smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC000096048008 570473572 /nfs/dbraw/zinc/47/35/72/570473572.db2.gz VOCQLLFZGXDCIL-KRWDZBQOSA-N 2 1 360.523 3.905 40 0 FHABMP C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](Cc2ccccc2)CC2CC2)[C@@H]1O ZINC000585261330 570480480 /nfs/dbraw/zinc/48/04/80/570480480.db2.gz NMWOVZBGSSFYKD-WXFUMESZSA-N 2 1 364.533 3.923 40 0 FHABMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](Cc2ccccc2)CC2CC2)[C@@H]1O ZINC000585261330 570480481 /nfs/dbraw/zinc/48/04/81/570480481.db2.gz NMWOVZBGSSFYKD-WXFUMESZSA-N 2 1 364.533 3.923 40 0 FHABMP C[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)CC2CC2)[C@@H]1O ZINC000585261330 570480482 /nfs/dbraw/zinc/48/04/82/570480482.db2.gz NMWOVZBGSSFYKD-WXFUMESZSA-N 2 1 364.533 3.923 40 0 FHABMP C[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)CC2CC2)[C@@H]1O ZINC000585261330 570480483 /nfs/dbraw/zinc/48/04/83/570480483.db2.gz NMWOVZBGSSFYKD-WXFUMESZSA-N 2 1 364.533 3.923 40 0 FHABMP COc1ccc(C(C)(C)C)cc1C[NH+]1CCC(O)(Cn2cc[nH+]c2C)CC1 ZINC000019287960 570884516 /nfs/dbraw/zinc/88/45/16/570884516.db2.gz HFHZCEBTUZSJJN-UHFFFAOYSA-N 2 1 371.525 3.525 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000247828282 571125829 /nfs/dbraw/zinc/12/58/29/571125829.db2.gz GNIWCQCFRPACOW-IBGZPJMESA-N 2 1 372.484 3.779 40 0 FHABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072379202 571187756 /nfs/dbraw/zinc/18/77/56/571187756.db2.gz ZKLVOSYYNQXTBQ-LJQANCHMSA-N 2 1 362.477 3.834 40 0 FHABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000072379202 571187759 /nfs/dbraw/zinc/18/77/59/571187759.db2.gz ZKLVOSYYNQXTBQ-LJQANCHMSA-N 2 1 362.477 3.834 40 0 FHABMP C[C@H](C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000247720445 571290796 /nfs/dbraw/zinc/29/07/96/571290796.db2.gz AAHATHJUMQGFQP-UTKZUKDTSA-N 2 1 350.510 3.795 40 0 FHABMP C[C@H](C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000247720445 571290797 /nfs/dbraw/zinc/29/07/97/571290797.db2.gz AAHATHJUMQGFQP-UTKZUKDTSA-N 2 1 350.510 3.795 40 0 FHABMP C[C@H](C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000247720445 571290798 /nfs/dbraw/zinc/29/07/98/571290798.db2.gz AAHATHJUMQGFQP-UTKZUKDTSA-N 2 1 350.510 3.795 40 0 FHABMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC000096048013 570473734 /nfs/dbraw/zinc/47/37/34/570473734.db2.gz ITSNMXNCBYMEGF-IBGZPJMESA-N 2 1 370.493 3.544 40 0 FHABMP COCC[NH+]1CCC2(C[C@@H]([NH2+]Cc3csc(C)n3)c3ccccc32)CC1 ZINC000096078999 570475116 /nfs/dbraw/zinc/47/51/16/570475116.db2.gz POSNRBHBWGCZAU-HXUWFJFHSA-N 2 1 371.550 3.666 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+]([C@@H]2CCOC2)Cc2ccccc23)o1 ZINC000096242599 570480008 /nfs/dbraw/zinc/48/00/08/570480008.db2.gz AGGAOMOCLIKJET-HXUWFJFHSA-N 2 1 366.505 3.726 40 0 FHABMP CC1CC[NH+](CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000020453115 570916611 /nfs/dbraw/zinc/91/66/11/570916611.db2.gz NLXBETFWECSZLA-FQEVSTJZSA-N 2 1 371.569 3.770 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000247828283 571125821 /nfs/dbraw/zinc/12/58/21/571125821.db2.gz GNIWCQCFRPACOW-LJQANCHMSA-N 2 1 372.484 3.779 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccccc1F)CC2 ZINC000247841222 571125890 /nfs/dbraw/zinc/12/58/90/571125890.db2.gz LAFYASKUKSDDGU-IBGZPJMESA-N 2 1 372.484 3.779 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000585102667 571223041 /nfs/dbraw/zinc/22/30/41/571223041.db2.gz ALXOJOBEXRRIGK-QGZVFWFLSA-N 2 1 360.523 3.702 40 0 FHABMP CC(=O)N[C@H]1C[N@@H+](CCC2=C(C)CCCC2(C)C)C2(C1)CC[NH+](C)CC2 ZINC000019703850 571304552 /nfs/dbraw/zinc/30/45/52/571304552.db2.gz UEZGADKAJAWHHT-LJQANCHMSA-N 2 1 361.574 3.578 40 0 FHABMP COc1ccccc1C[N@@H+](C[C@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740485 205021337 /nfs/dbraw/zinc/02/13/37/205021337.db2.gz DWHDLFNBJMMUMB-QGZVFWFLSA-N 2 1 360.542 3.843 40 0 FHABMP CC(C)c1nc(NCC[NH+](C)C)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329035920 132372858 /nfs/dbraw/zinc/37/28/58/132372858.db2.gz RGNJINXIJSCUAK-UHFFFAOYSA-N 2 1 367.541 3.871 40 0 FHABMP COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc1OC ZINC000012252304 570731459 /nfs/dbraw/zinc/73/14/59/570731459.db2.gz ANNMBUIGIWVHSL-QIDMFYOTSA-N 2 1 358.526 3.790 40 0 FHABMP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc1OC ZINC000012252304 570731460 /nfs/dbraw/zinc/73/14/60/570731460.db2.gz ANNMBUIGIWVHSL-QIDMFYOTSA-N 2 1 358.526 3.790 40 0 FHABMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000008377004 206246329 /nfs/dbraw/zinc/24/63/29/206246329.db2.gz QNSWLZISMVQPBQ-UHFFFAOYSA-N 2 1 363.299 3.727 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)s1 ZINC000096048053 570473836 /nfs/dbraw/zinc/47/38/36/570473836.db2.gz WPXIZUQYMGVQMH-LJQANCHMSA-N 2 1 371.550 3.707 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccncc4)CO3)CC2)s1 ZINC000096048081 570473862 /nfs/dbraw/zinc/47/38/62/570473862.db2.gz JTQPDMLBILCJJO-LJQANCHMSA-N 2 1 371.550 3.707 40 0 FHABMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccncc2)CC3)c1 ZINC000096157459 570478085 /nfs/dbraw/zinc/47/80/85/570478085.db2.gz AIXCQMVDCXQQAC-UHFFFAOYSA-N 2 1 351.494 3.578 40 0 FHABMP C[NH+]1CCN(c2ccc([C@@H]3CCCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216548 570533541 /nfs/dbraw/zinc/53/35/41/570533541.db2.gz IFCDAYCFPSVIIY-NRFANRHFSA-N 2 1 350.510 3.561 40 0 FHABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cccc(C)n1)Cc1ccccc1O2 ZINC000019236342 570883609 /nfs/dbraw/zinc/88/36/09/570883609.db2.gz SKUCYIGDFQIFBV-UHFFFAOYSA-N 2 1 351.494 3.685 40 0 FHABMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048010 570473727 /nfs/dbraw/zinc/47/37/27/570473727.db2.gz GLASKMKXFKOYEI-LJQANCHMSA-N 2 1 358.457 3.674 40 0 FHABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC000096157603 570477920 /nfs/dbraw/zinc/47/79/20/570477920.db2.gz PQQPAISEXYVAPQ-UHFFFAOYSA-N 2 1 351.494 3.578 40 0 FHABMP c1ccc(C[NH2+][C@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)nc1 ZINC000096242810 570480035 /nfs/dbraw/zinc/48/00/35/570480035.db2.gz XUQHUQVLGGJXNS-NRFANRHFSA-N 2 1 363.505 3.940 40 0 FHABMP C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC000585104440 