0,1,0,0|0,0,2]=4 1028 B17R3.102388 O=C1OC(c2c1cccc2)N[C@@H]3C[C@@H]3F 2230a_100015190264_100009813457 [0,1,0,1,0,0|1,0,1]=4 1029 B17R3.102388 O=C1OC(c2c1cccc2)N[C@@H]3C[C@H]3F 2230a_100025746932_100009813457 [0,1,0,1,0,0|1,0,1]=4 1030 B17R3.102389 O=C1OC(c2c1cccc2)NC3CCC3 2230a_100000749019_100009813457 [0,1,0,1,0,0|0,0,2]=4 1031 B17R3.102389 O=C1OC(c2c1cccc2)NC3COC3 2230a_100016991112_100009813457 [0,1,0,1,0,0|1,0,1]=4 1032 B17R3.102390 O=C1OC(c2c1cccc2)NCC3CC3 2230a_100000735609_100009813457 [0,1,0,1,0,0|0,0,2]=4 1033 B17R3.102390 O=C1OC(c2c1cccc2)SCC3CC3 62a_100000756562_100009813457 [0,1,0,1,0,0|0,0,2]=4 1034 B17R3.102390 O=C1OC(c2c1cccc2)SCC3CO3 62a_102125554688_100009813457 [0,1,0,1,0,0|1,0,1]=4 1035 B17R3.102390 O=C1OC(c2c1cccc2)SCC3CS3 62a_100000031435_100009813457 [0,1,0,1,0,0|1,0,1]=4 1036 B17R3.102390 O=C1OC(c2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100009813457 [0,1,0,1,0,0|1,0,1]=4 1037 B17R3.1722140 CC1(CC1)NC2OC(=O)c3c2cccc3 2230a_100000757604_100009813457 [0,1,0,1,0,0|1,0,1]=4 1038 B17R3.59758 CC1CN(C1)C2OC(=O)c3c2cccc3 2230a_100000702820_100009813457 [0,1,0,1,0,0|1,0,1]=4 1039 B17R3.59758 CC1CN(C1)C2OC(=O)c3c2cccc3 269982a_100000702820_100009813457 [0,1,0,1,0,0|1,0,1]=4 1040 B17R3.59758 O=C1OC(c2c1cccc2)N3CC(C3)F 2230a_100000690557_100009813457 [0,1,0,1,0,0|1,0,1]=4 1041 B17R3.59758 O=C1OC(c2c1cccc2)N3CC(C3)F 269982a_100000690557_100009813457 [0,1,0,1,0,0|1,0,1]=4 1042 B17R3.59758 O=C1OC(c2c1cccc2)N3CC(C3)O 269982a_100000749847_100009813457 [0,1,0,1,0,0|1,0,1]=4 1043 B17R3.1003899 CN(C1CC1)C2OC(=O)c3c2cccc3 2230a_100000226674_100009813457 [0,1,0,1,0,0|1,0,1]=4 1044 B17R3.1003899 CN(C1CC1)C2OC(=O)c3c2cccc3 269982a_100000226674_100009813457 [0,1,0,1,0,0|1,0,1]=4 1045 B17R3.1003899 O=C1CC(c2c1cccc2)C(=O)C3CC3 1458a_100000210395_100010208147 [0,1,0,1,0,0|1,0,1]=4 1046 B13R1.670 CCCC=Cc1ccsc1C(=O)C 271570a_100016258520_100000738688 [0,0,1,0,1,0|2,0,0]=4 1047 B13R1.670 CCCC=Cc1cscc1C(=O)N 271570a_100016258520_100009817205 [0,0,1,0,1,0|2,0,0]=4 1048 B15R1.83 CCC/C=C/CC(=O)Cc1ccccc1 1458a_200016266809_100015291786 [0,0,1,0,0,1|1,0,0]=3 1049 B15R1.83 CCC/C=C/CC(=O)Cc1ccccn1 1458a_200016266809_100000721315 [0,0,1,0,0,1|2,0,0]=4 1050 B15R1.83 CCC/C=C/CC(=O)Cc1cccnc1 1458a_200016266809_100000733263 [0,0,1,0,0,1|2,0,0]=4 1051 B15R1.83 CCC/C=C/CC(=O)Cc1ccncc1 1458a_200016266809_100000705612 [0,0,1,0,0,1|2,0,0]=4 1052 B15R1.83 CCC/C=C/CC(=O)Nc1ccccc1 11a_100000106764_200016266809 [0,0,1,0,0,1|1,0,0]=3 1053 B15R1.83 CCC/C=C/CC(=O)Nc1ccccc1 1626a_100000106764_200016266809 [0,0,1,0,0,1|1,0,0]=3 1054 B15R1.83 CCC/C=C/CC(=O)Nc1ccccc1 22a_100000106764_200016266809 [0,0,1,0,0,1|1,0,0]=3 1055 B15R1.83 CCC/C=C/CC(=O)Nc1ccccc1 527a_100000106764_200016266809 [0,0,1,0,0,1|1,0,0]=3 1056 B15R1.83 CCCC=NNC(=O)Cc1ccccc1 4a_100000182964_100000185831 [0,0,1,0,0,1|2,0,0]=4 1057 B15R1.83 CCCCC=CC(=O)Cc1ccccc1 1458a_100016266645_100015291786 [0,0,1,0,0,1|1,0,1]=4 1058 B15R1.83 CCCCC=CC(=O)Nc1ccccc1 11a_100000106764_100016266645 [0,0,1,0,0,1|1,0,1]=4 1059 B15R1.83 CCCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100016266645 [0,0,1,0,0,1|1,0,1]=4 1060 B15R1.83 CCCCC=CC(=O)Nc1ccccc1 22a_100000106764_100016266645 [0,0,1,0,0,1|1,0,1]=4 1061 B15R1.1188 CCCC=Cc1ccccc1CC(=O)C 271570a_100016258520_100011350739 [0,0,1,0,0,1|1,0,0]=3 1062 B15R1.1188 CCCC=Cc1ccccc1CC(=O)N 271570a_100016258520_200009814924 [0,0,1,0,0,1|1,0,0]=3 1063 B15R1.1188 CCCC=Cc1ccccc1NC(=O)C 271570a_100016258520_100000153524 [0,0,1,0,0,1|1,0,0]=3 1064 B15R1.1188 CCCC=Cc1ccccc1NC(=O)N 271570a_100016258520_100000742221 [0,0,1,0,0,1|1,0,0]=3 1065 B15R1.1188 CCCC=Cc1ccccc1OC(=O)C 271570a_100016258520_100000051690 [0,0,1,0,0,1|1,0,0]=3 1066 B15R1.1188 CCCC=Cc1cnccc1NC(=O)C 271570a_100016258520_100016132053 [0,0,1,0,0,1|2,0,0]=4 1067 B15R1.1188 CCCC=Cc1ncccc1OC(=O)C 271570a_100016258520_200009815371 [0,0,1,0,0,1|2,0,0]=4 1068 B15R1.1188 CCCNCc1ccccc1CC(=O)O 269956a_100000688124_100000210207 [0,0,1,0,0,1|1,0,1]=4 1069 B15R1.1188 CCOC=Cc1ccccc1CC(=O)C 271570a_100016256518_100011350739 [0,0,1,0,0,1|2,0,0]=4 1070 B15R1.1188 CCOC=Cc1ccccc1CC(=O)N 271570a_100016256518_200009814924 [0,0,1,0,0,1|2,0,0]=4 1071 B15R1.1188 CCOC=Cc1ccccc1NC(=O)C 271570a_100016256518_100000153524 [0,0,1,0,0,1|2,0,0]=4 1072 B15R1.1188 CCOC=Cc1ccccc1NC(=O)N 271570a_100016256518_100000742221 [0,0,1,0,0,1|2,0,0]=4 1073 B15R1.1188 CCOC=Cc1ccccc1OC(=O)C 271570a_100016256518_100000051690 [0,0,1,0,0,1|2,0,0]=4 1074 B15R1.1188 COCC=Cc1ccccc1CC(=O)C 271570a_100016286323_100011350739 [0,0,1,0,0,1|2,0,0]=4 1075 B15R1.1188 COCC=Cc1ccccc1CC(=O)N 271570a_100016286323_200009814924 [0,0,1,0,0,1|2,0,0]=4 1076 B15R1.1188 COCC=Cc1ccccc1NC(=O)C 271570a_100016286323_100000153524 [0,0,1,0,0,1|2,0,0]=4 1077 B15R1.1188 COCC=Cc1ccccc1NC(=O)N 271570a_100016286323_100000742221 [0,0,1,0,0,1|2,0,0]=4 1078 B15R1.1188 COCC=Cc1ccccc1OC(=O)C 271570a_100016286323_100000051690 [0,0,1,0,0,1|2,0,0]=4 1079 B15R1.5925 CCC=CC(=O)Cc1ccccc1C=O 1458a_100000212282_200009853537 [0,0,1,0,0,1|0,0,2]=4 1080 B15R1.5925 CCCCC(=Cc1ccccc1C=O)Br 271570a_206741709834_100000211189 [0,0,1,0,0,1|1,0,1]=4 1081 B15R1.5925 CCCCC(=O)Cc1ccccc1C=O 1458a_100000210183_200009853537 [0,0,1,0,0,1|0,0,2]=4 1082 B15R2.352 CCCCc1cc2ccccc2cn1 271570a_100020621405_100000047361 [1,0,0,0,0,1|1,0,1]=4 1083 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,0,0,0,1|1,0,1]=4 1084 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [1,0,0,0,0,1|1,0,1]=4 1085 B15R2.352 CCCCc1ncc2ccccc2n1 271570a_100020621405_100000097389 [1,0,0,0,0,1|1,0,1]=4 1086 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [1,0,0,0,0,1|2,0,0]=4 1087 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [1,0,0,0,0,1|2,0,0]=4 1088 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [1,0,0,0,0,1|2,0,0]=4 1089 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [1,0,0,0,0,1|2,0,0]=4 1090 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100000210303_100000047361 [1,0,0,0,0,1|2,0,0]=4 1091 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100009816522_100000210303 [1,0,0,0,0,1|2,0,0]=4 1092 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [1,0,0,0,0,1|2,0,0]=4 1093 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100000210303_100011291633 [1,0,0,0,0,1|2,0,0]=4 1094 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100011291633_100000210303 [1,0,0,0,0,1|2,0,0]=4 1095 B15R2.352 CCCSc1ncc2ccccc2n1 62a_100000210303_100000097389 [1,0,0,0,0,1|2,0,0]=4 1096 B15R2.4392 CC=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016259895_100000075698 [1,0,0,0,0,1|1,0,1]=4 1097 B15R2.4392 CCNc1cc(=O)[nH]c2c1cccc2 27a_100015525214_100000075698 [1,0,0,0,0,1|2,0,0]=4 1098 B15R2.4392 CCSc1cc(=O)[nH]c2c1cccc2 62a_100000210202_100000075698 [1,0,0,0,0,1|2,0,0]=4