smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@H](C)[NH2+]C/C=C\C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000005181042 204196207 /nfs/dbraw/zinc/19/62/07/204196207.db2.gz SKSMATDELKNRQJ-POJYLLKHSA-N 4 0 368.654 3.743 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC000096048008 570473569 /nfs/dbraw/zinc/47/35/69/570473569.db2.gz VOCQLLFZGXDCIL-KRWDZBQOSA-N 2 0 360.523 3.905 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000247828282 571125828 /nfs/dbraw/zinc/12/58/28/571125828.db2.gz GNIWCQCFRPACOW-IBGZPJMESA-N 2 0 372.484 3.779 40 0 FHABRP C[C@H](C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000247720445 571290795 /nfs/dbraw/zinc/29/07/95/571290795.db2.gz AAHATHJUMQGFQP-UTKZUKDTSA-N 2 0 350.510 3.795 40 0 FHABRP O[C@H](CCCCCCCC[C@@H](O)C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000005566879 204216144 /nfs/dbraw/zinc/21/61/44/204216144.db2.gz KSBMOZRBGBWYTL-FGZHOGPDSA-N 2 0 368.606 3.801 40 0 FHABRP COc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC000096048013 570473732 /nfs/dbraw/zinc/47/37/32/570473732.db2.gz ITSNMXNCBYMEGF-IBGZPJMESA-N 2 0 370.493 3.544 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+]([C@@H]2CCOC2)Cc2ccccc23)o1 ZINC000096242599 570480007 /nfs/dbraw/zinc/48/00/07/570480007.db2.gz AGGAOMOCLIKJET-HXUWFJFHSA-N 2 0 366.505 3.726 40 0 FHABRP CC1CC[NH+](CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000020453115 570916609 /nfs/dbraw/zinc/91/66/09/570916609.db2.gz NLXBETFWECSZLA-FQEVSTJZSA-N 2 0 371.569 3.770 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000247828283 571125818 /nfs/dbraw/zinc/12/58/18/571125818.db2.gz GNIWCQCFRPACOW-LJQANCHMSA-N 2 0 372.484 3.779 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccccc1F)CC2 ZINC000247841222 571125888 /nfs/dbraw/zinc/12/58/88/571125888.db2.gz LAFYASKUKSDDGU-IBGZPJMESA-N 2 0 372.484 3.779 40 0 FHABRP Cc1cc(Nc2ccccn2)cc(C2CC[NH+](Cc3ccnn3C)CC2)[nH+]1 ZINC000257324758 571162198 /nfs/dbraw/zinc/16/21/98/571162198.db2.gz WQAOZUUZRUXCOC-UHFFFAOYSA-N 2 0 362.481 3.642 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000585102667 571223040 /nfs/dbraw/zinc/22/30/40/571223040.db2.gz ALXOJOBEXRRIGK-QGZVFWFLSA-N 2 0 360.523 3.702 40 0 FHABRP CC(=O)N[C@H]1C[N@H+](CCC2=C(C)CCCC2(C)C)C2(C1)CC[NH+](C)CC2 ZINC000019703850 571304551 /nfs/dbraw/zinc/30/45/51/571304551.db2.gz UEZGADKAJAWHHT-LJQANCHMSA-N 2 0 361.574 3.578 40 0 FHABRP CC[NH+](CC)CCC(CC[NH+](CC)CC)(CNC(C)=O)c1ccccc1 ZINC000005698973 204222049 /nfs/dbraw/zinc/22/20/49/204222049.db2.gz XQRQKTRXUFMCKE-UHFFFAOYSA-N 2 0 361.574 3.524 40 0 FHABRP COc1ccccc1C[N@H+](C[C@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740485 205021336 /nfs/dbraw/zinc/02/13/36/205021336.db2.gz DWHDLFNBJMMUMB-QGZVFWFLSA-N 2 0 360.542 3.843 40 0 FHABRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)c1 ZINC000096071758 570475043 /nfs/dbraw/zinc/47/50/43/570475043.db2.gz QOZFJCIMCKFHQU-UHFFFAOYSA-N 2 0 365.521 3.968 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000247891262 571126120 /nfs/dbraw/zinc/12/61/20/571126120.db2.gz TUIRYEXYLFVJOK-FQEVSTJZSA-N 2 0 371.550 3.504 40 0 FHABRP CC1(C)[C@H](Cc2cc(C[NH+]3CCCCC3)on2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000067890119 204315089 /nfs/dbraw/zinc/31/50/89/204315089.db2.gz SYJWPAQOEJEPJR-UTKZUKDTSA-N 2 0 368.525 3.803 40 0 biogenic,in-vitro FHABRP Cc1ccc(C[NH+]2CCC3(CC[NH+](Cc4cnn(C)c4)CC3)CC2)cc1 ZINC000096047257 570473779 /nfs/dbraw/zinc/47/37/79/570473779.db2.gz XQBAJYRDWKRFDA-UHFFFAOYSA-N 2 0 352.526 3.607 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)s1 ZINC000096048053 570473832 /nfs/dbraw/zinc/47/38/32/570473832.db2.gz WPXIZUQYMGVQMH-LJQANCHMSA-N 2 0 371.550 3.707 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccncc4)CO3)CC2)s1 ZINC000096048081 570473859 /nfs/dbraw/zinc/47/38/59/570473859.db2.gz JTQPDMLBILCJJO-LJQANCHMSA-N 2 0 371.550 3.707 40 0 FHABRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccncc2)CC3)c1 ZINC000096157459 570478081 /nfs/dbraw/zinc/47/80/81/570478081.db2.gz AIXCQMVDCXQQAC-UHFFFAOYSA-N 2 0 351.494 3.578 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000247898025 571126170 /nfs/dbraw/zinc/12/61/70/571126170.db2.gz VGJPISYSDZRTCU-IBGZPJMESA-N 2 0 371.550 3.504 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000247891265 571126210 /nfs/dbraw/zinc/12/62/10/571126210.db2.gz TUIRYEXYLFVJOK-HXUWFJFHSA-N 2 0 371.550 3.504 40 0 FHABRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000128996767 571275426 /nfs/dbraw/zinc/27/54/26/571275426.db2.gz YWQUXMSTEZTNGD-PKTZIBPZSA-N 2 0 365.521 3.606 40 0 FHABRP C[NH+]1CCN(c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216548 570533538 /nfs/dbraw/zinc/53/35/38/570533538.db2.gz IFCDAYCFPSVIIY-NRFANRHFSA-N 2 0 350.510 3.561 40 0 FHABRP