571224021 /nfs/dbraw/zinc/22/40/21/571224021.db2.gz ZZZGGABTDVOQHX-FQEVSTJZSA-N 2 1 367.537 3.738 40 0 FHABMP COc1ccccc1C1(O)CC[NH+](CC(C)(C)C[NH+]2CCC(C)CC2)CC1 ZINC000057822778 205245383 /nfs/dbraw/zinc/24/53/83/205245383.db2.gz YBYALKQTHSOEOG-UHFFFAOYSA-N 2 1 374.569 3.737 40 0 FHABMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC000096046512 570472967 /nfs/dbraw/zinc/47/29/67/570472967.db2.gz QUTOTGDYEFJATB-UHFFFAOYSA-N 2 1 351.494 3.578 40 0 FHABMP C[C@H](CC[NH+]1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1)c1ccccc1 ZINC000019455642 570889638 /nfs/dbraw/zinc/88/96/38/570889638.db2.gz FANGBTARIGBBFH-GOSISDBHSA-N 2 1 364.537 3.838 40 0 FHABMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cnc(-c3ccc(C)cc3)nc2)CC1 ZINC000019715866 570899849 /nfs/dbraw/zinc/89/98/49/570899849.db2.gz IVYOSHFWWYEAMQ-UHFFFAOYSA-N 2 1 361.493 3.869 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](CC1CCCCC1)CC2 ZINC000585103188 571223394 /nfs/dbraw/zinc/22/33/94/571223394.db2.gz MOCXANFNXDEEEE-NRFANRHFSA-N 2 1 371.569 3.822 40 0 FHABMP C[NH+](C)CCNc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C2CC2)n1 ZINC000328984136 132371980 /nfs/dbraw/zinc/37/19/80/132371980.db2.gz HLVBCRRJXQECGO-UHFFFAOYSA-N 2 1 365.525 3.625 40 0 FHABMP Cc1noc(C)c1C[NH+]1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096063021 570475024 /nfs/dbraw/zinc/47/50/24/570475024.db2.gz ZRNFEIVIWHBTDS-UHFFFAOYSA-N 2 1 354.498 3.565 40 0 FHABMP CC(C)[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](C)Cc2ccccc2)[C@H]1O ZINC000585261339 570480587 /nfs/dbraw/zinc/48/05/87/570480587.db2.gz SDFRFHHOLJJFRR-DNVJHFABSA-N 2 1 352.522 3.921 40 0 FHABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](C)Cc2ccccc2)[C@H]1O ZINC000585261339 570480589 /nfs/dbraw/zinc/48/05/89/570480589.db2.gz SDFRFHHOLJJFRR-DNVJHFABSA-N 2 1 352.522 3.921 40 0 FHABMP CC(C)[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H]1O ZINC000585261339 570480593 /nfs/dbraw/zinc/48/05/93/570480593.db2.gz SDFRFHHOLJJFRR-DNVJHFABSA-N 2 1 352.522 3.921 40 0 FHABMP CC(C)[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2)[C@H]1O ZINC000585261339 570480594 /nfs/dbraw/zinc/48/05/94/570480594.db2.gz SDFRFHHOLJJFRR-DNVJHFABSA-N 2 1 352.522 3.921 40 0 FHABMP C[NH+](C)CC1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc1O2 ZINC000012088446 570717727 /nfs/dbraw/zinc/71/77/27/570717727.db2.gz KCZZNVVJZASCKP-UHFFFAOYSA-N 2 1 365.521 3.967 40 0 FHABMP C[N@H+]1CCc2nc([C@@H]3CCCC[NH+]3CCCc3ccccc3)ncc2C1 ZINC000019590310 570895255 /nfs/dbraw/zinc/89/52/55/570895255.db2.gz HTIAXXZBEGUVBM-NRFANRHFSA-N 2 1 350.510 3.624 40 0 FHABMP C[NH+]1CCc2nc([C@@H]3CCCC[N@@H+]3CCCc3ccccc3)ncc2C1 ZINC000019590310 570895261 /nfs/dbraw/zinc/89/52/61/570895261.db2.gz HTIAXXZBEGUVBM-NRFANRHFSA-N 2 1 350.510 3.624 40 0 FHABMP C[NH+]1CCc2nc([C@@H]3CCCC[N@H+]3CCCc3ccccc3)ncc2C1 ZINC000019590310 570895265 /nfs/dbraw/zinc/89/52/65/570895265.db2.gz HTIAXXZBEGUVBM-NRFANRHFSA-N 2 1 350.510 3.624 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](CCc1ccccc1)CC2 ZINC000585102725 571223034 /nfs/dbraw/zinc/22/30/34/571223034.db2.gz BYNHLSLBQMXFRD-OAQYLSRUSA-N 2 1 368.521 3.683 40 0 FHABMP COCC[NH+]1CCC2(C[C@H]([NH2+]Cc3csc(C)n3)c3ccccc32)CC1 ZINC000096079000 209108789 /nfs/dbraw/zinc/10/87/89/209108789.db2.gz POSNRBHBWGCZAU-FQEVSTJZSA-N 2 1 371.550 3.666 40 0 FHABMP c1ccc([C@@]2([NH+]3CCOCC3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000031960028 208020716 /nfs/dbraw/zinc/02/07/16/208020716.db2.gz GACFZQUGMQKXMO-GVAUOCQISA-N 2 1 369.488 3.640 40 0 FHABMP CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044908393 208323453 /nfs/dbraw/zinc/32/34/53/208323453.db2.gz LDUZISMNLSIYOP-OAQYLSRUSA-N 2 1 368.525 3.624 40 0 FHABMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044908393 208323461 /nfs/dbraw/zinc/32/34/61/208323461.db2.gz LDUZISMNLSIYOP-OAQYLSRUSA-N 2 1 368.525 3.624 40 0 FHABMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC000096048012 209099737 /nfs/dbraw/zinc/09/97/37/209099737.db2.gz ITSNMXNCBYMEGF-LJQANCHMSA-N 2 1 370.493 3.544 40 0 FHABMP Cc1ccc[nH+]c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC000096221031 132222610 /nfs/dbraw/zinc/22/26/10/132222610.db2.gz ALJWKZORBYEDIY-FQEVSTJZSA-N 2 1 351.494 3.650 40 0 FHABMP Cc1ccc[nH+]c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC000096221031 132222611 /nfs/dbraw/zinc/22/26/11/132222611.db2.gz ALJWKZORBYEDIY-FQEVSTJZSA-N 2 1 351.494 3.650 40 0 FHABMP CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000329062401 132373085 /nfs/dbraw/zinc/37/30/85/132373085.db2.gz WXTJWIQULQRMFU-UHFFFAOYSA-N 2 1 373.932 3.790 40 0 FHABMP C[NH+](C)C1CCC2(CC1)C[N@@H+](Cc1cccnc1)Cc1ccccc1O2 ZINC000019584040 570895300 /nfs/dbraw/zinc/89/53/00/570895300.db2.gz MTHXBIZUPJLOKW-UHFFFAOYSA-N 2 1 351.494 3.719 40 0 FHABMP COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306144883 571042961 /nfs/dbraw/zinc/04/29/61/571042961.db2.gz ZRJCNLGZPILAHR-RTBURBONSA-N 2 1 374.488 3.566 40 0 FHABMP C[NH+](C)CCNc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328988367 571106285 /nfs/dbraw/zinc/10/62/85/571106285.db2.gz IGHIYNVYCJYSAZ-UHFFFAOYSA-N 2 1 371.916 3.544 40 0 FHABMP COc1cc2c(cc1OC)C[N@@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC000057523201 571122184 /nfs/dbraw/zinc/12/21/84/571122184.db2.gz BPEBDHKSWQJONU-UHFFFAOYSA-N 2 1 366.505 3.727 40 0 FHABMP COc1cc2c(cc1OC)C[N@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC000057523201 571122186 /nfs/dbraw/zinc/12/21/86/571122186.db2.gz BPEBDHKSWQJONU-UHFFFAOYSA-N 2 1 366.505 3.727 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585102924 571223273 /nfs/dbraw/zinc/22/32/73/571223273.db2.gz IPSPRAOHZPSZRP-HXUWFJFHSA-N 2 1 354.494 3.640 40 0 FHABMP c1ccc(C[NH+]2CCC3(CC2)NN=C2CC[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000091244422 571238566 /nfs/dbraw/zinc/23/85/66/571238566.db2.gz DRLOKFIDLJPWAC-JOCHJYFZSA-N 2 1 374.532 3.503 40 0 FHABMP c1ccc(C[NH2+][C@@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)nc1 ZINC000096242809 209142964 /nfs/dbraw/zinc/14/29/64/209142964.db2.gz XUQHUQVLGGJXNS-OAQYLSRUSA-N 2 1 363.505 3.940 40 0 FHABMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000030854634 