smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000243310261 206119082 /nfs/dbraw/zinc/11/90/82/206119082.db2.gz LHGJBGWQVIOBPG-UHFFFAOYSA-N 2 2 351.454 3.712 40 0 FHABLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)cc1 ZINC000096049317 570474284 /nfs/dbraw/zinc/47/42/84/570474284.db2.gz SAEWQEMMJPQWQZ-UHFFFAOYSA-N 2 2 351.494 3.721 40 0 FHABLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)cc1 ZINC000096049317 570474288 /nfs/dbraw/zinc/47/42/88/570474288.db2.gz SAEWQEMMJPQWQZ-UHFFFAOYSA-N 2 2 351.494 3.721 40 0 FHABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccc4ccccc4n3)CC2)[N@@H+]1C ZINC000096209196 570478993 /nfs/dbraw/zinc/47/89/93/570478993.db2.gz BXIAGOPCYVHJNQ-FQEVSTJZSA-N 2 2 353.510 3.700 40 0 FHABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccc4ccccc4n3)CC2)[N@H+]1C ZINC000096209196 570478996 /nfs/dbraw/zinc/47/89/96/570478996.db2.gz BXIAGOPCYVHJNQ-FQEVSTJZSA-N 2 2 353.510 3.700 40 0 FHABLP CN(C)c1ncccc1C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000019715721 570900027 /nfs/dbraw/zinc/90/00/27/570900027.db2.gz YODFCZRDNAFUKR-HNNXBMFYSA-N 2 2 367.472 3.618 40 0 FHABLP CN(C)c1ncccc1C[N@H+]1CCC[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000019715721 570900029 /nfs/dbraw/zinc/90/00/29/570900029.db2.gz YODFCZRDNAFUKR-HNNXBMFYSA-N 2 2 367.472 3.618 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2C3)cc1 ZINC000306138486 571040932 /nfs/dbraw/zinc/04/09/32/571040932.db2.gz RYSZQEBCAVUKDB-ROUUACIJSA-N 2 2 365.502 3.925 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccsc4)C[C@@H]2C3)cc1 ZINC000306138486 571040937 /nfs/dbraw/zinc/04/09/37/571040937.db2.gz RYSZQEBCAVUKDB-ROUUACIJSA-N 2 2 365.502 3.925 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccccc21 ZINC000306142720 571042396 /nfs/dbraw/zinc/04/23/96/571042396.db2.gz XHJAEQKUVRQRFY-LJQANCHMSA-N 2 2 353.491 3.739 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccccc21 ZINC000306142720 571042399 /nfs/dbraw/zinc/04/23/99/571042399.db2.gz XHJAEQKUVRQRFY-LJQANCHMSA-N 2 2 353.491 3.739 40 0 FHABLP CC[NH+](CC)CC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2c[nH+]cn21 ZINC000248232367 571128232 /nfs/dbraw/zinc/12/82/32/571128232.db2.gz CEMXJOULJIBFDL-KRWDZBQOSA-N 2 2 366.465 3.558 40 0 FHABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350569 571181990 /nfs/dbraw/zinc/18/19/90/571181990.db2.gz JJNUQKMQKMDWHM-QGZVFWFLSA-N 2 2 362.481 3.560 40 0 FHABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350569 571181991 /nfs/dbraw/zinc/18/19/91/571181991.db2.gz JJNUQKMQKMDWHM-QGZVFWFLSA-N 2 2 362.481 3.560 40 0 FHABLP c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4)n3)cn2)c[nH+]1 ZINC000035425723 204269183 /nfs/dbraw/zinc/26/91/83/204269183.db2.gz CJAPLNIZVVYTIM-SFHVURJKSA-N 2 2 372.432 3.654 40 0 biogenic,in-vitro FHABLP c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccc4)n3)cn2)c[nH+]1 ZINC000035425723 204269185 /nfs/dbraw/zinc/26/91/85/204269185.db2.gz CJAPLNIZVVYTIM-SFHVURJKSA-N 2 2 372.432 3.654 40 0 biogenic,in-vitro FHABLP C[NH+](C)CCCNc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000244423460 206119905 /nfs/dbraw/zinc/11/99/05/206119905.db2.gz YUYIRVDWMARKOJ-UHFFFAOYSA-N 2 2 362.481 3.514 40 0 FHABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)s1 ZINC000096062397 570475002 /nfs/dbraw/zinc/47/50/02/570475002.db2.gz ULTZJBZJPLZPAG-LJQANCHMSA-N 2 2 362.564 3.843 40 0 FHABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)s1 ZINC000096062397 570475005 /nfs/dbraw/zinc/47/50/05/570475005.db2.gz ULTZJBZJPLZPAG-LJQANCHMSA-N 2 2 362.564 3.843 40 0 FHABLP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)s1 ZINC000096062397 570475008 /nfs/dbraw/zinc/47/50/08/570475008.db2.gz ULTZJBZJPLZPAG-LJQANCHMSA-N 2 2 362.564 3.843 40 0 FHABLP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)s1 ZINC000096062397 570475009 /nfs/dbraw/zinc/47/50/09/570475009.db2.gz ULTZJBZJPLZPAG-LJQANCHMSA-N 2 2 362.564 3.843 40 0 FHABLP C[N@@H+]1CCc2nc([C@@H]3CCCC[NH+]3Cc3ccccc3Cl)ncc2C1 ZINC000019590348 570895804 /nfs/dbraw/zinc/89/58/04/570895804.db2.gz QYYRBQWKPSLHOL-IBGZPJMESA-N 2 2 356.901 3.845 40 0 FHABLP C[N@H+]1CCc2nc([C@@H]3CCCC[NH+]3Cc3ccccc3Cl)ncc2C1 ZINC000019590348 570895806 /nfs/dbraw/zinc/89/58/06/570895806.db2.gz QYYRBQWKPSLHOL-IBGZPJMESA-N 2 2 356.901 3.845 40 0 FHABLP C[NH+]1CCc2nc([C@@H]3CCCC[N@@H+]3Cc3ccccc3Cl)ncc2C1 ZINC000019590348 570895807 /nfs/dbraw/zinc/89/58/07/570895807.db2.gz QYYRBQWKPSLHOL-IBGZPJMESA-N 2 2 356.901 3.845 40 0 FHABLP C[NH+]1CCc2nc([C@@H]3CCCC[N@H+]3Cc3ccccc3Cl)ncc2C1 ZINC000019590348 570895808 /nfs/dbraw/zinc/89/58/08/570895808.db2.gz QYYRBQWKPSLHOL-IBGZPJMESA-N 2 2 356.901 3.845 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccs4)C[C@@H]2C3)cc1 ZINC000306135170 571039120 /nfs/dbraw/zinc/03/91/20/571039120.db2.gz OJSVPQZBCAVOEE-IRXDYDNUSA-N 2 2 365.502 3.925 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccs4)C[C@@H]2C3)cc1 ZINC000306135170 571039123 /nfs/dbraw/zinc/03/91/23/571039123.db2.gz OJSVPQZBCAVOEE-IRXDYDNUSA-N 2 2 365.502 3.925 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072355446 571182454 /nfs/dbraw/zinc/18/24/54/571182454.db2.gz CETDDNMVAWAZNZ-KRWDZBQOSA-N 2 2 365.456 3.743 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072355446 571182456 /nfs/dbraw/zinc/18/24/56/571182456.db2.gz CETDDNMVAWAZNZ-KRWDZBQOSA-N 2 2 365.456 3.743 40 0 FHABLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372472 571185257 /nfs/dbraw/zinc/18/52/57/571185257.db2.gz SPTRUJUBIPRDGK-LJQANCHMSA-N 2 2 367.497 3.534 40 0 FHABLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372472 571185260 /nfs/dbraw/zinc/18/52/60/571185260.db2.gz SPTRUJUBIPRDGK-LJQANCHMSA-N 2 2 367.497 3.534 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378679 571186907 /nfs/dbraw/zinc/18/69/07/571186907.db2.gz DIBQYDIKLAHLMN-HXUWFJFHSA-N 2 2 361.493 3.994 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378679 571186909 /nfs/dbraw/zinc/18/69/09/571186909.db2.gz DIBQYDIKLAHLMN-HXUWFJFHSA-N 2 2 361.493 3.994 40 0 FHABLP C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c(O)c(C[NH+]3CCCCC3)coc1=O)C2 ZINC000100797369 206225465 /nfs/dbraw/zinc/22/54/65/206225465.db2.gz BGMYQYRUPAWSIA-JTSKRJEESA-N 2 2 374.525 3.732 40 0 FHABLP C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c(O)c(C[NH+]3CCCCC3)coc1=O)C2 ZINC000100797369 206225469 /nfs/dbraw/zinc/22/54/69/206225469.db2.gz BGMYQYRUPAWSIA-JTSKRJEESA-N 2 2 374.525 3.732 40 0 FHABLP c1cc2cc(C[N@@H+]3CCC[C@@H](c4cncc(-n5cc[nH+]c5)n4)C3)ccc2[nH]1 ZINC000585169382 571237295 /nfs/dbraw/zinc/23/72/95/571237295.db2.gz JCBRASZYTZHKHC-GOSISDBHSA-N 2 2 358.449 3.523 40 0 FHABLP c1cc2cc(C[N@H+]3CCC[C@@H](c4cncc(-n5cc[nH+]c5)n4)C3)ccc2[nH]1 ZINC000585169382 571237296 /nfs/dbraw/zinc/23/72/96/571237296.db2.gz JCBRASZYTZHKHC-GOSISDBHSA-N 2 2 358.449 3.523 40 0 FHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3ccccc3OC)n(C)n2)CC1 ZINC000257329545 571321792 /nfs/dbraw/zinc/32/17/92/571321792.db2.gz XKKBWNQHNUYXCZ-IYARVYRRSA-N 2 2 370.541 3.554 40 0 FHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3ccccc3OC)n(C)n2)CC1 ZINC000257329545 571321793 /nfs/dbraw/zinc/32/17/93/571321793.db2.gz XKKBWNQHNUYXCZ-IYARVYRRSA-N 2 2 370.541 3.554 40 0 FHABLP COc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096051155 570474661 /nfs/dbraw/zinc/47/46/61/570474661.db2.gz MDDAPVNHNAKFCS-HXUWFJFHSA-N 2 2 373.447 3.828 40 0 FHABLP COc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096051155 570474664 /nfs/dbraw/zinc/47/46/64/570474664.db2.gz MDDAPVNHNAKFCS-HXUWFJFHSA-N 2 2 373.447 3.828 40 0 FHABLP Cc1[nH+]c2c(n1C(C)C)CN(C(=O)C1CC1)CC21CC[NH+](CC(C)C)CC1 ZINC000306135829 571039623 /nfs/dbraw/zinc/03/96/23/571039623.db2.gz PCDJNZMFMQPPPD-UHFFFAOYSA-N 2 2 372.557 3.514 40 0 FHABLP [NH3+][C@H](c1ccc(Br)cc1)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000034256740 571068499 /nfs/dbraw/zinc/06/84/99/571068499.db2.gz XURRKKYAGFWNPT-ZIAGYGMSSA-N 2 2 370.088 3.911 40 0 FHABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350648 571182111 /nfs/dbraw/zinc/18/21/11/571182111.db2.gz DBUNONFUUDPDFZ-HXUWFJFHSA-N 2 2 361.493 3.783 40 0 FHABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072350648 571182114 /nfs/dbraw/zinc/18/21/14/571182114.db2.gz DBUNONFUUDPDFZ-HXUWFJFHSA-N 2 2 361.493 3.783 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2cccs2)Cc2ccccc21 ZINC000306123494 571212925 /nfs/dbraw/zinc/21/29/25/571212925.db2.gz AOWKTXYAYJEAJL-LJQANCHMSA-N 2 2 353.491 3.739 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccccc21 ZINC000306123494 571212929 /nfs/dbraw/zinc/21/29/29/571212929.db2.gz AOWKTXYAYJEAJL-LJQANCHMSA-N 2 2 353.491 3.739 40 0 FHABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253407374 560040261 /nfs/dbraw/zinc/04/02/61/560040261.db2.gz WDVMDMCFBZCFTL-OAQYLSRUSA-N 2 2 371.569 3.608 40 0 biogenic,in-vitro FHABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253407374 560040262 /nfs/dbraw/zinc/04/02/62/560040262.db2.gz WDVMDMCFBZCFTL-OAQYLSRUSA-N 2 2 371.569 3.608 40 0 biogenic,in-vitro FHABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253407374 560040263 /nfs/dbraw/zinc/04/02/63/560040263.db2.gz WDVMDMCFBZCFTL-OAQYLSRUSA-N 2 2 371.569 3.608 40 0 biogenic,in-vitro FHABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253407374 560040264 /nfs/dbraw/zinc/04/02/64/560040264.db2.gz WDVMDMCFBZCFTL-OAQYLSRUSA-N 2 2 371.569 3.608 40 0 biogenic,in-vitro FHABLP c1cc(C[NH+]2CCC3(Cc4[nH+]cc(-c5cccnc5)n4C3)CC2)cs1 ZINC000306131765 571213760 /nfs/dbraw/zinc/21/37/60/571213760.db2.gz