0 B14R1.156 C=CCNC(=O)NCC1COCCO1 CSC061556879 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.156 C=CCOC(=O)CCC1CCCCC1 CSC000006458 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.156 NCCNC(=O)CCC1CCCCO1 CSC011956695 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.156 NCCNC(=O)CCC1CCOCC1 CSC057458825 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.42 CCNC(=O)NCC1CCCCC1 CSC000163495 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.42 CCOC(=O)CCC1CCCCC1 CSC000170578 [1,0,0,0,0,0|0,0,1]=2 6 B13R1.42 CCOC(=O)CCN1CCNCC1 CSC011218831 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.42 CCOC(=O)CCN1CCOCC1 CSC000177610 [1,0,0,0,0,0|2,0,1]=4 8 B15R1.78 C=CCCCC(=O)NCC1CCCNC1 CSC057116417 [0,1,0,0,0,0|3,0,0]=4 9 B15R1.78 C=CCOCC(=O)NCC1CCCNC1 CSC056779233 [0,1,0,0,0,0|2,0,0]=3 10 B15R1.78 CCCCNC(=O)CCC1CCCCC1 CSC036981243 [0,1,0,0,0,0|1,0,2]=4 11 B15R1.78 CNCCNC(=O)CCC1CCCCC1 CSC011722971 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.78 OCCCNC(=O)CCC1CCCCC1 CSC000191989 [0,1,0,0,0,0|1,0,2]=4 13 B15R1.115 CC(CC(=O)NCC#N)C1CCCCC1 CSC034677900 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.115 CC(CC(=O)NCC=C)C1CCCNC1 CSC012852224 [0,1,0,0,0,0|2,0,0]=3 15 B15R1.115 CC(CC(=O)NCC=C)C1CCNCC1 CSC057736623 [0,1,0,0,0,0|2,0,0]=3 16 B15R1.115 CC(CC(=O)NCCN)C1CCCCC1 CSC057524152 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.115 CC(NC(=O)CCC=C)C1CCCNC1 CSC011727437 [0,1,0,0,0,0|3,0,0]=4 18 B15R1.115 CC(NC(=O)NCC=C)C1CCOCC1 CSC060902980 [0,1,0,0,0,0|3,0,0]=4 19 B15R1.115 CN(CC(=O)NCC=C)C1CCNCC1 CSC011323922 [0,1,0,0,0,0|3,0,0]=4 20 B15R1.127 CC1CC(CCO1)CNC(=O)NCC=C CSC061754950 [0,1,0,0,0,0|3,0,0]=4 21 B15R1.551 CC(CC1CCCCC1)C(=O)NCC#N CSC039614462 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.551 CC(CC1CCCCC1)C(=O)NCCN CSC057050385 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.551 CCCNC(=O)C(N)CC1CCCCC1 CSC014616900 [0,1,0,0,0,0|1,0,2]=4 24 B15R1.551 NC(CC1CCCCC1)C(=O)NCC=C CSC014616967 [0,1,0,0,0,0|1,0,0]=2 25 B15R1.551 NCCNC(=O)C(N)CC1CCCCC1 CSC014617465 [0,1,0,0,0,0|2,0,1]=4 