208006869 /nfs/dbraw/zinc/00/68/69/208006869.db2.gz NKVHEFMQIZMOOQ-UHFFFAOYSA-N 2 1 374.488 3.707 40 0 FHABMP CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044908396 208323110 /nfs/dbraw/zinc/32/31/10/208323110.db2.gz LDUZISMNLSIYOP-NRFANRHFSA-N 2 1 368.525 3.624 40 0 FHABMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044908396 208323123 /nfs/dbraw/zinc/32/31/23/208323123.db2.gz LDUZISMNLSIYOP-NRFANRHFSA-N 2 1 368.525 3.624 40 0 FHABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccsc1)CC2 ZINC000096051789 209101654 /nfs/dbraw/zinc/10/16/54/209101654.db2.gz UGTNPFDMWGTSNB-HXUWFJFHSA-N 2 1 371.550 3.646 40 0 FHABMP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)c1ccccc1 ZINC000585274414 570487448 /nfs/dbraw/zinc/48/74/48/570487448.db2.gz WFMXKHSGWHAWSJ-HSZRJFAPSA-N 2 1 368.521 3.717 40 0 FHABMP C/C(=C\c1ccccc1)C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019014404 570879263 /nfs/dbraw/zinc/87/92/63/570879263.db2.gz XQCFENRZTPATLO-ITICKHJUSA-N 2 1 362.521 3.747 40 0 FHABMP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](C)C3)C1 ZINC000019014404 570879265 /nfs/dbraw/zinc/87/92/65/570879265.db2.gz XQCFENRZTPATLO-ITICKHJUSA-N 2 1 362.521 3.747 40 0 FHABMP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](C)C3)C1 ZINC000019014404 570879268 /nfs/dbraw/zinc/87/92/68/570879268.db2.gz XQCFENRZTPATLO-ITICKHJUSA-N 2 1 362.521 3.747 40 0 FHABMP Cc1ccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1C ZINC000019213986 570881937 /nfs/dbraw/zinc/88/19/37/570881937.db2.gz XSSUOCDDCMSFKV-NRFANRHFSA-N 2 1 350.510 3.809 40 0 FHABMP Cc1ccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1C ZINC000019213986 570881938 /nfs/dbraw/zinc/88/19/38/570881938.db2.gz XSSUOCDDCMSFKV-NRFANRHFSA-N 2 1 350.510 3.809 40 0 FHABMP Cc1ccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1C ZINC000019213986 570881940 /nfs/dbraw/zinc/88/19/40/570881940.db2.gz XSSUOCDDCMSFKV-NRFANRHFSA-N 2 1 350.510 3.809 40 0 FHABMP Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1C ZINC000019213986 570881942 /nfs/dbraw/zinc/88/19/42/570881942.db2.gz XSSUOCDDCMSFKV-NRFANRHFSA-N 2 1 350.510 3.809 40 0 FHABMP COc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-n4cc[nH+]c4C)n3)C2)cc1 ZINC000072379120 571187809 /nfs/dbraw/zinc/18/78/09/571187809.db2.gz ZQCWNXUUQIQYMY-IBGZPJMESA-N 2 1 362.477 3.964 40 0 FHABMP COc1ccc(C[N@H+]2CCC[C@H](c3cccc(-n4cc[nH+]c4C)n3)C2)cc1 ZINC000072379120 571187811 /nfs/dbraw/zinc/18/78/11/571187811.db2.gz ZQCWNXUUQIQYMY-IBGZPJMESA-N 2 1 362.477 3.964 40 0 FHABMP CC(C)(C[NH+]1CCCC1)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000072395186 571190880 /nfs/dbraw/zinc/19/08/80/571190880.db2.gz JWUSVCIEWHCTIR-VQTJNVASSA-N 2 1 352.526 3.715 40 0 FHABMP Cc1nc2c(n1C(C)C)C[N@H+](CC1CC1)CC21CC[NH+](CC(C)C)CC1 ZINC000306132533 571214141 /nfs/dbraw/zinc/21/41/41/571214141.db2.gz LLOPULPCSFDWSV-UHFFFAOYSA-N 2 1 358.574 3.988 40 0 FHABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccncc4)C3)CC2)c1 ZINC000096157604 209126506 /nfs/dbraw/zinc/12/65/06/209126506.db2.gz UGZUJSJEYMEPCX-UHFFFAOYSA-N 2 1 351.494 3.578 40 0 FHABMP CC(C)(C[NH+]1CCCC1)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012219977 207348892 /nfs/dbraw/zinc/34/88/92/207348892.db2.gz LKHAVFFYQQRAJM-VSOVRNOCSA-N 2 1 360.517 3.762 40 0 FHABMP CC(C)(C[NH+]1CCCC1)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012219977 207348895 /nfs/dbraw/zinc/34/88/95/207348895.db2.gz LKHAVFFYQQRAJM-VSOVRNOCSA-N 2 1 360.517 3.762 40 0 FHABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)C1 ZINC000038772287 208206133 /nfs/dbraw/zinc/20/61/33/208206133.db2.gz IGOHKKBDCHTTCO-FQEVSTJZSA-N 2 1 371.569 3.914 40 0 FHABMP Cc1[nH+]c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)c2ccccn12 ZINC000043568722 208307039 /nfs/dbraw/zinc/30/70/39/208307039.db2.gz PAEYFZLXFURZKC-SFTDATJTSA-N 2 1 360.505 3.534 40 0 FHABMP c1ccc(C[NH+]2CCC3(CC2)NN=C2CC[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000091244423 208971476 /nfs/dbraw/zinc/97/14/76/208971476.db2.gz DRLOKFIDLJPWAC-QFIPXVFZSA-N 2 1 374.532 3.503 40 0 FHABMP Cc1ccc[nH+]c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC000096221033 132222623 /nfs/dbraw/zinc/22/26/23/132222623.db2.gz ALJWKZORBYEDIY-HXUWFJFHSA-N 2 1 351.494 3.650 40 0 FHABMP Cc1ccc[nH+]c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC000096221033 132222624 /nfs/dbraw/zinc/22/26/24/132222624.db2.gz ALJWKZORBYEDIY-HXUWFJFHSA-N 2 1 351.494 3.650 40 0 FHABMP C[NH+]1CCN(c2ncccc2[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216609 570533572 /nfs/dbraw/zinc/53/35/72/570533572.db2.gz LNVBLEIGBNMYPA-OAQYLSRUSA-N 2 1 350.510 3.561 40 0 FHABMP C[C@@H](C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000247720449 571290786 /nfs/dbraw/zinc/29/07/86/571290786.db2.gz AAHATHJUMQGFQP-UWJYYQICSA-N 2 1 350.510 3.795 40 0 FHABMP C[C@@H](C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000247720449 571290787 /nfs/dbraw/zinc/29/07/87/571290787.db2.gz AAHATHJUMQGFQP-UWJYYQICSA-N 2 1 350.510 3.795 40 0 FHABMP C[C@@H](C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000247720449 571290788 /nfs/dbraw/zinc/29/07/88/571290788.db2.gz AAHATHJUMQGFQP-UWJYYQICSA-N 2 1 350.510 3.795 40 0 FHABMP Fc1cccc(C[N@H+]2CCC[C@@]3(C[C@@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000107790837 209280596 /nfs/dbraw/zinc/28/05/96/209280596.db2.gz JDTZOSNZFMVBSC-GHTZIAJQSA-N 2 1 355.457 3.704 40 0 FHABMP C/C(=C\c1ccccc1)C[NH+]1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019014366 570879399 /nfs/dbraw/zinc/87/93/99/570879399.db2.gz DIKBXESCLAUHJG-NBVRZTHBSA-N 2 1 362.521 3.747 40 0 FHABMP CC(C)C[N@H+]1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019447216 570889288 /nfs/dbraw/zinc/88/92/88/570889288.db2.gz XXJDQGOJWDLTHW-UHFFFAOYSA-N 2 1 358.526 3.551 40 0 FHABMP COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306144881 571043053 /nfs/dbraw/zinc/04/30/53/571043053.db2.gz ZRJCNLGZPILAHR-OALUTQOASA-N 2 1 374.488 3.566 40 0 FHABMP COCCn1ccnc1[C@@H]1C[N@@H+](Cc2ccccc2F)Cc2ccccc21 ZINC000306131811 571213927 /nfs/dbraw/zinc/21/39/27/571213927.db2.gz KQCPPJIOQOUHKE-HXUWFJFHSA-N 2 1 365.452 3.816 