KPFSYXBAVRQMRX-UHFFFAOYSA-N 2 2 350.491 3.845 40 0 FHABLP C[NH+]1CCN(c2c3ccccc3nc(Cl)c2C[NH2+]Cc2ccco2)CC1 ZINC000005017430 536417453 /nfs/dbraw/zinc/41/74/53/536417453.db2.gz OBBQFXLLAQGGHL-UHFFFAOYSA-N 2 2 370.884 3.523 40 0 FHABLP Fc1ccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000096062402 570475154 /nfs/dbraw/zinc/47/51/54/570475154.db2.gz WQPRAKNFAVDELK-HXUWFJFHSA-N 2 2 360.498 3.612 40 0 FHABLP Fc1ccc(C[N@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000096062402 570475156 /nfs/dbraw/zinc/47/51/56/570475156.db2.gz WQPRAKNFAVDELK-HXUWFJFHSA-N 2 2 360.498 3.612 40 0 FHABLP Fc1ccc(C[NH+]2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062402 570475158 /nfs/dbraw/zinc/47/51/58/570475158.db2.gz WQPRAKNFAVDELK-HXUWFJFHSA-N 2 2 360.498 3.612 40 0 FHABLP Fc1ccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062402 570475161 /nfs/dbraw/zinc/47/51/61/570475161.db2.gz WQPRAKNFAVDELK-HXUWFJFHSA-N 2 2 360.498 3.612 40 0 FHABLP Cc1nc(C[NH+]2CCC3(CC2)CC[NH+](Cc2nccs2)CC3)cs1 ZINC000096100635 570475532 /nfs/dbraw/zinc/47/55/32/570475532.db2.gz DCTIGIJDKYOKGQ-UHFFFAOYSA-N 2 2 362.568 3.786 40 0 FHABLP CCn1ccnc1C[N@@H+]1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019578154 570894762 /nfs/dbraw/zinc/89/47/62/570894762.db2.gz KVCXOWUYMVOHDD-UHFFFAOYSA-N 2 2 368.525 3.541 40 0 FHABLP CCn1ccnc1C[N@H+]1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019578154 570894769 /nfs/dbraw/zinc/89/47/69/570894769.db2.gz KVCXOWUYMVOHDD-UHFFFAOYSA-N 2 2 368.525 3.541 40 0 FHABLP COc1ccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306134157 571039219 /nfs/dbraw/zinc/03/92/19/571039219.db2.gz NEULACFYEOXMDG-PMACEKPBSA-N 2 2 359.473 3.863 40 0 FHABLP COc1ccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306134157 571039223 /nfs/dbraw/zinc/03/92/23/571039223.db2.gz NEULACFYEOXMDG-PMACEKPBSA-N 2 2 359.473 3.863 40 0 FHABLP Cn1c(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)nc2ccccc21 ZINC000036753024 571081837 /nfs/dbraw/zinc/08/18/37/571081837.db2.gz PJSVDKMZZISKCI-INIZCTEOSA-N 2 2 359.477 3.904 40 0 FHABLP Cn1c(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)nc2ccccc21 ZINC000036753024 571081839 /nfs/dbraw/zinc/08/18/39/571081839.db2.gz PJSVDKMZZISKCI-INIZCTEOSA-N 2 2 359.477 3.904 40 0 FHABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350507 571181809 /nfs/dbraw/zinc/18/18/09/571181809.db2.gz KILBUPKPLHTYPZ-KRWDZBQOSA-N 2 2 365.456 3.743 40 0 FHABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072350507 571181810 /nfs/dbraw/zinc/18/18/10/571181810.db2.gz KILBUPKPLHTYPZ-KRWDZBQOSA-N 2 2 365.456 3.743 40 0 FHABLP Fc1ccc(C[N@@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000096062403 570475270 /nfs/dbraw/zinc/47/52/70/570475270.db2.gz WQPRAKNFAVDELK-FQEVSTJZSA-N 2 2 360.498 3.612 40 0 FHABLP Fc1ccc(C[N@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000096062403 570475279 /nfs/dbraw/zinc/47/52/79/570475279.db2.gz WQPRAKNFAVDELK-FQEVSTJZSA-N 2 2 360.498 3.612 40 0 FHABLP Fc1ccc(C[NH+]2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062403 570475282 /nfs/dbraw/zinc/47/52/82/570475282.db2.gz WQPRAKNFAVDELK-FQEVSTJZSA-N 2 2 360.498 3.612 40 0 FHABLP Fc1ccc(C[NH+]2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062403 570475286 /nfs/dbraw/zinc/47/52/86/570475286.db2.gz WQPRAKNFAVDELK-FQEVSTJZSA-N 2 2 360.498 3.612 40 0 FHABLP Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc[nH+]1 ZINC000072357461 570542664 /nfs/dbraw/zinc/54/26/64/570542664.db2.gz QMCXMSTYYGFBRX-IBGZPJMESA-N 2 2 361.493 3.866 40 0 FHABLP Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc[nH+]1 ZINC000072357461 570542665 /nfs/dbraw/zinc/54/26/65/570542665.db2.gz QMCXMSTYYGFBRX-IBGZPJMESA-N 2 2 361.493 3.866 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2C3)cc1 ZINC000306138487 571040780 /nfs/dbraw/zinc/04/07/80/571040780.db2.gz RYSZQEBCAVUKDB-ZWKOTPCHSA-N 2 2 365.502 3.925 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccsc4)C[C@@H]2C3)cc1 ZINC000306138487 571040784 /nfs/dbraw/zinc/04/07/84/571040784.db2.gz RYSZQEBCAVUKDB-ZWKOTPCHSA-N 2 2 365.502 3.925 40 0 FHABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350506 571181635 /nfs/dbraw/zinc/18/16/35/571181635.db2.gz KILBUPKPLHTYPZ-QGZVFWFLSA-N 2 2 365.456 3.743 40 0 FHABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072350506 571181638 /nfs/dbraw/zinc/18/16/38/571181638.db2.gz KILBUPKPLHTYPZ-QGZVFWFLSA-N 2 2 365.456 3.743 40 0 FHABLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)n2)C3)cc1 ZINC000096216131 209135628 /nfs/dbraw/zinc/13/56/28/209135628.db2.gz AVXBVSFSBGYLSI-QHCPKHFHSA-N 2 2 365.521 3.887 40 0 FHABLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)n2)C3)cc1 ZINC000096216131 209135630 /nfs/dbraw/zinc/13/56/30/209135630.db2.gz AVXBVSFSBGYLSI-QHCPKHFHSA-N 2 2 365.521 3.887 40 0 FHABLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216131 209135632 /nfs/dbraw/zinc/13/56/32/209135632.db2.gz AVXBVSFSBGYLSI-QHCPKHFHSA-N 2 2 365.521 3.887 40 0 FHABLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216131 209135634 /nfs/dbraw/zinc/13/56/34/209135634.db2.gz AVXBVSFSBGYLSI-QHCPKHFHSA-N 2 2 365.521 3.887 40 0 FHABLP COc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)c(C)c1C ZINC000012407694 207372571 /nfs/dbraw/zinc/37/25/71/207372571.db2.gz HDLGSJIMOLOHNW-FQEVSTJZSA-N 2 2 354.494 3.637 40 0 FHABLP COc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)c(C)c1C ZINC000012407694 207372576 /nfs/dbraw/zinc/37/25/76/207372576.db2.gz HDLGSJIMOLOHNW-FQEVSTJZSA-N 2 2 354.494 3.637 40 0 FHABLP Fc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096051153 209102378 /nfs/dbraw/zinc/10/23/78/209102378.db2.gz BYYHAUHQAKUCIF-IBGZPJMESA-N 2 2 361.411 3.958 40 0 FHABLP Fc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096051153 209102380 /nfs/dbraw/zinc/10/23/80/209102380.db2.gz BYYHAUHQAKUCIF-IBGZPJMESA-N 2 2 361.411 3.958 40 0 FHABLP C[N@@H+]1CCc2nc([C@H]3CCCC[NH+]3Cc3ccccc3Cl)ncc2C1 ZINC000019590349 570895658 /nfs/dbraw/zinc/89/56/58/570895658.db2.gz QYYRBQWKPSLHOL-LJQANCHMSA-N 2 2 356.901 3.845 40 0 FHABLP C[N@H+]1CCc2nc([C@H]3CCCC[NH+]3Cc3ccccc3Cl)ncc2C1 ZINC000019590349 570895662 /nfs/dbraw/zinc/89/56/62/570895662.db2.gz QYYRBQWKPSLHOL-LJQANCHMSA-N 2 2 356.901 3.845 40 0 FHABLP C[NH+]1CCc2nc([C@H]3CCCC[N@@H+]3Cc3ccccc3Cl)ncc2C1 ZINC000019590349 570895666 /nfs/dbraw/zinc/89/56/66/570895666.db2.gz QYYRBQWKPSLHOL-LJQANCHMSA-N 2 2 356.901 3.845 40 0 FHABLP C[NH+]1CCc2nc([C@H]3CCCC[N@H+]3Cc3ccccc3Cl)ncc2C1 ZINC000019590349 570895668 /nfs/dbraw/zinc/89/56/68/570895668.db2.gz QYYRBQWKPSLHOL-LJQANCHMSA-N 2 2 356.901 3.845 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306144883 571042965 /nfs/dbraw/zinc/04/29/65/571042965.db2.gz ZRJCNLGZPILAHR-RTBURBONSA-N 2 2 374.488 3.566 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306144883 571042968 /nfs/dbraw/zinc/04/29/68/571042968.db2.gz ZRJCNLGZPILAHR-RTBURBONSA-N 2 2 374.488 3.566 40 0 FHABLP COc1cc2c(cc1OC)C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000057523201 571122191 /nfs/dbraw/zinc/12/21/91/571122191.db2.gz BPEBDHKSWQJONU-UHFFFAOYSA-N 2 2 366.505 3.727 40 0 FHABLP Cc1[nH+]cc(-c2cccc([C@@H]3CCC[N@H+](Cc4cscn4)C3)n2)n1C ZINC000257267800 571156138 /nfs/dbraw/zinc/15/61/38/571156138.db2.gz MITXRMNTFXRXJE-OAHLLOKOSA-N 2 2 353.495 3.627 40 0 FHABLP Cc1[nH+]cc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cscn4)C3)n2)n1C ZINC000257267800 571156139 /nfs/dbraw/zinc/15/61/39/571156139.db2.gz MITXRMNTFXRXJE-OAHLLOKOSA-N 2 2 353.495 3.627 40 0 FHABLP Cc1cc(CC2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc[nH+]1 ZINC000257327917 210000615 /nfs/dbraw/zinc/00/06/15/210000615.db2.gz XDJFFHQBMUOVMH-UHFFFAOYSA-N 2 2 351.494 3.547 40 0 FHABLP Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216278 209136062 /nfs/dbraw/zinc/13/60/62/209136062.db2.gz DYSNMLCHGORSGO-JOCHJYFZSA-N 2 2 369.509 3.658 40 0 FHABLP Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216278 209136064 /nfs/dbraw/zinc/13/60/64/209136064.db2.gz DYSNMLCHGORSGO-JOCHJYFZSA-N 2 2 369.509 3.658 40 0 FHABLP Cc1noc(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216278 209136066 /nfs/dbraw/zinc/13/60/66/209136066.db2.gz DYSNMLCHGORSGO-JOCHJYFZSA-N 2 2 369.509 3.658 40 0 FHABLP Cc1noc(C)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216278 209136068 /nfs/dbraw/zinc/13/60/68/209136068.db2.gz DYSNMLCHGORSGO-JOCHJYFZSA-N 2 2 369.509 3.658 40 0 FHABLP COc1ccccc1CN(Cc1c[nH+]cn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116739 207339600 /nfs/dbraw/zinc/33/96/00/207339600.db2.gz STOLTVSEPPFRPH-UHFFFAOYSA-N 2 2 370.541 3.740 40 0 FHABLP O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044932400 208321608 /nfs/dbraw/zinc/32/16/08/208321608.db2.gz LIXGCYSWKRHLJR-UHFFFAOYSA-N 2 2 374.488 3.788 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2cccc(F)c2)Cc2ccccc21 ZINC000306137565 571040436 /nfs/dbraw/zinc/04/04/36/571040436.db2.gz QZZHRJLEPFRTOR-NRFANRHFSA-N 2 2 365.452 3.816 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2cccc(F)c2)Cc2ccccc21 ZINC000306137565 571040440 /nfs/dbraw/zinc/04/04/40/571040440.db2.gz QZZHRJLEPFRTOR-NRFANRHFSA-N 2 2 365.452 3.816 40 0 FHABLP Cc1[nH+]cc(-c2cccc([C@H]3CCC[N@H+](Cc4cscn4)C3)n2)n1C ZINC000257267799 571156129 /nfs/dbraw/zinc/15/61/29/571156129.db2.gz MITXRMNTFXRXJE-HNNXBMFYSA-N 2 2 353.495 3.627 40 0 FHABLP Cc1[nH+]cc(-c2cccc([C@H]3CCC[N@@H+](Cc4cscn4)C3)n2)n1C ZINC000257267799 571156131 /nfs/dbraw/zinc/15/61/31/571156131.db2.gz MITXRMNTFXRXJE-HNNXBMFYSA-N 2 2 353.495 3.627 40 0 FHABLP