26 B15R1.741 CC(NC(=O)CCC1CCCCC1)C#N CSC011415024 [0,1,0,0,0,0|2,0,1]=4 27 B15R1.741 CC(NC(=O)NCC1CCOCC1)C=C CSC061743811 [0,1,0,0,0,0|3,0,0]=4 28 B15R1.741 C[C@H](CN)NC(=O)CCC1CCCCC1 CSC013523566 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.826 CN(CC=C)C(=O)CCC1CCNCC1 CSC013051043 [0,1,0,0,0,0|2,0,0]=3 30 B15R1.826 CN(CCN)C(=O)CCC1CCCCC1 CSC011454802 [0,1,0,0,0,0|2,0,1]=4 31 B15R1.5919 CC(=C)CNC(=O)NCC1CCCOC1 CSC060735406 [0,1,0,0,0,0|3,0,0]=4 32 B15R1.5919 CC(=C)CNC(=O)NCC1CCOCC1 CSC061568440 [0,1,0,0,0,0|3,0,0]=4 33 B15R1.5919 CC(C)CNC(=O)CCC1CCCCC1 CSC000160833 [0,1,0,0,0,0|1,0,2]=4 34 B15R1.5919 NC(=O)CNC(=O)CCC1CCCCC1 CSC000207024 [0,1,0,0,0,0|2,0,0]=3 35 B15R1.5919 NC(=O)CNC(=O)CCC1CCCCO1 CSC011951775 [0,1,0,0,0,0|3,0,0]=4 36 B15R1.5919 OC(=O)CNC(=O)CCC1CCCCO1 CSC011956699 [0,1,0,0,0,0|3,0,0]=4 37 B15R1.5919 OC(=O)CNC(=O)CCC1CCOCC1 CSC012904749 [0,1,0,0,0,0|3,0,0]=4 38 B15R1.45389 CC1(CCCNC1)CNC(=O)CCC=C CSC013328368 [0,1,0,0,0,0|3,0,0]=4 39 B15R1.45389 CC1(CCNCC1)CNC(=O)CCC=C CSC013328394 [0,1,0,0,0,0|3,0,0]=4 40 B15R1.45389 NC1(CCCCC1)CNC(=O)CCC=C CSC012926689 [0,1,0,0,0,0|2,0,0]=3 41 B15R1.45389 OC1(CCOCC1)CNC(=O)CCC=C CSC012491647 [0,1,0,0,0,0|3,0,0]=4 42 B15R2.355 O=C1CCC(=O)N1CC2CCCCC2 CSC000018360 [0,0,0,1,0,0|3,0,0]=4 43 B13R1.44 C=CCNC(=O)CC1CCCCC1 CSC000160386 [0,0,0,0,1,0|1,0,0]=2 44 B13R1.44 C=CCNC(=O)CC1CSCCN1 CSC012481291 [0,0,0,0,1,0|3,0,0]=4 45 B13R1.44 C=CCNC(=O)NC1CCCCC1 CSC000178627 [0,0,0,0,1,0|2,0,0]=3 46 B13R1.44 CCCOC(=O)NC1CCCCC1 CSC000178457 [0,0,0,0,1,0|1,0,2]=4 47 B15R1.157 C=CCCC(=O)NCCC1CCCNC1 CSC011888939 [0,0,0,0,0,1|2,0,0]=3 48 B15R1.157 C=CCCC(=O)NCCN1CCNCC1 CSC011727402 [0,0,0,0,0,1|3,0,0]=4 49 B15R1.157 CCCNC(=O)CNCC1CCCCC1 CSC000202852 [0,0,0,0,0,1|1,0,2]=4 50 B15R1.157 CNCCC(=O)NCCC1CCCCC1 CSC011534944 [0,0,0,0,0,1|2,0,1]=4 51 B15R1.157 NCCCC(=O)NCCC1CCCCC1 CSC011373136 [0,0,0,0,0,1|2,0,1]=4 52 B15R1.157 NCCNC(=O)CCCC1CCCCC1 CSC018582412 [0,0,0,0,0,1|2,0,1]=4 53 B15R1.157 O=C(CCCC1CCCCC1)NCC#N CSC024071852 [0,0,0,0,0,1|2,0,1]=4 54 B15R1.157 O=C(CSCC1CCCCC1)NCC#N