C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cccc(C)n1)Cc1ccccc1O2 ZINC000019236342 570883603 /nfs/dbraw/zinc/88/36/03/570883603.db2.gz SKUCYIGDFQIFBV-UHFFFAOYSA-N 2 0 351.494 3.685 40 0 FHABRP CCOC(=O)C(CC[NH+](CC)CC)(CC[NH+](CC)CC)c1ccccc1 ZINC000005698972 204222146 /nfs/dbraw/zinc/22/21/46/204222146.db2.gz VAMOHKZVXBCIKF-UHFFFAOYSA-N 2 0 362.558 3.951 40 0 FHABRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048010 570473725 /nfs/dbraw/zinc/47/37/25/570473725.db2.gz GLASKMKXFKOYEI-LJQANCHMSA-N 2 0 358.457 3.674 40 0 FHABRP COc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC000096157603 570477910 /nfs/dbraw/zinc/47/79/10/570477910.db2.gz PQQPAISEXYVAPQ-UHFFFAOYSA-N 2 0 351.494 3.578 40 0 FHABRP CC1CC[NH+](CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000022533376 570946278 /nfs/dbraw/zinc/94/62/78/570946278.db2.gz ZLVPZGHUJVJLPS-UHFFFAOYSA-N 2 0 371.569 3.770 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000247888578 571126251 /nfs/dbraw/zinc/12/62/51/571126251.db2.gz SJFJZXCSPLNLBZ-IBGZPJMESA-N 2 0 371.550 3.504 40 0 FHABRP C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC000585104440 571224020 /nfs/dbraw/zinc/22/40/20/571224020.db2.gz ZZZGGABTDVOQHX-FQEVSTJZSA-N 2 0 367.537 3.738 40 0 FHABRP Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)c1 ZINC000009062578 571302356 /nfs/dbraw/zinc/30/23/56/571302356.db2.gz PRTZQIMRRVDGNH-UHFFFAOYSA-N 2 0 371.569 3.589 40 0 FHABRP [NH3+][C@@H](CCCCCC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608382 204013163 /nfs/dbraw/zinc/01/31/63/204013163.db2.gz JNYOLDUBIHISNF-PMACEKPBSA-N 2 0 352.478 3.747 40 0 FHABRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C/C=C\C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000017025199 204647876 /nfs/dbraw/zinc/64/78/76/204647876.db2.gz SKSMATDELKNRQJ-WDKHUQPNSA-N 4 0 368.654 3.743 40 0 FHABRP COc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC000096046512 570472961 /nfs/dbraw/zinc/47/29/61/570472961.db2.gz QUTOTGDYEFJATB-UHFFFAOYSA-N 2 0 351.494 3.578 40 0 FHABRP C[C@H](CC[NH+]1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1)c1ccccc1 ZINC000019455642 570889633 /nfs/dbraw/zinc/88/96/33/570889633.db2.gz FANGBTARIGBBFH-GOSISDBHSA-N 2 0 364.537 3.838 40 0 FHABRP CN(CC[NH+](C)C)C1CC[NH+](Cc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000019582441 570895099 /nfs/dbraw/zinc/89/50/99/570895099.db2.gz UTERUMYEXVACNS-UHFFFAOYSA-N 2 0 369.528 3.951 40 0 FHABRP CC1CC[NH+]([C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC000019659662 570897286 /nfs/dbraw/zinc/89/72/86/570897286.db2.gz ZORMOZJDMPRBTD-JOCHJYFZSA-N 2 0 369.553 3.546 40 0 FHABRP CC(=O)N1CCC[C@H]1c1cc(N2CC[NH+](C3CCCCC3)CC2)cc(C)[nH+]1 ZINC000019698256 570898801 /nfs/dbraw/zinc/89/88/01/570898801.db2.gz NINXLPBWHUATEO-QFIPXVFZSA-N 2 0 370.541 3.528 40 0 FHABRP Cc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000039762142 571023602 /nfs/dbraw/zinc/02/36/02/571023602.db2.gz FJFJUPUSZVMYMW-UHFFFAOYSA-N 2 0 371.569 3.589 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](CC1CCCCC1)CC2 ZINC000585103188 571223391 /nfs/dbraw/zinc/22/33/91/571223391.db2.gz MOCXANFNXDEEEE-NRFANRHFSA-N 2 0 371.569 3.822 40 0 FHABRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000128997345 571275369 /nfs/dbraw/zinc/27/53/69/571275369.db2.gz YWQUXMSTEZTNGD-XZOQPEGZSA-N 2 0 365.521 3.606 40 0 FHABRP COc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000096047202 570473303 /nfs/dbraw/zinc/47/33/03/570473303.db2.gz SIOFYTRVAFRCNN-UHFFFAOYSA-N 2 0 365.521 3.968 40 0 FHABRP Cc1noc(C)c1C[NH+]1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000096063021 570475020 /nfs/dbraw/zinc/47/50/20/570475020.db2.gz ZRNFEIVIWHBTDS-UHFFFAOYSA-N 2 0 354.498 3.565 40 0 FHABRP c1csc(C[NH+]2CCC3(C[C@@H]([NH2+][C@@H]4CCOC4)c4ccccc43)CC2)n1 ZINC000096241486 570480000 /nfs/dbraw/zinc/48/00/00/570480000.db2.gz YZYFEDWDMSHYBV-VQIMIIECSA-N 2 0 369.534 3.500 40 0 FHABRP C[NH+](C)CC1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc1O2 ZINC000012088446 570717723 /nfs/dbraw/zinc/71/77/23/570717723.db2.gz KCZZNVVJZASCKP-UHFFFAOYSA-N 2 0 365.521 3.967 40 0 FHABRP C[N@@H+]1CCc2nc([C@@H]3CCCC[NH+]3CCCc3ccccc3)ncc2C1 ZINC000019590310 570895246 /nfs/dbraw/zinc/89/52/46/570895246.db2.gz HTIAXXZBEGUVBM-NRFANRHFSA-N 2 0 350.510 3.624 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CCc1ccccc1)CC2 ZINC000585102725 571223032 /nfs/dbraw/zinc/22/30/32/571223032.db2.gz BYNHLSLBQMXFRD-OAQYLSRUSA-N 2 0 368.521 3.683 40 0 FHABRP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC000096048012 209099735 /nfs/dbraw/zinc/09/97/35/209099735.db2.gz ITSNMXNCBYMEGF-LJQANCHMSA-N 2 0 370.493 3.544 40 0 FHABRP C[NH+](C)C1CCC2(CC1)C[N@H+](Cc1cccnc1)Cc1ccccc1O2 ZINC000019584040 570895297 /nfs/dbraw/zinc/89/52/97/570895297.db2.gz MTHXBIZUPJLOKW-UHFFFAOYSA-N 2 0 351.494 3.719 40 0 