Cc1ncsc1C[N@H+]1Cc2c(nc(C)n2C(C)C)C2(CC[NH+](C)CC2)C1 ZINC000306123897 571213215 /nfs/dbraw/zinc/21/32/15/571213215.db2.gz AZYHUCFAOAEZNG-UHFFFAOYSA-N 2 2 373.570 3.517 40 0 FHABLP Cc1ncsc1C[N@@H+]1Cc2c(nc(C)n2C(C)C)C2(CC[NH+](C)CC2)C1 ZINC000306123897 571213218 /nfs/dbraw/zinc/21/32/18/571213218.db2.gz AZYHUCFAOAEZNG-UHFFFAOYSA-N 2 2 373.570 3.517 40 0 FHABLP Cc1cc2[nH]c(C3CC[NH+](CC(=O)Nc4ccccc4)CC3)[nH+]c2cc1C ZINC000035311821 207130611 /nfs/dbraw/zinc/13/06/11/207130611.db2.gz HRMATUXWZXQEIY-UHFFFAOYSA-N 2 2 362.477 3.998 40 0 FHABLP COc1ccc(C[N@H+]2Cc3ccccc3O[C@H](C[NH+](C)C)C2)c(C)c1C ZINC000012407693 207372010 /nfs/dbraw/zinc/37/20/10/207372010.db2.gz HDLGSJIMOLOHNW-HXUWFJFHSA-N 2 2 354.494 3.637 40 0 FHABLP COc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](C[NH+](C)C)C2)c(C)c1C ZINC000012407693 207372016 /nfs/dbraw/zinc/37/20/16/207372016.db2.gz HDLGSJIMOLOHNW-HXUWFJFHSA-N 2 2 354.494 3.637 40 0 FHABLP Cc1[nH+]c2cc(NC(=O)CC[NH+]3CCOCC3)ccc2n1C1CCCCC1 ZINC000019717464 570900426 /nfs/dbraw/zinc/90/04/26/570900426.db2.gz MUBQSRZKDLPJTE-UHFFFAOYSA-N 2 2 370.497 3.511 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccs4)C[C@@H]2C3)cc1 ZINC000306135168 571038936 /nfs/dbraw/zinc/03/89/36/571038936.db2.gz OJSVPQZBCAVOEE-DLBZAZTESA-N 2 2 365.502 3.925 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccs4)C[C@@H]2C3)cc1 ZINC000306135168 571038938 /nfs/dbraw/zinc/03/89/38/571038938.db2.gz OJSVPQZBCAVOEE-DLBZAZTESA-N 2 2 365.502 3.925 40 0 FHABLP Fc1ccc(OCC[N@@H+]2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378805 571187394 /nfs/dbraw/zinc/18/73/94/571187394.db2.gz RCMFNLKINOSOFM-KRWDZBQOSA-N 2 2 366.440 3.665 40 0 FHABLP Fc1ccc(OCC[N@H+]2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378805 571187396 /nfs/dbraw/zinc/18/73/96/571187396.db2.gz RCMFNLKINOSOFM-KRWDZBQOSA-N 2 2 366.440 3.665 40 0 FHABLP Cc1ncsc1C[N@H+]1Cc2cccn2C[C@@H](CCNc2cccc[nH+]2)C1 ZINC000585095063 571219837 /nfs/dbraw/zinc/21/98/37/571219837.db2.gz CKCAUVRHKAUTPM-KRWDZBQOSA-N 2 2 367.522 3.782 40 0 FHABLP Cc1ncsc1C[N@@H+]1Cc2cccn2C[C@@H](CCNc2cccc[nH+]2)C1 ZINC000585095063 571219840 /nfs/dbraw/zinc/21/98/40/571219840.db2.gz CKCAUVRHKAUTPM-KRWDZBQOSA-N 2 2 367.522 3.782 40 0 FHABLP Cc1[nH+]cc(-c2cccc(C3CC[NH+](Cc4cncs4)CC3)n2)n1C ZINC000257339297 210001779 /nfs/dbraw/zinc/00/17/79/210001779.db2.gz ZBCWBSMBAKXMOC-UHFFFAOYSA-N 2 2 353.495 3.627 40 0 FHABLP C[NH+](C)CCCNc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000243783085 209366442 /nfs/dbraw/zinc/36/64/42/209366442.db2.gz QGKBVFHKHRPUTL-UHFFFAOYSA-N 2 2 362.481 3.514 40 0 FHABLP Cn1c[nH+]cc1C[NH+]1CCC2(CN(c3cccnc3)c3ccccc32)CC1 ZINC000096241293 209143106 /nfs/dbraw/zinc/14/31/06/209143106.db2.gz HSGNIAPCPBGJPM-UHFFFAOYSA-N 2 2 359.477 3.501 40 0 FHABLP Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216275 209136473 /nfs/dbraw/zinc/13/64/73/209136473.db2.gz DYSNMLCHGORSGO-QFIPXVFZSA-N 2 2 369.509 3.658 40 0 FHABLP Cc1noc(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216275 209136475 /nfs/dbraw/zinc/13/64/75/209136475.db2.gz DYSNMLCHGORSGO-QFIPXVFZSA-N 2 2 369.509 3.658 40 0 FHABLP Cc1noc(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216275 209136476 /nfs/dbraw/zinc/13/64/76/209136476.db2.gz DYSNMLCHGORSGO-QFIPXVFZSA-N 2 2 369.509 3.658 40 0 FHABLP Cc1noc(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216275 209136477 /nfs/dbraw/zinc/13/64/77/209136477.db2.gz DYSNMLCHGORSGO-QFIPXVFZSA-N 2 2 369.509 3.658 40 0 FHABLP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccccc1Cl ZINC000008373902 207230980 /nfs/dbraw/zinc/23/09/80/207230980.db2.gz CRXVSTXZKILNTH-UHFFFAOYSA-N 2 2 362.901 3.969 40 0 FHABLP COCCC[N@H+](CC1(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000036743639 208172706 /nfs/dbraw/zinc/17/27/06/208172706.db2.gz LRNVOTJGFDZIAF-UHFFFAOYSA-N 2 2 350.934 3.804 40 0 FHABLP COCCC[N@@H+](CC1(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000036743639 208172710 /nfs/dbraw/zinc/17/27/10/208172710.db2.gz LRNVOTJGFDZIAF-UHFFFAOYSA-N 2 2 350.934 3.804 40 0 FHABLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)cc1 ZINC000096046952 209099860 /nfs/dbraw/zinc/09/98/60/209099860.db2.gz NJAOWTPPKYPKKH-JOCHJYFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)cc1 ZINC000096046952 209099864 /nfs/dbraw/zinc/09/98/64/209099864.db2.gz NJAOWTPPKYPKKH-JOCHJYFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)cc1 ZINC000096046952 209099867 /nfs/dbraw/zinc/09/98/67/209099867.db2.gz NJAOWTPPKYPKKH-JOCHJYFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cc1 ZINC000096046952 209099870 /nfs/dbraw/zinc/09/98/70/209099870.db2.gz NJAOWTPPKYPKKH-JOCHJYFZSA-N 2 2 351.494 3.578 40 0 FHABLP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000019287994 570884525 /nfs/dbraw/zinc/88/45/25/570884525.db2.gz ROVDQFLFQMPCJP-UHFFFAOYSA-N 2 2 354.281 3.525 40 0 FHABLP COc1ccc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306134158 571039003 /nfs/dbraw/zinc/03/90/03/571039003.db2.gz NEULACFYEOXMDG-UXHICEINSA-N 2 2 359.473 3.863 40 0 FHABLP COc1ccc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306134158 571039005 /nfs/dbraw/zinc/03/90/05/571039005.db2.gz NEULACFYEOXMDG-UXHICEINSA-N 2 2 359.473 3.863 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306144881 571043055 /nfs/dbraw/zinc/04/30/55/571043055.db2.gz ZRJCNLGZPILAHR-OALUTQOASA-N 2 2 374.488 3.566 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306144881 571043056 /nfs/dbraw/zinc/04/30/56/571043056.db2.gz ZRJCNLGZPILAHR-OALUTQOASA-N 2 2 374.488 3.566 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2cccs2)Cc2ccccc21 ZINC000306123493 571212780 /nfs/dbraw/zinc/21/27/80/571212780.db2.gz AOWKTXYAYJEAJL-IBGZPJMESA-N 2 2 353.491 3.739 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2cccs2)Cc2ccccc21 ZINC000306123493 571212782 /nfs/dbraw/zinc/21/27/82/571212782.db2.gz AOWKTXYAYJEAJL-IBGZPJMESA-N 2 2 353.491 3.739 40 0 FHABLP Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccccc1F)CC21CC[NH+](C)CC1 ZINC000306127066 571213578 /nfs/dbraw/zinc/21/35/78/571213578.db2.gz FNQXIANJUPJBQO-UHFFFAOYSA-N 2 2 370.516 3.891 40 0 FHABLP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccccc1F)CC21CC[NH+](C)CC1 ZINC000306127066 571213580 /nfs/dbraw/zinc/21/35/80/571213580.db2.gz FNQXIANJUPJBQO-UHFFFAOYSA-N 2 2 370.516 3.891 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2ccccc2F)Cc2ccccc21 ZINC000306131811 571213929 /nfs/dbraw/zinc/21/39/29/571213929.db2.gz KQCPPJIOQOUHKE-HXUWFJFHSA-N 2 2 365.452 3.816 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2ccccc2F)Cc2ccccc21 ZINC000306131811 571213930 /nfs/dbraw/zinc/21/39/30/571213930.db2.gz KQCPPJIOQOUHKE-HXUWFJFHSA-N 2 2 365.452 3.816 40 0 FHABLP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCCCC[C@H]43)c2)nc1 ZINC000019712064 571304717 /nfs/dbraw/zinc/30/47/17/571304717.db2.gz CDLOSLBXNGKYJS-FCHUYYIVSA-N 2 2 351.494 3.767 40 0 FHABLP c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCCCC[C@H]43)c2)nc1 ZINC000019712064 571304718 /nfs/dbraw/zinc/30/47/18/571304718.db2.gz CDLOSLBXNGKYJS-FCHUYYIVSA-N 2 2 351.494 3.767 40 0 FHABLP COc1ccc(C[NH+]2CCC3(CC2)c2cc(OC)ccc2CC[N@H+]3C)cc1 ZINC000096100216 209112014 /nfs/dbraw/zinc/11/20/14/209112014.db2.gz QGDFPBNJATXFID-UHFFFAOYSA-N 2 2 366.505 3.683 40 0 FHABLP COc1ccc(C[NH+]2CCC3(CC2)c2cc(OC)ccc2CC[N@@H+]3C)cc1 ZINC000096100216 209112017 /nfs/dbraw/zinc/11/20/17/209112017.db2.gz QGDFPBNJATXFID-UHFFFAOYSA-N 2 2 366.505 3.683 40 0 FHABLP c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCCCC4)n3)cn2)c[nH+]1 ZINC000035425737 207164241 /nfs/dbraw/zinc/16/42/41/207164241.db2.gz ABQVCZYYENUVRP-KRWDZBQOSA-N 2 2 364.453 3.787 40 0 biogenic,in-vitro FHABLP c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCCCC4)n3)cn2)c[nH+]1 ZINC000035425737 207164247 /nfs/dbraw/zinc/16/42/47/207164247.db2.gz ABQVCZYYENUVRP-KRWDZBQOSA-N 2 2 364.453 3.787 40 0 biogenic,in-vitro FHABLP COc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)cc1C[NH+]1CCOCC1 ZINC000012241060 207351847 /nfs/dbraw/zinc/35/18/47/207351847.db2.gz GXNNYJUIGJTLDU-MRXNPFEDSA-N 2 2 372.534 3.708 40 0 FHABLP COc1ccc(C[N@H+]2CCc3sccc3[C@H]2C)cc1C[NH+]1CCOCC1 ZINC000012241060 207351854 /nfs/dbraw/zinc/35/18/54/207351854.db2.gz GXNNYJUIGJTLDU-MRXNPFEDSA-N 2 2 372.534 3.708 40 0 FHABLP Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)s1 ZINC000096058344 209105121 /nfs/dbraw/zinc/10/51/21/209105121.db2.gz XXBYRFJDOWRXHA-ACRUOGEOSA-N 2 2 354.519 3.659 40 0 FHABLP Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)s1 ZINC000096058344 209105119 /nfs/dbraw/zinc/10/51/19/209105119.db2.gz XXBYRFJDOWRXHA-ACRUOGEOSA-N 2 2 354.519 3.659 40 0 FHABLP COc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096051156 209103279 /nfs/dbraw/zinc/10/32/79/209103279.db2.gz MDDAPVNHNAKFCS-FQEVSTJZSA-N 2 2 373.447 3.828 40 0 FHABLP COc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096051156 209103282 /nfs/dbraw/zinc/10/32/82/209103282.db2.gz MDDAPVNHNAKFCS-FQEVSTJZSA-N 2 2 373.447 3.828 40 0 FHABLP CCc1[nH+]ccn1C[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)C)n2C ZINC000019523595 570891188 /nfs/dbraw/zinc/89/11/88/570891188.db2.gz WIUCKFQIWWKACU-CQSZACIVSA-N 2 2 353.470 3.730 40 0 FHABLP Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329002873 571106840 /nfs/dbraw/zinc/10/68/40/571106840.db2.gz KKJOQSQMSKYMHX-UHFFFAOYSA-N 2 2 373.932 3.575 40 0 FHABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350560 571181781 /nfs/dbraw/zinc/18/17/81/571181781.db2.gz XQBQJKHNSNICIS-SFHVURJKSA-N 2 2 362.481 3.560 40 0 FHABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350560 571181782 /nfs/dbraw/zinc/18/17/82/571181782.db2.gz XQBQJKHNSNICIS-SFHVURJKSA-N 2 2 362.481 3.560 40 0 FHABLP Cc1ccc(C[NH+]2CC3(C2)CC[C@H](C[N@@H+](C)Cc2cccnc2)CO3)s1 ZINC000585105341 571223679 /nfs/dbraw/zinc/22/36/79/571223679.db2.gz UKDQCYOGZVLIJH-LJQANCHMSA-N 2 2 371.550 3.565 40 0 FHABLP Cc1ccc(C[NH+]2CC3(C2)CC[C@H](C[N@H+](C)Cc2cccnc2)CO3)s1 ZINC000585105341 571223681 /nfs/dbraw/zinc/22/36/81/571223681.db2.gz UKDQCYOGZVLIJH-LJQANCHMSA-N 2 2 371.550 3.565 40 0 FHABLP CNc1cc(CC2CC[NH+](Cc3ccnc4ccccc34)CC2)[nH+]c(C)n1 ZINC000019758390 571304905 /nfs/dbraw/zinc/30/49/05/571304905.db2.gz MIFFFWKDIPXXPH-UHFFFAOYSA-N 2 2 361.493 3.830 40 0 FHABLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1nnnn1-c1c(C)cccc1C)C(C)C ZINC000255188781 209949248 /nfs/dbraw/zinc/94/92/48/209949248.db2.gz LOMZMUNJURXOMN-RTBURBONSA-N 2 2 372.561 3.686 40 0 FHABLP Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096239611 209141992 /nfs/dbraw/zinc/14/19/92/209141992.db2.gz FATVPHHEOZMEKI-IBGZPJMESA-N 2 2 358.436 3.523 40 0 FHABLP Cc1cccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096239611 209141993 /nfs/dbraw/zinc/14/19/93/209141993.db2.gz FATVPHHEOZMEKI-IBGZPJMESA-N 2 2 358.436 3.523 40 0 FHABLP COc1c(C)cccc1C[N@@H+]1CCc2nc([C@H]3CCCC[NH+]3C)ncc2C1 ZINC000019236000 570883514 /nfs/dbraw/zinc/88/35/14/570883514.db2.gz NWHOCCVNLVZFHN-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[N@H+]1CCc2nc([C@H]3CCCC[NH+]3C)ncc2C1 ZINC000019236000 570883515 /nfs/dbraw/zinc/88/35/15/570883515.db2.gz NWHOCCVNLVZFHN-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[NH+]1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019236000 570883519 /nfs/dbraw/zinc/88/35/19/570883519.db2.gz NWHOCCVNLVZFHN-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[NH+]1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019236000 570883520 /nfs/dbraw/zinc/88/35/20/570883520.db2.gz NWHOCCVNLVZFHN-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019287966 570884830 /nfs/dbraw/zinc/88/48/30/570884830.db2.gz ZIASHCAMWMZEDH-UHFFFAOYSA-N 2 2 354.281 3.525 40 0 FHABLP COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000019364694 570887605 /nfs/dbraw/zinc/88/76/05/570887605.db2.gz XZCBNFPCVYRZNI-IIBYNOLFSA-N 2 2 368.525 3.508 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2cccc(F)c2)Cc2ccccc21 ZINC000306137566 571039934 /nfs/dbraw/zinc/03/99/34/571039934.db2.gz QZZHRJLEPFRTOR-OAQYLSRUSA-N 2 2 365.452 3.816 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2cccc(F)c2)Cc2ccccc21 ZINC000306137566 571039936 /nfs/dbraw/zinc/03/99/36/571039936.db2.gz QZZHRJLEPFRTOR-OAQYLSRUSA-N 2 2 365.452 3.816 40 0 FHABLP CCc1[nH+]ccn1-c1cc[nH+]c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000257302825 571159834 /nfs/dbraw/zinc/15/98/34/571159834.db2.gz SEQJYHHNCFODLO-OAHLLOKOSA-N 2 2 356.470 3.944 40 0 FHABLP CCc1[nH+]ccn1-c1nccnc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072350505 571181661 /nfs/dbraw/zinc/18/16/61/571181661.db2.gz FAPMEODZERTBNO-UHFFFAOYSA-N 2 2 365.456 3.743 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072378652 571186873 /nfs/dbraw/zinc/18/68/73/571186873.db2.gz KYHPDROFQFDTAP-GOSISDBHSA-N 2 2 351.429 3.701 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072378652 571186875 /nfs/dbraw/zinc/18/68/75/571186875.db2.gz KYHPDROFQFDTAP-GOSISDBHSA-N 2 2 351.429 3.701 40 0 FHABLP [NH3+][C@@H](c1ccc(Br)cc1)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000034256742 208101794 /nfs/dbraw/zinc/10/17/94/208101794.db2.gz XURRKKYAGFWNPT-KBPBESRZSA-N 2 2 370.088 3.911 40 0 FHABLP CCn1nc(C)c(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)c1C ZINC000043277855 208304340 /nfs/dbraw/zinc/30/43/40/208304340.db2.gz FMWVFNOGFNILCX-UHFFFAOYSA-N 2 2 369.488 3.948 40 0 FHABLP CCn1nc(C)c(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)c1C ZINC000043277855 208304345 /nfs/dbraw/zinc/30/43/45/208304345.db2.gz FMWVFNOGFNILCX-UHFFFAOYSA-N 2 2 369.488 3.948 40 0 FHABLP COc1c(C)cccc1C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019235986 570883054 /nfs/dbraw/zinc/88/30/54/570883054.db2.gz PLHKEGCMEHVSMV-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019235986 570883057 /nfs/dbraw/zinc/88/30/57/570883057.db2.gz PLHKEGCMEHVSMV-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019235986 570883058 /nfs/dbraw/zinc/88/30/58/570883058.db2.gz PLHKEGCMEHVSMV-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019235986 570883061 /nfs/dbraw/zinc/88/30/61/570883061.db2.gz PLHKEGCMEHVSMV-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP CC[NH+](CC)C[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C1 ZINC000019526358 570891643 /nfs/dbraw/zinc/89/16/43/570891643.db2.gz FOKXDCIFGHLSLW-GOSISDBHSA-N 2 2 368.525 3.706 40 0 FHABLP CC[NH+](CC)C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C1 ZINC000019526358 570891646 /nfs/dbraw/zinc/89/16/46/570891646.db2.gz FOKXDCIFGHLSLW-GOSISDBHSA-N 2 2 368.525 3.706 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2ccsc2)Cc2ccccc21 ZINC000306142719 571042486 /nfs/dbraw/zinc/04/24/86/571042486.db2.gz XHJAEQKUVRQRFY-IBGZPJMESA-N 2 2 353.491 3.739 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccccc21 ZINC000306142719 571042490 /nfs/dbraw/zinc/04/24/90/571042490.db2.gz XHJAEQKUVRQRFY-IBGZPJMESA-N 2 2 353.491 3.739 40 0 FHABLP Cc1ccc(C[N@@H+](CCC[NH+](C)C)Cc2c[nH]nc2-c2cccs2)o1 ZINC000057810845 571122927 /nfs/dbraw/zinc/12/29/27/571122927.db2.gz YOFXXLIYQCBRDC-UHFFFAOYSA-N 2 2 358.511 3.994 40 0 FHABLP Cc1ccc(C[N@H+](CCC[NH+](C)C)Cc2c[nH]nc2-c2cccs2)o1 ZINC000057810845 571122928 /nfs/dbraw/zinc/12/29/28/571122928.db2.gz YOFXXLIYQCBRDC-UHFFFAOYSA-N 2 2 358.511 3.994 40 0 FHABLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372473 571185409 /nfs/dbraw/zinc/18/54/09/571185409.db2.gz SPTRUJUBIPRDGK-IBGZPJMESA-N 2 2 367.497 3.534 40 0 FHABLP CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372473 571185410 /nfs/dbraw/zinc/18/54/10/571185410.db2.gz SPTRUJUBIPRDGK-IBGZPJMESA-N 2 2 367.497 3.534 40 0 FHABLP Fc1ccc(OCC[N@@H+]2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378804 571187423 /nfs/dbraw/zinc/18/74/23/571187423.db2.gz RCMFNLKINOSOFM-QGZVFWFLSA-N 2 2 366.440 3.665 40 0 FHABLP Fc1ccc(OCC[N@H+]2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378804 571187424 /nfs/dbraw/zinc/18/74/24/571187424.db2.gz RCMFNLKINOSOFM-QGZVFWFLSA-N 2 2 366.440 3.665 40 0 FHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3ccccc3OC)n(C)n2)CC1 ZINC000100687706 209215990 /nfs/dbraw/zinc/21/59/90/209215990.db2.gz XKKBWNQHNUYXCZ-HDICACEKSA-N 2 2 370.541 3.554 40 0 FHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3ccccc3OC)n(C)n2)CC1 ZINC000100687706 209215988 /nfs/dbraw/zinc/21/59/88/209215988.db2.gz XKKBWNQHNUYXCZ-HDICACEKSA-N 2 2 370.541 3.554 40 0 FHABLP COc1cccc(-c2cccc3c([C@H]4C[N@H+](CC5CC5)CCO4)[nH+]cn32)c1 ZINC000096155873 209125596 /nfs/dbraw/zinc/12/55/96/209125596.db2.gz WAPVAEHEDLGCJP-OAQYLSRUSA-N 2 2 363.461 3.793 40 0 FHABLP COc1cccc(-c2cccc3c([C@H]4C[N@@H+](CC5CC5)CCO4)[nH+]cn32)c1 ZINC000096155873 209125599 /nfs/dbraw/zinc/12/55/99/209125599.db2.gz WAPVAEHEDLGCJP-OAQYLSRUSA-N 2 2 363.461 3.793 40 0 FHABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350570 208837654 /nfs/dbraw/zinc/83/76/54/208837654.db2.gz JJNUQKMQKMDWHM-KRWDZBQOSA-N 2 2 362.481 3.560 40 0 FHABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350570 208837656 /nfs/dbraw/zinc/83/76/56/208837656.db2.gz JJNUQKMQKMDWHM-KRWDZBQOSA-N 2 2 362.481 3.560 40 0 FHABLP CNc1ncccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019592055 570895795 /nfs/dbraw/zinc/89/57/95/570895795.db2.gz CHPVJAZOBIKPSJ-NJDAHSKKSA-N 2 2 350.510 3.624 40 0 FHABLP CNc1ncccc1C[N@H+]1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019592055 570895796 /nfs/dbraw/zinc/89/57/96/570895796.db2.gz CHPVJAZOBIKPSJ-NJDAHSKKSA-N 2 2 350.510 3.624 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2ccccc2F)Cc2ccccc21 ZINC000306131810 571213780 /nfs/dbraw/zinc/21/37/80/571213780.db2.gz KQCPPJIOQOUHKE-FQEVSTJZSA-N 2 2 365.452 3.816 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2ccccc2F)Cc2ccccc21 ZINC000306131810 571213782 /nfs/dbraw/zinc/21/37/82/571213782.db2.gz KQCPPJIOQOUHKE-FQEVSTJZSA-N 2 2 365.452 3.816 40 0 FHABLP Cn1cc(C[N@@H+]2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)cn1 ZINC000019713494 571304751 /nfs/dbraw/zinc/30/47/51/571304751.db2.gz CROCDCCARVOGPN-FSSWDIPSSA-N 2 2 352.526 3.528 40 0 FHABLP Cn1cc(C[N@H+]2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)cn1 ZINC000019713494 571304752 /nfs/dbraw/zinc/30/47/52/571304752.db2.gz CROCDCCARVOGPN-FSSWDIPSSA-N 2 2 352.526 3.528 40 0 FHABLP C[NH+]1CCC([N@@H+]2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257245590 530049868 /nfs/dbraw/zinc/04/98/68/530049868.db2.gz IQFXQURFLIYICK-QGZVFWFLSA-N 2 2 357.473 3.678 40 0 FHABLP C[NH+]1CCC([N@H+]2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257245590 530049869 /nfs/dbraw/zinc/04/98/69/530049869.db2.gz IQFXQURFLIYICK-QGZVFWFLSA-N 2 2 357.473 3.678 40 0 FHABLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000001457328 210075465 /nfs/dbraw/zinc/07/54/65/210075465.db2.gz FHXJPZAYKYYQOJ-UHFFFAOYSA-N 2 2 352.478 3.902 40 0 FHABLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000001457328 210075469 /nfs/dbraw/zinc/07/54/69/210075469.db2.gz FHXJPZAYKYYQOJ-UHFFFAOYSA-N 2 2 352.478 3.902 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccsc4)C[C@H]2C3)cc1 ZINC000306138485 210055475 /nfs/dbraw/zinc/05/54/75/210055475.db2.gz