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102995 571223153 /nfs/dbraw/zinc/22/31/53/571223153.db2.gz KLRNCZOBTRMAMW-KRWDZBQOSA-N 2 1 360.523 3.702 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](CC1CCCCC1)CC2 ZINC000585103189 571223501 /nfs/dbraw/zinc/22/35/01/571223501.db2.gz MOCXANFNXDEEEE-OAQYLSRUSA-N 2 1 371.569 3.822 40 0 FHABMP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cs1 ZINC000096220979 209137725 /nfs/dbraw/zinc/13/77/25/209137725.db2.gz RVBKKEJLMGBPLE-HXUWFJFHSA-N 2 1 371.550 3.707 40 0 FHABMP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cs1 ZINC000096220979 209137728 /nfs/dbraw/zinc/13/77/28/209137728.db2.gz RVBKKEJLMGBPLE-HXUWFJFHSA-N 2 1 371.550 3.707 40 0 FHABMP Cc1nc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)cs1 ZINC000096047201 209099357 /nfs/dbraw/zinc/09/93/57/209099357.db2.gz GKYOWUJOEABFLO-UHFFFAOYSA-N 2 1 356.539 3.725 40 0 FHABMP C[NH+](C)Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 ZINC000012344907 570738610 /nfs/dbraw/zinc/73/86/10/570738610.db2.gz YFSKCODKLVXBBJ-AIZNXBIQSA-N 2 1 368.496 3.902 40 0 FHABMP Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000257292675 571159036 /nfs/dbraw/zinc/15/90/36/571159036.db2.gz QMMYZORCGRWUCT-QGZVFWFLSA-N 2 1 365.456 3.996 40 0 FHABMP Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000257292675 571159037 /nfs/dbraw/zinc/15/90/37/571159037.db2.gz QMMYZORCGRWUCT-QGZVFWFLSA-N 2 1 365.456 3.996 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585104248 571223982 /nfs/dbraw/zinc/22/39/82/571223982.db2.gz XCRYSKWSQSIYGQ-SFHVURJKSA-N 2 1 360.523 3.702 40 0 FHABMP COc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019461001 220261013 /nfs/dbraw/zinc/26/10/13/220261013.db2.gz HHNZGVTXKLEKBJ-GOSISDBHSA-N 2 1 360.542 3.843 40 0 FHABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)C1 ZINC000030755490 208004316 /nfs/dbraw/zinc/00/43/16/208004316.db2.gz BKKUIRVWSRPBLT-IBGZPJMESA-N 2 1 357.542 3.524 40 0 FHABMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4cnn(C)c4)CC3)C2)cc1 ZINC000096047375 209099487 /nfs/dbraw/zinc/09/94/87/209099487.db2.gz MMIASXJSMNJWDG-UHFFFAOYSA-N 2 1 352.526 3.607 40 0 FHABMP CC(C)c1nc(NCC[NH+](C)C)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000328996662 132372394 /nfs/dbraw/zinc/37/23/94/132372394.db2.gz JLCNDHWXRMHGGR-INIZCTEOSA-N 2 1 353.514 3.525 40 0 FHABMP C/C(=C\c1ccccc1)C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019014406 570879280 /nfs/dbraw/zinc/87/92/80/570879280.db2.gz XQCFENRZTPATLO-ZPBCLNFZSA-N 2 1 362.521 3.747 40 0 FHABMP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](C)C3)C1 ZINC000019014406 570879282 /nfs/dbraw/zinc/87/92/82/570879282.db2.gz XQCFENRZTPATLO-ZPBCLNFZSA-N 2 1 362.521 3.747 40 0 FHABMP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](C)C3)C1 ZINC000019014406 570879284 /nfs/dbraw/zinc/87/92/84/570879284.db2.gz XQCFENRZTPATLO-ZPBCLNFZSA-N 2 1 362.521 3.747 40 0 FHABMP CC1CC[NH+](CCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000020453113 570916594 /nfs/dbraw/zinc/91/65/94/570916594.db2.gz NLXBETFWECSZLA-HXUWFJFHSA-N 2 1 371.569 3.770 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+]([C@H]2CCOC2)Cc2ccccc23)o1 ZINC000096242600 209143614 /nfs/dbraw/zinc/14/36/14/209143614.db2.gz AGGAOMOCLIKJET-FQEVSTJZSA-N 2 1 366.505 3.726 40 0 FHABMP COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CC[NH+](Cc2ccccc2)CC1 ZINC000012142659 207342821 /nfs/dbraw/zinc/34/28/21/207342821.db2.gz BCUVXNBDAPTXPR-UHFFFAOYSA-N 2 1 361.489 3.814 40 0 FHABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)C1 ZINC000030755487 208003817 /nfs/dbraw/zinc/00/38/17/208003817.db2.gz BKKUIRVWSRPBLT-LJQANCHMSA-N 2 1 357.542 3.524 40 0 FHABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccs1)CC2 ZINC000096051787 209103198 /nfs/dbraw/zinc/10/31/98/209103198.db2.gz NRJXUCWHZFBPLU-LJQANCHMSA-N 2 1 371.550 3.646 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccncc4)CO3)CC2)s1 ZINC000096048080 209100003 /nfs/dbraw/zinc/10/00/03/209100003.db2.gz JTQPDMLBILCJJO-IBGZPJMESA-N 2 1 371.550 3.707 40 0 FHABMP C[NH+]1CCN(c2ncccc2[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216608 570533604 /nfs/dbraw/zinc/53/36/04/570533604.db2.gz LNVBLEIGBNMYPA-NRFANRHFSA-N 2 1 350.510 3.561 40 0 FHABMP COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000019084901 570880453 /nfs/dbraw/zinc/88/04/53/570880453.db2.gz DJTYLKLGKCPIDX-DETIRCLXSA-N 2 1 372.553 3.632 40 0 FHABMP CC(C)c1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019453294 570889232 /nfs/dbraw/zinc/88/92/32/570889232.db2.gz KKKWXRLONGCNRA-LJQANCHMSA-N 2 1 350.510 3.625 40 0 FHABMP CC(C)c1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019453294 570889233 /nfs/dbraw/zinc/88/92/33/570889233.db2.gz KKKWXRLONGCNRA-LJQANCHMSA-N 2 1 350.510 3.625 40 0 FHABMP C[C@@H](C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000019456143 570889668 /nfs/dbraw/zinc/88/96/68/570889668.db2.gz AAHATHJUMQGFQP-LAUBAEHRSA-N 2 1 350.510 3.795 40 0 FHABMP C[C@@H](C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000019456143 570889670 /nfs/dbraw/zinc/88/96/70/570889670.db2.gz AAHATHJUMQGFQP-LAUBAEHRSA-N 2 1 350.510 3.795 40 0 FHABMP C[C@@H](C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000019456143 570889672 /nfs/dbraw/zinc/88/96/72/570889672.db2.gz AAHATHJUMQGFQP-LAUBAEHRSA-N 2 1 350.510 3.795 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccccc1F)CC2 ZINC000247841225 571125775 /nfs/dbraw/zinc/12/57/75/571125775.db2.gz LAFYASKUKSDDGU-LJQANCHMSA-N 2 1 372.484 3.779 40 0 FHABMP Cc1[nH+]ccn1-c1nccnc1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000072350647 571181982 /nfs/dbraw/zinc/18/19/82/571181982.db2.gz KYQFFQGLRSHIFD-UHFFFAOYSA-N 2 1 361.493 3.783 40 0 FHABMP COc1ccccc1C[N@@H+](C[C@@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740484 208172610 /nfs/dbraw/zinc/17/26/10/208172610.db2.gz DWHDLFNBJMMUMB-KRWDZBQOSA-N 2 1 360.542 3.843 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)s1 ZINC000096048052 209101195 /nfs/dbraw/zinc/10/11/95/209101195.db2.gz WPXIZUQYMGVQMH-IBGZPJMESA-N 2 1 371.550 3.707 40 0 FHABMP CC(C)c1nc(NCC[NH+](C)C)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329008081 