FHABRP COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306144883 571042950 /nfs/dbraw/zinc/04/29/50/571042950.db2.gz ZRJCNLGZPILAHR-RTBURBONSA-N 2 0 374.488 3.566 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585102924 571223271 /nfs/dbraw/zinc/22/32/71/571223271.db2.gz IPSPRAOHZPSZRP-HXUWFJFHSA-N 2 0 354.494 3.640 40 0 FHABRP c1ccc(C[NH+]2CCC3(CC2)NN=C2CC[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000091244422 571238564 /nfs/dbraw/zinc/23/85/64/571238564.db2.gz DRLOKFIDLJPWAC-JOCHJYFZSA-N 2 0 374.532 3.503 40 0 FHABRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccsc1)CC2 ZINC000096051789 209101647 /nfs/dbraw/zinc/10/16/47/209101647.db2.gz UGTNPFDMWGTSNB-HXUWFJFHSA-N 2 0 371.550 3.646 40 0 FHABRP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4ccncc4)CC3)CC2)c1 ZINC000096047248 209101101 /nfs/dbraw/zinc/10/11/01/209101101.db2.gz KILLWPVSGLONLO-UHFFFAOYSA-N 2 0 365.521 3.968 40 0 FHABRP C[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)c1ccccc1 ZINC000585274414 570487446 /nfs/dbraw/zinc/48/74/46/570487446.db2.gz WFMXKHSGWHAWSJ-HSZRJFAPSA-N 2 0 368.521 3.717 40 0 FHABRP C/C(=C\c1ccccc1)C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019014404 570879260 /nfs/dbraw/zinc/87/92/60/570879260.db2.gz XQCFENRZTPATLO-ITICKHJUSA-N 2 0 362.521 3.747 40 0 FHABRP CC(C)(C[NH+]1CCCC1)C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000072395186 571190878 /nfs/dbraw/zinc/19/08/78/571190878.db2.gz JWUSVCIEWHCTIR-VQTJNVASSA-N 2 0 352.526 3.715 40 0 FHABRP Cc1nc2c(n1C(C)C)C[N@@H+](CC1CC1)CC21CC[NH+](CC(C)C)CC1 ZINC000306132533 571214139 /nfs/dbraw/zinc/21/41/39/571214139.db2.gz LLOPULPCSFDWSV-UHFFFAOYSA-N 2 0 358.574 3.988 40 0 FHABRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000128997142 571275404 /nfs/dbraw/zinc/27/54/04/571275404.db2.gz YWQUXMSTEZTNGD-DHIUTWEWSA-N 2 0 365.521 3.606 40 0 FHABRP Cc1ccc(C[NH2+][C@H]2CC3(CC[NH+](CCO)CC3)c3ccccc32)s1 ZINC000096241501 209143185 /nfs/dbraw/zinc/14/31/85/209143185.db2.gz GFXBLAITXAFFRL-FQEVSTJZSA-N 2 0 356.535 3.617 40 0 FHABRP COc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccncc4)C3)CC2)c1 ZINC000096157604 209126504 /nfs/dbraw/zinc/12/65/04/209126504.db2.gz UGZUJSJEYMEPCX-UHFFFAOYSA-N 2 0 351.494 3.578 40 0 FHABRP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)C1 ZINC000038772287 208206126 /nfs/dbraw/zinc/20/61/26/208206126.db2.gz IGOHKKBDCHTTCO-FQEVSTJZSA-N 2 0 371.569 3.914 40 0 FHABRP Cc1[nH+]c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)c2ccccn12 ZINC000043568722 208307032 /nfs/dbraw/zinc/30/70/32/208307032.db2.gz PAEYFZLXFURZKC-SFTDATJTSA-N 2 0 360.505 3.534 40 0 FHABRP CC1CC[NH+](Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000044907935 208321790 /nfs/dbraw/zinc/32/17/90/208321790.db2.gz NXBIJQWPBBBYRT-UHFFFAOYSA-N 2 0 371.569 3.914 40 0 FHABRP c1ccc(C[NH+]2CCC3(CC2)NN=C2CC[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000091244423 208971472 /nfs/dbraw/zinc/97/14/72/208971472.db2.gz DRLOKFIDLJPWAC-QFIPXVFZSA-N 2 0 374.532 3.503 40 0 FHABRP C[NH+]1CCN(c2ncccc2[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000072216609 570533571 /nfs/dbraw/zinc/53/35/71/570533571.db2.gz LNVBLEIGBNMYPA-OAQYLSRUSA-N 2 0 350.510 3.561 40 0 FHABRP Cc1ncc(-c2cncc(C3CC[NH+](Cc4ccccc4F)CC3)n2)n1C ZINC000585182481 571238220 /nfs/dbraw/zinc/23/82/20/571238220.db2.gz PRKZKGBNZYZFGA-UHFFFAOYSA-N 2 0 365.456 3.704 40 0 FHABRP C[C@@H](C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000247720449 571290785 /nfs/dbraw/zinc/29/07/85/571290785.db2.gz AAHATHJUMQGFQP-UWJYYQICSA-N 2 0 350.510 3.795 40 0 FHABRP Fc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000107790837 209280593 /nfs/dbraw/zinc/28/05/93/209280593.db2.gz JDTZOSNZFMVBSC-GHTZIAJQSA-N 2 0 355.457 3.704 40 0 FHABRP c1coc(C[NH+]2CCC3(CC2)C[C@@H]([NH2+][C@@H]2CCOC2)c2ccccc2O3)c1 ZINC000096079854 209110551 /nfs/dbraw/zinc/11/05/51/209110551.db2.gz FNQIRBRMTNLLTF-YLJYHZDGSA-N 2 0 368.477 3.517 40 0 FHABRP C/C(=C\c1ccccc1)C[NH+]1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019014366 570879395 /nfs/dbraw/zinc/87/93/95/570879395.db2.gz DIKBXESCLAUHJG-NBVRZTHBSA-N 2 0 362.521 3.747 40 0 FHABRP CC(C)C[N@@H+]1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019447216 570889285 /nfs/dbraw/zinc/88/92/85/570889285.db2.gz XXJDQGOJWDLTHW-UHFFFAOYSA-N 2 0 358.526 3.551 40 0 FHABRP COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306144881 571043051 /nfs/dbraw/zinc/04/30/51/571043051.db2.gz ZRJCNLGZPILAHR-OALUTQOASA-N 2 0 374.488 3.566 40 0 FHABRP COCCn1ccnc1[C@@H]1C[N@H+](Cc2ccccc2F)Cc2ccccc21 ZINC000306131811 571213926 /nfs/dbraw/zinc/21/39/26/571213926.db2.gz KQCPPJIOQOUHKE-HXUWFJFHSA-N 2 0 365.452 3.816 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102995 571223150 /nfs/dbraw/zinc/22/31/50/571223150.db2.gz