RYSZQEBCAVUKDB-QZTJIDSGSA-N 2 2 365.502 3.925 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccsc4)C[C@H]2C3)cc1 ZINC000306138485 210055480 /nfs/dbraw/zinc/05/54/80/210055480.db2.gz RYSZQEBCAVUKDB-QZTJIDSGSA-N 2 2 365.502 3.925 40 0 FHABLP CN(C)c1ncccc1C[N@@H+]1CCC[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000019715722 211249624 /nfs/dbraw/zinc/24/96/24/211249624.db2.gz YODFCZRDNAFUKR-OAHLLOKOSA-N 2 2 367.472 3.618 40 0 FHABLP CN(C)c1ncccc1C[N@H+]1CCC[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000019715722 211249631 /nfs/dbraw/zinc/24/96/31/211249631.db2.gz YODFCZRDNAFUKR-OAHLLOKOSA-N 2 2 367.472 3.618 40 0 FHABLP COc1cc(C)ccc1C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019134058 211204849 /nfs/dbraw/zinc/20/48/49/211204849.db2.gz NXHWDADDGXBMCK-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1cc(C)ccc1C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019134058 211204854 /nfs/dbraw/zinc/20/48/54/211204854.db2.gz NXHWDADDGXBMCK-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1cc(C)ccc1C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019134058 211204856 /nfs/dbraw/zinc/20/48/56/211204856.db2.gz NXHWDADDGXBMCK-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1cc(C)ccc1C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019134058 211204861 /nfs/dbraw/zinc/20/48/61/211204861.db2.gz NXHWDADDGXBMCK-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccc(F)cc3)CC1)[N@@H+](C)CC2 ZINC000096100215 222022488 /nfs/dbraw/zinc/02/24/88/222022488.db2.gz LBISZZPBLGXOIN-UHFFFAOYSA-N 2 2 354.469 3.814 40 0 FHABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccc(F)cc3)CC1)[N@H+](C)CC2 ZINC000096100215 222022490 /nfs/dbraw/zinc/02/24/90/222022490.db2.gz LBISZZPBLGXOIN-UHFFFAOYSA-N 2 2 354.469 3.814 40 0 FHABLP CC1(C)Oc2ccccc2[C@H]2OCC3(CC[NH+](Cc4c[nH+]c[nH]4)CC3)C[C@@H]21 ZINC000257264379 527817220 /nfs/dbraw/zinc/81/72/20/527817220.db2.gz LUCGPTRUMPKCOR-AZUAARDMSA-N 2 2 367.493 3.941 40 0 FHABLP Cc1ccc2[nH]c(C3CC[NH+](CC(=O)Nc4ccccc4C)CC3)[nH+]c2c1 ZINC000005626063 570632024 /nfs/dbraw/zinc/63/20/24/570632024.db2.gz HJRDDUCEYSHDOG-UHFFFAOYSA-N 2 2 362.477 3.998 40 0 FHABLP Cc1ccsc1C[N@@H+](Cc1c[nH+]cn1Cc1ccccc1)C[C@H](C)O ZINC000012143704 570721472 /nfs/dbraw/zinc/72/14/72/570721472.db2.gz SVOUFNSZOJISGA-KRWDZBQOSA-N 2 2 355.507 3.684 40 0 FHABLP Cc1ccsc1C[N@H+](Cc1c[nH+]cn1Cc1ccccc1)C[C@H](C)O ZINC000012143704 570721475 /nfs/dbraw/zinc/72/14/75/570721475.db2.gz SVOUFNSZOJISGA-KRWDZBQOSA-N 2 2 355.507 3.684 40 0 FHABLP CCc1[nH+]c2cc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc2n1C ZINC000012147373 570723253 /nfs/dbraw/zinc/72/32/53/570723253.db2.gz JNIIZXXCSWABFG-UHFFFAOYSA-N 2 2 359.433 3.633 40 0 FHABLP Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000328989147 571106321 /nfs/dbraw/zinc/10/63/21/571106321.db2.gz IJDUTWPZCXTHIE-UHFFFAOYSA-N 2 2 373.932 3.575 40 0 FHABLP CC[NH+](CC)CC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2c[nH+]cn21 ZINC000248232369 571128221 /nfs/dbraw/zinc/12/82/21/571128221.db2.gz CEMXJOULJIBFDL-QGZVFWFLSA-N 2 2 366.465 3.558 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000072378689 571186974 /nfs/dbraw/zinc/18/69/74/571186974.db2.gz MIQRYWJIZQTPTN-IBGZPJMESA-N 2 2 363.465 3.570 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccc(OC)cc2)n1 ZINC000072378689 571186976 /nfs/dbraw/zinc/18/69/76/571186976.db2.gz MIQRYWJIZQTPTN-IBGZPJMESA-N 2 2 363.465 3.570 40 0 FHABLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1nnnn1-c1c(C)cccc1C)C(C)C ZINC000255188780 571321073 /nfs/dbraw/zinc/32/10/73/571321073.db2.gz LOMZMUNJURXOMN-RBUKOAKNSA-N 2 2 372.561 3.686 40 0 FHABLP C[NH+]1CCC([N@@H+]2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257245589 530049717 /nfs/dbraw/zinc/04/97/17/530049717.db2.gz IQFXQURFLIYICK-KRWDZBQOSA-N 2 2 357.473 3.678 40 0 FHABLP C[NH+]1CCC([N@H+]2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257245589 530049718 /nfs/dbraw/zinc/04/97/18/530049718.db2.gz IQFXQURFLIYICK-KRWDZBQOSA-N 2 2 357.473 3.678 40 0 FHABLP Cc1ncsc1C[N@H+]1CCC[C@@H](c2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000257206889 223018113 /nfs/dbraw/zinc/01/81/13/223018113.db2.gz BFILSKSXRUAUTI-OAHLLOKOSA-N 2 2 353.495 3.627 40 0 FHABLP Cc1ncsc1C[N@@H+]1CCC[C@@H](c2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000257206889 223018114 /nfs/dbraw/zinc/01/81/14/223018114.db2.gz BFILSKSXRUAUTI-OAHLLOKOSA-N 2 2 353.495 3.627 40 0 FHABLP Clc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)c1Cl ZINC000019292603 211213559 /nfs/dbraw/zinc/21/35/59/211213559.db2.gz YKGLZZKVLQIVQY-MCPYQZEQSA-N 2 2 369.336 3.926 40 0 FHABLP Clc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)c1Cl ZINC000019292603 211213573 /nfs/dbraw/zinc/21/35/73/211213573.db2.gz YKGLZZKVLQIVQY-MCPYQZEQSA-N 2 2 369.336 3.926 40 0 FHABLP Fc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096051154 222001680 /nfs/dbraw/zinc/00/16/80/222001680.db2.gz BYYHAUHQAKUCIF-LJQANCHMSA-N 2 2 361.411 3.958 40 0 FHABLP Fc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096051154 222001683 /nfs/dbraw/zinc/00/16/83/222001683.db2.gz BYYHAUHQAKUCIF-LJQANCHMSA-N 2 2 361.411 3.958 40 0 FHABLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)n2)C3)cc1 ZINC000096216133 222081512 /nfs/dbraw/zinc/08/15/12/222081512.db2.gz AVXBVSFSBGYLSI-HSZRJFAPSA-N 2 2 365.521 3.887 40 0 FHABLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)n2)C3)cc1 ZINC000096216133 222081515 /nfs/dbraw/zinc/08/15/15/222081515.db2.gz AVXBVSFSBGYLSI-HSZRJFAPSA-N 2 2 365.521 3.887 40 0 FHABLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216133 222081518 /nfs/dbraw/zinc/08/15/18/222081518.db2.gz AVXBVSFSBGYLSI-HSZRJFAPSA-N 2 2 365.521 3.887 40 0 FHABLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216133 222081521 /nfs/dbraw/zinc/08/15/21/222081521.db2.gz AVXBVSFSBGYLSI-HSZRJFAPSA-N 2 2 365.521 3.887 40 0 FHABLP CC(C)(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000035425767 560080691 /nfs/dbraw/zinc/08/06/91/560080691.db2.gz MPXGFVCQYMYNSL-HNNXBMFYSA-N 2 2 352.442 3.500 40 0 biogenic,in-vitro FHABLP CC(C)(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000035425767 560080692 /nfs/dbraw/zinc/08/06/92/560080692.db2.gz MPXGFVCQYMYNSL-HNNXBMFYSA-N 2 2 352.442 3.500 40 0 biogenic,in-vitro FHABLP C[C@]12CC[N@H+](Cc3cccc(Oc4ncccn4)c3)[C@H]1CCCCC[NH2+]2 ZINC000019713364 571304705 /nfs/dbraw/zinc/30/47/05/571304705.db2.gz MDOMPGQUPWDHFK-FPOVZHCZSA-N 2 2 352.482 3.766 40 0 FHABLP C[C@]12CC[N@@H+](Cc3cccc(Oc4ncccn4)c3)[C@H]1CCCCC[NH2+]2 ZINC000019713364 571304707 /nfs/dbraw/zinc/30/47/07/571304707.db2.gz MDOMPGQUPWDHFK-FPOVZHCZSA-N 2 2 352.482 3.766 40 0 FHABLP COc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)cc1 ZINC000306134160 210053388 /nfs/dbraw/zinc/05/33/88/210053388.db2.gz NEULACFYEOXMDG-WOJBJXKFSA-N 2 2 359.473 3.863 40 0 FHABLP COc1ccc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)cc1 ZINC000306134160 210053392 /nfs/dbraw/zinc/05/33/92/210053392.db2.gz NEULACFYEOXMDG-WOJBJXKFSA-N 2 2 359.473 3.863 40 0 FHABLP Cc1ccccc1C[N@H+](Cc1cnc(N)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019237145 211210320 /nfs/dbraw/zinc/21/03/20/211210320.db2.gz CYXIOTVEXWZIAE-UHFFFAOYSA-N 2 2 367.541 3.679 40 0 FHABLP Cc1ccccc1C[N@@H+](Cc1cnc(N)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019237145 211210324 /nfs/dbraw/zinc/21/03/24/211210324.db2.gz CYXIOTVEXWZIAE-UHFFFAOYSA-N 2 2 367.541 3.679 40 0 FHABLP Cc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1C ZINC000019214010 211206970 /nfs/dbraw/zinc/20/69/70/211206970.db2.gz QPNNPQDJJLPFTO-NRFANRHFSA-N 2 2 350.510 3.809 40 0 FHABLP Cc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1C ZINC000019214010 211206975 /nfs/dbraw/zinc/20/69/75/211206975.db2.gz QPNNPQDJJLPFTO-NRFANRHFSA-N 2 2 350.510 3.809 40 0 FHABLP Cc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc1C ZINC000019214010 211206978 /nfs/dbraw/zinc/20/69/78/211206978.db2.gz QPNNPQDJJLPFTO-NRFANRHFSA-N 2 2 350.510 3.809 40 0 FHABLP Cc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc1C ZINC000019214010 211206984 /nfs/dbraw/zinc/20/69/84/211206984.db2.gz QPNNPQDJJLPFTO-NRFANRHFSA-N 2 2 350.510 3.809 40 0 FHABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350545 571181654 /nfs/dbraw/zinc/18/16/54/571181654.db2.gz CZRIIIKNHOJOKC-IBGZPJMESA-N 2 2 361.493 3.647 40 0 FHABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350545 571181656 /nfs/dbraw/zinc/18/16/56/571181656.db2.gz CZRIIIKNHOJOKC-IBGZPJMESA-N 2 2 361.493 3.647 40 0 FHABLP Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)cnn1C ZINC000072353081 571181973 /nfs/dbraw/zinc/18/19/73/571181973.db2.gz NWWJANNLCYBHJW-HXUWFJFHSA-N 2 2 362.481 3.908 40 0 FHABLP Cc1c(C[N@H+]2CCC[C@@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)cnn1C ZINC000072353081 571181974 /nfs/dbraw/zinc/18/19/74/571181974.db2.gz NWWJANNLCYBHJW-HXUWFJFHSA-N 2 2 362.481 3.908 40 0 FHABLP Cc1ncsc1C[N@H+]1CCC[C@H](c2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000257206888 223018704 /nfs/dbraw/zinc/01/87/04/223018704.db2.gz BFILSKSXRUAUTI-HNNXBMFYSA-N 2 2 353.495 3.627 40 0 FHABLP Cc1ncsc1C[N@@H+]1CCC[C@H](c2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000257206888 223018707 /nfs/dbraw/zinc/01/87/07/223018707.db2.gz BFILSKSXRUAUTI-HNNXBMFYSA-N 2 2 353.495 3.627 40 0 FHABLP COc1cccc(-c2cccc3c([C@@H]4C[N@H+](CC5CC5)CCO4)[nH+]cn32)c1 ZINC000096155872 222057029 /nfs/dbraw/zinc/05/70/29/222057029.db2.gz WAPVAEHEDLGCJP-NRFANRHFSA-N 2 2 363.461 3.793 40 0 FHABLP