132372257 /nfs/dbraw/zinc/37/22/57/132372257.db2.gz LOMKYQPYHFEUEL-UHFFFAOYSA-N 2 1 367.541 3.915 40 0 FHABMP COc1cccc(C[N@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)c1 ZINC000019588426 570895077 /nfs/dbraw/zinc/89/50/77/570895077.db2.gz BDJXUTULDJTASH-UHFFFAOYSA-N 2 1 352.478 3.554 40 0 FHABMP Cc1nc2c(n1C(C)C)C[N@H+](C)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306144913 571042803 /nfs/dbraw/zinc/04/28/03/571042803.db2.gz ZRZCSUHWEYRVNU-UHFFFAOYSA-N 2 1 352.526 3.752 40 0 FHABMP Cc1nc2c(n1C(C)C)C[N@@H+](C)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306144913 571042806 /nfs/dbraw/zinc/04/28/06/571042806.db2.gz ZRZCSUHWEYRVNU-UHFFFAOYSA-N 2 1 352.526 3.752 40 0 FHABMP COCCn1ccnc1[C@H]1C[N@@H+](Cc2ccccc2F)Cc2ccccc21 ZINC000306131810 571213773 /nfs/dbraw/zinc/21/37/73/571213773.db2.gz KQCPPJIOQOUHKE-FQEVSTJZSA-N 2 1 365.452 3.816 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000585103939 571222750 /nfs/dbraw/zinc/22/27/50/571222750.db2.gz UIPNZSRBUHNLMM-GOSISDBHSA-N 2 1 360.523 3.702 40 0 FHABMP COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccsc4)C[C@H]2C3)cc1 ZINC000306138485 210055471 /nfs/dbraw/zinc/05/54/71/210055471.db2.gz RYSZQEBCAVUKDB-QZTJIDSGSA-N 2 1 365.502 3.925 40 0 FHABMP C[C@@H](CC[NH+]1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1)c1ccccc1 ZINC000019455640 211224565 /nfs/dbraw/zinc/22/45/65/211224565.db2.gz FANGBTARIGBBFH-SFHVURJKSA-N 2 1 364.537 3.838 40 0 FHABMP CC(C)[NH+]1CCC2(C[C@@H](COCC3CC3)[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096219128 222083969 /nfs/dbraw/zinc/08/39/69/222083969.db2.gz DTMUPLFCPIZAFK-NRFANRHFSA-N 2 1 357.542 3.573 40 0 FHABMP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)cc1 ZINC000096046619 570473223 /nfs/dbraw/zinc/47/32/23/570473223.db2.gz KOUVLGDDWDVDAD-UHFFFAOYSA-N 2 1 357.523 3.640 40 0 FHABMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)cc1 ZINC000096046619 570473226 /nfs/dbraw/zinc/47/32/26/570473226.db2.gz KOUVLGDDWDVDAD-UHFFFAOYSA-N 2 1 357.523 3.640 40 0 FHABMP COc1ccc(C[NH+]2CCC(c3cccc(-n4cc[nH+]c4C)n3)CC2)cc1 ZINC000072379125 571187837 /nfs/dbraw/zinc/18/78/37/571187837.db2.gz GVEXNYLSSIRXTH-UHFFFAOYSA-N 2 1 362.477 3.964 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585103554 571222424 /nfs/dbraw/zinc/22/24/24/571222424.db2.gz POGLAYFSEAUHFZ-IBGZPJMESA-N 2 1 360.523 3.702 40 0 FHABMP Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccs1)CC21CC[NH+](C)CC1 ZINC000306134405 210054240 /nfs/dbraw/zinc/05/42/40/210054240.db2.gz NMGZSJSJSAQZCJ-UHFFFAOYSA-N 2 1 358.555 3.813 40 0 FHABMP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccs1)CC21CC[NH+](C)CC1 ZINC000306134405 210054244 /nfs/dbraw/zinc/05/42/44/210054244.db2.gz NMGZSJSJSAQZCJ-UHFFFAOYSA-N 2 1 358.555 3.813 40 0 FHABMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1(c2ccc(Cl)cc2Cl)CC1 ZINC000019590036 211238164 /nfs/dbraw/zinc/23/81/64/211238164.db2.gz PZRGQEKGTGWKBT-UHFFFAOYSA-N 2 1 370.368 3.594 40 0 FHABMP CCOc1ccccc1C[N@H+]1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000019520204 211225170 /nfs/dbraw/zinc/22/51/70/211225170.db2.gz XHQXUNYWSOQPRF-UHFFFAOYSA-N 2 1 366.505 3.944 40 0 FHABMP Cc1nc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cs1 ZINC000096220976 222085673 /nfs/dbraw/zinc/08/56/73/222085673.db2.gz RVBKKEJLMGBPLE-FQEVSTJZSA-N 2 1 371.550 3.707 40 0 FHABMP Cc1nc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cs1 ZINC000096220976 222085675 /nfs/dbraw/zinc/08/56/75/222085675.db2.gz RVBKKEJLMGBPLE-FQEVSTJZSA-N 2 1 371.550 3.707 40 0 FHABMP C[N@H+]1CCc2nc([C@H]3CCCC[NH+]3CCCc3ccccc3)ncc2C1 ZINC000019590311 211238816 /nfs/dbraw/zinc/23/88/16/211238816.db2.gz HTIAXXZBEGUVBM-OAQYLSRUSA-N 2 1 350.510 3.624 40 0 FHABMP C[NH+]1CCc2nc([C@H]3CCCC[N@@H+]3CCCc3ccccc3)ncc2C1 ZINC000019590311 211238820 /nfs/dbraw/zinc/23/88/20/211238820.db2.gz HTIAXXZBEGUVBM-OAQYLSRUSA-N 2 1 350.510 3.624 40 0 FHABMP C[NH+]1CCc2nc([C@H]3CCCC[N@H+]3CCCc3ccccc3)ncc2C1 ZINC000019590311 211238822 /nfs/dbraw/zinc/23/88/22/211238822.db2.gz HTIAXXZBEGUVBM-OAQYLSRUSA-N 2 1 350.510 3.624 40 0 FHABMP C[NH+](C)C1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc1O2 ZINC000019583962 211237295 /nfs/dbraw/zinc/23/72/95/211237295.db2.gz KRAUSGOATLFVSF-UHFFFAOYSA-N 2 1 351.494 3.719 40 0 FHABMP C[C@H](C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000019456145 211223528 /nfs/dbraw/zinc/22/35/28/211223528.db2.gz AAHATHJUMQGFQP-DYESRHJHSA-N 2 1 350.510 3.795 40 0 FHABMP C[C@H](C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000019456145 211223532 /nfs/dbraw/zinc/22/35/32/211223532.db2.gz AAHATHJUMQGFQP-DYESRHJHSA-N 2 1 350.510 3.795 40 0 FHABMP C[C@H](C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000019456145 211223535 /nfs/dbraw/zinc/22/35/35/211223535.db2.gz AAHATHJUMQGFQP-DYESRHJHSA-N 2 1 350.510 3.795 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000247847014 571125944 /nfs/dbraw/zinc/12/59/44/571125944.db2.gz NGVYBXXYVAWOFM-LJQANCHMSA-N 2 1 371.550 3.504 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000585102666 571222923 /nfs/dbraw/zinc/22/29/23/571222923.db2.gz ALXOJOBEXRRIGK-KRWDZBQOSA-N 2 1 360.523 3.702 40 0 FHABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1O2 ZINC000019591985 211239475 /nfs/dbraw/zinc/23/94/75/211239475.db2.gz ISEXLDZQGBHYOQ-UHFFFAOYSA-N 2 1 366.505 3.991 40 0 FHABMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](CC3CCCCC3)CC2)cs1 ZINC000225462766 560043384 /nfs/dbraw/zinc/04/33/84/560043384.db2.gz USIMZORRTOMOKI-UHFFFAOYSA-N 2 1 365.587 3.849 40 0 biogenic,in-vitro FHABMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1 ZINC000096048953 570474537 /nfs/dbraw/zinc/47/45/37/570474537.db2.gz PRUOIDDQUVORER-UHFFFAOYSA-N 2 1 366.505 3.562 40 0 FHABMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008376960 570680705 /nfs/dbraw/zinc/68/07/05/570680705.db2.gz LUVBSITYQFOSCZ-UHFFFAOYSA-N 2 1 366.864 3.766 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000247846080 571125839 /nfs/dbraw/zinc/12/58/39/571125839.db2.gz MRCNLDJJBTYBNH-GOSISDBHSA-N 2 1 371.550 3.504 40 0 FHABMP C[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC000585104444 571223890 /nfs/dbraw/zinc/22/38/90/571223890.db2.gz ZZZGGABTDVOQHX-HXUWFJFHSA-N 2 1 367.537 3.738 40 0 FHABMP CC(C)c1nc2c(s1)C[N@@H+](C)CC21CC[NH+](Cc2cccnc2)CC1 ZINC000306124003 210049438 /nfs/dbraw/zinc/04/94/38/210049438.db2.gz BCYFOMFQAGUDOM-UHFFFAOYSA-N 2 1 356.539 3.641 40 0 FHABMP Cc1nc2cc(F)ccc2n1C1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000004618642 570597608 /nfs/dbraw/zinc/59/76/08/570597608.db2.gz OHYKWCWNAGXDMJ-UHFFFAOYSA-N 2 1 366.440 3.759 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585102923 571223251 /nfs/dbraw/zinc/22/32/51/571223251.db2.gz IPSPRAOHZPSZRP-FQEVSTJZSA-N 2 1 354.494 3.640 40 0 FHABMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062531 571302386 /nfs/dbraw/zinc/30/23/86/571302386.db2.gz YSYQSXWEJBDDOP-QFIPXVFZSA-N 2 1 371.569 3.669 40 0 FHABMP Cc1cccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC000096073280 132218180 /nfs/dbraw/zinc/21/81/80/132218180.db2.gz HEQBTKKOHXGJFS-FQEVSTJZSA-N 2 1 351.494 3.650 40 0 FHABMP Cc1cccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC000096073280 132218181 /nfs/dbraw/zinc/21/81/81/132218181.db2.gz HEQBTKKOHXGJFS-FQEVSTJZSA-N 2 1 351.494 3.650 40 0 FHABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccs1)CC2 ZINC000096051786 222003755 /nfs/dbraw/zinc/00/37/55/222003755.db2.gz NRJXUCWHZFBPLU-IBGZPJMESA-N 2 1 371.550 3.646 40 0 FHABMP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2 ZINC000096055905 222006085 /nfs/dbraw/zinc/00/60/85/222006085.db2.gz SFVMHYUDOPOOII-PXNSSMCTSA-N 2 1 364.555 3.542 40 0 FHABMP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2 ZINC000096055905 222006088 /nfs/dbraw/zinc/00/60/88/222006088.db2.gz SFVMHYUDOPOOII-PXNSSMCTSA-N 2 1 364.555 3.542 40 0 FHABMP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096055905 222006091 /nfs/dbraw/zinc/00/60/91/222006091.db2.gz SFVMHYUDOPOOII-PXNSSMCTSA-N 2 1 364.555 3.542 40 0 FHABMP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096055905 222006096 /nfs/dbraw/zinc/00/60/96/222006096.db2.gz SFVMHYUDOPOOII-PXNSSMCTSA-N 2 1 364.555 3.542 40 0 FHABMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000007539994 263351903 /nfs/dbraw/zinc/35/19/03/263351903.db2.gz OZAOHRSDHGNXPZ-UHFFFAOYSA-N 2 1 354.903 3.688 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccnc4)CO3)CC2)s1 ZINC000096047984 570473816 /nfs/dbraw/zinc/47/38/16/570473816.db2.gz LXYQRERNWLVSLS-IBGZPJMESA-N 2 1 371.550 3.707 40 0 FHABMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048011 570473879 /nfs/dbraw/zinc/47/38/79/570473879.db2.gz GLASKMKXFKOYEI-IBGZPJMESA-N 2 1 358.457 3.674 40 0 FHABMP Fc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000107790842 570525498 /nfs/dbraw/zinc/52/54/98/570525498.db2.gz JDTZOSNZFMVBSC-RXVVDRJESA-N 2 1 355.457 3.704 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102711 571222871 /nfs/dbraw/zinc/22/28/71/571222871.db2.gz BHPZCSBGGMRBCQ-GOSISDBHSA-N 2 1 358.482 3.542 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000585103225 571223430 /nfs/dbraw/zinc/22/34/30/571223430.db2.gz NQDIHRQDSQUGKS-FQEVSTJZSA-N 2 1 371.550 3.504 40 0 FHABMP C[N@@H+](Cc1cc(CC2([NH2+]C3CCCCC3)COC2)no1)Cc1ccccc1 ZINC000067898107 211276742 /nfs/dbraw/zinc/27/67/42/211276742.db2.gz CAANNSXEUZCLPL-UHFFFAOYSA-N 2 1 369.509 3.540 40 0 biogenic,in-vitro FHABMP C[N@H+](Cc1cc(CC2([NH2+]C3CCCCC3)COC2)no1)Cc1ccccc1 ZINC000067898107 211276739 /nfs/dbraw/zinc/27/67/39/211276739.db2.gz CAANNSXEUZCLPL-UHFFFAOYSA-N 2 1 369.509 3.540 40 0 biogenic,in-vitro FHABMP CC(C)c1nc(NCC[NH+](C)C)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000328996665 132372241 /nfs/dbraw/zinc/37/22/41/132372241.db2.gz JLCNDHWXRMHGGR-MRXNPFEDSA-N 2 1 353.514 3.525 40 0 FHABMP C[NH+](C)CC1CCC2(CC1)C[N@@H+](Cc1ccccn1)Cc1ccccc1O2 ZINC000012088447 570717483 /nfs/dbraw/zinc/71/74/83/570717483.db2.gz SBKWOMXIYPXXPV-UHFFFAOYSA-N 2 1 365.521 3.967 40 0 FHABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072379203 571187668 /nfs/dbraw/zinc/18/76/68/571187668.db2.gz ZKLVOSYYNQXTBQ-IBGZPJMESA-N 2 1 362.477 3.834 40 0 FHABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000072379203 571187670 /nfs/dbraw/zinc/18/76/70/571187670.db2.gz ZKLVOSYYNQXTBQ-IBGZPJMESA-N 2 1 362.477 3.834 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000585103941 571222708 /nfs/dbraw/zinc/22/27/08/571222708.db2.gz UIPNZSRBUHNLMM-SFHVURJKSA-N 2 1 360.523 3.702 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102997 571223244 /nfs/dbraw/zinc/22/32/44/571223244.db2.gz KLRNCZOBTRMAMW-QGZVFWFLSA-N 2 1 360.523 3.702 40 0 FHABMP CC(C)c1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019453296 211223842 /nfs/dbraw/zinc/22/38/42/211223842.db2.gz KKKWXRLONGCNRA-IBGZPJMESA-N 2 1 350.510 3.625 40 0 FHABMP CC(C)c1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019453296 211223848 /nfs/dbraw/zinc/22/38/48/211223848.db2.gz KKKWXRLONGCNRA-IBGZPJMESA-N 2 1 350.510 3.625 40 0 FHABMP Fc1cccc(C[N@H+]2CCC[C@]3(C[C@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000096075777 222013827 /nfs/dbraw/zinc/01/38/27/222013827.db2.gz JDTZOSNZFMVBSC-NQIIRXRSSA-N 2 1 355.457 3.704 40 0 FHABMP CC(C)[NH+]1CCC2(C[C@H](COCC3CC3)[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096219127 222083659 /nfs/dbraw/zinc/08/36/59/222083659.db2.gz DTMUPLFCPIZAFK-OAQYLSRUSA-N 2 1 357.542 3.573 40 0 FHABMP COc1ccc2c(c1)c(C[N@@H+]1CCC[C@@H](Cn3cc[nH+]c3C)C1)c(C)n2C ZINC000072392147 571189976 /nfs/dbraw/zinc/18/99/76/571189976.db2.gz VMSARXXENCBJRJ-GOSISDBHSA-N 2 1 366.509 3.912 40 0 FHABMP COc1ccc2c(c1)c(C[N@H+]1CCC[C@@H](Cn3cc[nH+]c3C)C1)c(C)n2C ZINC000072392147 571189977 /nfs/dbraw/zinc/18/99/77/571189977.db2.gz VMSARXXENCBJRJ-GOSISDBHSA-N 2 1 366.509 3.912 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](CCc1ccccc1)CC2 ZINC000585102724 571222891 /nfs/dbraw/zinc/22/28/91/571222891.db2.gz BYNHLSLBQMXFRD-NRFANRHFSA-N 2 1 368.521 3.683 40 0 FHABMP Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1cccs1)CC21CC[NH+](C)CC1 ZINC000306127143 223107446 /nfs/dbraw/zinc/10/74/46/223107446.db2.gz FPJMVFRFOUCLJD-UHFFFAOYSA-N 2 1 370.566 3.642 40 0 FHABMP Cc1nc2c(n1CC1CC1)C[N@H+](Cc1cccs1)CC21CC[NH+](C)CC1 ZINC000306127143 223107450 /nfs/dbraw/zinc/10/74/50/223107450.db2.gz