KLRNCZOBTRMAMW-KRWDZBQOSA-N 2 0 360.523 3.702 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](CC1CCCCC1)CC2 ZINC000585103189 571223499 /nfs/dbraw/zinc/22/34/99/571223499.db2.gz MOCXANFNXDEEEE-OAQYLSRUSA-N 2 0 371.569 3.822 40 0 FHABRP c1coc(C[NH+]2CCC3(CC2)C[C@H]([NH2+][C@H]2CCOC2)c2ccccc2O3)c1 ZINC000096079857 209110319 /nfs/dbraw/zinc/11/03/19/209110319.db2.gz FNQIRBRMTNLLTF-PXNSSMCTSA-N 2 0 368.477 3.517 40 0 FHABRP C[NH+](C)Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 ZINC000012344907 570738607 /nfs/dbraw/zinc/73/86/07/570738607.db2.gz YFSKCODKLVXBBJ-AIZNXBIQSA-N 2 0 368.496 3.902 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585104248 571223979 /nfs/dbraw/zinc/22/39/79/571223979.db2.gz XCRYSKWSQSIYGQ-SFHVURJKSA-N 2 0 360.523 3.702 40 0 FHABRP COc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019461001 220261011 /nfs/dbraw/zinc/26/10/11/220261011.db2.gz HHNZGVTXKLEKBJ-GOSISDBHSA-N 2 0 360.542 3.843 40 0 FHABRP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)C1 ZINC000030755490 208004312 /nfs/dbraw/zinc/00/43/12/208004312.db2.gz BKKUIRVWSRPBLT-IBGZPJMESA-N 2 0 357.542 3.524 40 0 FHABRP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4cnn(C)c4)CC3)C2)cc1 ZINC000096047375 209099484 /nfs/dbraw/zinc/09/94/84/209099484.db2.gz MMIASXJSMNJWDG-UHFFFAOYSA-N 2 0 352.526 3.607 40 0 FHABRP C/C(=C\c1ccccc1)C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019014406 570879278 /nfs/dbraw/zinc/87/92/78/570879278.db2.gz XQCFENRZTPATLO-ZPBCLNFZSA-N 2 0 362.521 3.747 40 0 FHABRP CC1CC[NH+](CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000020453113 570916588 /nfs/dbraw/zinc/91/65/88/570916588.db2.gz NLXBETFWECSZLA-HXUWFJFHSA-N 2 0 371.569 3.770 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+]([C@H]2CCOC2)Cc2ccccc23)o1 ZINC000096242600 209143609 /nfs/dbraw/zinc/14/36/09/209143609.db2.gz AGGAOMOCLIKJET-FQEVSTJZSA-N 2 0 366.505 3.726 40 0 FHABRP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)C1 ZINC000030755487 208003810 /nfs/dbraw/zinc/00/38/10/208003810.db2.gz BKKUIRVWSRPBLT-LJQANCHMSA-N 2 0 357.542 3.524 40 0 FHABRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cccs1)CC2 ZINC000096051787 209103193 /nfs/dbraw/zinc/10/31/93/209103193.db2.gz NRJXUCWHZFBPLU-LJQANCHMSA-N 2 0 371.550 3.646 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccncc4)CO3)CC2)s1 ZINC000096048080 209099997 /nfs/dbraw/zinc/09/99/97/209099997.db2.gz JTQPDMLBILCJJO-IBGZPJMESA-N 2 0 371.550 3.707 40 0 FHABRP C[NH+]1CCN(c2ncccc2[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000072216608 570533602 /nfs/dbraw/zinc/53/36/02/570533602.db2.gz LNVBLEIGBNMYPA-NRFANRHFSA-N 2 0 350.510 3.561 40 0 FHABRP c1ccc(-c2ccc[n+](CCCC[n+]3cccc(-c4ccccn4)c3)c2)nc1 ZINC000012943527 570768182 /nfs/dbraw/zinc/76/81/82/570768182.db2.gz CAYRUOIKZPHVBA-UHFFFAOYSA-N 2 0 368.484 3.866 40 0 FHABRP COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000019084901 570880449 /nfs/dbraw/zinc/88/04/49/570880449.db2.gz DJTYLKLGKCPIDX-DETIRCLXSA-N 2 0 372.553 3.632 40 0 FHABRP C[C@@H](C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000019456143 570889667 /nfs/dbraw/zinc/88/96/67/570889667.db2.gz AAHATHJUMQGFQP-LAUBAEHRSA-N 2 0 350.510 3.795 40 0 FHABRP CC[NH+](CC)C[C@H]1CCCN(Cc2cnc(-c3ccc(OC)cc3)nc2)C1 ZINC000019526358 570891640 /nfs/dbraw/zinc/89/16/40/570891640.db2.gz FOKXDCIFGHLSLW-GOSISDBHSA-N 2 0 368.525 3.706 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccccc1F)CC2 ZINC000247841225 571125771 /nfs/dbraw/zinc/12/57/71/571125771.db2.gz LAFYASKUKSDDGU-LJQANCHMSA-N 2 0 372.484 3.779 40 0 FHABRP C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3ccccc3OC)n(C)n2)CC1 ZINC000100687706 209215983 /nfs/dbraw/zinc/21/59/83/209215983.db2.gz XKKBWNQHNUYXCZ-HDICACEKSA-N 2 0 370.541 3.554 40 0 FHABRP COc1ccccc1C[N@H+](C[C@@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740484 208172601 /nfs/dbraw/zinc/17/26/01/208172601.db2.gz DWHDLFNBJMMUMB-KRWDZBQOSA-N 2 0 360.542 3.843 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)s1 ZINC000096048052 209101188 /nfs/dbraw/zinc/10/11/88/209101188.db2.gz WPXIZUQYMGVQMH-IBGZPJMESA-N 2 0 371.550 3.707 40 0 FHABRP [NH3+][C@H](CCCCCC[C@@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608383 570502821 /nfs/dbraw/zinc/50/28/21/570502821.db2.gz JNYOLDUBIHISNF-WOJBJXKFSA-N 2 0 352.478 3.747 40 0 FHABRP COc1cccc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)c1 ZINC000019588426 570895073 /nfs/dbraw/zinc/89/50/73/570895073.db2.gz BDJXUTULDJTASH-UHFFFAOYSA-N 2 0 352.478 3.554 40 0 FHABRP Cc1nc2c(n1C(C)C)CN(C)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306144913 571042799 /nfs/dbraw/zinc/04/27/99/571042799.db2.gz ZRZCSUHWEYRVNU-UHFFFAOYSA-N 2 0 352.526 3.752 40 0 FHABRP COCCn1ccnc1[C@H]1C[N@H+](Cc2ccccc2F)Cc2ccccc21 ZINC000306131810 571213768 /nfs/dbraw/zinc/21/37/68/571213768.db2.gz KQCPPJIOQOUHKE-FQEVSTJZSA-N 2 0 365.452 3.816 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000585103939 571222748 /nfs/dbraw/zinc/22/27/48/571222748.db2.gz UIPNZSRBUHNLMM-GOSISDBHSA-N 2 0 360.523 3.702 40 0 FHABRP c1ccc(C[NH+]2CCC(N3CC[NH+](C4CCCCCC4)CC3)CC2)cc1 ZINC000020522469 211286002 /nfs/dbraw/zinc/28/60/02/211286002.db2.gz RBZLLTYQTDYKHT-UHFFFAOYSA-N 2 0 355.570 3.991 40 0 FHABRP C[C@@H](CC[NH+]1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1)c1ccccc1 ZINC000019455640 211224564 /nfs/dbraw/zinc/22/45/64/211224564.db2.gz FANGBTARIGBBFH-SFHVURJKSA-N 2 0 364.537 3.838 40 0 FHABRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C/C=C/C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000006382013 210669846 /nfs/dbraw/zinc/66/98/46/210669846.db2.gz SKSMATDELKNRQJ-YKTZESGISA-N 4 0 368.654 3.743 40 0 FHABRP c1csc(C[NH+]2CCC3(C[C@H]([NH2+][C@H]4CCOC4)c4ccccc43)CC2)n1 ZINC000096241489 222096502 /nfs/dbraw/zinc/09/65/02/222096502.db2.gz YZYFEDWDMSHYBV-LPHOPBHVSA-N 2 0 369.534 3.500 40 0 FHABRP CC(C)[NH+]1CCC2(C[C@@H](COCC3CC3)[N@H+](Cc3cccnc3)C2)CC1 ZINC000096219128 222083966 /nfs/dbraw/zinc/08/39/66/222083966.db2.gz DTMUPLFCPIZAFK-NRFANRHFSA-N 2 0 357.542 3.573 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585103554 571222422 /nfs/dbraw/zinc/22/24/22/571222422.db2.gz POGLAYFSEAUHFZ-IBGZPJMESA-N 2 0 360.523 3.702 40 0 FHABRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1(c2ccc(Cl)cc2Cl)CC1 ZINC000019590036 211238158 /nfs/dbraw/zinc/23/81/58/211238158.db2.gz PZRGQEKGTGWKBT-UHFFFAOYSA-N 2 0 370.368 3.594 40 0 FHABRP CC(C)(C[NH+]1CCCCC1)NC(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000019662410 211244400 /nfs/dbraw/zinc/24/44/00/211244400.db2.gz ULYWTOGYQOJAPV-UHFFFAOYSA-N 2 0 357.542 3.667 40 0 FHABRP CCOc1ccccc1C[N@@H+]1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000019520204 211225160 /nfs/dbraw/zinc/22/51/60/211225160.db2.gz XHQXUNYWSOQPRF-UHFFFAOYSA-N 2 0 366.505 3.944 40 0 FHABRP COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccccc1 ZINC000008373832 570680759 /nfs/dbraw/zinc/68/07/59/570680759.db2.gz AHIVDJKFMMAUNV-UHFFFAOYSA-N 2 0 362.901 3.969 40 0 FHABRP Cc1cc(Nc2ccccn2)cc(C2CC[NH+](Cc3cnn(C)c3)CC2)[nH+]1 ZINC000257331097 223068252 /nfs/dbraw/zinc/06/82/52/223068252.db2.gz XRIMKRUQZYYKSP-UHFFFAOYSA-N 2 0 362.481 3.642 40 0 FHABRP C[N@@H+]1CCc2nc([C@H]3CCCC[NH+]3CCCc3ccccc3)ncc2C1 ZINC000019590311 211238810 /nfs/dbraw/zinc/23/88/10/211238810.db2.gz HTIAXXZBEGUVBM-OAQYLSRUSA-N 2 0 350.510 3.624 40 0 FHABRP C[NH+](C)C1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc1O2 ZINC000019583962 211237288 /nfs/dbraw/zinc/23/72/88/211237288.db2.gz KRAUSGOATLFVSF-UHFFFAOYSA-N 2 0 351.494 3.719 40 0 FHABRP C[C@H](C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000019456145 211223523 /nfs/dbraw/zinc/22/35/23/211223523.db2.gz AAHATHJUMQGFQP-DYESRHJHSA-N 2 0 350.510 3.795 40 0 FHABRP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000247847014 571125943 /nfs/dbraw/zinc/12/59/43/571125943.db2.gz NGVYBXXYVAWOFM-LJQANCHMSA-N 2 0 371.550 3.504 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000585102666 571222921 /nfs/dbraw/zinc/22/29/21/571222921.db2.gz ALXOJOBEXRRIGK-KRWDZBQOSA-N 2 0 360.523 3.702 40 0 FHABRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000128996959 571275398 /nfs/dbraw/zinc/27/53/98/571275398.db2.gz YWQUXMSTEZTNGD-GOTSBHOMSA-N 2 0 365.521 3.606 40 0 FHABRP C[NH2+]C1CCC2(CC1)C[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1O2 ZINC000019591985 211239468 /nfs/dbraw/zinc/23/94/68/211239468.db2.gz ISEXLDZQGBHYOQ-UHFFFAOYSA-N 2 0 366.505 3.991 40 0 FHABRP c1csc(C[NH+]2CCC3(C[C@@H]([NH2+][C@H]4CCOC4)c4ccccc43)CC2)n1 ZINC000096241488 222096588 /nfs/dbraw/zinc/09/65/88/222096588.db2.gz YZYFEDWDMSHYBV-QFBILLFUSA-N 2 0 369.534 3.500 40 0 FHABRP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc1 ZINC000096048953 570474530 /nfs/dbraw/zinc/47/45/30/570474530.db2.gz PRUOIDDQUVORER-UHFFFAOYSA-N 2 0 366.505 3.562 40 0 FHABRP C[NH2+]CCCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008376960 570680703 /nfs/dbraw/zinc/68/07/03/570680703.db2.gz LUVBSITYQFOSCZ-UHFFFAOYSA-N 2 0 366.864 3.766 40 0 FHABRP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000247846080 571125836 /nfs/dbraw/zinc/12/58/36/571125836.db2.gz MRCNLDJJBTYBNH-GOSISDBHSA-N 2 0 371.550 3.504 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000247879626 571126082 /nfs/dbraw/zinc/12/60/82/571126082.db2.gz PRUAQKGROQNVMU-IBGZPJMESA-N 2 0 372.484 3.779 40 0 FHABRP C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC000585104444 571223887 /nfs/dbraw/zinc/22/38/87/571223887.db2.gz ZZZGGABTDVOQHX-HXUWFJFHSA-N 2 0 367.537 3.738 40 0 FHABRP CC(C)c1nc2c(s1)C[N@H+](C)CC21CC[NH+](Cc2cccnc2)CC1 ZINC000306124003 210049434 /nfs/dbraw/zinc/04/94/34/210049434.db2.gz BCYFOMFQAGUDOM-UHFFFAOYSA-N 2 0 356.539 3.641 40 0 FHABRP Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)cc1 ZINC000039755012 263399401 /nfs/dbraw/zinc/39/94/01/263399401.db2.gz HPNUDTXPWNWAEX-UHFFFAOYSA-N 2 0 371.569 3.589 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585102923 571223250 /nfs/dbraw/zinc/22/32/50/571223250.db2.gz IPSPRAOHZPSZRP-FQEVSTJZSA-N 2 0 354.494 3.640 40 0 FHABRP CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062531 571302385 /nfs/dbraw/zinc/30/23/85/571302385.db2.gz YSYQSXWEJBDDOP-QFIPXVFZSA-N 2 0 371.569 3.669 40 0 FHABRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cccs1)CC2 ZINC000096051786 222003753 /nfs/dbraw/zinc/00/37/53/222003753.db2.gz NRJXUCWHZFBPLU-IBGZPJMESA-N 2 0 371.550 3.646 40 0 FHABRP c1coc(C[NH+]2CCC3(CC2)C[C@@H]([NH2+][C@H]2CCOC2)c2ccccc2O3)c1 ZINC000096079856 222017495 /nfs/dbraw/zinc/01/74/95/222017495.db2.gz FNQIRBRMTNLLTF-FXAWDEMLSA-N 2 0 368.477 3.517 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4cccnc4)CO3)CC2)s1 ZINC000096047984 570473813 /nfs/dbraw/zinc/47/38/13/570473813.db2.gz LXYQRERNWLVSLS-IBGZPJMESA-N 2 0 371.550 3.707 40 0 FHABRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048011 570473875 /nfs/dbraw/zinc/47/38/75/570473875.db2.gz GLASKMKXFKOYEI-IBGZPJMESA-N 2 0 358.457 3.674 40 0 FHABRP Fc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000107790842 570525496 /nfs/dbraw/zinc/52/54/96/570525496.db2.gz JDTZOSNZFMVBSC-RXVVDRJESA-N 2 0 355.457 3.704 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102711 571222867 /nfs/dbraw/zinc/22/28/67/571222867.db2.gz BHPZCSBGGMRBCQ-GOSISDBHSA-N 2 0 358.482 3.542 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000585103225 571223428 /nfs/dbraw/zinc/22/34/28/571223428.db2.gz NQDIHRQDSQUGKS-FQEVSTJZSA-N 2 0 371.550 3.504 40 0 FHABRP c1coc(C[NH+]2CCC3(CC2)C[C@H]([NH2+][C@@H]2CCOC2)c2ccccc2O3)c1 ZINC000096079855 222017215 /nfs/dbraw/zinc/01/72/15/222017215.db2.gz FNQIRBRMTNLLTF-XLIONFOSSA-N 2 0 368.477 3.517 40 0 FHABRP C[NH+](C)CC1CCC2(CC1)C[N@H+](Cc1ccccn1)Cc1ccccc1O2 ZINC000012088447 570717478 /nfs/dbraw/zinc/71/74/78/570717478.db2.gz SBKWOMXIYPXXPV-UHFFFAOYSA-N 2 0 365.521 3.967 40 0 FHABRP COc1ccc(C[NH+]2CCC(O)(c3ccccc3C)CC2)cc1C[NH+](C)C ZINC000012188741 570725353 /nfs/dbraw/zinc/72/53/53/570725353.db2.gz NHNBLSWSXDBSEL-UHFFFAOYSA-N 2 0 368.521 3.549 40 0 FHABRP C(/C=C\[NH+]1CCN(c2ccccc2)CC1)=C/N1CCN(c2ccccc2)CC1 ZINC000031667145 571055172 /nfs/dbraw/zinc/05/51/72/571055172.db2.gz MHXRSOOLNSFARD-PVRNWPCDSA-N 2 0 374.532 3.658 40 0 FHABRP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000247888581 571126282 /nfs/dbraw/zinc/12/62/82/571126282.db2.gz SJFJZXCSPLNLBZ-LJQANCHMSA-N 2 0 371.550 3.504 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000585103941 571222706 /nfs/dbraw/zinc/22/27/06/571222706.db2.gz UIPNZSRBUHNLMM-SFHVURJKSA-N 2 0 360.523 3.702 40 0 FHABRP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102997 571223243 /nfs/dbraw/zinc/22/32/43/571223243.db2.gz KLRNCZOBTRMAMW-QGZVFWFLSA-N 2 0 360.523 3.702 40 0 FHABRP Fc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000096075777 222013826 /nfs/dbraw/zinc/01/38/26/222013826.db2.gz JDTZOSNZFMVBSC-NQIIRXRSSA-N 2 0 355.457 3.704 40 0 FHABRP CC(C)[NH+]1CCC2(C[C@H](COCC3CC3)[N@H+](Cc3cccnc3)C2)CC1 ZINC000096219127 222083656 /nfs/dbraw/zinc/08/36/56/222083656.db2.gz DTMUPLFCPIZAFK-OAQYLSRUSA-N 2 0 357.542 3.573 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CCc1ccccc1)CC2 ZINC000585102724 571222888 /nfs/dbraw/zinc/22/28/88/571222888.db2.gz BYNHLSLBQMXFRD-NRFANRHFSA-N 2 0 368.521 3.683 40 0 FHABRP C[NH+](C)CC1CCC2(CC1)C[N@H+](Cc1cccnc1)Cc1ccccc1O2 ZINC000012088445 219951946 /nfs/dbraw/zinc/95/19/46/219951946.db2.gz VHVASDKSLCWDAW-UHFFFAOYSA-N 2 0 365.521 3.967 40 0 FHABRP C[NH+]1CCN(c2ccc([C@H]3CCCC[N@@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216549 570533404 /nfs/dbraw/zinc/53/34/04/570533404.db2.gz IFCDAYCFPSVIIY-OAQYLSRUSA-N 2 0 350.510 3.561 40 0 FHABRP CC[NH+]1CCC2(CC1)C[N@H+](Cc1cccnc1)Cc1cc(C)ccc1O2 ZINC000072394194 571190345 /nfs/dbraw/zinc/19/03/45/571190345.db2.gz NQGAPSBZUNOEGD-UHFFFAOYSA-N 2 0 351.494 3.639 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102659 571222834 /nfs/dbraw/zinc/22/28/34/571222834.db2.gz AFPONOAHLPMYTC-SFHVURJKSA-N 2 0 360.523 3.702 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102658 571222951 /nfs/dbraw/zinc/22/29/51/571222951.db2.gz AFPONOAHLPMYTC-GOSISDBHSA-N 2 0 360.523 3.702 40 0 FHABRP CC[NH+](CC)C[C@@H]1CCCN(Cc2cnc(-c3ccc(OC)cc3)nc2)C1 ZINC000019526357 220268549 /nfs/dbraw/zinc/26/85/49/220268549.db2.gz FOKXDCIFGHLSLW-SFHVURJKSA-N 2 0 368.525 3.706 40 0 FHABRP Cc1cc(C[NH+]2CCC3(C[C@H](C[NH+]4CCC(F)(F)CC4)O3)CC2)oc1C ZINC000306137838 533595782 /nfs/dbraw/zinc/59/57/82/533595782.db2.gz