COc1cccc(-c2cccc3c([C@@H]4C[N@@H+](CC5CC5)CCO4)[nH+]cn32)c1 ZINC000096155872 222057032 /nfs/dbraw/zinc/05/70/32/222057032.db2.gz WAPVAEHEDLGCJP-NRFANRHFSA-N 2 2 363.461 3.793 40 0 FHABLP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000096215579 222079667 /nfs/dbraw/zinc/07/96/67/222079667.db2.gz LQGVOPLUDPBNHJ-QFIPXVFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000096215579 222079671 /nfs/dbraw/zinc/07/96/71/222079671.db2.gz LQGVOPLUDPBNHJ-QFIPXVFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000096215579 222079672 /nfs/dbraw/zinc/07/96/72/222079672.db2.gz LQGVOPLUDPBNHJ-QFIPXVFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000096215579 222079676 /nfs/dbraw/zinc/07/96/76/222079676.db2.gz LQGVOPLUDPBNHJ-QFIPXVFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000096215582 222080206 /nfs/dbraw/zinc/08/02/06/222080206.db2.gz LQGVOPLUDPBNHJ-JOCHJYFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000096215582 222080208 /nfs/dbraw/zinc/08/02/08/222080208.db2.gz LQGVOPLUDPBNHJ-JOCHJYFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000096215582 222080214 /nfs/dbraw/zinc/08/02/14/222080214.db2.gz LQGVOPLUDPBNHJ-JOCHJYFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000096215582 222080219 /nfs/dbraw/zinc/08/02/19/222080219.db2.gz LQGVOPLUDPBNHJ-JOCHJYFZSA-N 2 2 351.494 3.578 40 0 FHABLP CC[NH+](CC)CCOCCC1=[NH+]C(C)(C)Cc2cc(OC)c(OC)cc21 ZINC000005453528 570627832 /nfs/dbraw/zinc/62/78/32/570627832.db2.gz YDBIDCHKMZNWFC-UHFFFAOYSA-N 2 2 362.514 3.576 40 0 FHABLP Cc1ccsc1C[N@@H+](Cc1c[nH+]cn1Cc1ccccc1)C[C@@H](C)O ZINC000012143703 570721829 /nfs/dbraw/zinc/72/18/29/570721829.db2.gz SVOUFNSZOJISGA-QGZVFWFLSA-N 2 2 355.507 3.684 40 0 FHABLP Cc1ccsc1C[N@H+](Cc1c[nH+]cn1Cc1ccccc1)C[C@@H](C)O ZINC000012143703 570721831 /nfs/dbraw/zinc/72/18/31/570721831.db2.gz SVOUFNSZOJISGA-QGZVFWFLSA-N 2 2 355.507 3.684 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378678 571186898 /nfs/dbraw/zinc/18/68/98/571186898.db2.gz DIBQYDIKLAHLMN-FQEVSTJZSA-N 2 2 361.493 3.994 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378678 571186900 /nfs/dbraw/zinc/18/69/00/571186900.db2.gz DIBQYDIKLAHLMN-FQEVSTJZSA-N 2 2 361.493 3.994 40 0 FHABLP CC[NH2+][C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703847 571304461 /nfs/dbraw/zinc/30/44/61/571304461.db2.gz URGJQFNJWCHLDZ-HXUWFJFHSA-N 2 2 352.526 3.818 40 0 FHABLP Cc1cc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)ccc1Cl ZINC000328978336 210129419 /nfs/dbraw/zinc/12/94/19/210129419.db2.gz FXTKSFGEHVHNLY-UHFFFAOYSA-N 2 2 359.905 3.845 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306144882 210059526 /nfs/dbraw/zinc/05/95/26/210059526.db2.gz ZRJCNLGZPILAHR-RBUKOAKNSA-N 2 2 374.488 3.566 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306144882 210059528 /nfs/dbraw/zinc/05/95/28/210059528.db2.gz ZRJCNLGZPILAHR-RBUKOAKNSA-N 2 2 374.488 3.566 40 0 FHABLP CCn1cc(C[N@@H+]2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)cn1 ZINC000257297064 223055489 /nfs/dbraw/zinc/05/54/89/223055489.db2.gz RFQCICFQDUOXFU-BHIFYINESA-N 2 2 352.526 3.621 40 0 FHABLP CCn1cc(C[N@H+]2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)cn1 ZINC000257297064 223055492 /nfs/dbraw/zinc/05/54/92/223055492.db2.gz RFQCICFQDUOXFU-BHIFYINESA-N 2 2 352.526 3.621 40 0 FHABLP Cc1nc(NC2CCCC2)cc(CC2CC[NH+](C3CCOCC3)CC2)[nH+]1 ZINC000019757678 211255933 /nfs/dbraw/zinc/25/59/33/211255933.db2.gz VSUSUSHIUYPNQP-UHFFFAOYSA-N 2 2 358.530 3.573 40 0 FHABLP COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000019364691 211218574 /nfs/dbraw/zinc/21/85/74/211218574.db2.gz XZCBNFPCVYRZNI-IERDGZPVSA-N 2 2 368.525 3.508 40 0 FHABLP [NH3+][C@H](CCCCCC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000017174914 211181104 /nfs/dbraw/zinc/18/11/04/211181104.db2.gz JNYOLDUBIHISNF-BGYRXZFFSA-N 2 2 352.478 3.747 40 0 FHABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)s1 ZINC000096062396 222009569 /nfs/dbraw/zinc/00/95/69/222009569.db2.gz ULTZJBZJPLZPAG-IBGZPJMESA-N 2 2 362.564 3.843 40 0 FHABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)s1 ZINC000096062396 222009571 /nfs/dbraw/zinc/00/95/71/222009571.db2.gz ULTZJBZJPLZPAG-IBGZPJMESA-N 2 2 362.564 3.843 40 0 FHABLP Cc1ccc(C[NH+]2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)s1 ZINC000096062396 222009573 /nfs/dbraw/zinc/00/95/73/222009573.db2.gz ULTZJBZJPLZPAG-IBGZPJMESA-N 2 2 362.564 3.843 40 0 FHABLP Cc1ccc(C[NH+]2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)s1 ZINC000096062396 222009576 /nfs/dbraw/zinc/00/95/76/222009576.db2.gz ULTZJBZJPLZPAG-IBGZPJMESA-N 2 2 362.564 3.843 40 0 FHABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccc4ccccc4n3)CC2)[N@@H+]1C ZINC000096209197 222078882 /nfs/dbraw/zinc/07/88/82/222078882.db2.gz BXIAGOPCYVHJNQ-HXUWFJFHSA-N 2 2 353.510 3.700 40 0 FHABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccc4ccccc4n3)CC2)[N@H+]1C ZINC000096209197 222078883 /nfs/dbraw/zinc/07/88/83/222078883.db2.gz BXIAGOPCYVHJNQ-HXUWFJFHSA-N 2 2 353.510 3.700 40 0 FHABLP Cc1[nH+]c2cc(F)ccc2n1C1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000004618642 570597612 /nfs/dbraw/zinc/59/76/12/570597612.db2.gz OHYKWCWNAGXDMJ-UHFFFAOYSA-N 2 2 366.440 3.759 40 0 FHABLP Cc1cc2[nH]c(C3CC[NH+](CC(=O)N4CCC[C@H](C)C4)CC3)[nH+]c2cc1C ZINC000035292237 570638382 /nfs/dbraw/zinc/63/83/82/570638382.db2.gz JGZMVDRENKPYBT-HNNXBMFYSA-N 2 2 368.525 3.618 40 0 FHABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350559 571181790 /nfs/dbraw/zinc/18/17/90/571181790.db2.gz XQBQJKHNSNICIS-GOSISDBHSA-N 2 2 362.481 3.560 40 0 FHABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350559 571181791 /nfs/dbraw/zinc/18/17/91/571181791.db2.gz XQBQJKHNSNICIS-GOSISDBHSA-N 2 2 362.481 3.560 40 0 FHABLP Cc1cccc(Nc2ccc(C3CC[NH+](Cc4ccnn4C)CC3)nc2)[nH+]1 ZINC000072374255 571185368 /nfs/dbraw/zinc/18/53/68/571185368.db2.gz XVMUXSJOOBDHFY-UHFFFAOYSA-N 2 2 362.481 3.642 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072378651 571186939 /nfs/dbraw/zinc/18/69/39/571186939.db2.gz KYHPDROFQFDTAP-SFHVURJKSA-N 2 2 351.429 3.701 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072378651 571186940 /nfs/dbraw/zinc/18/69/40/571186940.db2.gz KYHPDROFQFDTAP-SFHVURJKSA-N 2 2 351.429 3.701 40 0 FHABLP Cc1cccc(C[N@H+]2Cc3cccn3C[C@@H](CCNc3cccc[nH+]3)C2)n1 ZINC000585095541 571220295 /nfs/dbraw/zinc/22/02/95/571220295.db2.gz VVJLVDKMOAPTJK-IBGZPJMESA-N 2 2 361.493 3.721 40 0 FHABLP Cc1cccc(C[N@@H+]2Cc3cccn3C[C@@H](CCNc3cccc[nH+]3)C2)n1 ZINC000585095541 571220298 /nfs/dbraw/zinc/22/02/98/571220298.db2.gz VVJLVDKMOAPTJK-IBGZPJMESA-N 2 2 361.493 3.721 40 0 FHABLP COc1ccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)cc1 ZINC000306134159 210054110 /nfs/dbraw/zinc/05/41/10/210054110.db2.gz NEULACFYEOXMDG-VQTJNVASSA-N 2 2 359.473 3.863 40 0 FHABLP COc1ccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)cc1 ZINC000306134159 210054116 /nfs/dbraw/zinc/05/41/16/210054116.db2.gz NEULACFYEOXMDG-VQTJNVASSA-N 2 2 359.473 3.863 40 0 FHABLP COc1cc(C)ccc1C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019134054 211203978 /nfs/dbraw/zinc/20/39/78/211203978.db2.gz NXHWDADDGXBMCK-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP COc1cc(C)ccc1C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019134054 211203982 /nfs/dbraw/zinc/20/39/82/211203982.db2.gz NXHWDADDGXBMCK-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP COc1cc(C)ccc1C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019134054 211203964 /nfs/dbraw/zinc/20/39/64/211203964.db2.gz NXHWDADDGXBMCK-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP COc1cc(C)ccc1C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019134054 211203970 /nfs/dbraw/zinc/20/39/70/211203970.db2.gz NXHWDADDGXBMCK-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP Cc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1C ZINC000019214008 211205722 /nfs/dbraw/zinc/20/57/22/211205722.db2.gz QPNNPQDJJLPFTO-OAQYLSRUSA-N 2 2 350.510 3.809 40 0 FHABLP Cc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1C ZINC000019214008 211205725 /nfs/dbraw/zinc/20/57/25/211205725.db2.gz QPNNPQDJJLPFTO-OAQYLSRUSA-N 2 2 350.510 3.809 40 0 FHABLP Cc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc1C ZINC000019214008 211205731 /nfs/dbraw/zinc/20/57/31/211205731.db2.gz QPNNPQDJJLPFTO-OAQYLSRUSA-N 2 2 350.510 3.809 40 0 FHABLP Cc1ccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc1C ZINC000019214008 211205737 /nfs/dbraw/zinc/20/57/37/211205737.db2.gz QPNNPQDJJLPFTO-OAQYLSRUSA-N 2 2 350.510 3.809 40 0 FHABLP Cc1cc2[nH]c(C3CC[NH+](CC(=O)NC4CCCCC4)CC3)[nH+]c2cc1C ZINC000035292235 570638461 /nfs/dbraw/zinc/63/84/61/570638461.db2.gz SZDHTULTPOQJAR-UHFFFAOYSA-N 2 2 368.525 3.808 40 0 FHABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc(C(C)C)nc2)o1 ZINC000043277767 571100063 /nfs/dbraw/zinc/10/00/63/571100063.db2.gz VZKVIUUTJXBKOW-UHFFFAOYSA-N 2 2 353.470 3.790 40 0 FHABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc(C(C)C)nc2)o1 ZINC000043277767 571100066 /nfs/dbraw/zinc/10/00/66/571100066.db2.gz VZKVIUUTJXBKOW-UHFFFAOYSA-N 2 2 353.470 3.790 40 0 FHABLP Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](C[N@@H+](C)Cc2cccnc2)CO3)s1 ZINC000585105340 571223777 /nfs/dbraw/zinc/22/37/77/571223777.db2.gz UKDQCYOGZVLIJH-IBGZPJMESA-N 2 2 371.550 3.565 40 0 FHABLP Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](C[N@H+](C)Cc2cccnc2)CO3)s1 ZINC000585105340 571223778 /nfs/dbraw/zinc/22/37/78/571223778.db2.gz UKDQCYOGZVLIJH-IBGZPJMESA-N 2 2 371.550 3.565 40 0 FHABLP CC[NH2+][C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703846 