CSC060939552 [0,0,0,0,0,1|2,0,1]=4 55 B12R0.1 CCCCCCCCC(=O)OCC CSC011218606 [1,0,1,0,0,0|0,0,1]=3 56 B12R1.27 CNC(=O)CCC1CCCNC1 CSC011533958 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.27 COC(=O)CCN1CCOCC1 CSC000177612 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.27 COC(=O)CSC1CCCCC1 CSC000173156 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.27 NNC(=O)CCC1CCCCC1 CSC000186192 [2,0,0,0,0,0|2,0,0]=4 60 B14R1.32 CCOC(=O)CCN1CCCC(C1)N CSC011473523 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.502 CCOC(=O)CCN1CCC(CC1)C CSC000178058 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.33 CN1CCC(CC1)CC(=O)NCC=C CSC046490293 [0,1,0,0,1,0|2,0,0]=4 63 B14R1.2492 OC1(CCCC1)CNC(=O)CCC=C CSC012022455 [0,1,0,0,1,0|2,0,0]=4 64 B16R1.700 CC(NCC(=O)NCC=C)C1CCOCC1 CSC006535362 [0,1,0,0,0,1|2,0,0]=4 65 B16R1.700 OC(CNC(=O)CCC=C)C1CCOCC1 CSC061226617 [0,1,0,0,0,1|2,0,0]=4 66 B16R1.700 OC(CNC(=O)NCC=C)C1CCOCC1 CSC061500154 [0,1,0,0,0,1|2,0,0]=4 67 B16R1.849 CC(NC(=O)NCCC1CCCCO1)C=C CSC061293488 [0,1,0,0,0,1|2,0,0]=4 68 B16R1.1694 C=CCCCC(=O)NCCC1CCCNC1 CSC057755839 [0,1,0,0,0,1|2,0,0]=4 69 B16R1.18213 CC(=C)CNC(=O)NCCC1CCCCO1 CSC061944036 [0,1,0,0,0,1|2,0,0]=4 70 B16R1.18213 NC(=O)CNC(=O)CCCC1CCCCC1 CSC000271373 [0,1,0,0,0,1|2,0,0]=4 71 B16R1.18213 OC(=O)CCC(=O)NCCC1CCCCC1 CSC011373036 [0,1,0,0,0,1|2,0,0]=4 72 B16R1.18213 OC(=O)CNC(=O)CCCC1CCCCC1 CSC000205579 [0,1,0,0,0,1|2,0,0]=4 73 B16R1.38209 CN(CC(=O)NCC=C)C1CCCNCC1 CSC006863598 [0,1,0,0,0,1|2,0,0]=4 74 B16R1.608 NC(=O)CCNC(=O)CCC1CCCCC1 CSC061042775 [0,2,0,0,0,0|1,0,1]=4 75 B16R1.608 OC(=O)CCNC(=O)CCC1CCCCC1 CSC000205650 [0,2,0,0,0,0|1,0,1]=4 76 B16R1.1343 COC(=O)CNC(=O)CCC1CCCCC1 CSC000161501 [0,2,0,0,0,0|1,0,1]=4 77 B16R1.1343 COC(=O)CNC(=O)CCC1CCCCC1 CSC000161501 [0,2,0,0,0,0|1,0,1]=4 78 B16R1.1570 CC(CC=C)NC(=O)CCC1CCNCC1 CSC006487340 [0,2,0,0,0,0|2,0,0]=4 79 B16R1.912 CC(CC(=O)N(C)CC=C)C1CCCNC1 CSC006440810 [0,2,0,0,0,0|2,0,0]=4 80 B16R1.912 CC(CC(=O)N(C)CC=C)C1CCNCC1 CSC056736922 [0,2,0,0,0,0|2,0,0]=4 81 B16R1.4478 C=CCCC(=O)NC(C#N)C1CCCCC1 