FPJMVFRFOUCLJD-UHFFFAOYSA-N 2 1 370.566 3.642 40 0 FHABMP C[NH+](C)CC1CCC2(CC1)C[N@@H+](Cc1cccnc1)Cc1ccccc1O2 ZINC000012088445 219951950 /nfs/dbraw/zinc/95/19/50/219951950.db2.gz VHVASDKSLCWDAW-UHFFFAOYSA-N 2 1 365.521 3.967 40 0 FHABMP CC(C)c1ccc(C[N@@H+]2CCc3nc(C4CC[NH2+]CC4)ncc3C2)cc1 ZINC000019453304 220258393 /nfs/dbraw/zinc/25/83/93/220258393.db2.gz JFCDWFMXVRWNTR-UHFFFAOYSA-N 2 1 350.510 3.625 40 0 FHABMP CC(C)c1ccc(C[N@H+]2CCc3nc(C4CC[NH2+]CC4)ncc3C2)cc1 ZINC000019453304 220258396 /nfs/dbraw/zinc/25/83/96/220258396.db2.gz JFCDWFMXVRWNTR-UHFFFAOYSA-N 2 1 350.510 3.625 40 0 FHABMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000019714483 220288886 /nfs/dbraw/zinc/28/88/86/220288886.db2.gz YFQSWPKPGACRBC-UHFFFAOYSA-N 2 1 369.900 3.943 40 0 FHABMP C[NH+]1CCN(c2ccc([C@H]3CCCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216549 570533410 /nfs/dbraw/zinc/53/34/10/570533410.db2.gz IFCDAYCFPSVIIY-OAQYLSRUSA-N 2 1 350.510 3.561 40 0 FHABMP CC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccnc1)Cc1cc(C)ccc1O2 ZINC000072394194 571190347 /nfs/dbraw/zinc/19/03/47/571190347.db2.gz NQGAPSBZUNOEGD-UHFFFAOYSA-N 2 1 351.494 3.639 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102659 571222836 /nfs/dbraw/zinc/22/28/36/571222836.db2.gz AFPONOAHLPMYTC-SFHVURJKSA-N 2 1 360.523 3.702 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102658 571222954 /nfs/dbraw/zinc/22/29/54/571222954.db2.gz AFPONOAHLPMYTC-GOSISDBHSA-N 2 1 360.523 3.702 40 0 FHABMP Fc1cccc(C[N@H+]2CCC[C@@]3(C[C@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000096075778 222014448 /nfs/dbraw/zinc/01/44/48/222014448.db2.gz JDTZOSNZFMVBSC-WIYYLYMNSA-N 2 1 355.457 3.704 40 0 FHABMP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)c1ccccc1 ZINC000585274419 570487373 /nfs/dbraw/zinc/48/73/73/570487373.db2.gz WFMXKHSGWHAWSJ-QHCPKHFHSA-N 2 1 368.521 3.717 40 0 FHABMP c1ccc([C@]2([NH+]3CCOCC3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000031960025 571056368 /nfs/dbraw/zinc/05/63/68/571056368.db2.gz GACFZQUGMQKXMO-ISJGIBHGSA-N 2 1 369.488 3.640 40 0 FHABMP COc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-n4cc[nH+]c4C)n3)C2)cc1 ZINC000072379119 571187690 /nfs/dbraw/zinc/18/76/90/571187690.db2.gz ZQCWNXUUQIQYMY-LJQANCHMSA-N 2 1 362.477 3.964 40 0 FHABMP COc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-n4cc[nH+]c4C)n3)C2)cc1 ZINC000072379119 571187691 /nfs/dbraw/zinc/18/76/91/571187691.db2.gz ZQCWNXUUQIQYMY-LJQANCHMSA-N 2 1 362.477 3.964 40 0 FHABMP COc1ccc2c(c1)c(C[N@@H+]1CCC[C@H](Cn3cc[nH+]c3C)C1)c(C)n2C ZINC000072392146 571189952 /nfs/dbraw/zinc/18/99/52/571189952.db2.gz VMSARXXENCBJRJ-SFHVURJKSA-N 2 1 366.509 3.912 40 0 FHABMP COc1ccc2c(c1)c(C[N@H+]1CCC[C@H](Cn3cc[nH+]c3C)C1)c(C)n2C ZINC000072392146 571189953 /nfs/dbraw/zinc/18/99/53/571189953.db2.gz VMSARXXENCBJRJ-SFHVURJKSA-N 2 1 366.509 3.912 40 0 FHABMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](Cc3cc(-c4ccccc4)on3)C2(C)C)CC1 ZINC000067889902 221301349 /nfs/dbraw/zinc/30/13/49/221301349.db2.gz WNKHAFPTKCSOHG-UTKZUKDTSA-N 2 1 353.510 3.983 40 0 biogenic,in-vitro FHABMP Cc1noc(C)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157583 222058182 /nfs/dbraw/zinc/05/81/82/222058182.db2.gz LXDAFSUCACWYJC-UHFFFAOYSA-N 2 1 357.473 3.919 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccnc4)CO3)CC2)s1 ZINC000096047985 570473534 /nfs/dbraw/zinc/47/35/34/570473534.db2.gz LXYQRERNWLVSLS-LJQANCHMSA-N 2 1 371.550 3.707 40 0 FHABMP CC(=O)N[C@@H]1C[N@@H+](CCC2=C(C)CCCC2(C)C)C2(C1)CC[NH+](C)CC2 ZINC000019703851 570857562 /nfs/dbraw/zinc/85/75/62/570857562.db2.gz UEZGADKAJAWHHT-IBGZPJMESA-N 2 1 361.574 3.578 40 0 FHABMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062530 571302345 /nfs/dbraw/zinc/30/23/45/571302345.db2.gz YSYQSXWEJBDDOP-JOCHJYFZSA-N 2 1 371.569 3.669 40 0 FHABMP C[N@@H+](Cc1ccccn1)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2 ZINC000019590892 220277859 /nfs/dbraw/zinc/27/78/59/220277859.db2.gz HTKJEVLCRUQWQS-UHFFFAOYSA-N 2 1 351.494 3.719 40 0 FHABMP C[NH+](Cc1ccccn1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590892 220277862 /nfs/dbraw/zinc/27/78/62/220277862.db2.gz HTKJEVLCRUQWQS-UHFFFAOYSA-N 2 1 351.494 3.719 40 0 FHABMP C[NH+](Cc1ccccn1)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019590892 220277864 /nfs/dbraw/zinc/27/78/64/220277864.db2.gz HTKJEVLCRUQWQS-UHFFFAOYSA-N 2 1 351.494 3.719 40 0 FHABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccccc1OC)Cc1ccccc1O2 ZINC000019592018 220278419 /nfs/dbraw/zinc/27/84/19/220278419.db2.gz PBWHYNPVMFCBAN-UHFFFAOYSA-N 2 1 366.505 3.991 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC000096048009 222000284 /nfs/dbraw/zinc/00/02/84/222000284.db2.gz VOCQLLFZGXDCIL-QGZVFWFLSA-N 2 1 360.523 3.905 40 0 FHABMP CC(C)[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096207054 222077006 /nfs/dbraw/zinc/07/70/06/222077006.db2.gz YIEOQHMHLDHNLR-OAQYLSRUSA-N 2 1 357.542 3.573 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220968 222085821 /nfs/dbraw/zinc/08/58/21/222085821.db2.gz VSQOOQYTVGXACY-HXUWFJFHSA-N 2 1 354.494 3.844 40 0 FHABMP C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(C[NH+]3CCCCC3)coc1=O)C2 ZINC000100797371 222253680 /nfs/dbraw/zinc/25/36/80/222253680.db2.gz BGMYQYRUPAWSIA-VGOFRKELSA-N 2 1 374.525 3.732 40 0 FHABMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000020451423 527371708 /nfs/dbraw/zinc/37/17/08/527371708.db2.gz VTZFHRJVLUGXHO-UHFFFAOYSA-N 2 1 374.488 3.707 40 0 FHABMP CC(C)(C[NH+]1CCCC1)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012219975 570728482 /nfs/dbraw/zinc/72/84/82/570728482.db2.gz PMXVSZGZRAMYHV-RLAPIPATSA-N 2 1 360.517 3.762 40 0 FHABMP C[NH+](C)Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1 ZINC000012344918 570738833 /nfs/dbraw/zinc/73/88/33/570738833.db2.gz IKWCRPMLZNRWKY-AIZNXBIQSA-N 2 1 368.496 3.902 40 0 FHABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)C1 ZINC000038772286 571086659 /nfs/dbraw/zinc/08/66/59/571086659.db2.gz IGOHKKBDCHTTCO-HXUWFJFHSA-N 2 1 371.569 3.914 40 0 FHABMP Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1)CC1(CC[NH+](C)CC1)O2 ZINC000072394182 571190378 /nfs/dbraw/zinc/19/03/78/571190378.db2.gz VGTJICRZYNZJBZ-UHFFFAOYSA-N 2 1 354.469 3.993 40 0 FHABMP Cc1ccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1C ZINC000019213988 220239044 /nfs/dbraw/zinc/23/90/44/220239044.db2.gz XSSUOCDDCMSFKV-OAQYLSRUSA-N 2 1 350.510 3.809 40 0 FHABMP Cc1ccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1C ZINC000019213988 220239048 /nfs/dbraw/zinc/23/90/48/220239048.db2.gz XSSUOCDDCMSFKV-OAQYLSRUSA-N 2 1 350.510 3.809 40 0 FHABMP Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1C ZINC000019213988 220239050 /nfs/dbraw/zinc/23/90/50/220239050.db2.gz XSSUOCDDCMSFKV-OAQYLSRUSA-N 2 1 350.510 3.809 40 0 FHABMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1C ZINC000019213988 220239054 /nfs/dbraw/zinc/23/90/54/220239054.db2.gz XSSUOCDDCMSFKV-OAQYLSRUSA-N 2 1 350.510 3.809 40 0 FHABMP Cc1cccc(C[N@H+](C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)n1 ZINC000019236100 220243163 /nfs/dbraw/zinc/24/31/63/220243163.db2.gz IOFIWTDSYMDOMK-UHFFFAOYSA-N 2 1 351.494 3.685 40 0 FHABMP COc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019460999 220261238 /nfs/dbraw/zinc/26/12/38/220261238.db2.gz HHNZGVTXKLEKBJ-SFHVURJKSA-N 2 1 360.542 3.843 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)s1 ZINC000096048952 222000183 /nfs/dbraw/zinc/00/01/83/222000183.db2.gz OJFPOTPCAVGNTJ-UHFFFAOYSA-N 2 1 356.535 3.924 40 0 FHABMP CN(C)CC[NH+]1CCC2(C[C@@H]([NH2+]Cc3cccs3)c3ccccc32)CC1 ZINC000096241441 222097342 /nfs/dbraw/zinc/09/73/42/222097342.db2.gz OKZOBKJZKFTJEG-OAQYLSRUSA-N 2 1 369.578 3.878 40 0 FHABMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220966 222085523 /nfs/dbraw/zinc/08/55/23/222085523.db2.gz VSQOOQYTVGXACY-FQEVSTJZSA-N 2 1 354.494 3.844 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000247846082 571125807 /nfs/dbraw/zinc/12/58/07/571125807.db2.gz MRCNLDJJBTYBNH-SFHVURJKSA-N 2 1 371.550 3.504 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585103556 571222507 /nfs/dbraw/zinc/22/25/07/571222507.db2.gz POGLAYFSEAUHFZ-LJQANCHMSA-N 2 1 360.523 3.702 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585104247 571223924 /nfs/dbraw/zinc/22/39/24/571223924.db2.gz XCRYSKWSQSIYGQ-GOSISDBHSA-N 2 1 360.523 3.702 40 0 FHABMP Cc1cccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC000096073281 132218151 /nfs/dbraw/zinc/21/81/51/132218151.db2.gz HEQBTKKOHXGJFS-HXUWFJFHSA-N 2 1 351.494 3.650 40 0 FHABMP Cc1cccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC000096073281 132218152 /nfs/dbraw/zinc/21/81/52/132218152.db2.gz HEQBTKKOHXGJFS-HXUWFJFHSA-N 2 1 351.494 3.650 40 0 FHABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccn4)C3)CC2)c1 ZINC000096157602 222057805 /nfs/dbraw/zinc/05/78/05/222057805.db2.gz HUMGGTDMGQBZNM-UHFFFAOYSA-N 2 1 351.494 3.578 40 0 FHABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccsc1)CC2 ZINC000096051788 222003664 /nfs/dbraw/zinc/00/36/64/222003664.db2.gz UGTNPFDMWGTSNB-FQEVSTJZSA-N 2 1 371.550 3.646 40 0 FHABMP Cc1ccc(C[NH+]2CC[C@H]3CO[C@H](C[N@H+](C)Cc4ccco4)[C@H]3C2)s1 ZINC000096056297 222005473 /nfs/dbraw/zinc/00/54/73/222005473.db2.gz VJQCGGUAPPSNMQ-FFZOFVMBSA-N 2 1 360.523 3.618 40 0 FHABMP Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+](C)Cc4ccco4)[C@H]3C2)s1 ZINC000096056297 222005476 /nfs/dbraw/zinc/00/54/76/222005476.db2.gz VJQCGGUAPPSNMQ-FFZOFVMBSA-N 2 1 360.523 3.618 40 0 FHABMP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+](C)Cc4ccco4)[C@H]3C2)s1 ZINC000096056297 222005479 /nfs/dbraw/zinc/00/54/79/222005479.db2.gz VJQCGGUAPPSNMQ-FFZOFVMBSA-N 2 1 360.523 3.618 40 0 FHABMP CN(C)CC[NH+]1CCC2(C[C@H]([NH2+]Cc3cccs3)c3ccccc32)CC1 ZINC000096241440 222097057 /nfs/dbraw/zinc/09/70/57/222097057.db2.gz OKZOBKJZKFTJEG-NRFANRHFSA-N 2 1 369.578 3.878 40 0 FHABMP CC(C)[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096207055 222076996 /nfs/dbraw/zinc/07/69/96/222076996.db2.gz YIEOQHMHLDHNLR-NRFANRHFSA-N 2 1 357.542 3.573 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000247847010 571125847 /nfs/dbraw/zinc/12/58/47/571125847.db2.gz NGVYBXXYVAWOFM-IBGZPJMESA-N 2 1 371.550 3.504 40 0 FHABMP COc1ccccc1C[N@H+]1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000072394168 571190247 /nfs/dbraw/zinc/19/02/47/571190247.db2.gz VDFHJOFDWXKHLZ-UHFFFAOYSA-N 2 1 352.478 3.554 40 0 FHABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102712 571222899 /nfs/dbraw/zinc/22/28/99/571222899.db2.gz BHPZCSBGGMRBCQ-SFHVURJKSA-N 2 1 358.482 3.542 40 0 FHABMP Cc1cc(Nc2cccc(F)c2)cc([C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000257292674 223053590 /nfs/dbraw/zinc/05/35/90/223053590.db2.gz QMMYZORCGRWUCT-KRWDZBQOSA-N 2 1 365.456 3.996 40 0 FHABMP Cc1cc(Nc2cccc(F)c2)cc([C@H]2CC[N@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000257292674 223053593 /nfs/dbraw/zinc/05/35/93/223053593.db2.gz QMMYZORCGRWUCT-KRWDZBQOSA-N 2 1 365.456 3.996 40 0 FHABMP COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4ccsc4)C[C@H]2C3)cc1 ZINC000306138484 223111065 /nfs/dbraw/zinc/11/10/65/223111065.db2.gz RYSZQEBCAVUKDB-MSOLQXFVSA-N 2 1 365.502 3.925 40 0 FHABMP C[NH+](C)CCNc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C2CC2)n1 ZINC000329036425 132372922 /nfs/dbraw/zinc/37/29/22/132372922.db2.gz RIRQGPCRHPRIIJ-UHFFFAOYSA-N 2 1 365.525 3.669 40 0 FHABMP COc1ncccc1C[N@@H+]1Cc2ccccc2C2(CC[NH+](C(C)C)CC2)C1 ZINC000096242407 222097673 /nfs/dbraw/zinc/09/76/73/222097673.db2.gz NGMAMYFXZNPXCC-UHFFFAOYSA-N 2 1 365.521 3.848 40 0 FHABMP COc1ncccc1C[N@H+]1Cc2ccccc2C2(CC[NH+](C(C)C)CC2)C1 ZINC000096242407 222097677 /nfs/dbraw/zinc/09/76/77/222097677.db2.gz NGMAMYFXZNPXCC-UHFFFAOYSA-N 2 1 365.521 3.848 40 0 FHABMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000096157556 222058207 /nfs/dbraw/zinc/05/82/07/222058207.db2.gz BBJUMDSGTBAROT-UHFFFAOYSA-N 2 1 351.494 3.578 40 0 FHABMP CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1cc(C)ccc1O2 ZINC000072394195 571190229 /nfs/dbraw/zinc/19/02/29/571190229.db2.gz XDODAEYODIRDJI-UHFFFAOYSA-N 2 1 351.494 3.639 40 0 FHABMP COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000585103239 571223384 /nfs/dbraw/zinc/22/33/84/571223384.db2.gz NQDIHRQDSQUGKS-HXUWFJFHSA-N 2 1 371.550 3.504 40 0 FHABMP