571304422 /nfs/dbraw/zinc/30/44/22/571304422.db2.gz URGJQFNJWCHLDZ-FQEVSTJZSA-N 2 2 352.526 3.818 40 0 FHABLP CC[NH+](CC)C1CC[NH+](Cc2cn(C)c3cc(OC)cc(OC)c23)CC1 ZINC000019715820 211249950 /nfs/dbraw/zinc/24/99/50/211249950.db2.gz KAFXVCPRVRPBSF-UHFFFAOYSA-N 2 2 359.514 3.502 40 0 FHABLP C(/C=C\[NH+]1CCN(c2ccccc2)CC1)=C/[NH+]1CCN(c2ccccc2)CC1 ZINC000031667145 571055179 /nfs/dbraw/zinc/05/51/79/571055179.db2.gz MHXRSOOLNSFARD-PVRNWPCDSA-N 2 2 374.532 3.658 40 0 FHABLP c1cc2cc(C[N@@H+]3CCC[C@H](c4cncc(-n5cc[nH+]c5)n4)C3)ccc2[nH]1 ZINC000585169383 571237276 /nfs/dbraw/zinc/23/72/76/571237276.db2.gz JCBRASZYTZHKHC-SFHVURJKSA-N 2 2 358.449 3.523 40 0 FHABLP c1cc2cc(C[N@H+]3CCC[C@H](c4cncc(-n5cc[nH+]c5)n4)C3)ccc2[nH]1 ZINC000585169383 571237277 /nfs/dbraw/zinc/23/72/77/571237277.db2.gz JCBRASZYTZHKHC-SFHVURJKSA-N 2 2 358.449 3.523 40 0 FHABLP [NH3+][C@H](c1ccc(Br)cc1)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000022467046 211352794 /nfs/dbraw/zinc/35/27/94/211352794.db2.gz XURRKKYAGFWNPT-OKILXGFUSA-N 2 2 370.088 3.911 40 0 FHABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(NC(C)=O)cc4)C3)[nH+]c2c1 ZINC000035446806 560079273 /nfs/dbraw/zinc/07/92/73/560079273.db2.gz LJEMNKUVXMULAN-INIZCTEOSA-N 2 2 364.449 3.519 40 0 biogenic,in-vitro FHABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)[nH+]c2c1 ZINC000035446806 560079274 /nfs/dbraw/zinc/07/92/74/560079274.db2.gz LJEMNKUVXMULAN-INIZCTEOSA-N 2 2 364.449 3.519 40 0 biogenic,in-vitro FHABLP Cc1cc2[nH]c(C3CC[NH+](CC(=O)N4CCCCCC4)CC3)[nH+]c2cc1C ZINC000035292241 570638412 /nfs/dbraw/zinc/63/84/12/570638412.db2.gz YBGOKSIFOGZCJC-UHFFFAOYSA-N 2 2 368.525 3.762 40 0 FHABLP Cn1cc(C[N@H+](Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740464 571081387 /nfs/dbraw/zinc/08/13/87/571081387.db2.gz CJLIABYHEIWLNV-UHFFFAOYSA-N 2 2 358.505 3.871 40 0 FHABLP Cn1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740464 571081389 /nfs/dbraw/zinc/08/13/89/571081389.db2.gz CJLIABYHEIWLNV-UHFFFAOYSA-N 2 2 358.505 3.871 40 0 FHABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350649 571182050 /nfs/dbraw/zinc/18/20/50/571182050.db2.gz DBUNONFUUDPDFZ-FQEVSTJZSA-N 2 2 361.493 3.783 40 0 FHABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072350649 571182053 /nfs/dbraw/zinc/18/20/53/571182053.db2.gz DBUNONFUUDPDFZ-FQEVSTJZSA-N 2 2 361.493 3.783 40 0 FHABLP Cc1cccc(Nc2ccc(C3CC[NH+](Cc4cnn(C)c4)CC3)nc2)[nH+]1 ZINC000072374250 571185389 /nfs/dbraw/zinc/18/53/89/571185389.db2.gz DVSRZWFJCJTOLQ-UHFFFAOYSA-N 2 2 362.481 3.642 40 0 FHABLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1nnnn1-c1c(C)cccc1C)C(C)C ZINC000255188779 571321071 /nfs/dbraw/zinc/32/10/71/571321071.db2.gz LOMZMUNJURXOMN-OALUTQOASA-N 2 2 372.561 3.686 40 0 FHABLP CCc1[nH+]ccn1-c1cc[nH+]c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000257302824 529759540 /nfs/dbraw/zinc/75/95/40/529759540.db2.gz SEQJYHHNCFODLO-HNNXBMFYSA-N 2 2 356.470 3.944 40 0 FHABLP C[NH+]1CCC([NH+]2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1 ZINC000257288726 530049886 /nfs/dbraw/zinc/04/98/86/530049886.db2.gz PVIISNCRJLTDMH-UHFFFAOYSA-N 2 2 371.500 3.852 40 0 FHABLP C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](CCCc1ccccc1)C2 ZINC000019588984 220279255 /nfs/dbraw/zinc/27/92/55/220279255.db2.gz MZXITCUZGLDICB-OAQYLSRUSA-N 2 2 350.510 3.624 40 0 FHABLP C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](CCCc1ccccc1)C2 ZINC000019588984 220279260 /nfs/dbraw/zinc/27/92/60/220279260.db2.gz MZXITCUZGLDICB-OAQYLSRUSA-N 2 2 350.510 3.624 40 0 FHABLP C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000019588984 220279263 /nfs/dbraw/zinc/27/92/63/220279263.db2.gz MZXITCUZGLDICB-OAQYLSRUSA-N 2 2 350.510 3.624 40 0 FHABLP C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](CCCc1ccccc1)C2 ZINC000019588984 220279269 /nfs/dbraw/zinc/27/92/69/220279269.db2.gz MZXITCUZGLDICB-OAQYLSRUSA-N 2 2 350.510 3.624 40 0 FHABLP Cc1nc(N)cc(CC2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)[nH+]1 ZINC000019758803 220294861 /nfs/dbraw/zinc/29/48/61/220294861.db2.gz PIPJORYISVVRAD-UHFFFAOYSA-N 2 2 373.504 3.884 40 0 FHABLP CC(C)(C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)[nH+]1 ZINC000329051469 526336457 /nfs/dbraw/zinc/33/64/57/526336457.db2.gz UXVIZPWCLAVDCX-UHFFFAOYSA-N 2 2 353.514 3.578 40 0 FHABLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)cc1 ZINC000096046951 570472990 /nfs/dbraw/zinc/47/29/90/570472990.db2.gz NJAOWTPPKYPKKH-QFIPXVFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)cc1 ZINC000096046951 570472994 /nfs/dbraw/zinc/47/29/94/570472994.db2.gz NJAOWTPPKYPKKH-QFIPXVFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)cc1 ZINC000096046951 570472996 /nfs/dbraw/zinc/47/29/96/570472996.db2.gz NJAOWTPPKYPKKH-QFIPXVFZSA-N 2 2 351.494 3.578 40 0 FHABLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cc1 ZINC000096046951 570472998 /nfs/dbraw/zinc/47/29/98/570472998.db2.gz NJAOWTPPKYPKKH-QFIPXVFZSA-N 2 2 351.494 3.578 40 0 FHABLP C[NH+](C)CCCNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221340 570728959 /nfs/dbraw/zinc/72/89/59/570728959.db2.gz ZXLKJRJEWGOGKV-UHFFFAOYSA-N 2 2 356.861 3.551 40 0 FHABLP Cc1ccc2[nH+]c(C)cc(NCCNC(=S)Nc3cc[nH+]cc3)c2c1 ZINC000225217704 571022584 /nfs/dbraw/zinc/02/25/84/571022584.db2.gz CWQGVXSAMWWGTD-UHFFFAOYSA-N 2 2 351.479 3.645 40 0 FHABLP Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)cnn1C ZINC000072353080 571182028 /nfs/dbraw/zinc/18/20/28/571182028.db2.gz NWWJANNLCYBHJW-FQEVSTJZSA-N 2 2 362.481 3.908 40 0 FHABLP Cc1c(C[N@H+]2CCC[C@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)cnn1C ZINC000072353080 571182030 /nfs/dbraw/zinc/18/20/30/571182030.db2.gz NWWJANNLCYBHJW-FQEVSTJZSA-N 2 2 362.481 3.908 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072355445 571182337 /nfs/dbraw/zinc/18/23/37/571182337.db2.gz CETDDNMVAWAZNZ-QGZVFWFLSA-N 2 2 365.456 3.743 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072355445 571182341 /nfs/dbraw/zinc/18/23/41/571182341.db2.gz CETDDNMVAWAZNZ-QGZVFWFLSA-N 2 2 365.456 3.743 40 0 FHABLP CC[NH+](CC)C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C1 ZINC000019526357 220268553 /nfs/dbraw/zinc/26/85/53/220268553.db2.gz FOKXDCIFGHLSLW-SFHVURJKSA-N 2 2 368.525 3.706 40 0 FHABLP CC[NH+](CC)C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C1 ZINC000019526357 220268556 /nfs/dbraw/zinc/26/85/56/220268556.db2.gz FOKXDCIFGHLSLW-SFHVURJKSA-N 2 2 368.525 3.706 40 0 FHABLP C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](CCCc1ccccc1)C2 ZINC000019588986 220278336 /nfs/dbraw/zinc/27/83/36/220278336.db2.gz MZXITCUZGLDICB-NRFANRHFSA-N 2 2 350.510 3.624 40 0 FHABLP C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](CCCc1ccccc1)C2 ZINC000019588986 220278342 /nfs/dbraw/zinc/27/83/42/220278342.db2.gz MZXITCUZGLDICB-NRFANRHFSA-N 2 2 350.510 3.624 40 0 FHABLP C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000019588986 220278345 /nfs/dbraw/zinc/27/83/45/220278345.db2.gz MZXITCUZGLDICB-NRFANRHFSA-N 2 2 350.510 3.624 40 0 FHABLP C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](CCCc1ccccc1)C2 ZINC000019588986 220278349 /nfs/dbraw/zinc/27/83/49/220278349.db2.gz MZXITCUZGLDICB-NRFANRHFSA-N 2 2 350.510 3.624 40 0 FHABLP COc1ccc2c(c1)OCC(c1c[nH+]cn1CCC[NH+]1CCCCC1)=C2 ZINC000019719407 220292097 /nfs/dbraw/zinc/29/20/97/220292097.db2.gz OAPWWKJWLSNJRP-UHFFFAOYSA-N 2 2 353.466 3.701 40 0 FHABLP Cc1ncc(C[NH+]2CCC(Cc3cc(N4CCCC4)nc(C)[nH+]3)CC2)s1 ZINC000019752150 571304874 /nfs/dbraw/zinc/30/48/74/571304874.db2.gz OFFRTIAZMMLSDR-UHFFFAOYSA-N 2 2 371.554 3.605 40 0 FHABLP COc1c(C)cccc1C[N@@H+]1CCc2nc([C@@H]3CCCC[NH+]3C)ncc2C1 ZINC000019235999 220243745 /nfs/dbraw/zinc/24/37/45/220243745.db2.gz NWHOCCVNLVZFHN-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[N@H+]1CCc2nc([C@@H]3CCCC[NH+]3C)ncc2C1 ZINC000019235999 220243750 /nfs/dbraw/zinc/24/37/50/220243750.db2.gz NWHOCCVNLVZFHN-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[NH+]1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019235999 220243752 /nfs/dbraw/zinc/24/37/52/220243752.db2.gz NWHOCCVNLVZFHN-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[NH+]1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019235999 220243755 /nfs/dbraw/zinc/24/37/55/220243755.db2.gz NWHOCCVNLVZFHN-FQEVSTJZSA-N 2 2 366.509 3.509 40 0 FHABLP COc1cc2cccnc2c(N[C@@H](C)CCC[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000019364692 220253748 /nfs/dbraw/zinc/25/37/48/220253748.db2.gz XZCBNFPCVYRZNI-HRAATJIYSA-N 2 2 368.525 3.508 40 0 FHABLP COc1ccc(CN(Cc2c[nH+]cn2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019461009 220259855 /nfs/dbraw/zinc/25/98/55/220259855.db2.gz CAKFBVYHRQSLEY-UHFFFAOYSA-N 2 2 370.541 3.740 40 0 FHABLP Cc1cccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096239610 222095119 /nfs/dbraw/zinc/09/51/19/222095119.db2.gz FATVPHHEOZMEKI-LJQANCHMSA-N 2 2 358.436 3.523 40 0 FHABLP Cc1cccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096239610 222095122 /nfs/dbraw/zinc/09/51/22/222095122.db2.gz FATVPHHEOZMEKI-LJQANCHMSA-N 2 2 358.436 3.523 40 0 FHABLP Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc[nH+]1 ZINC000072357462 570542629 /nfs/dbraw/zinc/54/26/29/570542629.db2.gz QMCXMSTYYGFBRX-LJQANCHMSA-N 2 2 361.493 3.866 40 0 FHABLP Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc[nH+]1 ZINC000072357462 570542630 /nfs/dbraw/zinc/54/26/30/570542630.db2.gz QMCXMSTYYGFBRX-LJQANCHMSA-N 2 2 361.493 3.866 40 0 FHABLP CNc1cc(CC2CC[NH+](Cc3cccc4ncccc34)CC2)[nH+]c(C)n1 ZINC000019758898 