RHTMYTCORCHNRM-GOSISDBHSA-N 2 0 368.468 3.751 40 0 FHABRP Fc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](CNc4cc[nH+]cc4)CO3)C2)c1 ZINC000096075778 222014446 /nfs/dbraw/zinc/01/44/46/222014446.db2.gz JDTZOSNZFMVBSC-WIYYLYMNSA-N 2 0 355.457 3.704 40 0 FHABRP C[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)c1ccccc1 ZINC000585274419 570487369 /nfs/dbraw/zinc/48/73/69/570487369.db2.gz WFMXKHSGWHAWSJ-QHCPKHFHSA-N 2 0 368.521 3.717 40 0 FHABRP O[C@@H](CCCCCCCC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000005566880 570630695 /nfs/dbraw/zinc/63/06/95/570630695.db2.gz KSBMOZRBGBWYTL-VXKWHMMOSA-N 2 0 368.606 3.801 40 0 FHABRP COc1cc(CNCCC[NH+](C)C)ccc1OCc1cccc(Cl)c1 ZINC000008373859 570680871 /nfs/dbraw/zinc/68/08/71/570680871.db2.gz HTALIHBPXWTAMG-UHFFFAOYSA-N 2 0 362.901 3.969 40 0 FHABRP Cc1cc(C[NH+]2CCC3(C[C@@H](C[NH+]4CCC(F)(F)CC4)O3)CC2)oc1C ZINC000306137839 533596445 /nfs/dbraw/zinc/59/64/45/533596445.db2.gz RHTMYTCORCHNRM-SFHVURJKSA-N 2 0 368.468 3.751 40 0 FHABRP Cc1noc(C)c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157583 222058178 /nfs/dbraw/zinc/05/81/78/222058178.db2.gz LXDAFSUCACWYJC-UHFFFAOYSA-N 2 0 357.473 3.919 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4cccnc4)CO3)CC2)s1 ZINC000096047985 570473532 /nfs/dbraw/zinc/47/35/32/570473532.db2.gz LXYQRERNWLVSLS-LJQANCHMSA-N 2 0 371.550 3.707 40 0 FHABRP COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000008373861 570680843 /nfs/dbraw/zinc/68/08/43/570680843.db2.gz POBQZFOMKQOPDB-UHFFFAOYSA-N 2 0 362.901 3.969 40 0 FHABRP CC(=O)N[C@@H]1C[N@H+](CCC2=C(C)CCCC2(C)C)C2(C1)CC[NH+](C)CC2 ZINC000019703851 570857557 /nfs/dbraw/zinc/85/75/57/570857557.db2.gz UEZGADKAJAWHHT-IBGZPJMESA-N 2 0 361.574 3.578 40 0 FHABRP CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062530 571302344 /nfs/dbraw/zinc/30/23/44/571302344.db2.gz YSYQSXWEJBDDOP-JOCHJYFZSA-N 2 0 371.569 3.669 40 0 FHABRP O[C@H](CCCCCCCC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000017156267 220207092 /nfs/dbraw/zinc/20/70/92/220207092.db2.gz KSBMOZRBGBWYTL-SZPZYZBQSA-N 2 0 368.606 3.801 40 0 FHABRP C[N@H+](Cc1ccccn1)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2 ZINC000019590892 220277856 /nfs/dbraw/zinc/27/78/56/220277856.db2.gz HTKJEVLCRUQWQS-UHFFFAOYSA-N 2 0 351.494 3.719 40 0 FHABRP C[NH2+]C1CCC2(CC1)C[N@H+](Cc1ccccc1OC)Cc1ccccc1O2 ZINC000019592018 220278415 /nfs/dbraw/zinc/27/84/15/220278415.db2.gz PBWHYNPVMFCBAN-UHFFFAOYSA-N 2 0 366.505 3.991 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC000096048009 222000280 /nfs/dbraw/zinc/00/02/80/222000280.db2.gz VOCQLLFZGXDCIL-QGZVFWFLSA-N 2 0 360.523 3.905 40 0 FHABRP CC(C)[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096207054 222077003 /nfs/dbraw/zinc/07/70/03/222077003.db2.gz YIEOQHMHLDHNLR-OAQYLSRUSA-N 2 0 357.542 3.573 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220968 222085820 /nfs/dbraw/zinc/08/58/20/222085820.db2.gz VSQOOQYTVGXACY-HXUWFJFHSA-N 2 0 354.494 3.844 40 0 FHABRP C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c([O-])c(C[NH+]3CCCCC3)coc1=O)C2 ZINC000100797371 222253675 /nfs/dbraw/zinc/25/36/75/222253675.db2.gz BGMYQYRUPAWSIA-VGOFRKELSA-N 2 0 374.525 3.732 40 0 FHABRP COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000008373856 570680716 /nfs/dbraw/zinc/68/07/16/570680716.db2.gz PDMCFISMQIQCPA-UHFFFAOYSA-N 2 0 362.901 3.969 40 0 FHABRP CC(C)(C[NH+]1CCCC1)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012219975 570728480 /nfs/dbraw/zinc/72/84/80/570728480.db2.gz PMXVSZGZRAMYHV-RLAPIPATSA-N 2 0 360.517 3.762 40 0 FHABRP C[NH+](C)Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1 ZINC000012344918 570738831 /nfs/dbraw/zinc/73/88/31/570738831.db2.gz IKWCRPMLZNRWKY-AIZNXBIQSA-N 2 0 368.496 3.902 40 0 FHABRP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)C1 ZINC000038772286 571086656 /nfs/dbraw/zinc/08/66/56/571086656.db2.gz IGOHKKBDCHTTCO-HXUWFJFHSA-N 2 0 371.569 3.914 40 0 FHABRP Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1)CC1(CC[NH+](C)CC1)O2 ZINC000072394182 571190373 /nfs/dbraw/zinc/19/03/73/571190373.db2.gz VGTJICRZYNZJBZ-UHFFFAOYSA-N 2 0 354.469 3.993 40 0 FHABRP Cc1cccc(C[N@@H+](C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)n1 ZINC000019236100 220243160 /nfs/dbraw/zinc/24/31/60/220243160.db2.gz IOFIWTDSYMDOMK-UHFFFAOYSA-N 2 0 351.494 3.685 40 0 FHABRP COc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019460999 220261234 /nfs/dbraw/zinc/26/12/34/220261234.db2.gz HHNZGVTXKLEKBJ-SFHVURJKSA-N 2 0 360.542 3.843 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)s1 ZINC000096048952 222000180 /nfs/dbraw/zinc/00/01/80/222000180.db2.gz OJFPOTPCAVGNTJ-UHFFFAOYSA-N 2 0 356.535 3.924 40 0 FHABRP c1csc(C[NH+]2CCC3(C[C@H]([NH2+][C@@H]4CCOC4)c4ccccc43)CC2)n1 ZINC000096241487 222097024 /nfs/dbraw/zinc/09/70/24/222097024.db2.gz YZYFEDWDMSHYBV-APWZRJJASA-N 2 0 369.534 3.500 40 0 FHABRP C[NH+](C)CCN1CCC2(C[C@@H]([NH2+]Cc3cccs3)c3ccccc32)CC1 ZINC000096241441 222097340 /nfs/dbraw/zinc/09/73/40/222097340.db2.gz OKZOBKJZKFTJEG-OAQYLSRUSA-N 2 0 369.578 3.878 40 0 FHABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220966 222085518 /nfs/dbraw/zinc/08/55/18/222085518.db2.gz VSQOOQYTVGXACY-FQEVSTJZSA-N 2 0 354.494 3.844 40 0 FHABRP COc1cccc(CNCCC[NH+](C)C)c1OCc1ccc(Cl)cc1 ZINC000008373897 570680773 /nfs/dbraw/zinc/68/07/73/570680773.db2.gz DDCXDEYPXCMCHX-UHFFFAOYSA-N 2 0 362.901 3.969 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000247846082 571125803 /nfs/dbraw/zinc/12/58/03/571125803.db2.gz MRCNLDJJBTYBNH-SFHVURJKSA-N 2 0 371.550 3.504 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585103556 571222506 /nfs/dbraw/zinc/22/25/06/571222506.db2.gz POGLAYFSEAUHFZ-LJQANCHMSA-N 2 0 360.523 3.702 40 0 FHABRP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585104247 571223921 /nfs/dbraw/zinc/22/39/21/571223921.db2.gz XCRYSKWSQSIYGQ-GOSISDBHSA-N 2 0 360.523 3.702 40 0 FHABRP COc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC000096157602 222057799 /nfs/dbraw/zinc/05/77/99/222057799.db2.gz HUMGGTDMGQBZNM-UHFFFAOYSA-N 2 0 351.494 3.578 40 0 FHABRP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4cccnc4)CC3)CC2)c1 ZINC000096047247 570472953 /nfs/dbraw/zinc/47/29/53/570472953.db2.gz DPHVRGLKFGLBMP-UHFFFAOYSA-N 2 0 365.521 3.968 40 0 FHABRP CC[NH+](CC)CCC[C@H](C)[NH2+]C/C=C/C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000006382117 570646166 /nfs/dbraw/zinc/64/61/66/570646166.db2.gz SKSMATDELKNRQJ-KFDAMUOLSA-N 4 0 368.654 3.743 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000247898030 571126193 /nfs/dbraw/zinc/12/61/93/571126193.db2.gz VGJPISYSDZRTCU-LJQANCHMSA-N 2 0 371.550 3.504 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000247879629 571126320 /nfs/dbraw/zinc/12/63/20/571126320.db2.gz PRUAQKGROQNVMU-LJQANCHMSA-N 2 0 372.484 3.779 40 0 FHABRP CC1CC[NH+]([C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC000019659664 220283353 /nfs/dbraw/zinc/28/33/53/220283353.db2.gz ZORMOZJDMPRBTD-QFIPXVFZSA-N 2 0 369.553 3.546 40 0 FHABRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccsc1)CC2 ZINC000096051788 222003661 /nfs/dbraw/zinc/00/36/61/222003661.db2.gz UGTNPFDMWGTSNB-FQEVSTJZSA-N 2 0 371.550 3.646 40 0 FHABRP Cc1ccc(C[NH+]2CC[C@H]3CO[C@H](C[N@@H+](C)Cc4ccco4)[C@H]3C2)s1 ZINC000096056297 222005471 /nfs/dbraw/zinc/00/54/71/222005471.db2.gz VJQCGGUAPPSNMQ-FFZOFVMBSA-N 2 0 360.523 3.618 40 0 FHABRP C[NH+](C)CCN1CCC2(C[C@H]([NH2+]Cc3cccs3)c3ccccc32)CC1 ZINC000096241440 222097056 /nfs/dbraw/zinc/09/70/56/222097056.db2.gz OKZOBKJZKFTJEG-NRFANRHFSA-N 2 0 369.578 3.878 40 0 FHABRP Cc1ccc(C[NH2+][C@@H]2CC3(CC[NH+](CCO)CC3)c3ccccc32)s1 ZINC000096241500 222097382 /nfs/dbraw/zinc/09/73/82/222097382.db2.gz GFXBLAITXAFFRL-HXUWFJFHSA-N 2 0 356.535 3.617 40 0 FHABRP CC(C)[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096207055 222076994 /nfs/dbraw/zinc/07/69/94/222076994.db2.gz YIEOQHMHLDHNLR-NRFANRHFSA-N 2 0 357.542 3.573 40 0 FHABRP CC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](C3CCCCC3)CC2)cc(C)[nH+]1 ZINC000019698255 570898853 /nfs/dbraw/zinc/89/88/53/570898853.db2.gz NINXLPBWHUATEO-JOCHJYFZSA-N 2 0 370.541 3.528 40 0 FHABRP CC1CC[NH+](Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)CC1 ZINC000044908116 571104402 /nfs/dbraw/zinc/10/44/02/571104402.db2.gz GJJLZKQEECKKFS-UHFFFAOYSA-N 2 0 357.542 3.524 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000247847010 571125845 /nfs/dbraw/zinc/12/58/45/571125845.db2.gz NGVYBXXYVAWOFM-IBGZPJMESA-N 2 0 371.550 3.504 40 0 FHABRP COc1ccccc1C[N@@H+]1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000072394168 571190246 /nfs/dbraw/zinc/19/02/46/571190246.db2.gz VDFHJOFDWXKHLZ-UHFFFAOYSA-N 2 0 352.478 3.554 40 0 FHABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102712 571222895 /nfs/dbraw/zinc/22/28/95/571222895.db2.gz BHPZCSBGGMRBCQ-SFHVURJKSA-N 2 0 358.482 3.542 40 0 FHABRP CN(CC[NH+](C)C)C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000019582437 220276800 /nfs/dbraw/zinc/27/68/00/220276800.db2.gz LQMGRADTHBABAV-UHFFFAOYSA-N 2 0 369.528 3.951 40 0 FHABRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000096157556 222058203 /nfs/dbraw/zinc/05/82/03/222058203.db2.gz BBJUMDSGTBAROT-UHFFFAOYSA-N 2 0 351.494 3.578 40 0 FHABRP CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1cc(C)ccc1O2 ZINC000072394195 571190228 /nfs/dbraw/zinc/19/02/28/571190228.db2.gz XDODAEYODIRDJI-UHFFFAOYSA-N 2 0 351.494 3.639 40 0 FHABRP COC[C@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000585103239 571223382 /nfs/dbraw/zinc/22/33/82/571223382.db2.gz NQDIHRQDSQUGKS-HXUWFJFHSA-N 2 0 371.550 3.504 40 0 FHABRP