CSC022766601 [0,2,0,0,0,0|2,0,0]=4 82 B16R1.4478 C=CCCC(=O)NC(C#N)C1CCCCC1 CSC022766601 [0,2,0,0,0,0|2,0,0]=4 83 B16R1.4478 NCC(NC(=O)CCC=C)C1CCCCC1 CSC006359133 [0,2,0,0,0,0|2,0,0]=4 84 B16R1.7611 CC(CC(=O)NCC(=O)N)C1CCCCC1 CSC061626666 [0,2,0,0,0,0|2,0,0]=4 85 B16R1.7611 CC(CC(=O)NCC(=O)O)C1CCCCC1 CSC006342004 [0,2,0,0,0,0|2,0,0]=4 86 B16R1.945 CN(CC=C)C(=O)C(N)CC1CCCCC1 CSC007439623 [0,2,0,0,0,0|1,0,0]=3 87 B16R1.1284 CC(CC1CCCCC1)C(=O)NCC(=O)O CSC006342081 [0,2,0,0,0,0|2,0,0]=4 88 B16R1.1284 NC(CC1CCCCC1)C(=O)NCC(=O)N CSC007439185 [0,2,0,0,0,0|2,0,0]=4 89 B16R1.4122 C[C@@H](NC(=O)CCC1CCCCC1)C(=O)O CSC011504631 [0,2,0,0,0,0|2,0,0]=4 90 B16R1.4122 C[C@H](NC(=O)CCC1CCCCC1)C(=O)O CSC011416881 [0,2,0,0,0,0|2,0,0]=4 91 B16R1.6944 CN(CC(=O)O)C(=O)CCC1CCCCC1 CSC000244104 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.177 C=CCNC(=O)CSCC1CCCC1 CSC027564155 [0,0,1,1,0,0|2,0,0]=4 93 B14R2.101 C(NC1CCCCC1)c2ccco2 CSC000200079 [1,0,0,1,0,0|1,0,1]=4 94 B14R2.9964 CCNC(=O)C1CC2CCC1CC2 CSC015215590 [1,0,0,1,0,0|1,0,1]=4 95 B16R2.2114 C=CCNC(=O)[C@@H]1C[C@H]1C2CCNCC2 CSC057704413 [0,0,0,1,0,1|2,0,0]=4 96 B16R2.2238 O=C(NCC1CCCCC1)c2ccco2 CSC000159422 [0,1,0,1,0,0|1,0,1]=4 97 B16R2.2125 C=CCNC(=O)N1CC2CCCC(C2)C1 CSC046580791 [0,1,0,1,0,0|2,0,0]=4 98 B16R2.2128 C=CCNC(=O)N1CC2CCCCC2C1 CSC047308536 [0,1,0,1,0,0|2,0,0]=4 99 B16R2.2128 C=CCNC(=O)N1C[C@H]2CCCC[C@H]2C1 [0,1,0,1,0,0|2,0,0]=4 100 B16R2.6741 CN(CC=C)C(=O)C1CC12CCNCC2 CSC013051017 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.32 CCOC(=O)CC1CCCCC1 CSC000171474 [1,0,0,0,1,0|0,0,1]=3 102 B12R1.32 CCOC(=O)CC1CCOCC1 CSC011218914 [1,0,0,0,1,0|1,0,1]=4 103 B12R1.51 CCNC(=O)CCC1CCCC1 CSC000160163 [1,0,0,0,1,0|1,0,1]=4 104 B12R1.51 CCOC(=O)CCC1CCCC1 CSC000170312 [1,0,0,0,1,0|0,0,1]=3 105 B12R1.30 C=CCNC(=O)C1CCCCC1 CSC000160308 [0,0,0,0,2,0|1,0,0]=3 106 B14R1.7146 CCOC(=O)CCN1CCCNCC1 CSC011472474 [1,0,0,0,0,1|1,0,1]=4 107 B16R1.1465 C=CCNC(=O)NCCCC1CCCCO1 CSC061486956 [0,0,0,0,0,2|2,0,0]=4 108 B16R1.1465 C=CCNC(=O)NCCOC1CCCCC1 CSC061866643 [0,0,0,0,0,2|1,0,0]=3