571304789 /nfs/dbraw/zinc/30/47/89/571304789.db2.gz JPKPJZBVUKJKBC-UHFFFAOYSA-N 2 2 361.493 3.830 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccs4)C[C@H]2C3)cc1 ZINC000306135171 223110308 /nfs/dbraw/zinc/11/03/08/223110308.db2.gz OJSVPQZBCAVOEE-SJORKVTESA-N 2 2 365.502 3.925 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccs4)C[C@H]2C3)cc1 ZINC000306135171 223110311 /nfs/dbraw/zinc/11/03/11/223110311.db2.gz OJSVPQZBCAVOEE-SJORKVTESA-N 2 2 365.502 3.925 40 0 FHABLP COc1c(C)cccc1C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019235984 220243141 /nfs/dbraw/zinc/24/31/41/220243141.db2.gz PLHKEGCMEHVSMV-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019235984 220243145 /nfs/dbraw/zinc/24/31/45/220243145.db2.gz PLHKEGCMEHVSMV-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019235984 220243146 /nfs/dbraw/zinc/24/31/46/220243146.db2.gz PLHKEGCMEHVSMV-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP COc1c(C)cccc1C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019235984 220243154 /nfs/dbraw/zinc/24/31/54/220243154.db2.gz PLHKEGCMEHVSMV-HXUWFJFHSA-N 2 2 366.509 3.509 40 0 FHABLP Cc1cc2[nH]c(C3CC[NH+](CC(=O)N4CCC[C@@H](C)C4)CC3)[nH+]c2cc1C ZINC000035292239 570638358 /nfs/dbraw/zinc/63/83/58/570638358.db2.gz JGZMVDRENKPYBT-OAHLLOKOSA-N 2 2 368.525 3.618 40 0 FHABLP C(/C=C/[NH+]1CCN(c2ccccc2)CC1)=C\[NH+]1CCN(c2ccccc2)CC1 ZINC000017721325 570873674 /nfs/dbraw/zinc/87/36/74/570873674.db2.gz MHXRSOOLNSFARD-FNCQTZNRSA-N 2 2 374.532 3.658 40 0 FHABLP CCn1nc(C)c(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)c1C ZINC000043277721 571100199 /nfs/dbraw/zinc/10/01/99/571100199.db2.gz GYAOCHAUMZTYDQ-UHFFFAOYSA-N 2 2 369.488 3.948 40 0 FHABLP CCn1nc(C)c(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)c1C ZINC000043277721 571100201 /nfs/dbraw/zinc/10/02/01/571100201.db2.gz GYAOCHAUMZTYDQ-UHFFFAOYSA-N 2 2 369.488 3.948 40 0 FHABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350544 571181735 /nfs/dbraw/zinc/18/17/35/571181735.db2.gz CZRIIIKNHOJOKC-LJQANCHMSA-N 2 2 361.493 3.647 40 0 FHABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350544 571181736 /nfs/dbraw/zinc/18/17/36/571181736.db2.gz CZRIIIKNHOJOKC-LJQANCHMSA-N 2 2 361.493 3.647 40 0 FHABLP Cc1ccc[nH+]c1Nc1ccc(C2CC[NH+](Cc3ccnn3C)CC2)nc1 ZINC000072374256 571185446 /nfs/dbraw/zinc/18/54/46/571185446.db2.gz PARJNHCPEFDROU-UHFFFAOYSA-N 2 2 362.481 3.642 40 0 FHABLP Cc1ncsc1C[N@H+]1Cc2cccn2C[C@H](CCNc2cccc[nH+]2)C1 ZINC000585095064 571219658 /nfs/dbraw/zinc/21/96/58/571219658.db2.gz CKCAUVRHKAUTPM-QGZVFWFLSA-N 2 2 367.522 3.782 40 0 FHABLP Cc1ncsc1C[N@@H+]1Cc2cccn2C[C@H](CCNc2cccc[nH+]2)C1 ZINC000585095064 571219660 /nfs/dbraw/zinc/21/96/60/571219660.db2.gz CKCAUVRHKAUTPM-QGZVFWFLSA-N 2 2 367.522 3.782 40 0 FHABLP Cc1cccc(C[N@H+]2Cc3cccn3C[C@H](CCNc3cccc[nH+]3)C2)n1 ZINC000585095542 571220358 /nfs/dbraw/zinc/22/03/58/571220358.db2.gz VVJLVDKMOAPTJK-LJQANCHMSA-N 2 2 361.493 3.721 40 0 FHABLP Cc1cccc(C[N@@H+]2Cc3cccn3C[C@H](CCNc3cccc[nH+]3)C2)n1 ZINC000585095542 571220361 /nfs/dbraw/zinc/22/03/61/571220361.db2.gz VVJLVDKMOAPTJK-LJQANCHMSA-N 2 2 361.493 3.721 40 0 FHABLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC(NC(=O)OC(C)C)C4)CC3)n2c1 ZINC000585102715 571222985 /nfs/dbraw/zinc/22/29/85/571222985.db2.gz BNUKNIXWJWBEBW-UHFFFAOYSA-N 2 2 370.497 3.522 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccs4)C[C@H]2C3)cc1 ZINC000306135169 223109443 /nfs/dbraw/zinc/10/94/43/223109443.db2.gz OJSVPQZBCAVOEE-IAGOWNOFSA-N 2 2 365.502 3.925 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccs4)C[C@H]2C3)cc1 ZINC000306135169 223109445 /nfs/dbraw/zinc/10/94/45/223109445.db2.gz OJSVPQZBCAVOEE-IAGOWNOFSA-N 2 2 365.502 3.925 40 0 FHABLP CCc1[nH+]ccn1C[C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)C)n2C ZINC000019523596 220265788 /nfs/dbraw/zinc/26/57/88/220265788.db2.gz WIUCKFQIWWKACU-AWEZNQCLSA-N 2 2 353.470 3.730 40 0 FHABLP Cc1[nH]c2ccc(CC[NH+]3CCN(c4ccccc4Cl)CC3)cc2[nH+]1 ZINC000001678353 132382332 /nfs/dbraw/zinc/38/23/32/132382332.db2.gz KNLJAZCXOSPAHW-UHFFFAOYSA-N 2 2 354.885 3.889 40 0 FHABLP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccc(Cl)cc1 ZINC000008373897 570680776 /nfs/dbraw/zinc/68/07/76/570680776.db2.gz DDCXDEYPXCMCHX-UHFFFAOYSA-N 2 2 362.901 3.969 40 0 FHABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C)n1 ZINC000036740331 571081586 /nfs/dbraw/zinc/08/15/86/571081586.db2.gz QCYJCGWFCNYFPC-UHFFFAOYSA-N 2 2 350.466 3.688 40 0 FHABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C)n1 ZINC000036740331 571081590 /nfs/dbraw/zinc/08/15/90/571081590.db2.gz QCYJCGWFCNYFPC-UHFFFAOYSA-N 2 2 350.466 3.688 40 0 FHABLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044932685 571104746 /nfs/dbraw/zinc/10/47/46/571104746.db2.gz ZGDIOQABFYRBIE-UHFFFAOYSA-N 2 2 374.488 3.788 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000072378690 571187248 /nfs/dbraw/zinc/18/72/48/571187248.db2.gz MIQRYWJIZQTPTN-LJQANCHMSA-N 2 2 363.465 3.570 40 0 FHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccc(OC)cc2)n1 ZINC000072378690 571187251 /nfs/dbraw/zinc/18/72/51/571187251.db2.gz MIQRYWJIZQTPTN-LJQANCHMSA-N 2 2 363.465 3.570 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306144880 223114616 /nfs/dbraw/zinc/11/46/16/223114616.db2.gz ZRJCNLGZPILAHR-MOPGFXCFSA-N 2 2 374.488 3.566 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306144880 223114619 /nfs/dbraw/zinc/11/46/19/223114619.db2.gz ZRJCNLGZPILAHR-MOPGFXCFSA-N 2 2 374.488 3.566 40 0 FHABLP COc1cc2cccnc2c(N[C@@H](C)CCC[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000019364689 220253574 /nfs/dbraw/zinc/25/35/74/220253574.db2.gz XZCBNFPCVYRZNI-KKSFZXQISA-N 2 2 368.525 3.508 40 0 FHABLP Cc1cc(CC2CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC2)cc[nH+]1 ZINC000257207430 534155266 /nfs/dbraw/zinc/15/52/66/534155266.db2.gz BHSBHEIMKJIJTP-UHFFFAOYSA-N 2 2 354.498 3.581 40 0 FHABLP CCc1ncc(C[N@@H+]2CCCCC[C@H]3[NH2+]C[C@@H](c4ccccc4)[C@@H]32)cn1 ZINC000019523421 220266904 /nfs/dbraw/zinc/26/69/04/220266904.db2.gz DRDNVVWEPYRUMD-VWPQPMDRSA-N 2 2 350.510 3.539 40 0 FHABLP CCc1ncc(C[N@H+]2CCCCC[C@H]3[NH2+]C[C@@H](c4ccccc4)[C@@H]32)cn1 ZINC000019523421 220266910 /nfs/dbraw/zinc/26/69/10/220266910.db2.gz DRDNVVWEPYRUMD-VWPQPMDRSA-N 2 2 350.510 3.539 40 0 FHABLP Cn1c(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)nc2ccccc21 ZINC000036753023 571081883 /nfs/dbraw/zinc/08/18/83/571081883.db2.gz PJSVDKMZZISKCI-MRXNPFEDSA-N 2 2 359.477 3.904 40 0 FHABLP Cn1c(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)nc2ccccc21 ZINC000036753023 571081885 /nfs/dbraw/zinc/08/18/85/571081885.db2.gz PJSVDKMZZISKCI-MRXNPFEDSA-N 2 2 359.477 3.904 40 0 FHABLP Cc1[nH+]cc(-c2cccc(C3CC[NH+](Cc4cscn4)CC3)n2)n1C ZINC000257299437 223056987 /nfs/dbraw/zinc/05/69/87/223056987.db2.gz RQBOQKQXZWYMSD-UHFFFAOYSA-N 2 2 353.495 3.627 40 0 FHABLP Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccc(F)cc1)CC21CC[NH+](C)CC1 ZINC000306132065 223108469 /nfs/dbraw/zinc/10/84/69/223108469.db2.gz KWYZOYOFLXSRKP-UHFFFAOYSA-N 2 2 370.516 3.891 40 0 FHABLP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccc(F)cc1)CC21CC[NH+](C)CC1 ZINC000306132065 223108470 /nfs/dbraw/zinc/10/84/70/223108470.db2.gz KWYZOYOFLXSRKP-UHFFFAOYSA-N 2 2 370.516 3.891 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ccccc21 ZINC000306133674 223109565 /nfs/dbraw/zinc/10/95/65/223109565.db2.gz MSMZEESRXCHWMF-NRFANRHFSA-N 2 2 365.452 3.816 40 0 FHABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ccccc21 ZINC000306133674 223109569 /nfs/dbraw/zinc/10/95/69/223109569.db2.gz MSMZEESRXCHWMF-NRFANRHFSA-N 2 2 365.452 3.816 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ccccc21 ZINC000306133675 223110617 /nfs/dbraw/zinc/11/06/17/223110617.db2.gz MSMZEESRXCHWMF-OAQYLSRUSA-N 2 2 365.452 3.816 40 0 FHABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ccccc21 ZINC000306133675 223110620 /nfs/dbraw/zinc/11/06/20/223110620.db2.gz MSMZEESRXCHWMF-OAQYLSRUSA-N 2 2 365.452 3.816 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccsc4)C[C@H]2C3)cc1 ZINC000306138484 223111067 /nfs/dbraw/zinc/11/10/67/223111067.db2.gz RYSZQEBCAVUKDB-MSOLQXFVSA-N 2 2 365.502 3.925 40 0 FHABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccsc4)C[C@H]2C3)cc1 ZINC000306138484 223111069 /nfs/dbraw/zinc/11/10/69/223111069.db2.gz RYSZQEBCAVUKDB-MSOLQXFVSA-N 2 2 365.502 3.925 40 0 FHABLP CC1CC[NH+](CC(C)(C)C[NH+]2CCC(O)(c3ccccc3F)CC2)CC1 ZINC000057823232 221094352 /nfs/dbraw/zinc/09/43/52/221094352.db2.gz RTTGTXOAKJTYPP-UHFFFAOYSA-N 2 2 362.533 3.867 40 0 FHABLP COc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)cc1C[NH+]1CCOCC1 ZINC000012241056 570730553 /nfs/dbraw/zinc/73/05/53/570730553.db2.gz GXNNYJUIGJTLDU-INIZCTEOSA-N 2 2 372.534 3.708 40 0 FHABLP COc1ccc(C[N@H+]2CCc3sccc3[C@@H]2C)cc1C[NH+]1CCOCC1 ZINC000012241056 570730554 /nfs/dbraw/zinc/73/05/54/570730554.db2.gz GXNNYJUIGJTLDU-INIZCTEOSA-N 2 2 372.534 3.708 40 0 FHABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc3c(cc2C)OCO3)o1 ZINC000036740284 571081369 /nfs/dbraw/zinc/08/13/69/571081369.db2.gz ZCMSWWYIQISJNL-UHFFFAOYSA-N 2 2 367.449 3.914 40 0 FHABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc3c(cc2C)OCO3)o1 ZINC000036740284 571081371 /nfs/dbraw/zinc/08/13/71/571081371.db2.gz ZCMSWWYIQISJNL-UHFFFAOYSA-N 2 2 367.449 3.914 40 0 FHABLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1nnnn1-c1c(C)cccc1C)C(C)C ZINC000255188778 571321064 /nfs/dbraw/zinc/32/10/64/571321064.db2.gz LOMZMUNJURXOMN-MOPGFXCFSA-N 2 2 372.561 3.686 40 0 FHABLP